Z4YMW4_MOUSE Loading...

Nuclear receptor subfamily 6, group A, member 1

AlphaFold DB , UniProt , Accession Z4YMW4, Species MOUSE (Mus musculus, Mouse), Gene Nr6a1, Length 235 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	41.2	Very low	50.4	Low	239 Å²	239	146.8 Å²	146.8	100%	1.177	77%	0.774	S	S	*	*				0	84.1	0	-72	170.7	-178.7	0	0	106.4
2	E	40.3	Very low	50.9	Low	180 Å²	180	151.3 Å²	151.3	84%	0.841	77%	0.772	S	S	*	*			trans	-100.4	107.4	173.1	-72.1	177.5	137.5	0	0	105.8	W4	E2-W4 PolarHBondContact O-N 3.28Å; E2-W4 PolarHBondContact O-NE1 3.36Å
3	T	42.7	Very low	51	Low	128 Å²	128	146.6 Å²	146.6	79%	0.785	77%	0.77	S	S	*	*			trans	-81.9	103.2	172	47.7	0	0	0	0	107.1	E5	T3-E5 PolarHBondContact O-N 2.84Å; T3-E5 VanDerWaalsContact O-N 3.1Å
4	W	54.4	Low	51.4	Low	222 Å²	222	145.4 Å²	145.4	84%	0.841	76%	0.759	S	S	*	*			trans	-71.9	101.5	169.3	18	-57.3	0	0	0	105.2	E2 V6	E2-W4 PolarHBondContact O-N 3.28Å; E2-W4 PolarHBondContact O-NE1 3.36Å; W4-V6 VanDerWaalsContact C-N 3.27Å; W4-V6 HydrophobicContact CE3-CG2 4.33Å; W4-V6 PolarHBondContact O-N 3.34Å
5	E	49.6	Very low	52.4	Low	181 Å²	181	145.1 Å²	145.1	85%	0.846	75%	0.752	S	S	*	*			trans	-60.8	97.4	166.3	-71.8	-171.9	132	0	0	107.4	T3 S7	T3-E5 PolarHBondContact O-N 2.84Å; T3-E5 VanDerWaalsContact O-N 3.1Å; E5-S7 VanDerWaalsContact C-N 3.28Å; E5-S7 PolarHBondContact O-N 3.13Å
6	V	55.8	Low	54.6	Low	109 Å²	109	145.3 Å²	145.3	66%	0.661	74%	0.74	S	S	*	*			trans	-61.4	98.5	166.5	178.3	0	0	0	0	106	W4 V8	W4-V6 VanDerWaalsContact C-N 3.27Å; W4-V6 HydrophobicContact CE3-CG2 4.33Å; W4-V6 PolarHBondContact O-N 3.34Å; V6-V8 HydrophobicContact CG1-CG2 4.41Å; V6-V8 PolarHBondContact O-N 2.99Å
7	S	54.8	Low	57.1	Low	109 Å²	109	141.4 Å²	141.4	76%	0.762	73%	0.725	S	S	*	*			trans	-68.4	90.1	167.4	6.5	0	0	0	0	106.1	E5 P9	E5-S7 VanDerWaalsContact C-N 3.28Å; E5-S7 PolarHBondContact O-N 3.13Å; S7-P9 WeakPolarHBondContact O-CD 3.37Å; S7-P9 VanDerWaalsContact O-N 3.13Å
8	V	56.8	Low	59.4	Low	120 Å²	120	133.7 Å²	133.7	73%	0.727	69%	0.686	S	S	*	*			trans	-57.9	115.1	170.1	-164.5	0	0	0	0	105.9	V6 D10	V6-V8 HydrophobicContact CG1-CG2 4.41Å; V6-V8 PolarHBondContact O-N 2.99Å; V8-D10 PolarHBondContact O-N 3.33Å
9	P	54.1	Low	61.4	Low	106 Å²	106	130.9 Å²	130.9	69%	0.688	67%	0.672	S	S	*	*			trans	-57.6	131.8	173.6	-18.6	31.3	0	0	0	107.6	S7 D11	S7-P9 WeakPolarHBondContact O-CD 3.37Å; S7-P9 VanDerWaalsContact O-N 3.13Å; P9-D11 PolarHBondContact O-N 2.92Å
10	D	52.3	Low	63.2	Low	117 Å²	117	124.4 Å²	124.4	63%	0.626	64%	0.638	S	S	*	*			trans	-64.4	82.7	170.1	179.4	47.2	0	0	0	108.5	V8 R12	V8-D10 PolarHBondContact O-N 3.33Å; D10-R12 PolarHBondContact O-N 3.43Å; D10-R12 VanDerWaalsContact OD1-CB 3.32Å; D10-R12 WeakPolarHBondContact OD1-CB 3.38Å; D10-R12 WeakPolarHBondContact OD1-CD 3.46Å; D10-R12 VanDerWaalsContact OD1-CG 3.29Å; D10-R12 WeakPolarHBondContact OD1-CG 3.21Å
11	D	51.8	Low	64.9	Low	104 Å²	104	118.7 Å²	118.7	56%	0.556	61%	0.609	S	S	*	*	G	3₁₀ helix	trans	-70.2	12.2	177.1	-134.2	-6.9	0	0	0	111.5	P9 A13 E14	P9-D11 PolarHBondContact O-N 2.92Å; D11-A13 PolarHBondContact O-N 3.2Å; D11-E14 HydrophobicContact CB-CG 4.49Å; D11-E14 WeakPolarHBondContact O-CB 3.36Å; D11-E14 WeakPolarHBondContact O-CG 3.5Å; D11-E14 PolarHBondContact O-N 2.9Å
12	R	56.4	Low	67.6	Low	201 Å²	201	109.7 Å²	109.7	76%	0.758	58%	0.578	S	S	*	*	G	3₁₀ helix	trans	-83	-0.6	179	-56.8	-176.5	65.5	-123	2.5	113.3	D10	D10-R12 PolarHBondContact O-N 3.43Å; D10-R12 VanDerWaalsContact OD1-CB 3.32Å; D10-R12 WeakPolarHBondContact OD1-CB 3.38Å; D10-R12 WeakPolarHBondContact OD1-CD 3.46Å; D10-R12 VanDerWaalsContact OD1-CG 3.29Å; D10-R12 WeakPolarHBondContact OD1-CG 3.21Å
13	A	52.4	Low	70.3	Confident	90 Å²	90	102 Å²	102	74%	0.744	54%	0.543	S	S	*	.	G	3₁₀ helix	trans	-84.7	7.5	159	0	0	0	0	0	112.6	D11 Q15	D11-A13 PolarHBondContact O-N 3.2Å; A13-Q15 PolarHBondContact O-N 2.95Å
14	E	56.9	Low	72.9	Confident	130 Å²	130	103.8 Å²	103.8	61%	0.607	54%	0.535	S	S	*	.			trans	-48.2	138	172.1	-99.9	175.9	142.5	0	0	111.8	D11 R16	D11-E14 HydrophobicContact CB-CG 4.49Å; D11-E14 WeakPolarHBondContact O-CB 3.36Å; D11-E14 WeakPolarHBondContact O-CG 3.5Å; D11-E14 PolarHBondContact O-N 2.9Å; E14-R16 VanDerWaalsContact C-N 3.35Å; E14-R16 PolarHBondContact O-N 3.34Å
15	Q	66.6	Low	74.9	Confident	141 Å²	141	93.9 Å²	93.9	66%	0.659	50%	0.5	S	S	*	.			trans	-55.5	89.2	-171	-160.8	152.7	37.4	0	0	111.8	A13 T17 R24	A13-Q15 PolarHBondContact O-N 2.95Å; Q15-T17 PolarHBondContact O-N 3.49Å; Q15-T17 PolarHBondContact O-OG1 3.31Å; Q15-R24 HydrophobicContact CG-CG 4.05Å; Q15-R24 VanDerWaalsContact NE2-CD 3.33Å
16	R	87.8	Confident	77.1	Confident	148 Å²	148	89.2 Å²	89.2	56%	0.558	48%	0.484	S	S	*	.	P	Polyproline II helix	trans	-52.5	128.7	-178.5	-63.9	-165.9	-175.2	97.3	6.5	109.7	E14 A25 I33	E14-R16 VanDerWaalsContact C-N 3.35Å; E14-R16 PolarHBondContact O-N 3.34Å; R16-A25 HydrophobicContact CB-CB 4.11Å; R16-A25 WeakPolarHBondContact O-CA 3.38Å; R16-A25 WeakPolarHBondContact O-CB 3.39Å; R16-A25 PolarHBondContact O-N 3.41Å; R16-I33 HydrophobicContact CB-CG2 3.84Å
17	T	96.4	Very high	78.8	Confident	79 Å²	79	84.9 Å²	84.9	49%	0.485	46%	0.462	S	S	.	.	B	Isolated β-bridge	trans	-100.6	140.9	-177.4	-68.5	0	0	0	0	110.5	Q15 L19 G22 I33	Q15-T17 PolarHBondContact O-N 3.49Å; Q15-T17 PolarHBondContact O-OG1 3.31Å; T17-L19 PolarHBondContact O-N 3.27Å; T17-G22 VanDerWaalsContact CG2-CA 3.47Å; T17-G22 WeakPolarHBondContact CG2-O 3.29Å; T17-I33 WeakPolarHBondContact O-CG2 3.26Å
18	C	97.9	Very high	80.7	Confident	3 Å²	3	84.4 Å²	84.4	2%	0.02	45%	0.45	C	S	.	.	P	Polyproline II helix	trans	-67.1	118.6	-179.5	174.6	0	0	0	0	110.6	I20 C21 G22 D23 C35	C18-I20 PolarHBondContact O-N 3.4Å; C18-C21 PolarHBondContact O-N 2.86Å; C18-G22 WeakPolarHBondContact O-CA 3.45Å; C18-G22 PolarHBondContact O-N 3.5Å; C18-D23 HydrophobicContact CB-CB 4.48Å; C18-D23 WeakPolarHBondContact CB-O 3.4Å; C18-D23 PolarHBondContact N-O 3.21Å; C18-C35 HydrophobicContact CB-CB 3.96Å; C18-C35 PolarHBondContact SG-N 2.88Å; C18-C35 VanDerWaalsContact SG-N 3.42Å; C18-C35 VanDerWaalsContact SG-SG 3.66Å
19	L	97.4	Very high	82.5	Confident	80 Å²	80	80 Å²	80	42%	0.419	42%	0.422	S	S	.	.	T	Hydrogen-bonded Turn	trans	-59.5	-20.1	-178.6	-63	-179.9	0	0	0	114.1	T17 I32 I33 K77 M81	T17-L19 PolarHBondContact O-N 3.27Å; L19-I32 HydrophobicContact CD1-CB 4.35Å; L19-I33 HydrophobicContact CD1-CB 4.46Å; L19-I33 HydrophobicContact CG-CB 4.4Å; L19-I33 PolarHBondContact N-O 3.34Å; L19-K77 WeakPolarHBondContact O-CE 3.38Å; L19-K77 PolarHBondContact O-NZ 2.77Å; L19-M81 HydrophobicContact CB-CE 4.08Å; L19-M81 HydrophobicContact CD1-CE 4.17Å
20	I	98.6	Very high	84.4	Confident	0 Å²	0	76.9 Å²	76.9	0%	0	40%	0.397	C	S	.	.	T	Hydrogen-bonded Turn	trans	-83.2	-51.7	-179.7	-49.7	-51.1	0	0	0	111.3	C18 I32 C38 M62 R74 K77 C78 M81 M83	C18-I20 PolarHBondContact O-N 3.4Å; I20-I32 HydrophobicContact CD1-CD1 3.75Å; I20-I32 HydrophobicContact CG1-CD1 4.27Å; I20-C38 HydrophobicContact CB-CB 4.4Å; I20-C38 HydrophobicContact CG1-CB 4.32Å; I20-M62 WeakPolarHBondContact O-CB 3.32Å; I20-R74 HydrophobicContact CG2-CG 4.34Å; I20-K77 HydrophobicContact CD1-CG 4.33Å; I20-K77 HydrophobicContact CG2-CD 4.4Å; I20-K77 HydrophobicContact CG2-CG 4.43Å; I20-K77 WeakPolarHBondContact O-CD 3.39Å; I20-K77 WeakPolarHBondContact O-CE 3.49Å; I20-K77 PolarHBondContact O-NZ 3.24Å; I20-C78 HydrophobicContact CD1-CB 4.48Å; I20-M81 HydrophobicContact CD1-CB 3.83Å; I20-M81 HydrophobicContact CD1-CG 3.76Å; I20-M83 HydrophobicContact CG1-CE 4.15Å
21	C	98.4	Very high	86.4	Confident	5 Å²	5	71.6 Å²	71.6	3%	0.034	37%	0.369	C	S	.	.	T	Hydrogen-bonded Turn	trans	-130.2	2.8	-165.3	66.5	0	0	0	0	115.2	C18 D23 C35 C38 S63 R64 R67	C18-C21 PolarHBondContact O-N 2.86Å; C21-D23 PolarHBondContact O-N 2.94Å; C21-D23 VanDerWaalsContact SG-CB 3.56Å; C21-C35 VanDerWaalsContact SG-SG 3.7Å; C21-C38 VanDerWaalsContact SG-SG 3.67Å; C21-S63 CarbonylContact O-C 3.5Å; C21-S63 VanDerWaalsContact O-C 3.25Å; C21-S63 VanDerWaalsContact O-CA 3.26Å; C21-S63 WeakPolarHBondContact O-CA 3.42Å; C21-R64 PolarHBondContact O-N 3.43Å; C21-R67 HydrophobicContact CB-CB 4.1Å; C21-R67 PolarHBondContact SG-NH1 3Å
22	G	97.6	Very high	88.4	Confident	51 Å²	51	66.7 Å²	66.7	53%	0.526	34%	0.343	S	S	.	.	S	Bend	trans	73.6	5.9	179.8	0	0	0	0	0	115	T17 C18	T17-G22 VanDerWaalsContact CG2-CA 3.47Å; T17-G22 WeakPolarHBondContact CG2-O 3.29Å; C18-G22 WeakPolarHBondContact O-CA 3.45Å; C18-G22 PolarHBondContact O-N 3.5Å
23	D	97.6	Very high	90.3	Very high	17 Å²	17	58.9 Å²	58.9	9%	0.091	32%	0.316	C	S	.	.	S	Bend	trans	-75.9	162.3	176.3	-163.8	5.2	0	0	0	111.4	C18 C21 A25 C35 R64 R67	C18-D23 HydrophobicContact CB-CB 4.48Å; C18-D23 WeakPolarHBondContact CB-O 3.4Å; C18-D23 PolarHBondContact N-O 3.21Å; C21-D23 PolarHBondContact O-N 2.94Å; C21-D23 VanDerWaalsContact SG-CB 3.56Å; D23-A25 PolarHBondContact O-N 3.24Å; D23-A25 VanDerWaalsContact O-N 3.13Å; D23-C35 HydrophobicContact CB-CB 4.12Å; D23-R64 HydrophobicContact CB-CB 4.24Å; D23-R64 HydrophobicContact CB-CG 4.16Å; D23-R64 WeakPolarHBondContact OD1-CD 3.4Å; D23-R64 IonicContact OD1-CZ 3.33Å; D23-R64 IonicContact OD1-NE 3.52Å; D23-R64 IonicContact OD1-NH1 2.66Å; D23-R64 PolarHBondContact OD1-NH1 2.69Å; D23-R67 IonicContact OD2-CZ 3.48Å; D23-R67 IonicContact OD2-NH1 2.8Å; D23-R67 PolarHBondContact OD2-NH1 3.44Å; D23-R67 IonicContact OD2-NH2 3.29Å; D23-R67 PolarHBondContact OD2-NH2 3.19Å
24	R	96.8	Very high	92.4	Very high	166 Å²	166	54.6 Å²	54.6	63%	0.626	28%	0.281	S	S	*	.	B	Isolated β-bridge	trans	-57.9	118.6	177.2	-170.5	172.2	77.6	-164.6	8.1	109.9	Q15 C35	Q15-R24 HydrophobicContact CG-CG 4.05Å; Q15-R24 VanDerWaalsContact NE2-CD 3.33Å; R24-C35 VanDerWaalsContact O-CB 3.28Å; R24-C35 WeakPolarHBondContact O-CB 3.39Å
25	A	96.9	Very high	94.4	Very high	14 Å²	14	48.5 Å²	48.5	12%	0.116	25%	0.252	C	S	.	.	P	Polyproline II helix	trans	-76.7	148.8	177.4	0	0	0	0	0	110.3	R16 D23 I33 S34	R16-A25 HydrophobicContact CB-CB 4.11Å; R16-A25 WeakPolarHBondContact O-CA 3.38Å; R16-A25 WeakPolarHBondContact O-CB 3.39Å; R16-A25 PolarHBondContact O-N 3.41Å; D23-A25 PolarHBondContact O-N 3.24Å; D23-A25 VanDerWaalsContact O-N 3.13Å; A25-I33 HydrophobicContact CB-CG2 3.45Å; A25-I33 VanDerWaalsContact CB-CG2 3.45Å; A25-S34 WeakPolarHBondContact CA-O 3.37Å; A25-S34 WeakPolarHBondContact CB-O 3.16Å
26	T	94.8	Very high	95.9	Very high	83 Å²	83	46.1 Å²	46.1	51%	0.509	24%	0.241	S	C	.	.			trans	-104.6	-12	176.9	49.2	0	0	0	0	112	H29 S34 E36	T26-H29 PolarHBondContact OG1-NE2 2.88Å; T26-S34 PolarHBondContact N-O 3.15Å; T26-S34 VanDerWaalsContact N-O 3.08Å; T26-S34 PolarHBondContact OG1-O 3.33Å; T26-E36 HydrophobicContact CG2-CG 3.81Å; T26-E36 PolarHBondContact OG1-OE1 2.85Å
27	G	93.3	Very high	96.4	Very high	18 Å²	18	40.4 Å²	40.4	19%	0.186	23%	0.228	C	C	.	.	E	Extended strand (participates in β ladder)	trans	152.6	-161.7	178.7	0	0	0	0	0	112.7	I33 S34	G27-I33 WeakPolarHBondContact O-CA 3.47Å; G27-S34 PolarHBondContact O-N 3.32Å
28	L	93.2	Very high	96.5	Very high	100 Å²	100	36.6 Å²	36.6	52%	0.524	21%	0.205	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-79.4	122.2	171.4	-69.9	168.9	0	0	0	109.6	I32 I33	L28-I32 CarbonylContact C-O 3.25Å; L28-I32 WeakPolarHBondContact CA-O 3.32Å; L28-I33 HydrophobicContact CD2-CD1 3.51Å; L28-I33 HydrophobicContact CD2-CG1 3.98Å; L28-I33 HydrophobicContact CG-CD1 3.82Å
29	H	94.6	Very high	96.4	Very high	27 Å²	27	39.3 Å²	39.3	13%	0.125	22%	0.216	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-128.3	125.2	171.2	-56.7	-61.9	0	0	0	108.9	T26 G31 I32 S34 E36 K39	T26-H29 PolarHBondContact OG1-NE2 2.88Å; H29-G31 PolarHBondContact O-N 2.93Å; H29-I32 PolarHBondContact N-O 2.98Å; H29-I32 PolarHBondContact O-N 3.16Å; H29-S34 WeakPolarHBondContact CB-OG 3.34Å; H29-S34 PolarHBondContact CD2-O 3.24Å; H29-S34 PolarHBondContact CD2-OG 2.89Å; H29-E36 IonicContact CE1-OE1 3.23Å; H29-E36 PolarHBondContact CE1-OE1 3.34Å; H29-E36 IonicContact NE2-OE1 3.15Å; H29-E36 PolarHBondContact NE2-OE1 3.47Å; H29-K39 HydrophobicContact CB-CB 3.99Å; H29-K39 HydrophobicContact CB-CG 3.95Å
30	Y	94.8	Very high	96.4	Very high	41 Å²	41	36.4 Å²	36.4	16%	0.161	21%	0.206	C	C	.	.	T	Hydrogen-bonded Turn	trans	53	37.9	179.7	-46.4	-67.3	0	0	0	113.3	K39 F42 K43 M83 N84 A87 I88	Y30-K39 HydrophobicContact CE2-CB 4.32Å; Y30-K39 HydrophobicContact CE2-CG 3.72Å; Y30-K39 WeakPolarHBondContact CE2-O 3.35Å; Y30-F42 HydrophobicContact CD1-CD1 4.47Å; Y30-F42 HydrophobicContact CD2-CB 4.5Å; Y30-F42 AromaticContact CD2-CD1 3.57Å; Y30-F42 HydrophobicContact CD2-CD1 3.57Å; Y30-F42 HydrophobicContact CD2-CE1 4.27Å; Y30-F42 HydrophobicContact CD2-CG 4.42Å; Y30-F42 HydrophobicContact CE2-CD1 4.07Å; Y30-F42 AromaticContact CG-CD1 3.8Å; Y30-F42 HydrophobicContact CG-CD1 3.8Å; Y30-F42 HydrophobicContact CG-CE1 4.03Å; Y30-K43 WeakPolarHBondContact OH-CB 3.42Å; Y30-M83 CarbonylContact O-C 3.22Å; Y30-M83 VanDerWaalsContact O-CA 3.32Å; Y30-M83 WeakPolarHBondContact O-CA 3.38Å; Y30-N84 PolarHBondContact O-N 2.86Å; Y30-A87 HydrophobicContact CD1-CB 4.1Å; Y30-I88 HydrophobicContact CD1-CG1 3.73Å; Y30-I88 HydrophobicContact CE1-CB 4.49Å; Y30-I88 HydrophobicContact CE1-CD1 4.38Å; Y30-I88 HydrophobicContact CE1-CG1 3.43Å; Y30-I88 VanDerWaalsContact CE1-CG1 3.43Å
31	G	93.6	Very high	96.5	Very high	5 Å²	5	36.9 Å²	36.9	5%	0.052	21%	0.208	C	C	.	.	T	Hydrogen-bonded Turn	trans	102.5	-18.5	177.5	0	0	0	0	0	115.9	H29 I101 G102 P103	H29-G31 PolarHBondContact O-N 2.93Å; G31-I101 VanDerWaalsContact CA-O 3.32Å; G31-I101 WeakPolarHBondContact CA-O 3.33Å; G31-G102 WeakPolarHBondContact CA-O 3.39Å; G31-G102 CarbonylContact O-C 3.59Å; G31-P103 WeakPolarHBondContact O-CD 3.3Å
32	I	95.1	Very high	96.4	Very high	2 Å²	2	36.6 Å²	36.6	1%	0.01	21%	0.206	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-135	158.4	-171	79.3	170	0	0	0	113.6	L19 I20 L28 H29 S34 M81 M83 P103	L19-I32 HydrophobicContact CD1-CB 4.35Å; I20-I32 HydrophobicContact CD1-CD1 3.75Å; I20-I32 HydrophobicContact CG1-CD1 4.27Å; L28-I32 CarbonylContact C-O 3.25Å; L28-I32 WeakPolarHBondContact CA-O 3.32Å; H29-I32 PolarHBondContact N-O 2.98Å; H29-I32 PolarHBondContact O-N 3.16Å; I32-S34 PolarHBondContact O-N 3.25Å; I32-M81 HydrophobicContact CD1-CB 3.84Å; I32-M81 WeakPolarHBondContact CG2-O 3.4Å; I32-M83 HydrophobicContact CD1-CE 3.78Å; I32-M83 HydrophobicContact CD1-CG 3.5Å; I32-M83 VanDerWaalsContact CD1-CG 3.5Å; I32-M83 HydrophobicContact CD1-SD 4.43Å; I32-M83 HydrophobicContact CG1-CE 3.83Å; I32-M83 HydrophobicContact CG1-CG 3.71Å; I32-P103 HydrophobicContact CG2-CB 3.96Å; I32-P103 HydrophobicContact CG2-CG 4.11Å
33	I	95.4	Very high	96.4	Very high	36 Å²	36	38.4 Å²	38.4	19%	0.185	20%	0.199	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-67.8	115.3	173.2	-62.2	-62	0	0	0	110.1	R16 T17 L19 A25 G27 L28	R16-I33 HydrophobicContact CB-CG2 3.84Å; T17-I33 WeakPolarHBondContact O-CG2 3.26Å; L19-I33 HydrophobicContact CD1-CB 4.46Å; L19-I33 HydrophobicContact CG-CB 4.4Å; L19-I33 PolarHBondContact N-O 3.34Å; A25-I33 HydrophobicContact CB-CG2 3.45Å; A25-I33 VanDerWaalsContact CB-CG2 3.45Å; G27-I33 WeakPolarHBondContact O-CA 3.47Å; L28-I33 HydrophobicContact CD2-CD1 3.51Å; L28-I33 HydrophobicContact CD2-CG1 3.98Å; L28-I33 HydrophobicContact CG-CD1 3.82Å
34	S	97.3	Very high	96.3	Very high	0 Å²	0	44.3 Å²	44.3	0%	0	22%	0.22	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-149.8	166.8	-179.5	66.1	0	0	0	0	114	A25 T26 G27 H29 I32 M83	A25-S34 WeakPolarHBondContact CA-O 3.37Å; A25-S34 WeakPolarHBondContact CB-O 3.16Å; T26-S34 PolarHBondContact N-O 3.15Å; T26-S34 VanDerWaalsContact N-O 3.08Å; T26-S34 PolarHBondContact OG1-O 3.33Å; G27-S34 PolarHBondContact O-N 3.32Å; H29-S34 WeakPolarHBondContact CB-OG 3.34Å; H29-S34 PolarHBondContact CD2-O 3.24Å; H29-S34 PolarHBondContact CD2-OG 2.89Å; I32-S34 PolarHBondContact O-N 3.25Å; S34-M83 WeakPolarHBondContact OG-CE 3.34Å
35	C	98.1	Very high	96.4	Very high	2 Å²	2	36.6 Å²	36.6	1%	0.014	19%	0.192	C	C	.	.			trans	-88.5	161.6	175.1	65.2	0	0	0	0	111.3	C18 C21 D23 R24 G37 C38 K39 R67	C18-C35 HydrophobicContact CB-CB 3.96Å; C18-C35 PolarHBondContact SG-N 2.88Å; C18-C35 VanDerWaalsContact SG-N 3.42Å; C18-C35 VanDerWaalsContact SG-SG 3.66Å; C21-C35 VanDerWaalsContact SG-SG 3.7Å; D23-C35 HydrophobicContact CB-CB 4.12Å; R24-C35 VanDerWaalsContact O-CB 3.28Å; R24-C35 WeakPolarHBondContact O-CB 3.39Å; C35-G37 PolarHBondContact O-N 3.2Å; C35-C38 PolarHBondContact O-N 3.46Å; C35-C38 VanDerWaalsContact O-N 3.07Å; C35-C38 PolarHBondContact SG-N 2.87Å; C35-K39 PolarHBondContact O-N 3.06Å; C35-R67 PolarHBondContact SG-NH1 3.44Å
36	E	97.6	Very high	96.3	Very high	92 Å²	92	37.4 Å²	37.4	43%	0.43	19%	0.194	S	C	.	.	H	α-helix	trans	-56.1	-34.5	176.2	-71.3	-61.4	126.4	0	0	113	T26 H29 C38 K39 G40	T26-E36 HydrophobicContact CG2-CG 3.81Å; T26-E36 PolarHBondContact OG1-OE1 2.85Å; H29-E36 IonicContact CE1-OE1 3.23Å; H29-E36 PolarHBondContact CE1-OE1 3.34Å; H29-E36 IonicContact NE2-OE1 3.15Å; H29-E36 PolarHBondContact NE2-OE1 3.47Å; E36-C38 PolarHBondContact O-N 3.16Å; E36-K39 VanDerWaalsContact CD-NZ 3.32Å; E36-K39 PolarHBondContact O-N 3.18Å; E36-K39 IonicContact OE1-NZ 2.8Å; E36-K39 PolarHBondContact OE1-NZ 3.43Å; E36-K39 VanDerWaalsContact OE2-CD 3.23Å; E36-K39 WeakPolarHBondContact OE2-CD 3.09Å; E36-K39 IonicContact OE2-NZ 2.83Å; E36-K39 PolarHBondContact OE2-NZ 2.66Å; E36-G40 PolarHBondContact O-N 3.4Å
37	G	98.4	Very high	96.2	Very high	27 Å²	27	36.3 Å²	36.3	28%	0.278	19%	0.189	S	C	.	.	H	α-helix	trans	-62.1	-41.4	177.4	0	0	0	0	0	112.9	C35 F41 R74	C35-G37 PolarHBondContact O-N 3.2Å; G37-F41 VanDerWaalsContact O-CB 3.25Å; G37-F41 WeakPolarHBondContact O-CB 3.22Å; G37-F41 PolarHBondContact O-N 2.84Å; G37-R74 PolarHBondContact O-NH2 3.1Å
38	C	98.7	Very high	96.2	Very high	0 Å²	0	39.6 Å²	39.6	0%	0	20%	0.202	C	C	.	.	H	α-helix	trans	-80.6	-35.2	178.9	-70.4	0	0	0	0	112.4	I20 C21 C35 E36 F41 F42 R74 M83	I20-C38 HydrophobicContact CB-CB 4.4Å; I20-C38 HydrophobicContact CG1-CB 4.32Å; C21-C38 VanDerWaalsContact SG-SG 3.67Å; C35-C38 PolarHBondContact O-N 3.46Å; C35-C38 VanDerWaalsContact O-N 3.07Å; C35-C38 PolarHBondContact SG-N 2.87Å; E36-C38 PolarHBondContact O-N 3.16Å; C38-F41 PolarHBondContact O-N 3.11Å; C38-F42 WeakPolarHBondContact O-CB 3.37Å; C38-F42 PolarHBondContact O-N 3.05Å; C38-R74 PolarHBondContact SG-NH2 2.94Å; C38-R74 VanDerWaalsContact SG-NH2 3.36Å; C38-M83 HydrophobicContact CB-CE 4.36Å
39	K	97.5	Very high	96.2	Very high	60 Å²	60	39.8 Å²	39.8	26%	0.261	20%	0.199	S	C	.	.	H	α-helix	trans	-53.5	-56.4	169.4	173.6	-157.2	-170.9	178.5	0	111.6	H29 Y30 C35 E36 F41 F42 K43	H29-K39 HydrophobicContact CB-CB 3.99Å; H29-K39 HydrophobicContact CB-CG 3.95Å; Y30-K39 HydrophobicContact CE2-CB 4.32Å; Y30-K39 HydrophobicContact CE2-CG 3.72Å; Y30-K39 WeakPolarHBondContact CE2-O 3.35Å; C35-K39 PolarHBondContact O-N 3.06Å; E36-K39 VanDerWaalsContact CD-NZ 3.32Å; E36-K39 PolarHBondContact O-N 3.18Å; E36-K39 IonicContact OE1-NZ 2.8Å; E36-K39 PolarHBondContact OE1-NZ 3.43Å; E36-K39 VanDerWaalsContact OE2-CD 3.23Å; E36-K39 WeakPolarHBondContact OE2-CD 3.09Å; E36-K39 IonicContact OE2-NZ 2.83Å; E36-K39 PolarHBondContact OE2-NZ 2.66Å; K39-F41 VanDerWaalsContact C-N 3.34Å; K39-F41 PolarHBondContact O-N 2.85Å; K39-F42 PolarHBondContact O-N 3.47Å; K39-K43 PolarHBondContact O-N 3.31Å
40	G	97.5	Very high	96.3	Very high	19 Å²	19	44.7 Å²	44.7	20%	0.196	22%	0.216	C	C	.	.	H	α-helix	trans	-65.5	-37	-178.9	0	0	0	0	0	112.9	E36 R44	E36-G40 PolarHBondContact O-N 3.4Å; G40-R44 WeakPolarHBondContact O-CB 3.25Å; G40-R44 WeakPolarHBondContact O-CG 3.31Å; G40-R44 PolarHBondContact O-N 3.26Å; G40-R44 VanDerWaalsContact O-N 3.08Å; G40-R44 PolarHBondContact O-NH1 2.8Å
41	F	98.7	Very high	96.4	Very high	9 Å²	9	46.4 Å²	46.4	4%	0.039	23%	0.231	C	C	.	.	H	α-helix	trans	-62.7	-47	175.1	172.3	-97.8	0	0	0	112	G37 C38 K39 R44 S45 Y52 Q71 R74 L75	G37-F41 VanDerWaalsContact O-CB 3.25Å; G37-F41 WeakPolarHBondContact O-CB 3.22Å; G37-F41 PolarHBondContact O-N 2.84Å; C38-F41 PolarHBondContact O-N 3.11Å; K39-F41 VanDerWaalsContact C-N 3.34Å; K39-F41 PolarHBondContact O-N 2.85Å; F41-R44 PolarHBondContact O-N 3.28Å; F41-S45 WeakPolarHBondContact O-CB 3.32Å; F41-S45 PolarHBondContact O-N 2.89Å; F41-S45 PolarHBondContact O-OG 2.91Å; F41-Y52 HydrophobicContact CE2-CE2 4.06Å; F41-Y52 AromaticContact CE2-CZ 3.99Å; F41-Y52 HydrophobicContact CZ-CD2 4.46Å; F41-Y52 AromaticContact CZ-CE2 3.77Å; F41-Y52 HydrophobicContact CZ-CE2 3.77Å; F41-Q71 HydrophobicContact CE2-CB 4.07Å; F41-Q71 HydrophobicContact CE2-CG 4.14Å; F41-Q71 HydrophobicContact CZ-CB 4.16Å; F41-Q71 WeakPolarHBondContact CZ-O 3.45Å; F41-R74 HydrophobicContact CD1-CG 3.79Å; F41-R74 HydrophobicContact CE1-CB 3.82Å; F41-R74 HydrophobicContact CE1-CG 3.58Å; F41-R74 HydrophobicContact CZ-CB 4.01Å; F41-R74 HydrophobicContact CZ-CG 4.15Å; F41-L75 HydrophobicContact CE1-CB 3.88Å; F41-L75 HydrophobicContact CE1-CD1 4.41Å; F41-L75 HydrophobicContact CZ-CB 4.06Å
42	F	98.2	Very high	96.6	Very high	0 Å²	0	47.8 Å²	47.8	0%	0	24%	0.235	C	C	.	.	H	α-helix	trans	-61.6	-51.4	178.6	-175.7	-104.7	0	0	0	111	Y30 C38 K39 R44 S45 I46 L75 C78 L79 M83 R85 I88	Y30-F42 HydrophobicContact CD1-CD1 4.47Å; Y30-F42 HydrophobicContact CD2-CB 4.5Å; Y30-F42 AromaticContact CD2-CD1 3.57Å; Y30-F42 HydrophobicContact CD2-CD1 3.57Å; Y30-F42 HydrophobicContact CD2-CE1 4.27Å; Y30-F42 HydrophobicContact CD2-CG 4.42Å; Y30-F42 HydrophobicContact CE2-CD1 4.07Å; Y30-F42 AromaticContact CG-CD1 3.8Å; Y30-F42 HydrophobicContact CG-CD1 3.8Å; Y30-F42 HydrophobicContact CG-CE1 4.03Å; C38-F42 WeakPolarHBondContact O-CB 3.37Å; C38-F42 PolarHBondContact O-N 3.05Å; K39-F42 PolarHBondContact O-N 3.47Å; F42-R44 PolarHBondContact O-N 3.45Å; F42-S45 PolarHBondContact O-N 3Å; F42-S45 VanDerWaalsContact O-N 3.07Å; F42-I46 HydrophobicContact CD1-CG1 4.34Å; F42-I46 HydrophobicContact CD2-CG1 4.25Å; F42-I46 HydrophobicContact CE1-CG1 4Å; F42-I46 HydrophobicContact CE2-CD1 4.05Å; F42-I46 HydrophobicContact CE2-CG1 3.91Å; F42-I46 HydrophobicContact CG-CG1 4.46Å; F42-I46 HydrophobicContact CZ-CD1 4.18Å; F42-I46 HydrophobicContact CZ-CG1 3.78Å; F42-I46 WeakPolarHBondContact O-CG1 3.49Å; F42-I46 PolarHBondContact O-N 3.29Å; F42-L75 HydrophobicContact CD2-CD1 3.96Å; F42-L75 HydrophobicContact CE2-CD1 4.29Å; F42-C78 HydrophobicContact CD2-CB 3.71Å; F42-C78 HydrophobicContact CE2-CB 4.2Å; F42-L79 HydrophobicContact CE2-CD2 3.88Å; F42-L79 HydrophobicContact CZ-CD2 4.36Å; F42-M83 HydrophobicContact CB-SD 3.62Å; F42-M83 HydrophobicContact CD1-CB 4.2Å; F42-M83 HydrophobicContact CD1-SD 4.04Å; F42-M83 HydrophobicContact CD2-CB 3.91Å; F42-M83 HydrophobicContact CD2-CG 4.45Å; F42-M83 HydrophobicContact CD2-SD 3.73Å; F42-M83 HydrophobicContact CE1-CB 3.89Å; F42-M83 HydrophobicContact CE2-CB 3.58Å; F42-M83 HydrophobicContact CE2-SD 4.4Å; F42-M83 HydrophobicContact CG-CB 4.21Å; F42-M83 HydrophobicContact CG-SD 3.52Å; F42-M83 VanDerWaalsContact CG-SD 3.52Å; F42-M83 HydrophobicContact CZ-CB 3.56Å; F42-M83 WeakPolarHBondContact CZ-O 3.04Å; F42-R85 HydrophobicContact CZ-CB 4.27Å; F42-I88 HydrophobicContact CD1-CD1 3.97Å; F42-I88 HydrophobicContact CE1-CD1 3.8Å
43	K	96.1	Very high	96.7	Very high	89 Å²	89	58.6 Å²	58.6	39%	0.387	28%	0.275	S	S	.	.	H	α-helix	trans	-51.2	-54	176.5	-172.5	179.6	177.1	178.2	0	112	Y30 K39 S45 I46 C47 I88	Y30-K43 WeakPolarHBondContact OH-CB 3.42Å; K39-K43 PolarHBondContact O-N 3.31Å; K43-S45 VanDerWaalsContact C-N 3.29Å; K43-S45 PolarHBondContact O-N 3.2Å; K43-I46 PolarHBondContact O-N 3.37Å; K43-C47 VanDerWaalsContact O-CB 3.3Å; K43-C47 WeakPolarHBondContact O-CB 3.27Å; K43-C47 PolarHBondContact O-N 3.04Å; K43-C47 PolarHBondContact O-SG 3.05Å; K43-I88 HydrophobicContact CG-CG2 4.49Å
44	R	97.1	Very high	96.8	Very high	141 Å²	141	58 Å²	58	53%	0.532	28%	0.275	S	S	.	.	H	α-helix	trans	-63.7	-33.8	-179.3	-71.8	-171.5	-58	-88.6	1	113.1	G40 F41 F42 N48	G40-R44 WeakPolarHBondContact O-CB 3.25Å; G40-R44 WeakPolarHBondContact O-CG 3.31Å; G40-R44 PolarHBondContact O-N 3.26Å; G40-R44 VanDerWaalsContact O-N 3.08Å; G40-R44 PolarHBondContact O-NH1 2.8Å; F41-R44 PolarHBondContact O-N 3.28Å; F42-R44 PolarHBondContact O-N 3.45Å; R44-N48 VanDerWaalsContact O-CB 3.23Å; R44-N48 WeakPolarHBondContact O-CB 3.34Å; R44-N48 PolarHBondContact O-N 2.99Å
45	S	97.5	Very high	96.8	Very high	3 Å²	3	64.1 Å²	64.1	2%	0.021	32%	0.317	C	S	.	.	H	α-helix	trans	-69.5	-43.5	-179.7	-57.6	0	0	0	0	111.1	F41 F42 K43 K49 R50 Y52	F41-S45 WeakPolarHBondContact O-CB 3.32Å; F41-S45 PolarHBondContact O-N 2.89Å; F41-S45 PolarHBondContact O-OG 2.91Å; F42-S45 PolarHBondContact O-N 3Å; F42-S45 VanDerWaalsContact O-N 3.07Å; K43-S45 VanDerWaalsContact C-N 3.29Å; K43-S45 PolarHBondContact O-N 3.2Å; S45-K49 PolarHBondContact O-N 3.15Å; S45-R50 PolarHBondContact O-N 3.36Å; S45-Y52 WeakPolarHBondContact OG-CE2 3.23Å; S45-Y52 PolarHBondContact OG-OH 3.19Å
46	I	95.3	Very high	96.7	Very high	32 Å²	32	71.9 Å²	71.9	16%	0.164	35%	0.346	C	S	.	.	H	α-helix	trans	-73.4	-54.8	178.1	-57.5	-53.8	0	0	0	111.3	F42 K43 N48 K49 L75 R85 I88 I114	F42-I46 HydrophobicContact CD1-CG1 4.34Å; F42-I46 HydrophobicContact CD2-CG1 4.25Å; F42-I46 HydrophobicContact CE1-CG1 4Å; F42-I46 HydrophobicContact CE2-CD1 4.05Å; F42-I46 HydrophobicContact CE2-CG1 3.91Å; F42-I46 HydrophobicContact CG-CG1 4.46Å; F42-I46 HydrophobicContact CZ-CD1 4.18Å; F42-I46 HydrophobicContact CZ-CG1 3.78Å; F42-I46 WeakPolarHBondContact O-CG1 3.49Å; F42-I46 PolarHBondContact O-N 3.29Å; K43-I46 PolarHBondContact O-N 3.37Å; I46-N48 VanDerWaalsContact C-N 3.28Å; I46-N48 PolarHBondContact O-N 3.39Å; I46-K49 PolarHBondContact O-N 3.5Å; I46-L75 HydrophobicContact CD1-CD1 4.42Å; I46-R85 HydrophobicContact CD1-CB 4.4Å; I46-R85 HydrophobicContact CG1-CB 4.3Å; I46-R85 HydrophobicContact CG2-CB 3.98Å; I46-I88 HydrophobicContact CB-CD1 3.65Å; I46-I88 HydrophobicContact CG1-CD1 3.93Å; I46-I88 HydrophobicContact CG2-CD1 3.83Å; I46-I114 HydrophobicContact CD1-CG2 4.12Å
47	C	92.7	Very high	96.7	Very high	60 Å²	60	74 Å²	74	41%	0.405	36%	0.36	S	S	.	.	H	α-helix	trans	-58.7	-40.2	-176.4	-67.3	0	0	0	0	112.6	K43 K49 I88	K43-C47 VanDerWaalsContact O-CB 3.3Å; K43-C47 WeakPolarHBondContact O-CB 3.27Å; K43-C47 PolarHBondContact O-N 3.04Å; K43-C47 PolarHBondContact O-SG 3.05Å; C47-K49 VanDerWaalsContact C-N 3.29Å; C47-I88 VanDerWaalsContact SG-CG2 3.51Å
48	N	93.8	Very high	96.6	Very high	86 Å²	86	78.6 Å²	78.6	46%	0.46	37%	0.372	S	S	.	.	T	Hydrogen-bonded Turn	trans	-94.6	13.9	-178.3	-54.8	26.9	0	0	0	112	R44 I46 R50	R44-N48 VanDerWaalsContact O-CB 3.23Å; R44-N48 WeakPolarHBondContact O-CB 3.34Å; R44-N48 PolarHBondContact O-N 2.99Å; I46-N48 VanDerWaalsContact C-N 3.28Å; I46-N48 PolarHBondContact O-N 3.39Å; N48-R50 HydrophobicContact CB-CG 3.98Å; N48-R50 PolarHBondContact O-N 3.19Å; N48-R50 VanDerWaalsContact O-N 3.1Å
49	K	93.4	Very high	96.6	Very high	104 Å²	104	84 Å²	84	45%	0.452	40%	0.401	S	S	.	.	T	Hydrogen-bonded Turn	trans	53.1	41.2	171.6	-52.9	-174.3	169.4	-167.1	0	111.9	S45 I46 C47 V51 F120	S45-K49 PolarHBondContact O-N 3.15Å; I46-K49 PolarHBondContact O-N 3.5Å; C47-K49 VanDerWaalsContact C-N 3.29Å; K49-V51 PolarHBondContact O-N 2.92Å; K49-F120 HydrophobicContact CB-CD2 3.89Å; K49-F120 HydrophobicContact CB-CE1 4.39Å; K49-F120 HydrophobicContact CB-CE2 3.35Å; K49-F120 HydrophobicContact CB-CZ 3.62Å; K49-F120 HydrophobicContact CD-CB 4.45Å; K49-F120 HydrophobicContact CD-CD1 3.37Å; K49-F120 HydrophobicContact CD-CD2 3.7Å; K49-F120 HydrophobicContact CD-CE1 3.31Å; K49-F120 HydrophobicContact CD-CE2 3.68Å; K49-F120 HydrophobicContact CD-CG 3.54Å; K49-F120 HydrophobicContact CD-CZ 3.47Å; K49-F120 VanDerWaalsContact CD-CZ 3.47Å; K49-F120 HydrophobicContact CG-CD1 4.15Å; K49-F120 HydrophobicContact CG-CD2 4.05Å; K49-F120 HydrophobicContact CG-CE1 3.59Å; K49-F120 HydrophobicContact CG-CE2 3.52Å; K49-F120 HydrophobicContact CG-CG 4.34Å; K49-F120 HydrophobicContact CG-CZ 3.24Å
50	R	95.3	Very high	96.6	Very high	130 Å²	130	82.1 Å²	82.1	49%	0.491	40%	0.395	S	S	.	.			trans	-77.2	116.8	-169.5	-63.3	-62.3	-165.9	178.6	1.2	110.8	S45 N48 Y52	S45-R50 PolarHBondContact O-N 3.36Å; N48-R50 HydrophobicContact CB-CG 3.98Å; N48-R50 PolarHBondContact O-N 3.19Å; N48-R50 VanDerWaalsContact O-N 3.1Å; R50-Y52 HydrophobicContact CB-CE1 3.92Å; R50-Y52 HydrophobicContact CB-CE2 3.9Å; R50-Y52 HydrophobicContact CG-CE1 4.5Å
51	V	96.4	Very high	96.6	Very high	78 Å²	78	86.3 Å²	86.3	47%	0.473	42%	0.417	S	S	.	.			trans	-90.8	121.7	167.6	179.9	0	0	0	0	109	K49	K49-V51 PolarHBondContact O-N 2.92Å
52	Y	97.8	Very high	96.6	Very high	34 Å²	34	86.6 Å²	86.6	13%	0.133	42%	0.419	C	S	.	.			trans	-107.1	158.1	177.6	-58.6	-62.7	0	0	0	110.7	F41 S45 R50 Q71 Y72 L75	F41-Y52 HydrophobicContact CE2-CE2 4.06Å; F41-Y52 AromaticContact CE2-CZ 3.99Å; F41-Y52 HydrophobicContact CZ-CD2 4.46Å; F41-Y52 AromaticContact CZ-CE2 3.77Å; F41-Y52 HydrophobicContact CZ-CE2 3.77Å; S45-Y52 WeakPolarHBondContact OG-CE2 3.23Å; S45-Y52 PolarHBondContact OG-OH 3.19Å; R50-Y52 HydrophobicContact CB-CE1 3.92Å; R50-Y52 HydrophobicContact CB-CE2 3.9Å; R50-Y52 HydrophobicContact CG-CE1 4.5Å; Y52-Q71 HydrophobicContact CD1-CB 3.48Å; Y52-Q71 VanDerWaalsContact CD1-CB 3.48Å; Y52-Q71 HydrophobicContact CD1-CG 4.25Å; Y52-Q71 HydrophobicContact CD2-CB 3.93Å; Y52-Q71 HydrophobicContact CE1-CB 3.73Å; Y52-Q71 HydrophobicContact CE1-CG 4.17Å; Y52-Q71 VanDerWaalsContact CE1-OE1 3.23Å; Y52-Q71 HydrophobicContact CE2-CB 4.14Å; Y52-Q71 HydrophobicContact CG-CB 3.58Å; Y52-Y72 WeakPolarHBondContact O-CD2 3.32Å; Y52-L75 HydrophobicContact CD2-CB 4.22Å; Y52-L75 HydrophobicContact CD2-CD2 3.92Å; Y52-L75 HydrophobicContact CE2-CB 4.36Å; Y52-L75 HydrophobicContact CE2-CD2 3.96Å
53	R	97.4	Very high	96.6	Very high	228 Å²	228	88.5 Å²	88.5	86%	0.86	43%	0.432	S	S	*	.			trans	-121.4	138.2	171.4	-66.5	-176.6	177.9	175.8	-0.8	110
54	C	97.9	Very high	96.6	Very high	25 Å²	25	91.9 Å²	91.9	17%	0.169	44%	0.442	C	S	.	.			trans	-87.3	135.1	170.8	-175.7	0	0	0	0	109.4	R56 K58 Y72	C54-R56 VanDerWaalsContact C-N 3.27Å; C54-R56 PolarHBondContact SG-N 3.26Å; C54-R56 VanDerWaalsContact SG-N 3.36Å; C54-R56 PolarHBondContact SG-O 3.04Å; C54-K58 HydrophobicContact CB-CG 4.01Å; C54-K58 PolarHBondContact SG-N 3.29Å; C54-K58 VanDerWaalsContact SG-N 3.43Å; C54-Y72 HydrophobicContact CB-CD1 3.62Å; C54-Y72 HydrophobicContact CB-CE1 4.37Å; C54-Y72 HydrophobicContact CB-CG 3.85Å
55	S	97.6	Very high	96.7	Very high	127 Å²	127	94.7 Å²	94.7	89%	0.888	46%	0.458	S	S	*	.	S	Bend	trans	-87.9	8.3	175.3	-47.2	0	0	0	0	113.6
56	R	96.5	Very high	96.6	Very high	166 Å²	166	97.1 Å²	97.1	63%	0.626	47%	0.469	S	S	*	.	S	Bend	trans	-140	-160	-176.9	-54.1	-176.7	-173.6	-179.1	-3.6	108.9	C54 K58	C54-R56 VanDerWaalsContact C-N 3.27Å; C54-R56 PolarHBondContact SG-N 3.26Å; C54-R56 VanDerWaalsContact SG-N 3.36Å; C54-R56 PolarHBondContact SG-O 3.04Å; R56-K58 PolarHBondContact O-N 2.97Å
57	D	96.9	Very high	96.7	Very high	135 Å²	135	97.2 Å²	97.2	72%	0.722	47%	0.468	S	S	*	.	S	Bend	trans	-82	33.1	-173.8	-44.1	-52.4	0	0	0	115	N59	D57-N59 PolarHBondContact O-N 3.3Å
58	K	96.7	Very high	97	Very high	124 Å²	124	99.9 Å²	99.9	54%	0.539	48%	0.478	S	S	.	.	S	Bend	trans	57	13	177.3	-64.1	176.7	175.5	-179.4	0	115.6	C54 R56 Y72 C73	C54-K58 HydrophobicContact CB-CG 4.01Å; C54-K58 PolarHBondContact SG-N 3.29Å; C54-K58 VanDerWaalsContact SG-N 3.43Å; R56-K58 PolarHBondContact O-N 2.97Å; K58-Y72 HydrophobicContact CB-CD1 4.36Å; K58-Y72 HydrophobicContact CB-CE1 3.66Å; K58-Y72 HydrophobicContact CD-CE1 3.92Å; K58-Y72 WeakPolarHBondContact CD-OH 3.38Å; K58-Y72 HydrophobicContact CG-CD1 4.19Å; K58-Y72 HydrophobicContact CG-CE1 3.51Å; K58-C73 PolarHBondContact O-SG 3.36Å
59	N	97.6	Very high	97.2	Very high	113 Å²	113	104.6 Å²	104.6	60%	0.604	49%	0.489	S	S	*	.			trans	-119.6	28.3	-174.1	64.2	-1.6	0	0	0	113.6	D57 V61	D57-N59 PolarHBondContact O-N 3.3Å; N59-V61 PolarHBondContact O-N 2.89Å
60	C	98.2	Very high	97.5	Very high	21 Å²	21	100.2 Å²	100.2	14%	0.142	47%	0.472	C	S	.	.			trans	-62.5	130	-175.3	-63.1	0	0	0	0	112.3	M62 C70 C73	C60-M62 HydrophobicContact CB-CE 3.76Å; C60-M62 WeakPolarHBondContact O-CE 3.46Å; C60-M62 PolarHBondContact O-N 3.32Å; C60-C70 HydrophobicContact CB-CB 3.98Å; C60-C73 HydrophobicContact CB-CB 3.72Å; C60-C73 PolarHBondContact N-SG 3.1Å
61	V	97.5	Very high	97.6	Very high	107 Å²	107	98.8 Å²	98.8	65%	0.648	47%	0.471	S	S	*	.			trans	-65.7	123	176.8	177.6	0	0	0	0	111.2	N59 Q66	N59-V61 PolarHBondContact O-N 2.89Å; V61-Q66 WeakPolarHBondContact O-CG 3.14Å; V61-Q66 PolarHBondContact O-NE2 3Å
62	M	98.3	Very high	97.7	Very high	16 Å²	16	96.6 Å²	96.6	8%	0.079	45%	0.454	C	S	.	.			trans	-90	113.6	177.9	-68.1	-60.4	107.5	0	0	111.6	I20 C60 R67 C70 C73 R74 K77	I20-M62 WeakPolarHBondContact O-CB 3.32Å; C60-M62 HydrophobicContact CB-CE 3.76Å; C60-M62 WeakPolarHBondContact O-CE 3.46Å; C60-M62 PolarHBondContact O-N 3.32Å; M62-R67 HydrophobicContact SD-CB 4.3Å; M62-C70 HydrophobicContact CE-CB 4.5Å; M62-C73 HydrophobicContact CE-CB 3.82Å; M62-R74 HydrophobicContact SD-CB 3.63Å; M62-R74 HydrophobicContact SD-CG 4.04Å; M62-K77 HydrophobicContact CB-CD 3.94Å; M62-K77 HydrophobicContact CG-CB 4.46Å; M62-K77 HydrophobicContact CG-CD 3.91Å
63	S	98.3	Very high	97.8	Very high	39 Å²	39	95.3 Å²	95.3	27%	0.273	45%	0.45	S	S	.	.			trans	-132.5	162.9	172.8	77.8	0	0	0	0	111	C21 K65 Q66 R67	C21-S63 CarbonylContact O-C 3.5Å; C21-S63 VanDerWaalsContact O-C 3.25Å; C21-S63 VanDerWaalsContact O-CA 3.26Å; C21-S63 WeakPolarHBondContact O-CA 3.42Å; S63-K65 PolarHBondContact O-N 2.97Å; S63-K65 VanDerWaalsContact O-N 3.15Å; S63-Q66 PolarHBondContact O-N 3.49Å; S63-Q66 VanDerWaalsContact O-N 3.13Å; S63-Q66 WeakPolarHBondContact OG-CG 3.28Å; S63-R67 VanDerWaalsContact O-CB 3.29Å; S63-R67 WeakPolarHBondContact O-CB 3.16Å; S63-R67 PolarHBondContact O-N 3.35Å
64	R	97.4	Very high	97.8	Very high	160 Å²	160	84.8 Å²	84.8	60%	0.604	41%	0.41	S	S	*	.	T	Hydrogen-bonded Turn	trans	-51.1	-41.7	180	-178.7	-180	173.2	148.2	-12.2	112.5	C21 D23	C21-R64 PolarHBondContact O-N 3.43Å; D23-R64 HydrophobicContact CB-CB 4.24Å; D23-R64 HydrophobicContact CB-CG 4.16Å; D23-R64 WeakPolarHBondContact OD1-CD 3.4Å; D23-R64 IonicContact OD1-CZ 3.33Å; D23-R64 IonicContact OD1-NE 3.52Å; D23-R64 IonicContact OD1-NH1 2.66Å; D23-R64 PolarHBondContact OD1-NH1 2.69Å
65	K	97.3	Very high	97.9	Very high	201 Å²	201	83.7 Å²	83.7	87%	0.874	40%	0.403	S	S	*	.	T	Hydrogen-bonded Turn	trans	-73.9	-33.3	-177	-63.8	-178.2	-178.5	177.4	0	113.1	S63	S63-K65 PolarHBondContact O-N 2.97Å; S63-K65 VanDerWaalsContact O-N 3.15Å
66	Q	96.5	Very high	97.9	Very high	53 Å²	53	78.9 Å²	78.9	25%	0.248	37%	0.367	C	S	.	.	T	Hydrogen-bonded Turn	trans	-119.2	1.6	-169.7	82.1	-168.2	-8.8	0	0	115.9	V61 S63 N68 R69	V61-Q66 WeakPolarHBondContact O-CG 3.14Å; V61-Q66 PolarHBondContact O-NE2 3Å; S63-Q66 PolarHBondContact O-N 3.49Å; S63-Q66 VanDerWaalsContact O-N 3.13Å; S63-Q66 WeakPolarHBondContact OG-CG 3.28Å; Q66-N68 PolarHBondContact O-N 2.95Å; Q66-R69 HydrophobicContact CB-CG 4.24Å; Q66-R69 WeakPolarHBondContact O-CB 3.41Å; Q66-R69 PolarHBondContact O-N 3.36Å
67	R	98.1	Very high	98	Very high	35 Å²	35	74 Å²	74	13%	0.132	35%	0.35	C	S	.	.	T	Hydrogen-bonded Turn	trans	-55	-22.9	178.3	66.2	-175.4	-175.6	-160	-6.4	114.2	C21 D23 C35 M62 S63 R74	C21-R67 HydrophobicContact CB-CB 4.1Å; C21-R67 PolarHBondContact SG-NH1 3Å; D23-R67 IonicContact OD2-CZ 3.48Å; D23-R67 IonicContact OD2-NH1 2.8Å; D23-R67 PolarHBondContact OD2-NH1 3.44Å; D23-R67 IonicContact OD2-NH2 3.29Å; D23-R67 PolarHBondContact OD2-NH2 3.19Å; C35-R67 PolarHBondContact SG-NH1 3.44Å; M62-R67 HydrophobicContact SD-CB 4.3Å; S63-R67 VanDerWaalsContact O-CB 3.29Å; S63-R67 WeakPolarHBondContact O-CB 3.16Å; S63-R67 PolarHBondContact O-N 3.35Å; R67-R74 WeakPolarHBondContact O-CD 3.32Å
68	N	98	Very high	98.1	Very high	116 Å²	116	67.6 Å²	67.6	62%	0.62	32%	0.316	S	S	*	.	T	Hydrogen-bonded Turn	trans	-86	-11.6	178.6	-65	-19.2	0	0	0	113.6	Q66 R74	Q66-N68 PolarHBondContact O-N 2.95Å; N68-R74 PolarHBondContact OD1-NH1 3.26Å
69	R	98.3	Very high	98.2	Very high	185 Å²	185	61.8 Å²	61.8	70%	0.698	29%	0.29	S	S	*	.	T	Hydrogen-bonded Turn	trans	-71.1	-32.5	-178.5	-67.2	-171.7	179.5	138.8	-6.6	113.2	Q66	Q66-R69 HydrophobicContact CB-CG 4.24Å; Q66-R69 WeakPolarHBondContact O-CB 3.41Å; Q66-R69 PolarHBondContact O-N 3.36Å
70	C	98.6	Very high	98.2	Very high	12 Å²	12	62.2 Å²	62.2	8%	0.081	29%	0.289	C	S	.	.			trans	-136.2	102	179.3	-174.9	0	0	0	0	110.3	C60 M62 Y72 C73 R74	C60-C70 HydrophobicContact CB-CB 3.98Å; M62-C70 HydrophobicContact CE-CB 4.5Å; C70-Y72 VanDerWaalsContact C-N 3.35Å; C70-C73 HydrophobicContact CB-CB 4.4Å; C70-C73 PolarHBondContact SG-N 3.38Å; C70-R74 WeakPolarHBondContact O-CB 3.36Å; C70-R74 PolarHBondContact O-N 3.02Å
71	Q	98.7	Very high	98.1	Very high	100 Å²	100	64.7 Å²	64.7	47%	0.467	30%	0.299	S	S	.	.	H	α-helix	trans	-69.3	-35	179.6	-64.5	163.8	-24.7	0	0	111.5	F41 Y52 R74 L75	F41-Q71 HydrophobicContact CE2-CB 4.07Å; F41-Q71 HydrophobicContact CE2-CG 4.14Å; F41-Q71 HydrophobicContact CZ-CB 4.16Å; F41-Q71 WeakPolarHBondContact CZ-O 3.45Å; Y52-Q71 HydrophobicContact CD1-CB 3.48Å; Y52-Q71 VanDerWaalsContact CD1-CB 3.48Å; Y52-Q71 HydrophobicContact CD1-CG 4.25Å; Y52-Q71 HydrophobicContact CD2-CB 3.93Å; Y52-Q71 HydrophobicContact CE1-CB 3.73Å; Y52-Q71 HydrophobicContact CE1-CG 4.17Å; Y52-Q71 VanDerWaalsContact CE1-OE1 3.23Å; Y52-Q71 HydrophobicContact CE2-CB 4.14Å; Y52-Q71 HydrophobicContact CG-CB 3.58Å; Q71-R74 PolarHBondContact O-N 3.44Å; Q71-L75 PolarHBondContact O-N 3.48Å
72	Y	98.6	Very high	98.1	Very high	32 Å²	32	59.7 Å²	59.7	13%	0.125	27%	0.269	C	S	.	.	H	α-helix	trans	-56	-59.7	176	176.8	-85	0	0	0	111.5	Y52 C54 K58 C70 R74 L75 L76 M115	Y52-Y72 WeakPolarHBondContact O-CD2 3.32Å; C54-Y72 HydrophobicContact CB-CD1 3.62Å; C54-Y72 HydrophobicContact CB-CE1 4.37Å; C54-Y72 HydrophobicContact CB-CG 3.85Å; K58-Y72 HydrophobicContact CB-CD1 4.36Å; K58-Y72 HydrophobicContact CB-CE1 3.66Å; K58-Y72 HydrophobicContact CD-CE1 3.92Å; K58-Y72 WeakPolarHBondContact CD-OH 3.38Å; K58-Y72 HydrophobicContact CG-CD1 4.19Å; K58-Y72 HydrophobicContact CG-CE1 3.51Å; C70-Y72 VanDerWaalsContact C-N 3.35Å; Y72-R74 PolarHBondContact O-N 3.34Å; Y72-L75 PolarHBondContact O-N 3.24Å; Y72-L75 VanDerWaalsContact O-N 3.16Å; Y72-L76 HydrophobicContact CE1-CD2 3.92Å; Y72-L76 WeakPolarHBondContact O-CB 3.29Å; Y72-L76 PolarHBondContact O-N 2.88Å; Y72-M115 HydrophobicContact CD1-CE 4.32Å; Y72-M115 HydrophobicContact CD2-CE 3.11Å; Y72-M115 HydrophobicContact CE1-CE 4.35Å; Y72-M115 HydrophobicContact CE2-CE 3.18Å; Y72-M115 HydrophobicContact CG-CE 3.74Å
73	C	98.7	Very high	98	Very high	6 Å²	6	58.9 Å²	58.9	4%	0.041	27%	0.265	C	S	.	.	H	α-helix	trans	-65.6	-28	-178	-64.2	0	0	0	0	112.2	K58 C60 M62 C70 K77	K58-C73 PolarHBondContact O-SG 3.36Å; C60-C73 HydrophobicContact CB-CB 3.72Å; C60-C73 PolarHBondContact N-SG 3.1Å; M62-C73 HydrophobicContact CE-CB 3.82Å; C70-C73 HydrophobicContact CB-CB 4.4Å; C70-C73 PolarHBondContact SG-N 3.38Å; C73-K77 VanDerWaalsContact O-CB 3.32Å; C73-K77 WeakPolarHBondContact O-CB 3.49Å; C73-K77 PolarHBondContact O-N 3.29Å
74	R	98.8	Very high	97.8	Very high	8 Å²	8	58.1 Å²	58.1	3%	0.03	26%	0.258	C	S	.	.	H	α-helix	trans	-66.7	-46.7	174.1	-169.8	-177.2	-175.8	174.9	-0.7	111.7	I20 G37 C38 F41 M62 R67 N68 C70 Q71 Y72 K77 C78	I20-R74 HydrophobicContact CG2-CG 4.34Å; G37-R74 PolarHBondContact O-NH2 3.1Å; C38-R74 PolarHBondContact SG-NH2 2.94Å; C38-R74 VanDerWaalsContact SG-NH2 3.36Å; F41-R74 HydrophobicContact CD1-CG 3.79Å; F41-R74 HydrophobicContact CE1-CB 3.82Å; F41-R74 HydrophobicContact CE1-CG 3.58Å; F41-R74 HydrophobicContact CZ-CB 4.01Å; F41-R74 HydrophobicContact CZ-CG 4.15Å; M62-R74 HydrophobicContact SD-CB 3.63Å; M62-R74 HydrophobicContact SD-CG 4.04Å; R67-R74 WeakPolarHBondContact O-CD 3.32Å; N68-R74 PolarHBondContact OD1-NH1 3.26Å; C70-R74 WeakPolarHBondContact O-CB 3.36Å; C70-R74 PolarHBondContact O-N 3.02Å; Q71-R74 PolarHBondContact O-N 3.44Å; Y72-R74 PolarHBondContact O-N 3.34Å; R74-K77 PolarHBondContact O-N 3.44Å; R74-C78 PolarHBondContact O-N 3.22Å; R74-C78 PolarHBondContact O-SG 3.35Å
75	L	98.7	Very high	97.5	Very high	2 Å²	2	53.1 Å²	53.1	1%	0.01	24%	0.239	C	C	.	.	H	α-helix	trans	-67.7	-43.6	178.4	-177.5	60.4	0	0	0	110.9	F41 F42 I46 Y52 Q71 Y72 K77 C78 L79 M115	F41-L75 HydrophobicContact CE1-CB 3.88Å; F41-L75 HydrophobicContact CE1-CD1 4.41Å; F41-L75 HydrophobicContact CZ-CB 4.06Å; F42-L75 HydrophobicContact CD2-CD1 3.96Å; F42-L75 HydrophobicContact CE2-CD1 4.29Å; I46-L75 HydrophobicContact CD1-CD1 4.42Å; Y52-L75 HydrophobicContact CD2-CB 4.22Å; Y52-L75 HydrophobicContact CD2-CD2 3.92Å; Y52-L75 HydrophobicContact CE2-CB 4.36Å; Y52-L75 HydrophobicContact CE2-CD2 3.96Å; Q71-L75 PolarHBondContact O-N 3.48Å; Y72-L75 PolarHBondContact O-N 3.24Å; Y72-L75 VanDerWaalsContact O-N 3.16Å; L75-K77 VanDerWaalsContact C-N 3.33Å; L75-K77 PolarHBondContact O-N 3.13Å; L75-C78 WeakPolarHBondContact O-CA 3.48Å; L75-C78 VanDerWaalsContact O-CB 3.31Å; L75-C78 WeakPolarHBondContact O-CB 3.45Å; L75-C78 PolarHBondContact O-N 3.47Å; L75-L79 HydrophobicContact CG-CD1 4.38Å; L75-L79 PolarHBondContact O-N 3.42Å; L75-M115 HydrophobicContact CB-CE 4.47Å; L75-M115 HydrophobicContact CB-SD 4.02Å; L75-M115 HydrophobicContact CD2-CE 4.45Å; L75-M115 HydrophobicContact CD2-SD 3.61Å; L75-M115 HydrophobicContact CG-SD 3.67Å
76	L	98.6	Very high	97.2	Very high	26 Å²	26	51.3 Å²	51.3	14%	0.136	23%	0.231	C	C	.	.	H	α-helix	trans	-53.2	-50.6	174.2	178.1	60	0	0	0	111.1	Y72 C78 L79 Q80 I111	Y72-L76 HydrophobicContact CE1-CD2 3.92Å; Y72-L76 WeakPolarHBondContact O-CB 3.29Å; Y72-L76 PolarHBondContact O-N 2.88Å; L76-C78 VanDerWaalsContact C-N 3.31Å; L76-C78 PolarHBondContact O-N 3.42Å; L76-L79 PolarHBondContact O-N 3.46Å; L76-Q80 HydrophobicContact CD1-CG 4.17Å; L76-Q80 HydrophobicContact CG-CG 4.45Å; L76-Q80 WeakPolarHBondContact O-CG 3.32Å; L76-Q80 PolarHBondContact O-N 3.38Å; L76-I111 HydrophobicContact CD1-CG2 3.5Å; L76-I111 VanDerWaalsContact CD1-CG2 3.5Å
77	K	98.6	Very high	96.9	Very high	64 Å²	64	49.6 Å²	49.6	28%	0.278	23%	0.226	S	C	.	.	H	α-helix	trans	-63.7	-35	177.2	-170	171.8	-177.3	-174.6	0	112.6	L19 I20 M62 C73 R74 L75 L79 M81	L19-K77 WeakPolarHBondContact O-CE 3.38Å; L19-K77 PolarHBondContact O-NZ 2.77Å; I20-K77 HydrophobicContact CD1-CG 4.33Å; I20-K77 HydrophobicContact CG2-CD 4.4Å; I20-K77 HydrophobicContact CG2-CG 4.43Å; I20-K77 WeakPolarHBondContact O-CD 3.39Å; I20-K77 WeakPolarHBondContact O-CE 3.49Å; I20-K77 PolarHBondContact O-NZ 3.24Å; M62-K77 HydrophobicContact CB-CD 3.94Å; M62-K77 HydrophobicContact CG-CB 4.46Å; M62-K77 HydrophobicContact CG-CD 3.91Å; C73-K77 VanDerWaalsContact O-CB 3.32Å; C73-K77 WeakPolarHBondContact O-CB 3.49Å; C73-K77 PolarHBondContact O-N 3.29Å; R74-K77 PolarHBondContact O-N 3.44Å; L75-K77 VanDerWaalsContact C-N 3.33Å; L75-K77 PolarHBondContact O-N 3.13Å; K77-L79 VanDerWaalsContact C-N 3.35Å; K77-M81 HydrophobicContact CG-CG 4.11Å; K77-M81 WeakPolarHBondContact O-CB 3.12Å; K77-M81 VanDerWaalsContact O-CG 3.22Å; K77-M81 WeakPolarHBondContact O-CG 3.47Å; K77-M81 PolarHBondContact O-N 2.82Å
78	C	98.6	Very high	96.5	Very high	0 Å²	0	49 Å²	49	0%	0	23%	0.225	C	C	.	.	H	α-helix	trans	-59.1	-46.6	173.8	-71.6	0	0	0	0	111.8	I20 F42 R74 L75 L76 G82 M83	I20-C78 HydrophobicContact CD1-CB 4.48Å; F42-C78 HydrophobicContact CD2-CB 3.71Å; F42-C78 HydrophobicContact CE2-CB 4.2Å; R74-C78 PolarHBondContact O-N 3.22Å; R74-C78 PolarHBondContact O-SG 3.35Å; L75-C78 WeakPolarHBondContact O-CA 3.48Å; L75-C78 VanDerWaalsContact O-CB 3.31Å; L75-C78 WeakPolarHBondContact O-CB 3.45Å; L75-C78 PolarHBondContact O-N 3.47Å; L76-C78 VanDerWaalsContact C-N 3.31Å; L76-C78 PolarHBondContact O-N 3.42Å; C78-G82 PolarHBondContact O-N 3.31Å; C78-M83 HydrophobicContact CB-CB 4.3Å; C78-M83 HydrophobicContact CB-CG 4.14Å; C78-M83 HydrophobicContact CB-SD 3.67Å; C78-M83 VanDerWaalsContact O-CB 3.29Å; C78-M83 WeakPolarHBondContact O-CB 3.43Å; C78-M83 PolarHBondContact O-N 2.99Å; C78-M83 VanDerWaalsContact SG-SD 3.68Å
79	L	98.1	Very high	95.9	Very high	1 Å²	1	49.9 Å²	49.9	1%	0.005	22%	0.22	C	C	.	.	H	α-helix	trans	-67.4	-47	179.6	-64.1	168.8	0	0	0	111.3	F42 L75 L76 K77 M81 G82 I106 I111 I114 M115	F42-L79 HydrophobicContact CE2-CD2 3.88Å; F42-L79 HydrophobicContact CZ-CD2 4.36Å; L75-L79 HydrophobicContact CG-CD1 4.38Å; L75-L79 PolarHBondContact O-N 3.42Å; L76-L79 PolarHBondContact O-N 3.46Å; K77-L79 VanDerWaalsContact C-N 3.35Å; L79-M81 VanDerWaalsContact C-N 3.29Å; L79-M81 PolarHBondContact O-N 2.91Å; L79-G82 WeakPolarHBondContact O-CA 3.14Å; L79-G82 PolarHBondContact O-N 3.18Å; L79-I106 HydrophobicContact CB-CD1 4.26Å; L79-I106 HydrophobicContact CD2-CD1 3.96Å; L79-I106 WeakPolarHBondContact O-CD1 3.3Å; L79-I111 HydrophobicContact CB-CD1 4.24Å; L79-I111 HydrophobicContact CB-CG1 4.05Å; L79-I111 HydrophobicContact CB-CG2 4.45Å; L79-I111 HydrophobicContact CD1-CG2 4.13Å; L79-I114 HydrophobicContact CD1-CB 4.16Å; L79-I114 HydrophobicContact CD1-CD1 4.32Å; L79-I114 HydrophobicContact CD1-CG2 3.8Å; L79-I114 HydrophobicContact CD2-CD1 3.91Å; L79-I114 HydrophobicContact CD2-CG2 4.46Å; L79-M115 HydrophobicContact CD1-CG 4.17Å; L79-M115 HydrophobicContact CD1-SD 4.06Å
80	Q	97.6	Very high	95	Very high	123 Å²	123	50.5 Å²	50.5	58%	0.575	23%	0.231	S	C	*	.	H	α-helix	trans	-60.1	-35.8	178.1	-72.7	175.1	-29	0	0	113.3	L76 G82 I111	L76-Q80 HydrophobicContact CD1-CG 4.17Å; L76-Q80 HydrophobicContact CG-CG 4.45Å; L76-Q80 WeakPolarHBondContact O-CG 3.32Å; L76-Q80 PolarHBondContact O-N 3.38Å; Q80-G82 PolarHBondContact O-N 2.96Å; Q80-I111 HydrophobicContact CG-CD1 3.93Å
81	M	97.4	Very high	94	Very high	73 Å²	73	53.7 Å²	53.7	36%	0.36	25%	0.247	S	C	.	.	T	Hydrogen-bonded Turn	trans	-77.5	-4.7	175.7	-66.1	-51.9	-58.8	0	0	113.2	L19 I20 I32 K77 L79	L19-M81 HydrophobicContact CB-CE 4.08Å; L19-M81 HydrophobicContact CD1-CE 4.17Å; I20-M81 HydrophobicContact CD1-CB 3.83Å; I20-M81 HydrophobicContact CD1-CG 3.76Å; I32-M81 HydrophobicContact CD1-CB 3.84Å; I32-M81 WeakPolarHBondContact CG2-O 3.4Å; K77-M81 HydrophobicContact CG-CG 4.11Å; K77-M81 WeakPolarHBondContact O-CB 3.12Å; K77-M81 VanDerWaalsContact O-CG 3.22Å; K77-M81 WeakPolarHBondContact O-CG 3.47Å; K77-M81 PolarHBondContact O-N 2.82Å; L79-M81 VanDerWaalsContact C-N 3.29Å; L79-M81 PolarHBondContact O-N 2.91Å
82	G	96.6	Very high	92.7	Very high	1 Å²	1	51.3 Å²	51.3	1%	0.01	25%	0.249	C	C	.	.	T	Hydrogen-bonded Turn	trans	93.3	28.3	174.5	0	0	0	0	0	115.3	C78 L79 Q80 N84 V104	C78-G82 PolarHBondContact O-N 3.31Å; L79-G82 WeakPolarHBondContact O-CA 3.14Å; L79-G82 PolarHBondContact O-N 3.18Å; Q80-G82 PolarHBondContact O-N 2.96Å; G82-N84 PolarHBondContact O-N 3.48Å; G82-V104 WeakPolarHBondContact CA-O 3.09Å; G82-V104 PolarHBondContact O-N 3.44Å
83	M	96.8	Very high	91.6	Very high	0 Å²	0	55.4 Å²	55.4	0%	0	27%	0.271	C	S	.	.			trans	-65.4	117.6	168.5	-75.3	-164.5	167	0	0	110.6	I20 Y30 I32 S34 C38 F42 C78 R85	I20-M83 HydrophobicContact CG1-CE 4.15Å; Y30-M83 CarbonylContact O-C 3.22Å; Y30-M83 VanDerWaalsContact O-CA 3.32Å; Y30-M83 WeakPolarHBondContact O-CA 3.38Å; I32-M83 HydrophobicContact CD1-CE 3.78Å; I32-M83 HydrophobicContact CD1-CG 3.5Å; I32-M83 VanDerWaalsContact CD1-CG 3.5Å; I32-M83 HydrophobicContact CD1-SD 4.43Å; I32-M83 HydrophobicContact CG1-CE 3.83Å; I32-M83 HydrophobicContact CG1-CG 3.71Å; S34-M83 WeakPolarHBondContact OG-CE 3.34Å; C38-M83 HydrophobicContact CB-CE 4.36Å; F42-M83 HydrophobicContact CB-SD 3.62Å; F42-M83 HydrophobicContact CD1-CB 4.2Å; F42-M83 HydrophobicContact CD1-SD 4.04Å; F42-M83 HydrophobicContact CD2-CB 3.91Å; F42-M83 HydrophobicContact CD2-CG 4.45Å; F42-M83 HydrophobicContact CD2-SD 3.73Å; F42-M83 HydrophobicContact CE1-CB 3.89Å; F42-M83 HydrophobicContact CE2-CB 3.58Å; F42-M83 HydrophobicContact CE2-SD 4.4Å; F42-M83 HydrophobicContact CG-CB 4.21Å; F42-M83 HydrophobicContact CG-SD 3.52Å; F42-M83 VanDerWaalsContact CG-SD 3.52Å; F42-M83 HydrophobicContact CZ-CB 3.56Å; F42-M83 WeakPolarHBondContact CZ-O 3.04Å; C78-M83 HydrophobicContact CB-CB 4.3Å; C78-M83 HydrophobicContact CB-CG 4.14Å; C78-M83 HydrophobicContact CB-SD 3.67Å; C78-M83 VanDerWaalsContact O-CB 3.29Å; C78-M83 WeakPolarHBondContact O-CB 3.43Å; C78-M83 PolarHBondContact O-N 2.99Å; C78-M83 VanDerWaalsContact SG-SD 3.68Å; M83-R85 PolarHBondContact O-N 3.39Å
84	N	93.9	Very high	90.2	Very high	23 Å²	23	61.1 Å²	61.1	12%	0.123	31%	0.308	C	S	.	.			trans	-84.8	110.4	-175.8	-172.2	-9.4	0	0	0	111.7	Y30 G82 K86 A87 I101 V104	Y30-N84 PolarHBondContact O-N 2.86Å; G82-N84 PolarHBondContact O-N 3.48Å; N84-K86 VanDerWaalsContact C-N 3.25Å; N84-K86 PolarHBondContact O-N 3.11Å; N84-K86 WeakPolarHBondContact OD1-CA 3.21Å; N84-K86 VanDerWaalsContact OD1-CB 3.24Å; N84-K86 WeakPolarHBondContact OD1-CB 3.45Å; N84-K86 PolarHBondContact OD1-N 3.08Å; N84-A87 HydrophobicContact CB-CB 4.28Å; N84-A87 WeakPolarHBondContact O-CB 3.46Å; N84-A87 PolarHBondContact O-N 2.88Å; N84-I101 HydrophobicContact CB-CG2 4.27Å; N84-V104 HydrophobicContact CB-CG1 3.97Å; N84-V104 HydrophobicContact CB-CG2 3.73Å; N84-V104 WeakPolarHBondContact ND2-CG1 3.23Å
85	R	91.9	Very high	88.6	Confident	54 Å²	54	63.3 Å²	63.3	20%	0.204	33%	0.333	C	S	.	.	G	3₁₀ helix	trans	-60.4	-33.7	174.4	74.4	173.7	-177.5	-150.1	-9.5	112.9	F42 I46 M83 A87 I88 E110 I114 E119	F42-R85 HydrophobicContact CZ-CB 4.27Å; I46-R85 HydrophobicContact CD1-CB 4.4Å; I46-R85 HydrophobicContact CG1-CB 4.3Å; I46-R85 HydrophobicContact CG2-CB 3.98Å; M83-R85 PolarHBondContact O-N 3.39Å; R85-A87 PolarHBondContact O-N 3.07Å; R85-I88 VanDerWaalsContact O-CB 3.3Å; R85-I88 WeakPolarHBondContact O-CB 3.37Å; R85-I88 PolarHBondContact O-N 3.03Å; R85-E110 IonicContact CZ-OE1 3.3Å; R85-E110 VanDerWaalsContact CZ-OE1 3.3Å; R85-E110 IonicContact NE-OE1 3.93Å; R85-E110 IonicContact NH1-OE1 3.75Å; R85-E110 IonicContact NH2-OE1 2.8Å; R85-E110 PolarHBondContact NH2-OE1 3.26Å; R85-I114 VanDerWaalsContact NH1-CD1 3.35Å; R85-E119 IonicContact CZ-OE1 3.38Å; R85-E119 IonicContact CZ-OE2 3.53Å; R85-E119 IonicContact NH1-OE1 2.74Å; R85-E119 PolarHBondContact NH1-OE1 3.44Å; R85-E119 IonicContact NH1-OE2 2.59Å; R85-E119 PolarHBondContact NH1-OE2 2.96Å; R85-E119 IonicContact NH2-OE1 3.14Å; R85-E119 PolarHBondContact NH2-OE1 2.66Å; R85-E119 VanDerWaalsContact NH2-OE1 3.14Å
86	K	90.1	Very high	87	Confident	164 Å²	164	65.9 Å²	65.9	71%	0.713	36%	0.36	S	S	*	.	G	3₁₀ helix	trans	-68.7	-13.8	-178.6	-55.7	178.9	178.9	175.8	0	112.2	N84	N84-K86 VanDerWaalsContact C-N 3.25Å; N84-K86 PolarHBondContact O-N 3.11Å; N84-K86 WeakPolarHBondContact OD1-CA 3.21Å; N84-K86 VanDerWaalsContact OD1-CB 3.24Å; N84-K86 WeakPolarHBondContact OD1-CB 3.45Å; N84-K86 PolarHBondContact OD1-N 3.08Å
87	A	90.3	Very high	85.5	Confident	16 Å²	16	75.6 Å²	75.6	13%	0.132	40%	0.395	C	S	.	.	G	3₁₀ helix	trans	-79.1	-7.1	172.3	0	0	0	0	0	113.1	Y30 N84 R85 I101	Y30-A87 HydrophobicContact CD1-CB 4.1Å; N84-A87 HydrophobicContact CB-CB 4.28Å; N84-A87 WeakPolarHBondContact O-CB 3.46Å; N84-A87 PolarHBondContact O-N 2.88Å; R85-A87 PolarHBondContact O-N 3.07Å; A87-I101 HydrophobicContact CB-CD1 4.01Å; A87-I101 HydrophobicContact CB-CG2 4.43Å
88	I	89.6	Confident	83.7	Confident	23 Å²	23	76.6 Å²	76.6	12%	0.118	40%	0.404	C	S	.	.	S	Bend	trans	-85.2	120	172.8	-61.6	167.2	0	0	0	108	Y30 F42 K43 I46 C47 R85	Y30-I88 HydrophobicContact CD1-CG1 3.73Å; Y30-I88 HydrophobicContact CE1-CB 4.49Å; Y30-I88 HydrophobicContact CE1-CD1 4.38Å; Y30-I88 HydrophobicContact CE1-CG1 3.43Å; Y30-I88 VanDerWaalsContact CE1-CG1 3.43Å; F42-I88 HydrophobicContact CD1-CD1 3.97Å; F42-I88 HydrophobicContact CE1-CD1 3.8Å; K43-I88 HydrophobicContact CG-CG2 4.49Å; I46-I88 HydrophobicContact CB-CD1 3.65Å; I46-I88 HydrophobicContact CG1-CD1 3.93Å; I46-I88 HydrophobicContact CG2-CD1 3.83Å; C47-I88 VanDerWaalsContact SG-CG2 3.51Å; R85-I88 VanDerWaalsContact O-CB 3.3Å; R85-I88 WeakPolarHBondContact O-CB 3.37Å; R85-I88 PolarHBondContact O-N 3.03Å
89	R	85.3	Confident	82	Confident	134 Å²	134	84.6 Å²	84.6	51%	0.506	44%	0.438	S	S	.	.			trans	-84.5	136.6	174	-53.9	169.6	64.2	119	-0.8	109.9	D91	R89-D91 WeakPolarHBondContact CB-OD1 3.35Å; R89-D91 IonicContact CZ-OD2 3.01Å; R89-D91 IonicContact NE-OD1 3.38Å; R89-D91 PolarHBondContact NE-OD1 3.34Å; R89-D91 IonicContact NE-OD2 3.19Å; R89-D91 PolarHBondContact NE-OD2 2.99Å; R89-D91 VanDerWaalsContact NE-OD2 3.15Å; R89-D91 IonicContact NH2-OD2 3.02Å; R89-D91 PolarHBondContact NH2-OD2 3.07Å
90	E	79.2	Confident	80.2	Confident	199 Å²	199	90 Å²	90	93%	0.93	48%	0.476	S	S	*	.	T	Hydrogen-bonded Turn	trans	-75.2	-28.9	178.6	-63.3	-176.4	163.3	0	0	112.6	G92	E90-G92 PolarHBondContact O-N 3.34Å
91	D	78.1	Confident	79.1	Confident	79 Å²	79	86.4 Å²	86.4	42%	0.422	46%	0.46	S	S	.	.	T	Hydrogen-bonded Turn	trans	-64	-7.6	179.9	65.2	3.2	0	0	0	114.4	R89 M93	R89-D91 WeakPolarHBondContact CB-OD1 3.35Å; R89-D91 IonicContact CZ-OD2 3.01Å; R89-D91 IonicContact NE-OD1 3.38Å; R89-D91 PolarHBondContact NE-OD1 3.34Å; R89-D91 IonicContact NE-OD2 3.19Å; R89-D91 PolarHBondContact NE-OD2 2.99Å; R89-D91 VanDerWaalsContact NE-OD2 3.15Å; R89-D91 IonicContact NH2-OD2 3.02Å; R89-D91 PolarHBondContact NH2-OD2 3.07Å; D91-M93 HydrophobicContact CB-CG 4.11Å; D91-M93 PolarHBondContact O-N 3.14Å; D91-M93 PolarHBondContact OD1-N 2.8Å
92	G	72.1	Confident	78.4	Confident	50 Å²	50	84.6 Å²	84.6	52%	0.515	46%	0.461	S	S	.	.			trans	66.1	2.1	-179.2	0	0	0	0	0	114.2	E90	E90-G92 PolarHBondContact O-N 3.34Å
93	M	75.1	Confident	78	Confident	117 Å²	117	89 Å²	89	58%	0.576	49%	0.489	S	S	*	.			trans	-66.4	142.9	-176.2	-69.9	-66.2	147.2	0	0	110.1	D91 G95	D91-M93 HydrophobicContact CB-CG 4.11Å; D91-M93 PolarHBondContact O-N 3.14Å; D91-M93 PolarHBondContact OD1-N 2.8Å; M93-G95 PolarHBondContact O-N 2.59Å
94	P	69.1	Low	77.8	Confident	126 Å²	126	91.3 Å²	91.3	82%	0.818	50%	0.503	S	S	*	.			trans	-54.4	112.1	173.3	-23.2	32.9	0	0	0	109.5
95	G	65	Low	77.7	Confident	55 Å²	55	99.8 Å²	99.8	57%	0.567	54%	0.542	S	S	*	.			trans	-61.3	139.6	-179.1	0	0	0	0	0	111.2	M93	M93-G95 PolarHBondContact O-N 2.59Å
96	G	66.3	Low	77.8	Confident	56 Å²	56	98.7 Å²	98.7	58%	0.577	54%	0.54	S	S	*	.			trans	-66.7	169.1	167	0	0	0	0	0	111.6	N98	G96-N98 VanDerWaalsContact C-N 3.3Å; G96-N98 PolarHBondContact O-N 2.86Å; G96-N98 PolarHBondContact O-OD1 2.74Å
97	R	65.8	Low	78.1	Confident	229 Å²	229	93.5 Å²	93.5	86%	0.864	52%	0.524	S	S	*	.			trans	-73.4	83	172.8	-70.7	-177.8	-176.8	131.3	-3.9	110.1	K99	R97-K99 HydrophobicContact CB-CG 4.21Å; R97-K99 PolarHBondContact O-N 3.26Å
98	N	61.5	Low	78.3	Confident	86 Å²	86	100.4 Å²	100.4	46%	0.46	55%	0.554	S	S	.	*			trans	-75.6	74.1	169	33.2	-4.7	0	0	0	110	G96 S100 I101	G96-N98 VanDerWaalsContact C-N 3.3Å; G96-N98 PolarHBondContact O-N 2.86Å; G96-N98 PolarHBondContact O-OD1 2.74Å; N98-S100 PolarHBondContact O-N 2.83Å; N98-I101 HydrophobicContact CB-CD1 3.88Å; N98-I101 HydrophobicContact CB-CG1 4.22Å; N98-I101 VanDerWaalsContact ND2-CD1 3.3Å; N98-I101 WeakPolarHBondContact ND2-CD1 3.32Å
99	K	61.8	Low	78.5	Confident	168 Å²	168	105 Å²	105	73%	0.73	58%	0.575	S	S	*	*	T	Hydrogen-bonded Turn	trans	-65.8	-15.4	179.2	-56.6	-179.7	-175.5	-179.3	0	113.5	R97	R97-K99 HydrophobicContact CB-CG 4.21Å; R97-K99 PolarHBondContact O-N 3.26Å
100	S	61.2	Low	79	Confident	114 Å²	114	100.5 Å²	100.5	80%	0.797	56%	0.56	S	S	*	*	T	Hydrogen-bonded Turn	trans	-86.8	-7.9	-176.3	53.2	0	0	0	0	114.4	N98 G102	N98-S100 PolarHBondContact O-N 2.83Å; S100-G102 PolarHBondContact O-N 3.46Å
101	I	73.9	Confident	79.8	Confident	47 Å²	47	91.8 Å²	91.8	24%	0.241	52%	0.519	C	S	.	.			trans	-88.8	100.9	177	-54.4	176.4	0	0	0	106.5	G31 N84 A87 N98	G31-I101 VanDerWaalsContact CA-O 3.32Å; G31-I101 WeakPolarHBondContact CA-O 3.33Å; N84-I101 HydrophobicContact CB-CG2 4.27Å; A87-I101 HydrophobicContact CB-CD1 4.01Å; A87-I101 HydrophobicContact CB-CG2 4.43Å; N98-I101 HydrophobicContact CB-CD1 3.88Å; N98-I101 HydrophobicContact CB-CG1 4.22Å; N98-I101 VanDerWaalsContact ND2-CD1 3.3Å; N98-I101 WeakPolarHBondContact ND2-CD1 3.32Å
102	G	82.6	Confident	80.5	Confident	36 Å²	36	94.7 Å²	94.7	37%	0.371	53%	0.53	S	S	.	.			trans	-82.4	-174.5	171.2	0	0	0	0	0	112.5	G31 S100 V104	G31-G102 WeakPolarHBondContact CA-O 3.39Å; G31-G102 CarbonylContact O-C 3.59Å; S100-G102 PolarHBondContact O-N 3.46Å; G102-V104 PolarHBondContact O-N 3.4Å
103	P	87.8	Confident	81.6	Confident	94 Å²	94	97.1 Å²	97.1	61%	0.61	52%	0.524	S	S	*	.	P	Polyproline II helix	trans	-58.6	134.3	171.1	-18	29.6	0	0	0	109.6	G31 I32	G31-P103 WeakPolarHBondContact O-CD 3.3Å; I32-P103 HydrophobicContact CG2-CB 3.96Å; I32-P103 HydrophobicContact CG2-CG 4.11Å
104	V	92.8	Very high	82.4	Confident	47 Å²	47	92.4 Å²	92.4	29%	0.285	50%	0.501	S	S	.	.	P	Polyproline II helix	trans	-97.4	142.8	174.9	-67.8	0	0	0	0	110.2	G82 N84 G102 I106	G82-V104 WeakPolarHBondContact CA-O 3.09Å; G82-V104 PolarHBondContact O-N 3.44Å; N84-V104 HydrophobicContact CB-CG1 3.97Å; N84-V104 HydrophobicContact CB-CG2 3.73Å; N84-V104 WeakPolarHBondContact ND2-CG1 3.23Å; G102-V104 PolarHBondContact O-N 3.4Å; V104-I106 HydrophobicContact CG2-CD1 3.99Å; V104-I106 HydrophobicContact CG2-CG1 3.73Å
105	Q	92.8	Very high	83.7	Confident	201 Å²	201	87 Å²	87	94%	0.939	46%	0.464	S	S	*	.	P	Polyproline II helix	trans	-80	117.7	166	-61.9	-161.6	36.9	0	0	108
106	I	93.8	Very high	85	Confident	31 Å²	31	86.6 Å²	86.6	16%	0.159	45%	0.453	C	S	.	.			trans	-108.2	125.1	178.1	-50.4	-178.9	0	0	0	106.3	L79 V104 E110 I111	L79-I106 HydrophobicContact CB-CD1 4.26Å; L79-I106 HydrophobicContact CD2-CD1 3.96Å; L79-I106 WeakPolarHBondContact O-CD1 3.3Å; V104-I106 HydrophobicContact CG2-CD1 3.99Å; V104-I106 HydrophobicContact CG2-CG1 3.73Å; I106-E110 HydrophobicContact CG2-CB 3.81Å; I106-E110 HydrophobicContact CG2-CG 3.69Å; I106-I111 HydrophobicContact CB-CD1 4.41Å; I106-I111 HydrophobicContact CB-CG1 4.1Å; I106-I111 HydrophobicContact CG2-CD1 4.45Å; I106-I111 HydrophobicContact CG2-CG1 3.63Å
107	S	96.1	Very high	85.9	Confident	56 Å²	56	84.8 Å²	84.8	39%	0.392	44%	0.435	S	S	.	.			trans	-67.4	154.8	179.7	87.5	0	0	0	0	110.9	E109 E110 I111	S107-E109 WeakPolarHBondContact CB-OE2 3.45Å; S107-E109 PolarHBondContact O-N 3.48Å; S107-E109 PolarHBondContact OG-OE2 3Å; S107-E110 PolarHBondContact O-N 3.38Å; S107-E110 VanDerWaalsContact O-N 3.11Å; S107-E110 PolarHBondContact OG-N 2.75Å; S107-I111 WeakPolarHBondContact O-CG1 3.3Å; S107-I111 PolarHBondContact O-N 3.15Å
108	E	94.4	Very high	86.4	Confident	160 Å²	160	80 Å²	80	75%	0.748	42%	0.422	S	S	*	.	H	α-helix	trans	-60.3	-36	-179.3	-66.4	-172.5	170.4	0	0	111.7	I111 E112	E108-I111 PolarHBondContact O-N 2.82Å; E108-E112 PolarHBondContact O-N 3.22Å
109	E	95	Very high	86.5	Confident	120 Å²	120	78.1 Å²	78.1	56%	0.561	41%	0.411	S	S	*	.	H	α-helix	trans	-66.6	-38.4	176.7	-50.3	76.7	-166.2	0	0	111.5	S107 E112 R113	S107-E109 WeakPolarHBondContact CB-OE2 3.45Å; S107-E109 PolarHBondContact O-N 3.48Å; S107-E109 PolarHBondContact OG-OE2 3Å; E109-E112 PolarHBondContact O-N 3.43Å; E109-R113 WeakPolarHBondContact O-CG 3.39Å; E109-R113 PolarHBondContact O-N 2.86Å
110	E	94.1	Very high	86.2	Confident	40 Å²	40	73.9 Å²	73.9	19%	0.187	39%	0.392	C	S	.	.	H	α-helix	trans	-68	-40.8	174	-179.3	168.2	-160.3	0	0	111.6	R85 I106 S107 E112 R113 I114	R85-E110 IonicContact CZ-OE1 3.3Å; R85-E110 VanDerWaalsContact CZ-OE1 3.3Å; R85-E110 IonicContact NE-OE1 3.93Å; R85-E110 IonicContact NH1-OE1 3.75Å; R85-E110 IonicContact NH2-OE1 2.8Å; R85-E110 PolarHBondContact NH2-OE1 3.26Å; I106-E110 HydrophobicContact CG2-CB 3.81Å; I106-E110 HydrophobicContact CG2-CG 3.69Å; S107-E110 PolarHBondContact O-N 3.38Å; S107-E110 VanDerWaalsContact O-N 3.11Å; S107-E110 PolarHBondContact OG-N 2.75Å; E110-E112 VanDerWaalsContact C-N 3.3Å; E110-E112 PolarHBondContact O-N 3.08Å; E110-R113 PolarHBondContact O-N 3.25Å; E110-I114 HydrophobicContact CG-CD1 3.95Å; E110-I114 HydrophobicContact CG-CG1 4.49Å; E110-I114 VanDerWaalsContact O-CG1 3.27Å; E110-I114 WeakPolarHBondContact O-CG1 3.46Å; E110-I114 PolarHBondContact O-N 3.24Å
111	I	95.8	Very high	85.9	Confident	16 Å²	16	75.8 Å²	75.8	8%	0.082	39%	0.389	C	S	.	.	H	α-helix	trans	-59.1	-45.3	174	-65.9	179.3	0	0	0	110.1	L76 L79 Q80 I106 S107 E108 I114 M115	L76-I111 HydrophobicContact CD1-CG2 3.5Å; L76-I111 VanDerWaalsContact CD1-CG2 3.5Å; L79-I111 HydrophobicContact CB-CD1 4.24Å; L79-I111 HydrophobicContact CB-CG1 4.05Å; L79-I111 HydrophobicContact CB-CG2 4.45Å; L79-I111 HydrophobicContact CD1-CG2 4.13Å; Q80-I111 HydrophobicContact CG-CD1 3.93Å; I106-I111 HydrophobicContact CB-CD1 4.41Å; I106-I111 HydrophobicContact CB-CG1 4.1Å; I106-I111 HydrophobicContact CG2-CD1 4.45Å; I106-I111 HydrophobicContact CG2-CG1 3.63Å; S107-I111 WeakPolarHBondContact O-CG1 3.3Å; S107-I111 PolarHBondContact O-N 3.15Å; E108-I111 PolarHBondContact O-N 2.82Å; I111-I114 PolarHBondContact O-N 3.23Å; I111-M115 HydrophobicContact CG2-CG 4.15Å; I111-M115 WeakPolarHBondContact O-CB 3.44Å; I111-M115 WeakPolarHBondContact O-CG 3.3Å; I111-M115 PolarHBondContact O-N 3.44Å
112	E	94.6	Very high	84.8	Confident	140 Å²	140	81 Å²	81	65%	0.654	41%	0.412	S	S	*	.	H	α-helix	trans	-61.6	-46.6	178.8	-173.2	168.2	-157	0	0	111.8	E108 E109 E110 I114 M115 S116	E108-E112 PolarHBondContact O-N 3.22Å; E109-E112 PolarHBondContact O-N 3.43Å; E110-E112 VanDerWaalsContact C-N 3.3Å; E110-E112 PolarHBondContact O-N 3.08Å; E112-I114 VanDerWaalsContact C-N 3.35Å; E112-I114 PolarHBondContact O-N 3.45Å; E112-M115 PolarHBondContact O-N 3.03Å; E112-S116 WeakPolarHBondContact O-CB 3.24Å; E112-S116 PolarHBondContact O-N 2.8Å; E112-S116 PolarHBondContact O-OG 3.23Å
113	R	93.4	Very high	83.1	Confident	101 Å²	101	84.8 Å²	84.8	38%	0.381	42%	0.42	S	S	.	.	H	α-helix	trans	-58.3	-42.5	176.1	-74.1	-174.9	-61.9	110.5	1.2	112.9	E109 E110 S116 G117 Q118 E119	E109-R113 WeakPolarHBondContact O-CG 3.39Å; E109-R113 PolarHBondContact O-N 2.86Å; E110-R113 PolarHBondContact O-N 3.25Å; R113-S116 PolarHBondContact O-OG 3.01Å; R113-S116 VanDerWaalsContact O-OG 3.11Å; R113-G117 PolarHBondContact O-N 3.19Å; R113-Q118 PolarHBondContact O-N 2.76Å; R113-E119 HydrophobicContact CB-CG 4.11Å; R113-E119 IonicContact CZ-OE1 3.75Å; R113-E119 IonicContact NH1-OE1 2.74Å; R113-E119 PolarHBondContact NH1-OE1 3.34Å
114	I	93.4	Very high	81.4	Confident	18 Å²	18	83.2 Å²	83.2	9%	0.092	42%	0.415	C	S	.	.	H	α-helix	trans	-65	-44.5	176.5	-67.1	164.8	0	0	0	110.8	I46 L79 R85 E110 I111 E112 G117	I46-I114 HydrophobicContact CD1-CG2 4.12Å; L79-I114 HydrophobicContact CD1-CB 4.16Å; L79-I114 HydrophobicContact CD1-CD1 4.32Å; L79-I114 HydrophobicContact CD1-CG2 3.8Å; L79-I114 HydrophobicContact CD2-CD1 3.91Å; L79-I114 HydrophobicContact CD2-CG2 4.46Å; R85-I114 VanDerWaalsContact NH1-CD1 3.35Å; E110-I114 HydrophobicContact CG-CD1 3.95Å; E110-I114 HydrophobicContact CG-CG1 4.49Å; E110-I114 VanDerWaalsContact O-CG1 3.27Å; E110-I114 WeakPolarHBondContact O-CG1 3.46Å; E110-I114 PolarHBondContact O-N 3.24Å; I111-I114 PolarHBondContact O-N 3.23Å; E112-I114 VanDerWaalsContact C-N 3.35Å; E112-I114 PolarHBondContact O-N 3.45Å; I114-G117 PolarHBondContact O-N 3.23Å
115	M	95.2	Very high	79.3	Confident	11 Å²	11	86.2 Å²	86.2	5%	0.054	43%	0.429	C	S	.	.	H	α-helix	trans	-73	-27.8	-175.4	-70.7	-64.3	-56.4	0	0	112.8	Y72 L75 L79 I111 E112	Y72-M115 HydrophobicContact CD1-CE 4.32Å; Y72-M115 HydrophobicContact CD2-CE 3.11Å; Y72-M115 HydrophobicContact CE1-CE 4.35Å; Y72-M115 HydrophobicContact CE2-CE 3.18Å; Y72-M115 HydrophobicContact CG-CE 3.74Å; L75-M115 HydrophobicContact CB-CE 4.47Å; L75-M115 HydrophobicContact CB-SD 4.02Å; L75-M115 HydrophobicContact CD2-CE 4.45Å; L75-M115 HydrophobicContact CD2-SD 3.61Å; L75-M115 HydrophobicContact CG-SD 3.67Å; L79-M115 HydrophobicContact CD1-CG 4.17Å; L79-M115 HydrophobicContact CD1-SD 4.06Å; I111-M115 HydrophobicContact CG2-CG 4.15Å; I111-M115 WeakPolarHBondContact O-CB 3.44Å; I111-M115 WeakPolarHBondContact O-CG 3.3Å; I111-M115 PolarHBondContact O-N 3.44Å; E112-M115 PolarHBondContact O-N 3.03Å
116	S	92.6	Very high	77	Confident	48 Å²	48	83.8 Å²	83.8	34%	0.336	42%	0.418	S	S	.	.	H	α-helix	trans	-82.9	-22	176.4	68.3	0	0	0	0	113.2	E112 R113 Q118	E112-S116 WeakPolarHBondContact O-CB 3.24Å; E112-S116 PolarHBondContact O-N 2.8Å; E112-S116 PolarHBondContact O-OG 3.23Å; R113-S116 PolarHBondContact O-OG 3.01Å; R113-S116 VanDerWaalsContact O-OG 3.11Å; S116-Q118 VanDerWaalsContact C-N 3.35Å; S116-Q118 VanDerWaalsContact OG-CD 3.29Å; S116-Q118 VanDerWaalsContact OG-CG 3.3Å; S116-Q118 WeakPolarHBondContact OG-CG 3.1Å; S116-Q118 PolarHBondContact OG-N 3.02Å; S116-Q118 PolarHBondContact OG-OE1 2.99Å
117	G	86.5	Confident	74.7	Confident	18 Å²	18	91.4 Å²	91.4	19%	0.186	45%	0.445	C	S	.	.	T	Hydrogen-bonded Turn	trans	79.2	14.6	-177.4	0	0	0	0	0	114.2	R113 I114 E119 F120	R113-G117 PolarHBondContact O-N 3.19Å; I114-G117 PolarHBondContact O-N 3.23Å; G117-E119 VanDerWaalsContact C-N 3.27Å; G117-E119 PolarHBondContact O-N 2.86Å; G117-F120 WeakPolarHBondContact O-CD2 3.2Å
118	Q	75.7	Confident	72.3	Confident	128 Å²	128	93.2 Å²	93.2	60%	0.598	46%	0.457	S	S	*	.	G	3₁₀ helix	trans	-71.2	-15.1	-176.4	-75.7	168.6	-41.5	0	0	114.3	R113 S116 F120	R113-Q118 PolarHBondContact O-N 2.76Å; S116-Q118 VanDerWaalsContact C-N 3.35Å; S116-Q118 VanDerWaalsContact OG-CD 3.29Å; S116-Q118 VanDerWaalsContact OG-CG 3.3Å; S116-Q118 WeakPolarHBondContact OG-CG 3.1Å; S116-Q118 PolarHBondContact OG-N 3.02Å; S116-Q118 PolarHBondContact OG-OE1 2.99Å; Q118-F120 PolarHBondContact O-N 3.17Å; Q118-F120 VanDerWaalsContact O-N 3.1Å
119	E	64.1	Low	70.1	Confident	47 Å²	47	92 Å²	92	22%	0.22	46%	0.455	C	S	.	.	G	3₁₀ helix	trans	-71.8	0.2	-177.3	-67	-174.9	141.6	0	0	115.1	R85 R113 G117	R85-E119 IonicContact CZ-OE1 3.38Å; R85-E119 IonicContact CZ-OE2 3.53Å; R85-E119 IonicContact NH1-OE1 2.74Å; R85-E119 PolarHBondContact NH1-OE1 3.44Å; R85-E119 IonicContact NH1-OE2 2.59Å; R85-E119 PolarHBondContact NH1-OE2 2.96Å; R85-E119 IonicContact NH2-OE1 3.14Å; R85-E119 PolarHBondContact NH2-OE1 2.66Å; R85-E119 VanDerWaalsContact NH2-OE1 3.14Å; R113-E119 HydrophobicContact CB-CG 4.11Å; R113-E119 IonicContact CZ-OE1 3.75Å; R113-E119 IonicContact NH1-OE1 2.74Å; R113-E119 PolarHBondContact NH1-OE1 3.34Å; G117-E119 VanDerWaalsContact C-N 3.27Å; G117-E119 PolarHBondContact O-N 2.86Å
120	F	55.1	Low	68.1	Low	78 Å²	78	95.4 Å²	95.4	34%	0.342	47%	0.471	S	S	.	.	G	3₁₀ helix	trans	-106.3	-3.3	-172.7	-56	-56.6	0	0	0	115.5	K49 G117 Q118	K49-F120 HydrophobicContact CB-CD2 3.89Å; K49-F120 HydrophobicContact CB-CE1 4.39Å; K49-F120 HydrophobicContact CB-CE2 3.35Å; K49-F120 HydrophobicContact CB-CZ 3.62Å; K49-F120 HydrophobicContact CD-CB 4.45Å; K49-F120 HydrophobicContact CD-CD1 3.37Å; K49-F120 HydrophobicContact CD-CD2 3.7Å; K49-F120 HydrophobicContact CD-CE1 3.31Å; K49-F120 HydrophobicContact CD-CE2 3.68Å; K49-F120 HydrophobicContact CD-CG 3.54Å; K49-F120 HydrophobicContact CD-CZ 3.47Å; K49-F120 VanDerWaalsContact CD-CZ 3.47Å; K49-F120 HydrophobicContact CG-CD1 4.15Å; K49-F120 HydrophobicContact CG-CD2 4.05Å; K49-F120 HydrophobicContact CG-CE1 3.59Å; K49-F120 HydrophobicContact CG-CE2 3.52Å; K49-F120 HydrophobicContact CG-CG 4.34Å; K49-F120 HydrophobicContact CG-CZ 3.24Å; G117-F120 WeakPolarHBondContact O-CD2 3.2Å; Q118-F120 PolarHBondContact O-N 3.17Å; Q118-F120 VanDerWaalsContact O-N 3.1Å
121	E	54.6	Low	65.9	Low	155 Å²	155	96.3 Å²	96.3	72%	0.724	49%	0.491	S	S	*	.	S	Bend	trans	-90.2	-21.6	177.9	-68.2	-170.5	154.9	0	0	113	E123	E121-E123 PolarHBondContact O-N 3.2Å
122	E	50.2	Low	63.8	Low	157 Å²	157	102.8 Å²	102.8	73%	0.734	53%	0.526	S	S	*	.	H	α-helix	trans	-74.7	-24.4	-177.1	-77.4	-178.6	157.6	0	0	114.1	A124 N125	E122-A124 VanDerWaalsContact C-N 3.32Å; E122-A124 PolarHBondContact O-N 2.96Å; E122-N125 PolarHBondContact O-N 3.01Å
123	E	47.5	Very low	61.7	Low	115 Å²	115	100.9 Å²	100.9	54%	0.537	53%	0.528	S	S	.	.	H	α-helix	trans	-72.9	-25.8	179.3	-137.3	-176.4	157.7	0	0	112.4	E121 W127	E121-E123 PolarHBondContact O-N 3.2Å; E123-W127 HydrophobicContact CB-CZ3 4.31Å; E123-W127 HydrophobicContact CG-CH2 4.04Å; E123-W127 HydrophobicContact CG-CZ3 3.85Å; E123-W127 WeakPolarHBondContact O-CZ3 3.43Å; E123-W127 WeakPolarHBondContact OE1-CH2 3.29Å
124	A	52.3	Low	59.8	Low	61 Å²	61	103.3 Å²	103.3	50%	0.504	55%	0.549	S	S	.	.	H	α-helix	trans	-73.3	-28.9	176.2	0	0	0	0	0	112.8	E122 S128	E122-A124 VanDerWaalsContact C-N 3.32Å; E122-A124 PolarHBondContact O-N 2.96Å; A124-S128 PolarHBondContact O-OG 2.99Å
125	N	48.3	Very low	57.9	Low	109 Å²	109	109.6 Å²	109.6	58%	0.583	58%	0.577	S	S	*	*	H	α-helix	trans	-82.2	-14.7	-178.2	-73.6	-28	0	0	0	113.7	E122 N129	E122-N125 PolarHBondContact O-N 3.01Å; N125-N129 PolarHBondContact O-ND2 3.37Å
126	H	43.8	Very low	55.4	Low	151 Å²	151	114.7 Å²	114.7	70%	0.699	61%	0.614	S	S	*	*	H	α-helix	trans	-81.2	-33.6	178.3	-168.4	61.4	0	0	0	112.8	S128	H126-S128 VanDerWaalsContact C-N 3.34Å
127	W	45.5	Very low	53.2	Low	191 Å²	191	118.1 Å²	118.1	72%	0.723	64%	0.638	S	S	*	*	H	α-helix	trans	-76.5	-16.8	175.8	-76.3	-61.2	0	0	0	114.2	E123	E123-W127 HydrophobicContact CB-CZ3 4.31Å; E123-W127 HydrophobicContact CG-CH2 4.04Å; E123-W127 HydrophobicContact CG-CZ3 3.85Å; E123-W127 WeakPolarHBondContact O-CZ3 3.43Å; E123-W127 WeakPolarHBondContact OE1-CH2 3.29Å
128	S	46.6	Very low	51.6	Low	93 Å²	93	123.4 Å²	123.4	65%	0.65	67%	0.669	S	S	*	*	T	Hydrogen-bonded Turn	trans	-84.1	-7.1	-179.1	-59.7	0	0	0	0	115.1	A124 H126	A124-S128 PolarHBondContact O-OG 2.99Å; H126-S128 VanDerWaalsContact C-N 3.34Å
129	N	47.2	Very low	49.8	Very low	134 Å²	134	120.7 Å²	120.7	72%	0.717	68%	0.675	S	S	*	*	T	Hydrogen-bonded Turn	trans	-105.4	3.2	-173.3	-80	-66.9	0	0	0	115.4	N125	N125-N129 PolarHBondContact O-ND2 3.37Å
130	H	53.5	Low	48.6	Very low	193 Å²	193	126.1 Å²	126.1	89%	0.894	71%	0.706	S	S	*	*	S	Bend	trans	-109.7	63.5	167.9	-99.9	-66.4	0	0	0	110.3
131	G	48.6	Very low	47.7	Very low	58 Å²	58	133.9 Å²	133.9	60%	0.598	73%	0.733	S	S	*	*			trans	-137.5	116.8	168.6	0	0	0	0	0	109.6
132	D	51.5	Low	46.7	Very low	153 Å²	153	130.7 Å²	130.7	82%	0.818	73%	0.733	S	S	*	*			trans	76.8	116.2	161.8	-60.4	-29.3	0	0	0	120.8
133	S	50.9	Low	46.4	Very low	99 Å²	99	128.3 Å²	128.3	69%	0.692	73%	0.733	S	S	*	*			trans	-159	86.9	143.5	-79.3	0	0	0	0	109.6
134	D	52.7	Low	45.9	Very low	153 Å²	153	131.2 Å²	131.2	82%	0.818	75%	0.747	S	S	*	*			trans	-62.4	120.8	163.3	-86.2	-38	0	0	0	110.8
135	H	52.5	Low	45.2	Very low	150 Å²	150	132.7 Å²	132.7	69%	0.694	75%	0.754	S	S	*	*			trans	-138.8	97	165.1	-41.2	-47	0	0	0	111.8
136	S	43.4	Very low	44.6	Very low	117 Å²	117	135.4 Å²	135.4	82%	0.818	77%	0.768	S	S	*	*			trans	54.6	112.7	134.2	-51.1	0	0	0	0	121.1
137	S	47.3	Very low	44.3	Very low	121 Å²	121	136 Å²	136	85%	0.846	77%	0.771	S	S	*	*			trans	-66.9	155.3	153.3	-50.9	0	0	0	0	112.3
138	P	51.3	Low	44.2	Very low	128 Å²	128	132.5 Å²	132.5	83%	0.831	77%	0.773	S	S	*	*				-141.6	134.6	127.8	33.9	-18.1	0	0	0	114.8
139	G	38.4	Very low	43.8	Very low	71 Å²	71	132.7 Å²	132.7	73%	0.732	78%	0.775	S	S	*	*				81.1	124.6	124.5	0	0	0	0	0	122.4
140	N	39.8	Very low	44.1	Very low	162 Å²	162	132.7 Å²	132.7	87%	0.866	78%	0.782	S	S	*	*			trans	97.6	97	142.4	-72.3	-2	0	0	0	122.4
141	R	35.6	Very low	43	Very low	241 Å²	241	126.7 Å²	126.7	91%	0.909	77%	0.773	S	S	*	*				44.6	110.7	111.6	-160.6	179.4	-162.1	-173.4	4.1	119.3
142	A	34	Very low	42.2	Very low	87 Å²	87	129.1 Å²	129.1	72%	0.719	78%	0.78	S	S	*	*				167.1	132.3	107.3	0	0	0	0	0	113.6
143	S	43.4	Very low	41.4	Very low	107 Å²	107	128 Å²	128	75%	0.748	78%	0.779	S	S	*	*			trans	55.8	138.3	138.4	-52.1	0	0	0	0	124.8
144	E	36.3	Very low	40.5	Very low	176 Å²	176	131.3 Å²	131.3	82%	0.822	79%	0.788	S	S	*	*			trans	95.4	102.1	146.6	-77.7	168.7	104.9	0	0	121.1
145	S	37.8	Very low	39.5	Very low	93 Å²	93	130 Å²	130	65%	0.65	79%	0.791	S	S	*	*				49.2	104.9	120.3	-41.7	0	0	0	0	119.8
146	N	36.6	Very low	38.6	Very low	166 Å²	166	127.5 Å²	127.5	89%	0.888	79%	0.791	S	S	*	*				155.3	130.8	114.6	-79.1	-34.1	0	0	0	112.2
147	Q	37.2	Very low	38.9	Very low	162 Å²	162	126.6 Å²	126.6	76%	0.757	78%	0.784	S	S	*	*			trans	-73.5	166.1	159.7	-74	-74.9	-31.3	0	0	109.7
148	P	43.7	Very low	38.3	Very low	119 Å²	119	132.3 Å²	132.3	77%	0.773	79%	0.787	S	S	*	*			cis	-137	168.1	21.9	31.8	-8.3	0	0	0	118.2
149	S	38.8	Very low	38	Very low	97 Å²	97	131.4 Å²	131.4	68%	0.678	78%	0.784	S	S	*	*			trans	-39.6	178	167.3	-50.4	0	0	0	0	117.6
150	P	52.8	Low	38.1	Very low	133 Å²	133	135.1 Å²	135.1	86%	0.864	79%	0.792	S	S	*	*			cis	-145.6	173.7	16.4	40.2	-18.8	0	0	0	118.9
151	G	30.3	Very low	38.4	Very low	68 Å²	68	135.9 Å²	135.9	70%	0.701	79%	0.79	S	S	*	*			trans	152.2	99.3	151.7	0	0	0	0	0	118.1
152	S	32.7	Very low	38.7	Very low	109 Å²	109	131 Å²	131	76%	0.762	78%	0.782	S	S	*	*			trans	64.9	103	144.1	-45.8	0	0	0	0	120.1
153	T	34.3	Very low	38.9	Very low	128 Å²	128	134.1 Å²	134.1	79%	0.785	79%	0.786	S	S	*	*				55.9	120.2	95.7	64.5	0	0	0	0	114
154	L	32.5	Very low	38.3	Very low	170 Å²	170	132.8 Å²	132.8	89%	0.89	79%	0.789	S	S	*	*			cis	-154.7	145.6	40.3	-83.8	123.2	0	0	0	111.2
155	S	31.3	Very low	38.5	Very low	125 Å²	125	134 Å²	134	87%	0.874	79%	0.792	S	S	*	*			trans	-102.2	142.9	167.4	-96.3	0	0	0	0	112.6
156	S	33.4	Very low	38.7	Very low	98 Å²	98	138 Å²	138	69%	0.685	80%	0.803	S	S	*	*			trans	-68.4	153.4	171.3	-166.4	0	0	0	0	113.5
157	S	49.3	Very low	38.8	Very low	97 Å²	97	134.1 Å²	134.1	68%	0.678	79%	0.794	S	S	*	*			trans	54.5	134.1	139.5	-58.2	0	0	0	0	121.6
158	R	34.8	Very low	38.6	Very low	241 Å²	241	135.5 Å²	135.5	91%	0.909	80%	0.798	S	S	*	*			trans	-160.9	100.7	141.1	-44.2	-177.4	-172.1	-169.4	1.9	106.4
159	S	45.1	Very low	38.4	Very low	109 Å²	109	140.5 Å²	140.5	76%	0.762	80%	0.801	S	S	*	*				38.5	121.2	72.2	-94	0	0	0	0	115.7
160	V	40.4	Very low	38.2	Very low	150 Å²	150	141.3 Å²	141.3	91%	0.909	80%	0.798	S	S	*	*				-158.8	142.8	127.3	-83.3	0	0	0	0	110
161	E	47	Very low	37.5	Very low	177 Å²	177	143.5 Å²	143.5	83%	0.827	80%	0.797	S	S	*	*			trans	-85	172	-171.3	-56.9	171.9	100.7	0	0	113.2
162	L	40.3	Very low	37.8	Very low	140 Å²	140	151.1 Å²	151.1	73%	0.733	81%	0.806	S	S	*	*				147.6	124.2	113.1	-155.5	75.6	0	0	0	114
163	N	38.9	Very low	38.1	Very low	151 Å²	151	155.3 Å²	155.3	81%	0.807	82%	0.816	S	S	*	*			trans	45.4	135.3	149.8	-61.1	-3	0	0	0	123.4
164	G	31.6	Very low	38.6	Very low	79 Å²	79	152.6 Å²	152.6	81%	0.814	81%	0.813	S	S	*	*			trans	149.7	117.8	148.7	0	0	0	0	0	116.5
165	F	39.6	Very low	38.8	Very low	201 Å²	201	153.2 Å²	153.2	88%	0.882	81%	0.813	S	S	*	*			trans	-64.2	146	174.5	-94.9	-109	0	0	0	114.2
166	M	43	Very low	39	Very low	179 Å²	179	153.3 Å²	153.3	88%	0.882	81%	0.814	S	S	*	*			trans	38.5	94.5	150.6	-66	-168.9	148.5	0	0	119.2
167	A	37.7	Very low	39.6	Very low	84 Å²	84	155 Å²	155	69%	0.694	82%	0.819	S	S	*	*			trans	-175.5	115	137.3	0	0	0	0	0	107.6
168	F	33.7	Very low	39.2	Very low	191 Å²	191	155.8 Å²	155.8	84%	0.838	82%	0.823	S	S	*	*			trans	-174.1	70.4	146	-93.4	-63.8	0	0	0	108.3
169	R	38.6	Very low	39.7	Very low	223 Å²	223	150.2 Å²	150.2	84%	0.842	82%	0.818	S	S	*	*			trans	-70.2	141.9	140.4	172.7	178.3	141.1	-177.8	-5.6	106.1
170	D	35.4	Very low	39.6	Very low	115 Å²	115	152.5 Å²	152.5	62%	0.615	82%	0.816	S	S	*	*			trans	74.2	94.3	177.3	-76.7	-64.7	0	0	0	117.1
171	Q	36.7	Very low	39.4	Very low	179 Å²	179	155.1 Å²	155.1	84%	0.836	81%	0.811	S	S	*	*				176.4	93.3	128.3	-95.2	162.7	73.1	0	0	111.6
172	Y	36.7	Very low	39.4	Very low	228 Å²	228	156 Å²	156	89%	0.894	82%	0.815	S	S	*	*			trans	-153.9	83.7	132.3	70.7	-82.8	0	0	0	108.6
173	M	39.9	Very low	39.4	Very low	197 Å²	197	159.1 Å²	159.1	97%	0.97	82%	0.819	S	S	*	*			trans	-71.9	128.5	157.3	-91.1	-78.3	174.9	0	0	108
174	G	45	Very low	39.5	Very low	70 Å²	70	158 Å²	158	72%	0.722	81%	0.811	S	S	*	*			trans	99.5	81.8	148.5	0	0	0	0	0	117.6
175	M	35.6	Very low	40.7	Very low	184 Å²	184	159.1 Å²	159.1	91%	0.906	80%	0.804	S	S	*	*			trans	-136.1	129.5	141.8	-70.1	-175.3	70.6	0	0	109.4
176	S	35.8	Very low	40.8	Very low	126 Å²	126	157.6 Å²	157.6	88%	0.881	80%	0.799	S	S	*	*	P	Polyproline II helix	trans	-68.2	135.3	-169.9	39.1	0	0	0	0	113.6
177	V	45.9	Very low	40.8	Very low	133 Å²	133	156.3 Å²	156.3	81%	0.806	80%	0.795	S	S	*	*	P	Polyproline II helix	trans	-102.8	137.4	174.9	-167.7	0	0	0	0	109
178	P	40.6	Very low	40.7	Very low	115 Å²	115	160.8 Å²	160.8	75%	0.747	80%	0.8	S	S	*	*	P	Polyproline II helix	trans	-72.3	146.1	179.3	-14.1	28.9	0	0	0	112.8
179	P	47	Very low	41.1	Very low	124 Å²	124	156.4 Å²	156.4	81%	0.805	79%	0.792	S	S	*	*	P	Polyproline II helix	trans	-99.5	117.6	-174.6	35.2	-26.3	0	0	0	111.4
180	H	43.3	Very low	41.1	Very low	156 Å²	156	157.3 Å²	157.3	72%	0.722	80%	0.798	S	S	*	*			trans	-172	98	140.5	-148.3	-97.9	0	0	0	110.2
181	Y	36.2	Very low	41.5	Very low	206 Å²	206	157 Å²	157	81%	0.808	80%	0.804	S	S	*	*				-178	119.3	116.3	-112.3	-85	0	0	0	109.2
182	Q	45.4	Very low	41.7	Very low	194 Å²	194	152 Å²	152	91%	0.907	80%	0.801	S	S	*	*			trans	-79.1	151.2	-174.1	-160	155.4	-20.8	0	0	111
183	Y	40	Very low	41.9	Very low	207 Å²	207	149.9 Å²	149.9	81%	0.812	80%	0.799	S	S	*	*			trans	-100.5	141.1	-169	-132.4	-121	0	0	0	109.7
184	I	42.1	Very low	41.8	Very low	127 Å²	127	145.7 Å²	145.7	65%	0.651	79%	0.789	S	S	*	*			trans	85.3	177.7	143.4	-9.3	-172.4	0	0	0	123.8
185	P	57.2	Low	42	Very low	103 Å²	103	147.1 Å²	147.1	67%	0.669	79%	0.786	S	S	*	*				-122.2	158.5	-102	37.7	-18.9	0	0	0	116.2
186	H	40.7	Very low	42.3	Very low	168 Å²	168	146.1 Å²	146.1	78%	0.778	78%	0.783	S	S	*	*			trans	-171.3	114	162	23.1	-80.4	0	0	0	108.9
187	L	43.3	Very low	42.7	Very low	153 Å²	153	148.1 Å²	148.1	80%	0.801	78%	0.783	S	S	*	*				69.4	127.5	80.6	-81.4	177.7	0	0	0	116.5
188	F	36.5	Very low	43.2	Very low	178 Å²	178	146.8 Å²	146.8	78%	0.781	78%	0.777	S	S	*	*			trans	85.1	109.7	160.4	-66.8	-72.8	0	0	0	122.2
189	S	40.4	Very low	43.5	Very low	98 Å²	98	147.5 Å²	147.5	69%	0.685	78%	0.782	S	S	*	*			trans	23.8	129.1	133.8	-46.2	0	0	0	0	121.4
190	Y	39.3	Very low	43.2	Very low	243 Å²	243	150.5 Å²	150.5	95%	0.953	79%	0.785	S	S	*	*				-155	137	127.9	-104.4	-79.5	0	0	0	111.3
191	S	43.8	Very low	43	Very low	108 Å²	108	148 Å²	148	76%	0.755	79%	0.791	S	S	*	*			trans	-71.4	150.6	-178.4	-53.4	0	0	0	0	113.9
192	G	40.7	Very low	43.5	Very low	75 Å²	75	149.4 Å²	149.4	77%	0.773	80%	0.795	S	S	*	*			trans	-155.9	106	162.9	0	0	0	0	0	110.9
193	H	41	Very low	43.3	Very low	182 Å²	182	145.6 Å²	145.6	84%	0.843	79%	0.79	S	S	*	*			trans	-63.8	142.1	173	-55	-97.1	0	0	0	109.6
194	S	38.6	Very low	43.5	Very low	109 Å²	109	143.8 Å²	143.8	76%	0.762	79%	0.793	S	S	*	*				153.8	-176.9	70.9	-153.2	0	0	0	0	106.8
195	P	49	Very low	43.4	Very low	101 Å²	101	144.4 Å²	144.4	66%	0.656	80%	0.798	S	S	*	*				-120.4	161.2	-77.8	36.6	-19.8	0	0	0	115.4
196	L	40.9	Very low	42.9	Very low	162 Å²	162	144.9 Å²	144.9	85%	0.848	80%	0.801	S	S	*	*			trans	48.5	116.9	139.9	-60.1	170.4	0	0	0	122.7
197	L	45.7	Very low	43.5	Very low	168 Å²	168	144.8 Å²	144.8	88%	0.88	80%	0.801	S	S	*	*			trans	-158.4	133.3	130.5	-101.1	140.5	0	0	0	109.9
198	P	55.8	Low	43.9	Very low	105 Å²	105	143 Å²	143	68%	0.682	80%	0.801	S	S	*	*	P	Polyproline II helix	trans	-78.5	151.5	-176.8	30.7	-34.7	0	0	0	112.9
199	P	46.5	Very low	45.1	Very low	130 Å²	130	143.1 Å²	143.1	84%	0.844	80%	0.798	S	S	*	*	P	Polyproline II helix	trans	-73.5	132.3	173.3	28.9	-30.6	0	0	0	110.9
200	Q	41	Very low	46.6	Very low	188 Å²	188	141.6 Å²	141.6	88%	0.879	79%	0.787	S	S	*	*	P	Polyproline II helix	trans	-65.8	134.6	175.5	-65.5	-158.8	-14	0	0	111.7	R202	Q200-R202 PolarHBondContact O-N 2.94Å
201	A	39.9	Very low	47.6	Very low	102 Å²	102	136.6 Å²	136.6	84%	0.843	78%	0.776	S	S	*	*			trans	-63.1	114.6	170.2	0	0	0	0	0	109.8	S203	A201-S203 PolarHBondContact O-N 3.32Å
202	R	46.7	Very low	48.5	Very low	237 Å²	237	137.4 Å²	137.4	89%	0.894	77%	0.771	S	S	*	*			trans	-81.5	110.6	164.9	-76.9	-160	156.9	104.9	1.3	108.9	Q200 L204	Q200-R202 PolarHBondContact O-N 2.94Å; R202-L204 PolarHBondContact O-N 2.99Å
203	S	41.1	Very low	49.4	Very low	114 Å²	114	139.5 Å²	139.5	80%	0.797	76%	0.76	S	S	*	*			trans	-0.2	108.2	153.1	-177.6	0	0	0	0	115.3	A201	A201-S203 PolarHBondContact O-N 3.32Å
204	L	42.6	Very low	50.3	Low	168 Å²	168	137.4 Å²	137.4	88%	0.88	75%	0.751	S	S	*	*			trans	-74.3	125.5	160.3	-76.3	160.7	0	0	0	108.4	R202	R202-L204 PolarHBondContact O-N 2.99Å
205	D	41.8	Very low	51.3	Low	141 Å²	141	138.3 Å²	138.3	75%	0.754	75%	0.746	S	S	*	*			trans	-54.7	129.7	173.1	-159	-10	0	0	0	111.3	Q207	D205-Q207 PolarHBondContact O-N 3.06Å
206	P	46.3	Very low	51.8	Low	112 Å²	112	140.1 Å²	140.1	73%	0.727	75%	0.747	S	S	*	*	S	Bend	trans	-95.4	59.4	-175.9	37.5	-33.4	0	0	0	111.9
207	Q	52.3	Low	52.7	Low	166 Å²	166	137 Å²	137	78%	0.776	74%	0.739	S	S	*	*			trans	-151.8	71.2	163.2	-75.1	-146.6	-2.5	0	0	113.7	D205	D205-Q207 PolarHBondContact O-N 3.06Å
208	S	52.9	Low	53.3	Low	117 Å²	117	132.6 Å²	132.6	82%	0.818	73%	0.727	S	S	*	*			trans	-123.7	69.1	157.9	58.2	0	0	0	0	110.2	S210	S208-S210 PolarHBondContact O-N 2.89Å
209	Y	60.7	Low	53.5	Low	180 Å²	180	135.3 Å²	135.3	71%	0.706	73%	0.731	S	S	*	*			trans	-64.5	117.8	166.1	-74.4	-84.8	0	0	0	108.5
210	S	72.1	Confident	54.1	Low	65 Å²	65	136.7 Å²	136.7	46%	0.455	73%	0.731	S	S	.	*			trans	-62.9	138.7	175.6	72.6	0	0	0	0	110	S208 I212 H213	S208-S210 PolarHBondContact O-N 2.89Å; S210-I212 PolarHBondContact O-N 3.27Å; S210-H213 PolarHBondContact O-N 2.74Å
211	L	60.1	Low	54.7	Low	139 Å²	139	135.8 Å²	135.8	73%	0.728	73%	0.731	S	S	*	*	H	α-helix	trans	-49.9	-26.3	177.3	-88.1	159.9	0	0	0	113.6	H213 Q214 L215	L211-H213 VanDerWaalsContact C-N 3.33Å; L211-H213 PolarHBondContact O-N 2.93Å; L211-Q214 PolarHBondContact O-N 3.25Å; L211-L215 WeakPolarHBondContact O-CG 3.32Å; L211-L215 PolarHBondContact O-N 2.9Å
212	I	62.8	Low	55.8	Low	125 Å²	125	139.4 Å²	139.4	64%	0.641	73%	0.731	S	S	*	*	H	α-helix	trans	-65.4	-36.5	177.5	-59.5	-179.7	0	0	0	111.3	S210	S210-I212 PolarHBondContact O-N 3.27Å
213	H	59.7	Low	56.1	Low	118 Å²	118	134.3 Å²	134.3	55%	0.546	73%	0.728	S	S	.	*	H	α-helix	trans	-80	-18	-178.7	-140.8	-76.8	0	0	0	113.2	S210 L211 S217	S210-H213 PolarHBondContact O-N 2.74Å; L211-H213 VanDerWaalsContact C-N 3.33Å; L211-H213 PolarHBondContact O-N 2.93Å; H213-S217 PolarHBondContact O-OG 2.74Å
214	Q	60.3	Low	56.4	Low	139 Å²	139	136.6 Å²	136.6	65%	0.65	73%	0.731	S	S	*	*	H	α-helix	trans	-84.3	-25.7	175.2	-161.6	165	-35.5	0	0	111.8	L211	L211-Q214 PolarHBondContact O-N 3.25Å
215	L	58.6	Low	57.2	Low	128 Å²	128	132.2 Å²	132.2	67%	0.67	73%	0.726	S	S	*	*	H	α-helix	trans	-75.3	-30.7	174.8	-73.1	166.3	0	0	0	112.7	L211 S217	L211-L215 WeakPolarHBondContact O-CG 3.32Å; L211-L215 PolarHBondContact O-N 2.9Å; L215-S217 PolarHBondContact O-N 2.86Å
216	M	60.2	Low	57.9	Low	138 Å²	138	131.4 Å²	131.4	68%	0.68	73%	0.727	S	S	*	*	T	Hydrogen-bonded Turn	trans	-77.8	-0.4	177.9	-65.8	-174.1	71.2	0	0	114.2
217	S	59.8	Low	58.5	Low	97 Å²	97	131.5 Å²	131.5	68%	0.678	73%	0.727	S	S	*	*	T	Hydrogen-bonded Turn	trans	-108.9	7.1	179.2	-50.8	0	0	0	0	113.4	H213 L215	H213-S217 PolarHBondContact O-OG 2.74Å; L215-S217 PolarHBondContact O-N 2.86Å
218	A	57.9	Low	58.4	Low	76 Å²	76	131.4 Å²	131.4	63%	0.628	73%	0.728	S	S	*	*			trans	-107.4	9	-176.1	0	0	0	0	0	114.1	D220	A218-D220 PolarHBondContact O-N 3.15Å
219	E	61.2	Low	58.7	Low	161 Å²	161	133.6 Å²	133.6	75%	0.752	73%	0.73	S	S	*	*			trans	-94.5	71.6	176.4	-67.9	178	101.9	0	0	110.2
220	D	59	Low	58.5	Low	160 Å²	160	131 Å²	131	86%	0.856	73%	0.727	S	S	*	*			trans	-163.3	56.8	163.4	-98.7	-25.3	0	0	0	111.1	A218	A218-D220 PolarHBondContact O-N 3.15Å
221	L	53.4	Low	58	Low	168 Å²	168	137 Å²	137	88%	0.88	75%	0.748	S	S	*	*			trans	-126.7	115.1	161.9	-70.8	172.4	0	0	0	109.1
222	E	62.5	Low	58.3	Low	179 Å²	179	137.7 Å²	137.7	84%	0.836	75%	0.753	S	S	*	*			trans	-53.5	146.2	175.7	-64.3	-167	137.3	0	0	111.9	L224	E222-L224 PolarHBondContact O-N 3.23Å
223	P	52.3	Low	57.7	Low	129 Å²	129	134.7 Å²	134.7	84%	0.838	75%	0.752	S	S	*	*			trans	-70.9	105.9	174	27.9	-30.4	0	0	0	109.7	G225	P223-G225 PolarHBondContact O-N 3.4Å
224	L	48.7	Very low	57.3	Low	163 Å²	163	140.7 Å²	140.7	85%	0.853	77%	0.772	S	S	*	*			trans	-64	98.4	164.6	-73.9	170.3	0	0	0	108.7	E222 T226	E222-L224 PolarHBondContact O-N 3.23Å; L224-T226 PolarHBondContact O-N 3.49Å
225	G	59.7	Low	56.9	Low	75 Å²	75	142.2 Å²	142.2	77%	0.773	81%	0.808	S	S	*	*			trans	-69.9	94	169.8	0	0	0	0	0	110.5	P223	P223-G225 PolarHBondContact O-N 3.4Å
226	T	56.1	Low	56.8	Low	125 Å²	125	142.9 Å²	142.9	77%	0.767	82%	0.815	S	S	*	*			trans	-96	114.4	162.3	46.6	0	0	0	0	109.1	L224 M228	L224-T226 PolarHBondContact O-N 3.49Å; T226-M228 PolarHBondContact O-N 2.88Å
227	P	58.1	Low	56.7	Low	114 Å²	114	143.2 Å²	143.2	74%	0.74	82%	0.822	S	S	*	*			trans	-69.4	129.4	174.4	27	-30.8	0	0	0	110.1	L229	P227-L229 PolarHBondContact O-N 3.1Å
228	M	50.7	Low	56.5	Low	163 Å²	163	145.7 Å²	145.7	80%	0.803	83%	0.83	S	S	*	*			trans	-65.7	112.4	166.2	-88.1	-179.2	41	0	0	109.2	T226 I230	T226-M228 PolarHBondContact O-N 2.88Å; M228-I230 HydrophobicContact CE-CD1 4.35Å; M228-I230 HydrophobicContact CE-CG1 4.14Å
229	L	58.9	Low	56.4	Low	163 Å²	163	149.8 Å²	149.8	85%	0.853	84%	0.842	S	S	*	*			trans	-84	116.6	160.5	-68.7	177.6	0	0	0	108	P227	P227-L229 PolarHBondContact O-N 3.1Å
230	I	56.6	Low	56.1	Low	126 Å²	126	149.1 Å²	149.1	65%	0.646	85%	0.847	S	S	*	*			trans	-87.7	107.4	166.6	-60.7	168.7	0	0	0	105.2	M228 D232	M228-I230 HydrophobicContact CE-CD1 4.35Å; M228-I230 HydrophobicContact CE-CG1 4.14Å; I230-D232 PolarHBondContact O-N 2.87Å
231	E	62.4	Low	55.9	Low	191 Å²	191	148.4 Å²	148.4	89%	0.893	85%	0.847	S	S	*	*			trans	-83.1	106.2	164	-83.8	-172.1	144.8	0	0	108.3
232	D	65.6	Low	56.1	Low	154 Å²	154	147 Å²	147	82%	0.824	84%	0.844	S	S	*	*			trans	-70.6	123.5	163.4	-72	-44.6	0	0	0	109.4	I230	I230-D232 PolarHBondContact O-N 2.87Å
233	G	50	Low	55.6	Low	61 Å²	61	144.5 Å²	144.5	63%	0.629	85%	0.845	S	S	*	*			trans	122.9	109.1	150.2	0	0	0	0	0	115.8
234	Y	51.7	Low	55.9	Low	245 Å²	245	145.8 Å²	145.8	96%	0.961	85%	0.846	S	S	*	*			trans	-134.5	113.1	131.4	-92.2	-81.7	0	0	0	108.6
235	A	52.1	Low	56.5	Low	170 Å²	170	144.3 Å²	144.3	100%	1.405	85%	0.845	S	S	*	*			trans	-76.5	0	158	0	0	0	0	0	110

Retrieved 235 of 235 residues in 43.1 ms (Link to these results)

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