A0A5K4F9Z9_SCHMA Loading...

UBZ4-type domain-containing protein

AlphaFold DB , UniProt , Accession A0A5K4F9Z9, Species SCHMA (Schistosoma mansoni, Blood fluke), Gene n/a, Length 326 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	34.3	Very low	26.9	Very low	232 Å²	232	129.9 Å²	129.9	100%	1.143	66%	0.656	S	S	*	*				0	7.2	0	-80.2	-166.4	-177.3	0	0	114.1
2	Q	26.1	Very low	27	Very low	163 Å²	163	125.2 Å²	125.2	76%	0.762	63%	0.634	S	S	*	*			trans	-96.1	-30.6	-177.9	-144.3	119.1	-5.3	0	0	113.5	S4 N5	Q2-S4 VanDerWaalsContact C-N 3.26Å; Q2-S4 PolarHBondContact O-N 3.15Å; Q2-N5 PolarHBondContact O-N 3.1Å
3	E	24.2	Very low	27	Very low	164 Å²	164	122.8 Å²	122.8	77%	0.766	63%	0.632	S	S	*	*	H	α-helix	trans	-67.2	-19.3	-174.7	-69.9	162.7	161.7	0	0	114.4
4	S	23.5	Very low	27	Very low	83 Å²	83	121.4 Å²	121.4	58%	0.58	63%	0.626	S	S	*	*	H	α-helix	trans	-75.3	-21.7	179	170.7	0	0	0	0	113.7	Q2	Q2-S4 VanDerWaalsContact C-N 3.26Å; Q2-S4 PolarHBondContact O-N 3.15Å
5	N	26.9	Very low	26.9	Very low	103 Å²	103	118.4 Å²	118.4	55%	0.551	61%	0.605	S	S	*	*	H	α-helix	trans	-86.6	-26	-178.1	-76.9	-28.2	0	0	0	113.1	Q2	Q2-N5 PolarHBondContact O-N 3.1Å
6	D	26.8	Very low	27	Very low	114 Å²	114	120 Å²	120	61%	0.61	61%	0.606	S	S	*	*	H	α-helix	trans	-76.5	-27.4	-178.9	-66.6	-26.7	0	0	0	112.1	F9	D6-F9 WeakPolarHBondContact O-CB 3.39Å
7	L	26.3	Very low	26.9	Very low	105 Å²	105	122.6 Å²	122.6	55%	0.55	62%	0.616	S	S	.	*	H	α-helix	trans	-76.3	-31.4	175.7	-90.3	139.4	0	0	0	113.7	F9 L10	L7-F9 PolarHBondContact O-N 2.81Å; L7-L10 PolarHBondContact O-N 3.08Å
8	K	26.7	Very low	26.8	Very low	151 Å²	151	119.8 Å²	119.8	66%	0.657	61%	0.608	S	S	*	*	H	α-helix	trans	-64.6	-21.1	173.4	-88	-176.8	175.8	177	0	113.1	T11	K8-T11 PolarHBondContact O-OG1 3.2Å
9	F	26.6	Very low	26.9	Very low	129 Å²	129	117.6 Å²	117.6	57%	0.566	60%	0.598	S	S	*	*	H	α-helix	trans	-74.4	-31.4	178.3	-125.1	-100.1	0	0	0	112.4	D6 L7 Y15	D6-F9 WeakPolarHBondContact O-CB 3.39Å; L7-F9 PolarHBondContact O-N 2.81Å; F9-Y15 AromaticContact CD1-CD2 3.99Å; F9-Y15 HydrophobicContact CD1-CD2 3.99Å; F9-Y15 AromaticContact CD1-CE2 3.33Å; F9-Y15 HydrophobicContact CD1-CE2 3.33Å; F9-Y15 AromaticContact CD1-CZ 3.96Å; F9-Y15 HydrophobicContact CE1-CD2 4.26Å; F9-Y15 AromaticContact CE1-CE2 3.51Å; F9-Y15 HydrophobicContact CE1-CE2 3.51Å
10	L	27.6	Very low	26.8	Very low	118 Å²	118	115.4 Å²	115.4	62%	0.618	61%	0.605	S	S	*	*	H	α-helix	trans	-84.1	-18	-175.3	-66.3	169.6	0	0	0	113.3	L7	L7-L10 PolarHBondContact O-N 3.08Å
11	T	27.4	Very low	27	Very low	67 Å²	67	113.2 Å²	113.2	41%	0.411	59%	0.594	S	S	.	*	T	Hydrogen-bonded Turn	trans	-94.5	6.4	178.7	55.1	0	0	0	0	113.5	K8 P13	K8-T11 PolarHBondContact O-OG1 3.2Å; T11-P13 VanDerWaalsContact O-CD 3.25Å; T11-P13 WeakPolarHBondContact O-CD 3.26Å
12	N	27.6	Very low	26.9	Very low	73 Å²	73	105 Å²	105	39%	0.39	56%	0.555	S	S	.	*			trans	-84.8	113	-179.3	-168.7	-13.1	0	0	0	110	N14 Y15	N12-N14 PolarHBondContact O-N 2.93Å; N12-N14 VanDerWaalsContact O-N 3.11Å; N12-N14 WeakPolarHBondContact OD1-CB 3.3Å; N12-N14 PolarHBondContact OD1-N 3.2Å; N12-N14 VanDerWaalsContact OD1-N 3.1Å; N12-Y15 WeakPolarHBondContact O-CB 3.4Å; N12-Y15 PolarHBondContact O-N 3.04Å
13	P	26.9	Very low	27.1	Very low	95 Å²	95	101 Å²	101	62%	0.617	54%	0.538	S	S	*	.	G	3₁₀ helix	trans	-61.7	-19.1	177.7	22.5	-31.3	0	0	0	112.9	T11 Y15	T11-P13 VanDerWaalsContact O-CD 3.25Å; T11-P13 WeakPolarHBondContact O-CD 3.26Å; P13-Y15 PolarHBondContact O-N 3.28Å
14	N	26.7	Very low	27.5	Very low	103 Å²	103	99.2 Å²	99.2	55%	0.551	53%	0.528	S	S	*	.	G	3₁₀ helix	trans	-77.7	-3.5	170.9	-62.4	-47.2	0	0	0	113.8	N12 H17 C18	N12-N14 PolarHBondContact O-N 2.93Å; N12-N14 VanDerWaalsContact O-N 3.11Å; N12-N14 WeakPolarHBondContact OD1-CB 3.3Å; N12-N14 PolarHBondContact OD1-N 3.2Å; N12-N14 VanDerWaalsContact OD1-N 3.1Å; N14-H17 WeakPolarHBondContact O-CB 3.48Å; N14-H17 PolarHBondContact O-N 3.24Å; N14-C18 PolarHBondContact O-N 3.48Å; N14-C18 PolarHBondContact O-SG 3.46Å
15	Y	26.7	Very low	28.1	Very low	76 Å²	76	99.8 Å²	99.8	30%	0.298	52%	0.524	S	S	.	.	G	3₁₀ helix	trans	-74.9	-26.8	-180	-156.8	-105.8	0	0	0	112.6	F9 N12 P13 H17 C18 L19	F9-Y15 AromaticContact CD1-CD2 3.99Å; F9-Y15 HydrophobicContact CD1-CD2 3.99Å; F9-Y15 AromaticContact CD1-CE2 3.33Å; F9-Y15 HydrophobicContact CD1-CE2 3.33Å; F9-Y15 AromaticContact CD1-CZ 3.96Å; F9-Y15 HydrophobicContact CE1-CD2 4.26Å; F9-Y15 AromaticContact CE1-CE2 3.51Å; F9-Y15 HydrophobicContact CE1-CE2 3.51Å; N12-Y15 WeakPolarHBondContact O-CB 3.4Å; N12-Y15 PolarHBondContact O-N 3.04Å; P13-Y15 PolarHBondContact O-N 3.28Å; Y15-H17 PolarHBondContact O-N 2.78Å; Y15-C18 HydrophobicContact CD2-CB 4.19Å; Y15-C18 HydrophobicContact CE2-CB 4.44Å; Y15-C18 CarbonylContact O-C 3.52Å; Y15-C18 WeakPolarHBondContact O-CA 3.4Å; Y15-C18 VanDerWaalsContact O-CB 3.31Å; Y15-C18 WeakPolarHBondContact O-CB 3.29Å; Y15-C18 PolarHBondContact O-N 3.02Å; Y15-L19 PolarHBondContact O-N 3.07Å
16	F	27.2	Very low	28.5	Very low	144 Å²	144	97.1 Å²	97.1	63%	0.632	51%	0.51	S	S	*	.	G	3₁₀ helix	trans	-68.4	-25.3	171.3	-73.8	-84.2	0	0	0	112.3	C18 L19	F16-C18 VanDerWaalsContact C-N 3.3Å; F16-L19 HydrophobicContact CB-CD1 4.47Å; F16-L19 HydrophobicContact CD1-CD1 3.72Å; F16-L19 HydrophobicContact CE1-CD1 4.47Å; F16-L19 WeakPolarHBondContact O-CB 3.12Å; F16-L19 PolarHBondContact O-N 3.44Å
17	H	25.8	Very low	28.8	Very low	165 Å²	165	96 Å²	96	76%	0.764	50%	0.504	S	S	*	.	G	3₁₀ helix	trans	-74.8	-18.8	166.1	-82.3	-65.2	0	0	0	113.3	N14 Y15 L19	N14-H17 WeakPolarHBondContact O-CB 3.48Å; N14-H17 PolarHBondContact O-N 3.24Å; Y15-H17 PolarHBondContact O-N 2.78Å; H17-L19 VanDerWaalsContact C-N 3.34Å
18	C	25	Very low	29.2	Very low	72 Å²	72	96.6 Å²	96.6	49%	0.486	50%	0.5	S	S	.	.	G	3₁₀ helix	trans	-85.8	-1.3	173.7	-63.7	0	0	0	0	113.5	N14 Y15 F16 G20 D21	N14-C18 PolarHBondContact O-N 3.48Å; N14-C18 PolarHBondContact O-SG 3.46Å; Y15-C18 HydrophobicContact CD2-CB 4.19Å; Y15-C18 HydrophobicContact CE2-CB 4.44Å; Y15-C18 CarbonylContact O-C 3.52Å; Y15-C18 WeakPolarHBondContact O-CA 3.4Å; Y15-C18 VanDerWaalsContact O-CB 3.31Å; Y15-C18 WeakPolarHBondContact O-CB 3.29Å; Y15-C18 PolarHBondContact O-N 3.02Å; F16-C18 VanDerWaalsContact C-N 3.3Å; C18-G20 PolarHBondContact O-N 3Å; C18-G20 VanDerWaalsContact O-N 3.16Å; C18-D21 PolarHBondContact O-N 2.99Å
19	L	28.9	Very low	29.6	Very low	78 Å²	78	95.3 Å²	95.3	41%	0.408	49%	0.491	S	S	.	.	G	3₁₀ helix	trans	-62	-13.7	166.4	-71.2	171.9	0	0	0	112.5	Y15 F16 H17 D21 L22 L25	Y15-L19 PolarHBondContact O-N 3.07Å; F16-L19 HydrophobicContact CB-CD1 4.47Å; F16-L19 HydrophobicContact CD1-CD1 3.72Å; F16-L19 HydrophobicContact CE1-CD1 4.47Å; F16-L19 WeakPolarHBondContact O-CB 3.12Å; F16-L19 PolarHBondContact O-N 3.44Å; H17-L19 VanDerWaalsContact C-N 3.34Å; L19-D21 PolarHBondContact O-N 3.13Å; L19-L22 WeakPolarHBondContact O-CG 3.5Å; L19-L25 HydrophobicContact CD2-CD1 3.63Å
20	G	25.5	Very low	30.1	Very low	72 Å²	72	94.4 Å²	94.4	74%	0.742	49%	0.489	S	S	*	.	G	3₁₀ helix	trans	-66.1	-13	168.8	0	0	0	0	0	114.6	C18 L22	C18-G20 PolarHBondContact O-N 3Å; C18-G20 VanDerWaalsContact O-N 3.16Å; G20-L22 PolarHBondContact O-N 2.89Å
21	D	29.6	Very low	30.5	Very low	71 Å²	71	95.6 Å²	95.6	38%	0.38	49%	0.493	S	S	.	.			trans	-102.9	56.2	175.4	-148.6	2.9	0	0	0	110.2	C18 L19 N23 K24	C18-D21 PolarHBondContact O-N 2.99Å; L19-D21 PolarHBondContact O-N 3.13Å; D21-N23 PolarHBondContact O-N 3.33Å; D21-K24 HydrophobicContact CB-CD 4.39Å; D21-K24 WeakPolarHBondContact O-CB 3.21Å; D21-K24 PolarHBondContact O-N 3.25Å; D21-K24 WeakPolarHBondContact OD2-CE 3.49Å; D21-K24 IonicContact OD2-NZ 2.76Å; D21-K24 PolarHBondContact OD2-NZ 2.79Å
22	L	33.7	Very low	30.7	Very low	59 Å²	59	94.4 Å²	94.4	31%	0.309	48%	0.484	S	S	.	.	H	α-helix	trans	-47.5	-22.4	-178.4	-79.5	160.6	0	0	0	114.8	L19 G20 K24 L25 D26	L19-L22 WeakPolarHBondContact O-CG 3.5Å; G20-L22 PolarHBondContact O-N 2.89Å; L22-K24 PolarHBondContact O-N 3.24Å; L22-L25 PolarHBondContact O-N 3.19Å; L22-D26 PolarHBondContact O-N 3.45Å
23	N	29.9	Very low	30.9	Very low	78 Å²	78	95.7 Å²	95.7	42%	0.417	49%	0.487	S	S	.	.	H	α-helix	trans	-64.4	-26.1	173.4	-73.4	-50.5	0	0	0	113.4	D21 N27	D21-N23 PolarHBondContact O-N 3.33Å; N23-N27 WeakPolarHBondContact O-CB 3.47Å; N23-N27 PolarHBondContact O-N 3.07Å; N23-N27 PolarHBondContact O-ND2 2.92Å
24	K	33.3	Very low	31	Very low	127 Å²	127	98 Å²	98	55%	0.552	49%	0.494	S	S	*	.	H	α-helix	trans	-78.1	-34.1	175.3	-71.9	175.3	177	143.6	0	111.6	D21 L22 Y28	D21-K24 HydrophobicContact CB-CD 4.39Å; D21-K24 WeakPolarHBondContact O-CB 3.21Å; D21-K24 PolarHBondContact O-N 3.25Å; D21-K24 WeakPolarHBondContact OD2-CE 3.49Å; D21-K24 IonicContact OD2-NZ 2.76Å; D21-K24 PolarHBondContact OD2-NZ 2.79Å; L22-K24 PolarHBondContact O-N 3.24Å; K24-Y28 WeakPolarHBondContact O-CB 3.1Å; K24-Y28 PolarHBondContact O-N 3.41Å
25	L	34.6	Very low	31.1	Very low	95 Å²	95	96.1 Å²	96.1	50%	0.497	49%	0.489	S	S	.	.	H	α-helix	trans	-69.5	-42.1	175.1	-135.4	101.4	0	0	0	111.6	L19 L22 Y28 Y29	L19-L25 HydrophobicContact CD2-CD1 3.63Å; L22-L25 PolarHBondContact O-N 3.19Å; L25-Y28 PolarHBondContact O-N 3.46Å; L25-Y29 WeakPolarHBondContact O-CB 3.17Å; L25-Y29 PolarHBondContact O-N 3.49Å
26	D	35	Very low	31.2	Very low	47 Å²	47	95.3 Å²	95.3	25%	0.251	49%	0.491	S	S	.	.	H	α-helix	trans	-65.8	-38.7	175.8	-153.3	36	0	0	0	111	L22 Y29 Q30 K138	L22-D26 PolarHBondContact O-N 3.45Å; D26-Y29 PolarHBondContact O-N 3.43Å; D26-Q30 VanDerWaalsContact O-CB 3.25Å; D26-Q30 WeakPolarHBondContact O-CB 3.38Å; D26-Q30 WeakPolarHBondContact O-CG 3.29Å; D26-Q30 PolarHBondContact O-N 2.92Å; D26-K138 IonicContact OD1-NZ 2.81Å; D26-K138 PolarHBondContact OD1-NZ 2.9Å; D26-K138 IonicContact OD2-NZ 3.35Å; D26-K138 PolarHBondContact OD2-NZ 2.97Å
27	N	34.9	Very low	31.2	Very low	90 Å²	90	94.6 Å²	94.6	48%	0.481	49%	0.488	S	S	.	.	H	α-helix	trans	-64.9	-38.6	172.3	-79.6	-19.8	0	0	0	112.5	N23 Q30 M31	N23-N27 WeakPolarHBondContact O-CB 3.47Å; N23-N27 PolarHBondContact O-N 3.07Å; N23-N27 PolarHBondContact O-ND2 2.92Å; N27-Q30 PolarHBondContact O-N 3.29Å; N27-M31 VanDerWaalsContact O-CB 3.25Å; N27-M31 WeakPolarHBondContact O-CB 3.31Å; N27-M31 VanDerWaalsContact O-CG 3.23Å; N27-M31 WeakPolarHBondContact O-CG 3.32Å; N27-M31 PolarHBondContact O-N 3Å
28	Y	34.4	Very low	31.2	Very low	119 Å²	119	89.9 Å²	89.9	47%	0.467	47%	0.469	S	S	.	.	H	α-helix	trans	-67.3	-42	176	-169.1	-94.4	0	0	0	111.6	K24 L25 M31 N32 Q85	K24-Y28 WeakPolarHBondContact O-CB 3.1Å; K24-Y28 PolarHBondContact O-N 3.41Å; L25-Y28 PolarHBondContact O-N 3.46Å; Y28-M31 PolarHBondContact O-N 3.46Å; Y28-N32 WeakPolarHBondContact CD1-ND2 3.3Å; Y28-N32 WeakPolarHBondContact CE1-ND2 3.32Å; Y28-N32 WeakPolarHBondContact CE2-ND2 3.34Å; Y28-N32 VanDerWaalsContact O-CB 3.28Å; Y28-N32 WeakPolarHBondContact O-CB 3.44Å; Y28-N32 PolarHBondContact O-N 2.72Å; Y28-N32 PolarHBondContact O-ND2 2.96Å; Y28-Q85 PolarHBondContact OH-NE2 2.88Å; Y28-Q85 VanDerWaalsContact OH-NE2 3.08Å
29	Y	35.2	Very low	31.4	Very low	123 Å²	123	91.1 Å²	91.1	48%	0.482	47%	0.474	S	S	.	.	H	α-helix	trans	-67.5	-36.3	175.8	-154.8	-90.6	0	0	0	112.3	L25 D26 K33	L25-Y29 WeakPolarHBondContact O-CB 3.17Å; L25-Y29 PolarHBondContact O-N 3.49Å; D26-Y29 PolarHBondContact O-N 3.43Å; Y29-K33 WeakPolarHBondContact O-CA 3.48Å; Y29-K33 WeakPolarHBondContact O-CB 3.34Å; Y29-K33 PolarHBondContact O-N 3.27Å
30	Q	37.2	Very low	31.3	Very low	110 Å²	110	93 Å²	93	51%	0.514	48%	0.484	S	S	.	.	H	α-helix	trans	-71.7	-39	174.3	-68.9	-90.1	7.3	0	0	112.2	D26 N27 N32	D26-Q30 VanDerWaalsContact O-CB 3.25Å; D26-Q30 WeakPolarHBondContact O-CB 3.38Å; D26-Q30 WeakPolarHBondContact O-CG 3.29Å; D26-Q30 PolarHBondContact O-N 2.92Å; N27-Q30 PolarHBondContact O-N 3.29Å; Q30-N32 VanDerWaalsContact C-N 3.33Å
31	M	34.4	Very low	31.5	Very low	144 Å²	144	93.9 Å²	93.9	71%	0.709	47%	0.472	S	S	*	.	H	α-helix	trans	-68.2	-34.4	176.1	-79.9	-176	162.8	0	0	112.1	N27 Y28	N27-M31 VanDerWaalsContact O-CB 3.25Å; N27-M31 WeakPolarHBondContact O-CB 3.31Å; N27-M31 VanDerWaalsContact O-CG 3.23Å; N27-M31 WeakPolarHBondContact O-CG 3.32Å; N27-M31 PolarHBondContact O-N 3Å; Y28-M31 PolarHBondContact O-N 3.46Å
32	N	32.4	Very low	31.5	Very low	41 Å²	41	97.4 Å²	97.4	22%	0.219	49%	0.486	C	S	.	.	S	Bend	trans	-98.6	4	-178.5	-70	-45	0	0	0	114.1	Y28 Q30 N34 S35 V36	Y28-N32 WeakPolarHBondContact CD1-ND2 3.3Å; Y28-N32 WeakPolarHBondContact CE1-ND2 3.32Å; Y28-N32 WeakPolarHBondContact CE2-ND2 3.34Å; Y28-N32 VanDerWaalsContact O-CB 3.28Å; Y28-N32 WeakPolarHBondContact O-CB 3.44Å; Y28-N32 PolarHBondContact O-N 2.72Å; Y28-N32 PolarHBondContact O-ND2 2.96Å; Q30-N32 VanDerWaalsContact C-N 3.33Å; N32-N34 PolarHBondContact O-N 2.98Å; N32-N34 VanDerWaalsContact O-N 3.12Å; N32-S35 WeakPolarHBondContact CA-OG 3.25Å; N32-S35 WeakPolarHBondContact CB-OG 3.37Å; N32-S35 PolarHBondContact O-N 2.84Å; N32-S35 PolarHBondContact O-OG 3.39Å; N32-S35 VanDerWaalsContact O-OG 3.06Å; N32-S35 PolarHBondContact OD1-OG 3.5Å; N32-S35 VanDerWaalsContact OD1-OG 3.12Å; N32-V36 HydrophobicContact CB-CG2 3.79Å; N32-V36 WeakPolarHBondContact O-CB 3.34Å; N32-V36 WeakPolarHBondContact O-CG2 3.37Å; N32-V36 PolarHBondContact O-N 2.93Å
33	K	31.7	Very low	31.2	Very low	101 Å²	101	98.8 Å²	98.8	44%	0.439	49%	0.494	S	S	.	.	T	Hydrogen-bonded Turn	trans	-59.7	-26.1	177.8	-129.9	178.7	-178.4	-178	0	113.2	Y29	Y29-K33 WeakPolarHBondContact O-CA 3.48Å; Y29-K33 WeakPolarHBondContact O-CB 3.34Å; Y29-K33 PolarHBondContact O-N 3.27Å
34	N	29.2	Very low	31.2	Very low	144 Å²	144	102.4 Å²	102.4	77%	0.77	51%	0.506	S	S	*	.	T	Hydrogen-bonded Turn	trans	-93.9	-14.4	176.6	-66.2	-10.7	0	0	0	113.5	N32	N32-N34 PolarHBondContact O-N 2.98Å; N32-N34 VanDerWaalsContact O-N 3.12Å
35	S	28.4	Very low	31.1	Very low	63 Å²	63	102.2 Å²	102.2	44%	0.441	52%	0.515	S	S	.	.	T	Hydrogen-bonded Turn	trans	-99.6	-36.5	179.3	55.2	0	0	0	0	112.3	N32 F37 N38	N32-S35 WeakPolarHBondContact CA-OG 3.25Å; N32-S35 WeakPolarHBondContact CB-OG 3.37Å; N32-S35 PolarHBondContact O-N 2.84Å; N32-S35 PolarHBondContact O-OG 3.39Å; N32-S35 VanDerWaalsContact O-OG 3.06Å; N32-S35 PolarHBondContact OD1-OG 3.5Å; N32-S35 VanDerWaalsContact OD1-OG 3.12Å; S35-F37 VanDerWaalsContact C-N 3.33Å; S35-F37 PolarHBondContact O-N 2.82Å; S35-N38 PolarHBondContact O-N 2.84Å
36	V	29	Very low	30.8	Very low	59 Å²	59	103.8 Å²	103.8	36%	0.358	52%	0.524	S	S	.	.	T	Hydrogen-bonded Turn	trans	-76.3	-19.3	-178.7	175.5	0	0	0	0	112.5	N32 M89	N32-V36 HydrophobicContact CB-CG2 3.79Å; N32-V36 WeakPolarHBondContact O-CB 3.34Å; N32-V36 WeakPolarHBondContact O-CG2 3.37Å; N32-V36 PolarHBondContact O-N 2.93Å; V36-M89 HydrophobicContact CG1-CE 4.19Å; V36-M89 HydrophobicContact CG1-SD 4.31Å
37	F	26.8	Very low	30.4	Very low	128 Å²	128	110.4 Å²	110.4	56%	0.561	55%	0.553	S	S	*	*	T	Hydrogen-bonded Turn	trans	-99.7	3.7	172.2	-77.5	-81.5	0	0	0	114	S35 V39 N40	S35-F37 VanDerWaalsContact C-N 3.33Å; S35-F37 PolarHBondContact O-N 2.82Å; F37-V39 PolarHBondContact O-N 3.08Å; F37-N40 PolarHBondContact O-N 2.98Å
38	N	27.4	Very low	30	Very low	67 Å²	67	113.5 Å²	113.5	36%	0.358	57%	0.569	S	S	.	*	G	3₁₀ helix	trans	-82.9	0.7	177.4	-137.1	22	0	0	0	113.6	S35 N40 N41 H42	S35-N38 PolarHBondContact O-N 2.84Å; N38-N40 PolarHBondContact O-N 3.06Å; N38-N41 PolarHBondContact O-N 3.44Å; N38-N41 VanDerWaalsContact OD1-CB 3.26Å; N38-N41 WeakPolarHBondContact OD1-CB 3.2Å; N38-N41 PolarHBondContact OD1-ND2 2.92Å; N38-H42 PolarHBondContact O-N 3.12Å
39	V	27.7	Very low	29.5	Very low	98 Å²	98	114.7 Å²	114.7	59%	0.594	58%	0.583	S	S	*	*	G	3₁₀ helix	trans	-60.4	-23	165.4	-168.6	0	0	0	0	110.8	F37 N43	F37-V39 PolarHBondContact O-N 3.08Å; V39-N43 PolarHBondContact O-ND2 3.33Å
40	N	27.2	Very low	29	Very low	117 Å²	117	114.2 Å²	114.2	63%	0.626	60%	0.595	S	S	*	*	G	3₁₀ helix	trans	-82.6	-9.7	173.9	-74.4	-14.2	0	0	0	114.9	F37 N38	F37-N40 PolarHBondContact O-N 2.98Å; N38-N40 PolarHBondContact O-N 3.06Å
41	N	30.6	Very low	28.5	Very low	90 Å²	90	114 Å²	114	48%	0.481	60%	0.601	S	S	.	*	T	Hydrogen-bonded Turn	trans	-99	-15.1	174.1	-85.9	-36.2	0	0	0	113.5	N38 N43	N38-N41 PolarHBondContact O-N 3.44Å; N38-N41 VanDerWaalsContact OD1-CB 3.26Å; N38-N41 WeakPolarHBondContact OD1-CB 3.2Å; N38-N41 PolarHBondContact OD1-ND2 2.92Å; N41-N43 VanDerWaalsContact C-N 3.3Å
42	H	29.1	Very low	28.2	Very low	146 Å²	146	112 Å²	112	68%	0.676	60%	0.599	S	S	*	*	T	Hydrogen-bonded Turn	trans	-80.5	-11.3	167.6	-79.2	-76.4	0	0	0	113.1	N38	N38-H42 PolarHBondContact O-N 3.12Å
43	N	27.9	Very low	27.8	Very low	88 Å²	88	117.7 Å²	117.7	47%	0.471	63%	0.627	S	S	.	*	T	Hydrogen-bonded Turn	trans	-93.4	15	177.5	-75.2	-19.3	0	0	0	114.8	V39 N41 V45	V39-N43 PolarHBondContact O-ND2 3.33Å; N41-N43 VanDerWaalsContact C-N 3.3Å; N43-V45 PolarHBondContact O-N 2.98Å; N43-V45 VanDerWaalsContact O-N 3.15Å
44	K	29.5	Very low	27.6	Very low	154 Å²	154	116 Å²	116	67%	0.67	62%	0.621	S	S	*	*	T	Hydrogen-bonded Turn	trans	-75	9.7	173.6	-76.8	-173.2	176.2	177.4	0	114.6
45	V	30.4	Very low	27.4	Very low	122 Å²	122	112.4 Å²	112.4	74%	0.739	61%	0.605	S	S	*	*	T	Hydrogen-bonded Turn	trans	-117.7	-3.8	-174.6	-174.5	0	0	0	0	113.2	N43	N43-V45 PolarHBondContact O-N 2.98Å; N43-V45 VanDerWaalsContact O-N 3.15Å
46	N	29.5	Very low	27.2	Very low	129 Å²	129	114 Å²	114	69%	0.69	62%	0.616	S	S	*	*			trans	-142.2	83.6	173.8	-76.4	-42.3	0	0	0	110.6	D48	N46-D48 PolarHBondContact O-N 2.8Å; N46-D48 VanDerWaalsContact O-N 3.1Å
47	E	26.1	Very low	27.1	Very low	186 Å²	186	120.2 Å²	120.2	87%	0.869	64%	0.638	S	S	*	*	T	Hydrogen-bonded Turn	trans	-69.2	4.9	-176.4	-72.7	-172.8	148.5	0	0	115.5
48	D	25.8	Very low	27	Very low	154 Å²	154	118.7 Å²	118.7	82%	0.824	63%	0.629	S	S	*	*	T	Hydrogen-bonded Turn	trans	-119.6	8.7	-170.6	-78.4	-37.3	0	0	0	116.2	N46	N46-D48 PolarHBondContact O-N 2.8Å; N46-D48 VanDerWaalsContact O-N 3.1Å
49	L	25.1	Very low	27.2	Very low	145 Å²	145	118.4 Å²	118.4	76%	0.759	63%	0.627	S	S	*	*			trans	-126.9	100.1	179.6	-85.3	152.9	0	0	0	112.1	V51	L49-V51 PolarHBondContact O-N 2.91Å
50	P	24.8	Very low	27.3	Very low	113 Å²	113	119.9 Å²	119.9	73%	0.734	63%	0.632	S	S	*	*			trans	-62.1	121	170.3	24.3	-30.7	0	0	0	109.3	P52	P50-P52 WeakPolarHBondContact O-CD 3.28Å; P50-P52 VanDerWaalsContact O-N 3.16Å
51	V	26.5	Very low	27.4	Very low	106 Å²	106	115.9 Å²	115.9	64%	0.642	61%	0.613	S	S	*	*			trans	-53.4	121	166.8	177.2	0	0	0	0	107.1	L49 I53	L49-V51 PolarHBondContact O-N 2.91Å; V51-I53 PolarHBondContact O-N 2.99Å
52	P	26.6	Very low	27.5	Very low	100 Å²	100	117.7 Å²	117.7	65%	0.649	62%	0.623	S	S	*	*			trans	-62.1	108.1	-176.5	-19.2	29.8	0	0	0	109.8	P50 F54	P50-P52 WeakPolarHBondContact O-CD 3.28Å; P50-P52 VanDerWaalsContact O-N 3.16Å; P52-F54 PolarHBondContact O-N 2.82Å
53	I	25.4	Very low	27.9	Very low	161 Å²	161	115.7 Å²	115.7	83%	0.826	61%	0.614	S	S	*	*			trans	-62.7	108.6	158.6	-61.3	173.7	0	0	0	104.5	V51 P55	V51-I53 PolarHBondContact O-N 2.99Å; I53-P55 VanDerWaalsContact O-CD 3.29Å; I53-P55 WeakPolarHBondContact O-CD 3.22Å
54	F	26.3	Very low	28.3	Very low	67 Å²	67	113.2 Å²	113.2	29%	0.294	60%	0.599	S	S	.	*			trans	-49.3	119.2	-175.7	-81.3	-84.8	0	0	0	109.8	P52 S56 E67 L71	P52-F54 PolarHBondContact O-N 2.82Å; F54-S56 PolarHBondContact O-N 2.86Å; F54-E67 HydrophobicContact CE1-CB 3.63Å; F54-E67 HydrophobicContact CE1-CG 4.05Å; F54-E67 HydrophobicContact CZ-CB 3.61Å; F54-E67 HydrophobicContact CZ-CG 4.43Å; F54-L71 HydrophobicContact CE2-CD1 4.08Å; F54-L71 HydrophobicContact CZ-CD1 4.2Å
55	P	25.1	Very low	28.7	Very low	67 Å²	67	109.8 Å²	109.8	44%	0.435	58%	0.584	S	S	.	*			trans	-53.1	138.9	172.9	-24.8	32.5	0	0	0	108.9	I53 K57 Y58	I53-P55 VanDerWaalsContact O-CD 3.29Å; I53-P55 WeakPolarHBondContact O-CD 3.22Å; P55-K57 PolarHBondContact O-N 2.88Å; P55-Y58 HydrophobicContact CB-CD2 3.95Å; P55-Y58 HydrophobicContact CB-CE2 4.06Å; P55-Y58 HydrophobicContact CG-CD2 4Å; P55-Y58 HydrophobicContact CG-CE2 3.87Å; P55-Y58 PolarHBondContact O-N 2.95Å
56	S	25.2	Very low	29.2	Very low	98 Å²	98	112.2 Å²	112.2	69%	0.685	58%	0.58	S	S	*	*	G	3₁₀ helix	trans	-51.7	-14	179.5	54.2	0	0	0	0	114.9	F54 Y58	F54-S56 PolarHBondContact O-N 2.86Å; S56-Y58 VanDerWaalsContact C-N 3.34Å
57	K	25.8	Very low	29.8	Very low	189 Å²	189	109.1 Å²	109.1	82%	0.822	56%	0.561	S	S	*	*	G	3₁₀ helix	trans	-70.6	-19.6	175.7	-60.7	-175.7	178.4	-178.3	0	114.6	P55	P55-K57 PolarHBondContact O-N 2.88Å
58	Y	25.8	Very low	30.4	Very low	95 Å²	95	101 Å²	101	37%	0.373	52%	0.524	S	S	.	.	G	3₁₀ helix	trans	-98.2	-7	-178	-64.1	-78.9	0	0	0	114.1	P55 S56 N60 S61 E63 F64	P55-Y58 HydrophobicContact CB-CD2 3.95Å; P55-Y58 HydrophobicContact CB-CE2 4.06Å; P55-Y58 HydrophobicContact CG-CD2 4Å; P55-Y58 HydrophobicContact CG-CE2 3.87Å; P55-Y58 PolarHBondContact O-N 2.95Å; S56-Y58 VanDerWaalsContact C-N 3.34Å; Y58-N60 PolarHBondContact O-N 2.75Å; Y58-S61 PolarHBondContact O-N 3.38Å; Y58-S61 PolarHBondContact O-OG 2.72Å; Y58-E63 HydrophobicContact CD1-CB 4.36Å; Y58-E63 VanDerWaalsContact CD1-OE2 3.32Å; Y58-E63 WeakPolarHBondContact CD1-OE2 3.48Å; Y58-E63 VanDerWaalsContact CE1-OE2 3.31Å; Y58-E63 WeakPolarHBondContact CE1-OE2 3.33Å; Y58-F64 WeakPolarHBondContact O-CB 3.24Å
59	I	31.3	Very low	30.8	Very low	62 Å²	62	97.4 Å²	97.4	32%	0.318	51%	0.505	S	S	.	.	T	Hydrogen-bonded Turn	trans	-61.6	-19.3	-168.5	-66.9	179.9	0	0	0	114.2
60	N	29.1	Very low	31.6	Very low	129 Å²	129	95.7 Å²	95.7	69%	0.69	49%	0.491	S	S	*	.	T	Hydrogen-bonded Turn	trans	-116	18.3	-176.9	-79.1	-10.9	0	0	0	114.7	Y58	Y58-N60 PolarHBondContact O-N 2.75Å
61	S	30.3	Very low	32	Very low	32 Å²	32	94.8 Å²	94.8	22%	0.224	48%	0.479	C	S	.	.	S	Bend	trans	-116.3	147.7	-170.7	65.6	0	0	0	0	112.5	Y58 E63 F64	Y58-S61 PolarHBondContact O-N 3.38Å; Y58-S61 PolarHBondContact O-OG 2.72Å; S61-E63 PolarHBondContact O-N 3.32Å; S61-E63 WeakPolarHBondContact OG-CB 3.37Å; S61-E63 PolarHBondContact OG-N 2.82Å; S61-F64 WeakPolarHBondContact O-CB 3.45Å; S61-F64 PolarHBondContact O-N 2.97Å; S61-F64 PolarHBondContact OG-N 3.41Å
62	D	32.8	Very low	32.3	Very low	129 Å²	129	90.1 Å²	90.1	69%	0.69	45%	0.453	S	S	*	.	H	α-helix	trans	-49	-20.5	160.6	-79	-23.4	0	0	0	112.1	F65 R66	D62-F65 PolarHBondContact O-N 2.88Å; D62-R66 WeakPolarHBondContact O-CB 3.3Å; D62-R66 VanDerWaalsContact O-CG 3.29Å; D62-R66 WeakPolarHBondContact O-CG 3.49Å; D62-R66 PolarHBondContact O-N 3.48Å
63	E	36.4	Very low	32.5	Very low	103 Å²	103	92.6 Å²	92.6	48%	0.481	46%	0.456	S	S	.	.	H	α-helix	trans	-65.5	-40.6	173.3	-125.6	173.2	177.2	0	0	112.7	Y58 S61 F65 R66 E67	Y58-E63 HydrophobicContact CD1-CB 4.36Å; Y58-E63 VanDerWaalsContact CD1-OE2 3.32Å; Y58-E63 WeakPolarHBondContact CD1-OE2 3.48Å; Y58-E63 VanDerWaalsContact CE1-OE2 3.31Å; Y58-E63 WeakPolarHBondContact CE1-OE2 3.33Å; S61-E63 PolarHBondContact O-N 3.32Å; S61-E63 WeakPolarHBondContact OG-CB 3.37Å; S61-E63 PolarHBondContact OG-N 2.82Å; E63-F65 VanDerWaalsContact C-N 3.34Å; E63-F65 PolarHBondContact O-N 2.88Å; E63-R66 PolarHBondContact O-N 3.12Å; E63-E67 WeakPolarHBondContact O-CB 3.43Å; E63-E67 VanDerWaalsContact O-CG 3.3Å; E63-E67 WeakPolarHBondContact O-CG 3.31Å; E63-E67 PolarHBondContact O-N 3.28Å
64	F	37.4	Very low	32.7	Very low	37 Å²	37	89.1 Å²	89.1	16%	0.162	45%	0.446	C	S	.	.	H	α-helix	trans	-60.2	-46.2	172.2	175.5	-100.2	0	0	0	110.6	Y58 S61 E67 T68 W94	Y58-F64 WeakPolarHBondContact O-CB 3.24Å; S61-F64 WeakPolarHBondContact O-CB 3.45Å; S61-F64 PolarHBondContact O-N 2.97Å; S61-F64 PolarHBondContact OG-N 3.41Å; F64-E67 PolarHBondContact O-N 3.31Å; F64-T68 WeakPolarHBondContact O-CB 3.46Å; F64-T68 PolarHBondContact O-N 3.26Å; F64-T68 PolarHBondContact O-OG1 3.49Å; F64-W94 AromaticContact CE1-CD1 3.82Å; F64-W94 HydrophobicContact CE1-CG 4.5Å
65	F	37.2	Very low	32.9	Very low	82 Å²	82	87.7 Å²	87.7	36%	0.36	44%	0.444	S	S	.	.	H	α-helix	trans	-62.6	-44	176.5	-85.9	-86.1	0	0	0	112.3	D62 E63 L69 Y87	D62-F65 PolarHBondContact O-N 2.88Å; E63-F65 VanDerWaalsContact C-N 3.34Å; E63-F65 PolarHBondContact O-N 2.88Å; F65-L69 WeakPolarHBondContact O-CB 3.43Å; F65-L69 WeakPolarHBondContact O-CD1 3.17Å; F65-L69 WeakPolarHBondContact O-CG 3.42Å; F65-L69 PolarHBondContact O-N 2.97Å; F65-Y87 HydrophobicContact CD1-CE2 4.49Å; F65-Y87 HydrophobicContact CE1-CE2 4.4Å
66	R	41.3	Very low	33.2	Very low	172 Å²	172	90.7 Å²	90.7	65%	0.649	47%	0.467	S	S	*	.	H	α-helix	trans	-63.8	-42.2	176.7	-78.6	177.6	-175.2	-121.6	3.9	112.4	D62 E63 L69 K70	D62-R66 WeakPolarHBondContact O-CB 3.3Å; D62-R66 VanDerWaalsContact O-CG 3.29Å; D62-R66 WeakPolarHBondContact O-CG 3.49Å; D62-R66 PolarHBondContact O-N 3.48Å; E63-R66 PolarHBondContact O-N 3.12Å; R66-L69 PolarHBondContact O-N 3.44Å; R66-K70 WeakPolarHBondContact O-CG 3.29Å; R66-K70 PolarHBondContact O-N 3.17Å
67	E	41.3	Very low	33.8	Very low	65 Å²	65	93.5 Å²	93.5	30%	0.304	47%	0.469	S	S	.	.	H	α-helix	trans	-72.8	-35.7	179.7	-72.1	-62.3	135.1	0	0	112	F54 E63 F64 L69 K70 L71	F54-E67 HydrophobicContact CE1-CB 3.63Å; F54-E67 HydrophobicContact CE1-CG 4.05Å; F54-E67 HydrophobicContact CZ-CB 3.61Å; F54-E67 HydrophobicContact CZ-CG 4.43Å; E63-E67 WeakPolarHBondContact O-CB 3.43Å; E63-E67 VanDerWaalsContact O-CG 3.3Å; E63-E67 WeakPolarHBondContact O-CG 3.31Å; E63-E67 PolarHBondContact O-N 3.28Å; F64-E67 PolarHBondContact O-N 3.31Å; E67-L69 VanDerWaalsContact C-N 3.32Å; E67-L69 PolarHBondContact O-N 2.7Å; E67-K70 PolarHBondContact O-N 2.82Å; E67-K70 WeakPolarHBondContact OE1-CD 3.46Å; E67-K70 IonicContact OE1-NZ 2.79Å; E67-K70 PolarHBondContact OE1-NZ 2.88Å; E67-L71 WeakPolarHBondContact O-CG 3.44Å; E67-L71 PolarHBondContact O-N 3.12Å
68	T	39.5	Very low	34.2	Very low	15 Å²	15	87.3 Å²	87.3	9%	0.092	45%	0.445	C	S	.	.	H	α-helix	trans	-65.9	-37.4	173.1	-46.8	0	0	0	0	111.4	F64 G72 N90	F64-T68 WeakPolarHBondContact O-CB 3.46Å; F64-T68 PolarHBondContact O-N 3.26Å; F64-T68 PolarHBondContact O-OG1 3.49Å; T68-G72 PolarHBondContact O-N 2.95Å; T68-G72 VanDerWaalsContact O-N 3.17Å; T68-N90 HydrophobicContact CG2-CB 3.95Å; T68-N90 WeakPolarHBondContact CG2-ND2 3.31Å
69	L	34	Very low	34.9	Very low	78 Å²	78	86.3 Å²	86.3	41%	0.408	45%	0.448	S	S	.	.	H	α-helix	trans	-67.9	-39.6	172.1	-82.1	162.3	0	0	0	112.1	F65 R66 E67 G72 Q73	F65-L69 WeakPolarHBondContact O-CB 3.43Å; F65-L69 WeakPolarHBondContact O-CD1 3.17Å; F65-L69 WeakPolarHBondContact O-CG 3.42Å; F65-L69 PolarHBondContact O-N 2.97Å; R66-L69 PolarHBondContact O-N 3.44Å; E67-L69 VanDerWaalsContact C-N 3.32Å; E67-L69 PolarHBondContact O-N 2.7Å; L69-G72 PolarHBondContact O-N 3.34Å; L69-Q73 WeakPolarHBondContact O-CB 3.38Å; L69-Q73 VanDerWaalsContact O-CG 3.24Å; L69-Q73 WeakPolarHBondContact O-CG 3.22Å; L69-Q73 PolarHBondContact O-N 2.79Å
70	K	40.7	Very low	35.1	Very low	110 Å²	110	88.3 Å²	88.3	48%	0.478	47%	0.465	S	S	.	.	H	α-helix	trans	-62.5	-44.2	173.5	-76.6	176.3	-171.3	171.8	0	111.3	R66 E67 G72 Q73 S74	R66-K70 WeakPolarHBondContact O-CG 3.29Å; R66-K70 PolarHBondContact O-N 3.17Å; E67-K70 PolarHBondContact O-N 2.82Å; E67-K70 WeakPolarHBondContact OE1-CD 3.46Å; E67-K70 IonicContact OE1-NZ 2.79Å; E67-K70 PolarHBondContact OE1-NZ 2.88Å; K70-G72 PolarHBondContact O-N 3.06Å; K70-Q73 CarbonylContact O-C 3.45Å; K70-Q73 WeakPolarHBondContact O-CA 3.43Å; K70-Q73 PolarHBondContact O-N 3.06Å; K70-S74 WeakPolarHBondContact O-CA 3.04Å; K70-S74 WeakPolarHBondContact O-CB 3.46Å; K70-S74 PolarHBondContact O-N 3.37Å; K70-S74 PolarHBondContact O-OG 3.48Å
71	L	34	Very low	35.4	Very low	93 Å²	93	84.5 Å²	84.5	49%	0.487	45%	0.452	S	S	.	.	H	α-helix	trans	-60.2	-33.9	176	-76.7	163.5	0	0	0	112.8	F54 E67 Q73	F54-L71 HydrophobicContact CE2-CD1 4.08Å; F54-L71 HydrophobicContact CZ-CD1 4.2Å; E67-L71 WeakPolarHBondContact O-CG 3.44Å; E67-L71 PolarHBondContact O-N 3.12Å; L71-Q73 VanDerWaalsContact C-N 3.35Å
72	G	31.9	Very low	35.9	Very low	9 Å²	9	86.8 Å²	86.8	9%	0.093	46%	0.459	C	S	.	.	H	α-helix	trans	-79.6	-11.4	173.3	0	0	0	0	0	115.1	T68 L69 K70 S83	T68-G72 PolarHBondContact O-N 2.95Å; T68-G72 VanDerWaalsContact O-N 3.17Å; L69-G72 PolarHBondContact O-N 3.34Å; K70-G72 PolarHBondContact O-N 3.06Å; G72-S83 PolarHBondContact O-OG 2.88Å
73	Q	31.6	Very low	36.2	Very low	152 Å²	152	82.1 Å²	82.1	71%	0.71	44%	0.437	S	S	*	.	H	α-helix	trans	-111.5	-16.7	-179.7	-72.8	177.3	-6.9	0	0	113.2	L69 K70 L71	L69-Q73 WeakPolarHBondContact O-CB 3.38Å; L69-Q73 VanDerWaalsContact O-CG 3.24Å; L69-Q73 WeakPolarHBondContact O-CG 3.22Å; L69-Q73 PolarHBondContact O-N 2.79Å; K70-Q73 CarbonylContact O-C 3.45Å; K70-Q73 WeakPolarHBondContact O-CA 3.43Å; K70-Q73 PolarHBondContact O-N 3.06Å; L71-Q73 VanDerWaalsContact C-N 3.35Å
74	S	30.6	Very low	36.4	Very low	88 Å²	88	81.7 Å²	81.7	62%	0.615	44%	0.437	S	S	*	.	S	Bend	trans	-92.4	-5.4	-171.8	61.5	0	0	0	0	114.1	K70	K70-S74 WeakPolarHBondContact O-CA 3.04Å; K70-S74 WeakPolarHBondContact O-CB 3.46Å; K70-S74 PolarHBondContact O-N 3.37Å; K70-S74 PolarHBondContact O-OG 3.48Å
75	S	30	Very low	36.7	Very low	36 Å²	36	84 Å²	84	25%	0.252	45%	0.448	S	S	.	.			trans	-99.9	122.7	164.7	73.3	0	0	0	0	108.8	E77 L78	S75-E77 PolarHBondContact O-N 3.44Å; S75-L78 PolarHBondContact O-N 2.95Å; S75-L78 WeakPolarHBondContact OG-CB 3.46Å; S75-L78 WeakPolarHBondContact OG-CD1 3.29Å; S75-L78 WeakPolarHBondContact OG-CG 3.46Å; S75-L78 PolarHBondContact OG-N 3Å
76	S	31.3	Very low	37	Very low	130 Å²	130	82.1 Å²	82.1	91%	0.909	44%	0.444	S	S	*	.	T	Hydrogen-bonded Turn	trans	-63.4	9.8	162.1	50.9	0	0	0	0	112.8
77	E	37.5	Very low	37.1	Very low	157 Å²	157	78.7 Å²	78.7	73%	0.734	43%	0.431	S	S	*	.	T	Hydrogen-bonded Turn	trans	-116.4	-11.8	-169.3	-59.6	-175.9	162.3	0	0	112.4	S75	S75-E77 PolarHBondContact O-N 3.44Å
78	L	34.8	Very low	37.2	Very low	60 Å²	60	79.9 Å²	79.9	31%	0.314	44%	0.439	S	S	.	.			trans	-95.6	122.6	174.6	-70.8	165.6	0	0	0	110	S75 E82	S75-L78 PolarHBondContact O-N 2.95Å; S75-L78 WeakPolarHBondContact OG-CB 3.46Å; S75-L78 WeakPolarHBondContact OG-CD1 3.29Å; S75-L78 WeakPolarHBondContact OG-CG 3.46Å; S75-L78 PolarHBondContact OG-N 3Å; L78-E82 HydrophobicContact CB-CB 4.28Å; L78-E82 HydrophobicContact CD2-CB 3.48Å; L78-E82 VanDerWaalsContact CD2-CB 3.48Å; L78-E82 HydrophobicContact CD2-CG 4.36Å; L78-E82 HydrophobicContact CG-CB 4.46Å
79	T	39.4	Very low	37.5	Very low	73 Å²	73	82.5 Å²	82.5	45%	0.448	45%	0.451	S	S	.	.			trans	-63.3	153.5	164.3	61.7	0	0	0	0	109.7	A81 E82 S83	T79-A81 PolarHBondContact O-N 3.38Å; T79-E82 WeakPolarHBondContact CB-OE2 3.36Å; T79-E82 PolarHBondContact N-OE2 3.37Å; T79-E82 WeakPolarHBondContact O-CA 3.32Å; T79-E82 PolarHBondContact O-N 3.35Å; T79-E82 VanDerWaalsContact OG1-CD 3.3Å; T79-E82 VanDerWaalsContact OG1-CG 3.3Å; T79-E82 WeakPolarHBondContact OG1-CG 3.14Å; T79-E82 PolarHBondContact OG1-N 3.26Å; T79-E82 PolarHBondContact OG1-OE2 2.77Å; T79-S83 PolarHBondContact O-N 2.76Å; T79-S83 PolarHBondContact O-OG 3.03Å
80	P	36.9	Very low	38	Very low	104 Å²	104	81 Å²	81	68%	0.675	44%	0.444	S	S	*	.	H	α-helix	trans	-52.3	-31.6	175.5	-28.5	35.1	0	0	0	113.8	S83 I84	P80-S83 PolarHBondContact O-N 3.39Å; P80-I84 WeakPolarHBondContact O-CD1 3.39Å; P80-I84 VanDerWaalsContact O-CG1 3.24Å; P80-I84 WeakPolarHBondContact O-CG1 3.43Å; P80-I84 PolarHBondContact O-N 2.96Å
81	A	35.6	Very low	38.2	Very low	50 Å²	50	77.1 Å²	77.1	41%	0.413	43%	0.432	S	S	.	.	H	α-helix	trans	-65.5	-42.7	174.6	0	0	0	0	0	112.2	T79 I84 Q85	T79-A81 PolarHBondContact O-N 3.38Å; A81-I84 PolarHBondContact O-N 3.06Å; A81-Q85 WeakPolarHBondContact O-CB 2.99Å; A81-Q85 PolarHBondContact O-N 3.03Å
82	E	40.7	Very low	38.7	Very low	79 Å²	79	75.5 Å²	75.5	37%	0.369	43%	0.432	S	S	.	.	H	α-helix	trans	-70.1	-34.4	176.9	-66.1	162.9	135.8	0	0	111.6	L78 T79 Q85 T86	L78-E82 HydrophobicContact CB-CB 4.28Å; L78-E82 HydrophobicContact CD2-CB 3.48Å; L78-E82 VanDerWaalsContact CD2-CB 3.48Å; L78-E82 HydrophobicContact CD2-CG 4.36Å; L78-E82 HydrophobicContact CG-CB 4.46Å; T79-E82 WeakPolarHBondContact CB-OE2 3.36Å; T79-E82 PolarHBondContact N-OE2 3.37Å; T79-E82 WeakPolarHBondContact O-CA 3.32Å; T79-E82 PolarHBondContact O-N 3.35Å; T79-E82 VanDerWaalsContact OG1-CD 3.3Å; T79-E82 VanDerWaalsContact OG1-CG 3.3Å; T79-E82 WeakPolarHBondContact OG1-CG 3.14Å; T79-E82 PolarHBondContact OG1-N 3.26Å; T79-E82 PolarHBondContact OG1-OE2 2.77Å; E82-Q85 PolarHBondContact O-N 3.47Å; E82-T86 VanDerWaalsContact O-CB 3.25Å; E82-T86 WeakPolarHBondContact O-CB 3.25Å; E82-T86 PolarHBondContact O-N 3.29Å; E82-T86 PolarHBondContact O-OG1 3.48Å
83	S	38.1	Very low	39.2	Very low	32 Å²	32	79.2 Å²	79.2	22%	0.224	45%	0.449	C	S	.	.	H	α-helix	trans	-63.1	-42.7	171.8	-53.2	0	0	0	0	111.9	G72 T79 P80 Y87	G72-S83 PolarHBondContact O-OG 2.88Å; T79-S83 PolarHBondContact O-N 2.76Å; T79-S83 PolarHBondContact O-OG 3.03Å; P80-S83 PolarHBondContact O-N 3.39Å; S83-Y87 WeakPolarHBondContact O-CB 3.46Å; S83-Y87 PolarHBondContact O-N 2.96Å
84	I	41.1	Very low	39.7	Very low	94 Å²	94	76 Å²	76	48%	0.482	43%	0.431	S	S	.	.	H	α-helix	trans	-67.4	-42.3	176.4	-69.2	164.4	0	0	0	111.1	P80 A81 T86 Y87 L88	P80-I84 WeakPolarHBondContact O-CD1 3.39Å; P80-I84 VanDerWaalsContact O-CG1 3.24Å; P80-I84 WeakPolarHBondContact O-CG1 3.43Å; P80-I84 PolarHBondContact O-N 2.96Å; A81-I84 PolarHBondContact O-N 3.06Å; I84-T86 VanDerWaalsContact C-N 3.34Å; I84-Y87 WeakPolarHBondContact O-CB 3.37Å; I84-Y87 PolarHBondContact O-N 3.35Å; I84-L88 HydrophobicContact CG2-CD1 4.02Å; I84-L88 HydrophobicContact CG2-CG 4.4Å; I84-L88 WeakPolarHBondContact O-CG 3.35Å; I84-L88 PolarHBondContact O-N 3.31Å
85	Q	43	Very low	40.2	Very low	85 Å²	85	76.3 Å²	76.3	40%	0.397	43%	0.426	S	S	.	.	H	α-helix	trans	-63.9	-41.8	177.7	-173.1	170.1	5.4	0	0	111.4	Y28 A81 E82 L88 M89	Y28-Q85 PolarHBondContact OH-NE2 2.88Å; Y28-Q85 VanDerWaalsContact OH-NE2 3.08Å; A81-Q85 WeakPolarHBondContact O-CB 2.99Å; A81-Q85 PolarHBondContact O-N 3.03Å; E82-Q85 PolarHBondContact O-N 3.47Å; Q85-L88 PolarHBondContact O-N 3.34Å; Q85-M89 VanDerWaalsContact O-CB 3.31Å; Q85-M89 WeakPolarHBondContact O-CB 3.4Å; Q85-M89 PolarHBondContact O-N 2.93Å
86	T	43.5	Very low	40.6	Very low	43 Å²	43	77.7 Å²	77.7	26%	0.264	44%	0.439	S	S	.	.	H	α-helix	trans	-62	-44	174.2	-58.7	0	0	0	0	110.8	E82 I84 M89 N90	E82-T86 VanDerWaalsContact O-CB 3.25Å; E82-T86 WeakPolarHBondContact O-CB 3.25Å; E82-T86 PolarHBondContact O-N 3.29Å; E82-T86 PolarHBondContact O-OG1 3.48Å; I84-T86 VanDerWaalsContact C-N 3.34Å; T86-M89 PolarHBondContact O-N 2.86Å; T86-N90 WeakPolarHBondContact O-CB 3.44Å; T86-N90 PolarHBondContact O-N 3.4Å; T86-N90 PolarHBondContact O-ND2 3.44Å
87	Y	42.7	Very low	40.9	Very low	100 Å²	100	77.5 Å²	77.5	39%	0.392	43%	0.427	S	S	.	.	H	α-helix	trans	-59.3	-50.2	174.8	172.2	-96	0	0	0	112.5	F65 S83 I84 M89 N90 A91	F65-Y87 HydrophobicContact CD1-CE2 4.49Å; F65-Y87 HydrophobicContact CE1-CE2 4.4Å; S83-Y87 WeakPolarHBondContact O-CB 3.46Å; S83-Y87 PolarHBondContact O-N 2.96Å; I84-Y87 WeakPolarHBondContact O-CB 3.37Å; I84-Y87 PolarHBondContact O-N 3.35Å; Y87-M89 VanDerWaalsContact C-N 3.33Å; Y87-M89 PolarHBondContact O-N 2.81Å; Y87-N90 PolarHBondContact O-N 3.21Å; Y87-A91 WeakPolarHBondContact O-CB 3.23Å; Y87-A91 PolarHBondContact O-N 2.91Å
88	L	44.1	Very low	41	Very low	89 Å²	89	71 Å²	71	47%	0.466	40%	0.397	S	S	.	.	H	α-helix	trans	-63.5	-39.2	179.8	-71.2	172.7	0	0	0	111.8	I84 Q85 A92	I84-L88 HydrophobicContact CG2-CD1 4.02Å; I84-L88 HydrophobicContact CG2-CG 4.4Å; I84-L88 WeakPolarHBondContact O-CG 3.35Å; I84-L88 PolarHBondContact O-N 3.31Å; Q85-L88 PolarHBondContact O-N 3.34Å; L88-A92 WeakPolarHBondContact O-CB 3.48Å; L88-A92 PolarHBondContact O-N 2.86Å
89	M	46.8	Very low	41.1	Very low	70 Å²	70	70.1 Å²	70.1	35%	0.345	39%	0.393	S	S	.	.	H	α-helix	trans	-66.1	-42.7	177	-169.9	167.2	69.3	0	0	111.6	V36 Q85 T86 Y87 A92 L93	V36-M89 HydrophobicContact CG1-CE 4.19Å; V36-M89 HydrophobicContact CG1-SD 4.31Å; Q85-M89 VanDerWaalsContact O-CB 3.31Å; Q85-M89 WeakPolarHBondContact O-CB 3.4Å; Q85-M89 PolarHBondContact O-N 2.93Å; T86-M89 PolarHBondContact O-N 2.86Å; Y87-M89 VanDerWaalsContact C-N 3.33Å; Y87-M89 PolarHBondContact O-N 2.81Å; M89-A92 PolarHBondContact O-N 2.82Å; M89-L93 HydrophobicContact CG-CD1 4.3Å; M89-L93 WeakPolarHBondContact O-CB 3.47Å; M89-L93 PolarHBondContact O-N 3.32Å
90	N	44.7	Very low	41	Very low	48 Å²	48	69.5 Å²	69.5	26%	0.257	39%	0.387	S	S	.	.	H	α-helix	trans	-68.2	-37.7	177.3	-71.6	-21.6	0	0	0	112.3	T68 T86 Y87 L93 W94	T68-N90 HydrophobicContact CG2-CB 3.95Å; T68-N90 WeakPolarHBondContact CG2-ND2 3.31Å; T86-N90 WeakPolarHBondContact O-CB 3.44Å; T86-N90 PolarHBondContact O-N 3.4Å; T86-N90 PolarHBondContact O-ND2 3.44Å; Y87-N90 PolarHBondContact O-N 3.21Å; N90-L93 PolarHBondContact O-N 3.03Å; N90-W94 WeakPolarHBondContact O-CB 3.23Å; N90-W94 PolarHBondContact O-N 2.6Å
91	A	44.2	Very low	41	Very low	28 Å²	28	68.6 Å²	68.6	23%	0.231	37%	0.374	C	S	.	.	H	α-helix	trans	-66	-40.2	173.7	0	0	0	0	0	112.2	Y87 W94 N95	Y87-A91 WeakPolarHBondContact O-CB 3.23Å; Y87-A91 PolarHBondContact O-N 2.91Å; A91-W94 PolarHBondContact O-N 3.26Å; A91-N95 PolarHBondContact O-N 3.31Å; A91-N95 PolarHBondContact O-ND2 2.96Å
92	A	43.4	Very low	40.8	Very low	59 Å²	59	70.8 Å²	70.8	49%	0.488	37%	0.374	S	S	.	.	H	α-helix	trans	-64.9	-41.3	173.8	0	0	0	0	0	111.9	L88 M89 N95 A96	L88-A92 WeakPolarHBondContact O-CB 3.48Å; L88-A92 PolarHBondContact O-N 2.86Å; M89-A92 PolarHBondContact O-N 2.82Å; A92-N95 PolarHBondContact O-N 2.94Å; A92-A96 WeakPolarHBondContact O-CB 3.25Å; A92-A96 PolarHBondContact O-N 2.92Å
93	L	43.3	Very low	40.5	Very low	86 Å²	86	69.7 Å²	69.7	45%	0.45	37%	0.368	S	S	.	.	H	α-helix	trans	-62.4	-43.3	173.3	-112.6	120.8	0	0	0	111.8	M89 N90 A96 L97	M89-L93 HydrophobicContact CG-CD1 4.3Å; M89-L93 WeakPolarHBondContact O-CB 3.47Å; M89-L93 PolarHBondContact O-N 3.32Å; N90-L93 PolarHBondContact O-N 3.03Å; L93-A96 PolarHBondContact O-N 3.39Å; L93-L97 HydrophobicContact CD2-CD1 3.97Å; L93-L97 VanDerWaalsContact O-CB 3.32Å; L93-L97 WeakPolarHBondContact O-CB 3.46Å; L93-L97 WeakPolarHBondContact O-CG 3.21Å; L93-L97 PolarHBondContact O-N 2.86Å
94	W	41.4	Very low	40.3	Very low	86 Å²	86	74.7 Å²	74.7	33%	0.326	39%	0.388	S	S	.	.	H	α-helix	trans	-59.9	-48.1	176.4	-175.2	92.6	0	0	0	111.4	F64 N90 A91 A96 L97 N98	F64-W94 AromaticContact CE1-CD1 3.82Å; F64-W94 HydrophobicContact CE1-CG 4.5Å; N90-W94 WeakPolarHBondContact O-CB 3.23Å; N90-W94 PolarHBondContact O-N 2.6Å; A91-W94 PolarHBondContact O-N 3.26Å; W94-A96 VanDerWaalsContact C-N 3.31Å; W94-A96 PolarHBondContact O-N 3.39Å; W94-L97 PolarHBondContact O-N 3.49Å; W94-N98 PolarHBondContact NE1-ND2 2.95Å; W94-N98 WeakPolarHBondContact O-CB 3.24Å; W94-N98 PolarHBondContact O-N 3.44Å
95	N	41.1	Very low	39.7	Very low	94 Å²	94	77.4 Å²	77.4	50%	0.503	40%	0.399	S	S	.	.	H	α-helix	trans	-63.2	-36.2	176.6	-76.1	-38.8	0	0	0	112.5	A91 A92 L99	A91-N95 PolarHBondContact O-N 3.31Å; A91-N95 PolarHBondContact O-ND2 2.96Å; A92-N95 PolarHBondContact O-N 2.94Å; N95-L99 WeakPolarHBondContact O-CB 3.35Å; N95-L99 PolarHBondContact O-N 3.28Å; N95-L99 VanDerWaalsContact O-N 3.16Å
96	A	39.7	Very low	39.1	Very low	65 Å²	65	76.9 Å²	76.9	54%	0.537	40%	0.403	S	S	.	.	H	α-helix	trans	-71.3	-39.9	176.9	0	0	0	0	0	112.7	A92 L93 W94	A92-A96 WeakPolarHBondContact O-CB 3.25Å; A92-A96 PolarHBondContact O-N 2.92Å; L93-A96 PolarHBondContact O-N 3.39Å; W94-A96 VanDerWaalsContact C-N 3.31Å; W94-A96 PolarHBondContact O-N 3.39Å
97	L	37	Very low	38.4	Very low	126 Å²	126	82.4 Å²	82.4	66%	0.66	42%	0.42	S	S	*	.	H	α-helix	trans	-75.3	-34.5	-179.7	-71.3	170.5	0	0	0	112.4	L93 W94	L93-L97 HydrophobicContact CD2-CD1 3.97Å; L93-L97 VanDerWaalsContact O-CB 3.32Å; L93-L97 WeakPolarHBondContact O-CB 3.46Å; L93-L97 WeakPolarHBondContact O-CG 3.21Å; L93-L97 PolarHBondContact O-N 2.86Å; W94-L97 PolarHBondContact O-N 3.49Å
98	N	38.5	Very low	37.7	Very low	19 Å²	19	84.4 Å²	84.4	10%	0.102	44%	0.438	C	S	.	.	S	Bend	trans	-95.2	4.8	-179.8	-69	-26.9	0	0	0	113.9	W94 D100 Q101 F102	W94-N98 PolarHBondContact NE1-ND2 2.95Å; W94-N98 WeakPolarHBondContact O-CB 3.24Å; W94-N98 PolarHBondContact O-N 3.44Å; N98-D100 PolarHBondContact O-N 3.42Å; N98-D100 VanDerWaalsContact O-N 3.16Å; N98-Q101 PolarHBondContact O-N 2.87Å; N98-Q101 PolarHBondContact OD1-OE1 3.42Å; N98-F102 WeakPolarHBondContact O-CB 3.45Å; N98-F102 PolarHBondContact O-N 2.84Å
99	L	38.5	Very low	36.8	Very low	43 Å²	43	87.4 Å²	87.4	23%	0.225	45%	0.454	C	S	.	.	H	α-helix	trans	-55.4	-33.5	175.4	-152.3	87	0	0	0	112	N95 K103 V128	N95-L99 WeakPolarHBondContact O-CB 3.35Å; N95-L99 PolarHBondContact O-N 3.28Å; N95-L99 VanDerWaalsContact O-N 3.16Å; L99-K103 WeakPolarHBondContact O-CB 3.27Å; L99-K103 WeakPolarHBondContact O-CD 3.49Å; L99-K103 WeakPolarHBondContact O-CG 3.4Å; L99-K103 PolarHBondContact O-N 2.96Å; L99-V128 HydrophobicContact CD1-CG1 4.35Å; L99-V128 HydrophobicContact CD1-CG2 4.13Å; L99-V128 HydrophobicContact CD2-CG1 4.04Å; L99-V128 HydrophobicContact CG-CG1 4.34Å
100	D	36.8	Very low	35.9	Very low	60 Å²	60	91.5 Å²	91.5	32%	0.321	48%	0.477	S	S	.	.	H	α-helix	trans	-78.5	-30.7	177.8	-76.9	-20.9	0	0	0	112.9	N98 Q104 R172	N98-D100 PolarHBondContact O-N 3.42Å; N98-D100 VanDerWaalsContact O-N 3.16Å; D100-Q104 WeakPolarHBondContact O-CB 3.47Å; D100-Q104 VanDerWaalsContact O-CG 3.25Å; D100-Q104 WeakPolarHBondContact O-CG 3.35Å; D100-Q104 PolarHBondContact O-N 2.94Å; D100-R172 IonicContact OD2-CZ 2.72Å; D100-R172 IonicContact OD2-NH1 3.58Å; D100-R172 PolarHBondContact OD2-NH1 2.96Å; D100-R172 VanDerWaalsContact OD2-NH1 3.12Å; D100-R172 IonicContact OD2-NH2 3.88Å; D100-R172 PolarHBondContact OD2-NH2 3.26Å
101	Q	35.9	Very low	35.1	Very low	85 Å²	85	98 Å²	98	40%	0.397	51%	0.506	S	S	.	.	H	α-helix	trans	-71.8	-39.2	170.2	-84	-177.4	-10.7	0	0	111.6	N98 Q104 Q105	N98-Q101 PolarHBondContact O-N 2.87Å; N98-Q101 PolarHBondContact OD1-OE1 3.42Å; Q101-Q104 PolarHBondContact O-N 3.42Å; Q101-Q105 WeakPolarHBondContact O-CG 3.37Å; Q101-Q105 PolarHBondContact O-N 3.19Å
102	F	32.8	Very low	34.3	Very low	95 Å²	95	105 Å²	105	42%	0.417	53%	0.533	S	S	.	.	H	α-helix	trans	-63.1	-44.6	173.2	-170.3	-99.8	0	0	0	111.1	N98 Q105 C106	N98-F102 WeakPolarHBondContact O-CB 3.45Å; N98-F102 PolarHBondContact O-N 2.84Å; F102-Q105 PolarHBondContact O-N 3.45Å; F102-C106 PolarHBondContact O-N 3.02Å; F102-C106 PolarHBondContact O-SG 2.89Å
103	K	34.8	Very low	33.5	Very low	57 Å²	57	107.7 Å²	107.7	25%	0.248	54%	0.544	C	S	.	.	H	α-helix	trans	-61.1	-45	172	-75.6	169.8	-177.4	179.9	0	111.6	L99 Q105 C106 Y107	L99-K103 WeakPolarHBondContact O-CB 3.27Å; L99-K103 WeakPolarHBondContact O-CD 3.49Å; L99-K103 WeakPolarHBondContact O-CG 3.4Å; L99-K103 PolarHBondContact O-N 2.96Å; K103-Q105 VanDerWaalsContact C-N 3.32Å; K103-Q105 PolarHBondContact O-N 3.43Å; K103-C106 PolarHBondContact O-N 3.37Å; K103-Y107 HydrophobicContact CB-CD2 4.33Å; K103-Y107 WeakPolarHBondContact O-CB 3.34Å; K103-Y107 WeakPolarHBondContact O-CD2 3.32Å; K103-Y107 PolarHBondContact O-N 3.08Å
104	Q	32.8	Very low	32.7	Very low	137 Å²	137	110.7 Å²	110.7	64%	0.64	56%	0.56	S	S	*	*	H	α-helix	trans	-65.1	-32.8	178.5	-77.7	179.3	-0.3	0	0	113.4	D100 Q101 N108	D100-Q104 WeakPolarHBondContact O-CB 3.47Å; D100-Q104 VanDerWaalsContact O-CG 3.25Å; D100-Q104 WeakPolarHBondContact O-CG 3.35Å; D100-Q104 PolarHBondContact O-N 2.94Å; Q101-Q104 PolarHBondContact O-N 3.42Å; Q104-N108 PolarHBondContact O-N 3.36Å
105	Q	29.7	Very low	32.1	Very low	151 Å²	151	112.1 Å²	112.1	71%	0.706	57%	0.574	S	S	*	*	H	α-helix	trans	-70.6	-35.7	172.2	-74.1	177.9	-15.3	0	0	112.4	Q101 F102 K103	Q101-Q105 WeakPolarHBondContact O-CG 3.37Å; Q101-Q105 PolarHBondContact O-N 3.19Å; F102-Q105 PolarHBondContact O-N 3.45Å; K103-Q105 VanDerWaalsContact C-N 3.32Å; K103-Q105 PolarHBondContact O-N 3.43Å
106	C	28.9	Very low	31.5	Very low	74 Å²	74	117.1 Å²	117.1	50%	0.5	59%	0.594	S	S	.	*	H	α-helix	trans	-77	-22.6	176.1	-65.3	0	0	0	0	114.2	F102 K103	F102-C106 PolarHBondContact O-N 3.02Å; F102-C106 PolarHBondContact O-SG 2.89Å; K103-C106 PolarHBondContact O-N 3.37Å
107	Y	28.6	Very low	31.1	Very low	158 Å²	158	122 Å²	122	62%	0.62	60%	0.603	S	S	*	*	T	Hydrogen-bonded Turn	trans	-107.1	11.6	-176.9	-76.4	-75.7	0	0	0	114.1	K103 L109	K103-Y107 HydrophobicContact CB-CD2 4.33Å; K103-Y107 WeakPolarHBondContact O-CB 3.34Å; K103-Y107 WeakPolarHBondContact O-CD2 3.32Å; K103-Y107 PolarHBondContact O-N 3.08Å; Y107-L109 PolarHBondContact O-N 2.99Å
108	N	27.7	Very low	30.9	Very low	143 Å²	143	118.3 Å²	118.3	77%	0.765	58%	0.584	S	S	*	*			trans	-71.7	82.9	168	-106.3	-12	0	0	0	109.7	Q104 N110	Q104-N108 PolarHBondContact O-N 3.36Å; N108-N110 PolarHBondContact O-N 2.78Å
109	L	27.1	Very low	30.3	Very low	152 Å²	152	123.5 Å²	123.5	80%	0.796	61%	0.611	S	S	*	*			trans	-79.6	67	-176	-151.1	106.3	0	0	0	109.5	Y107	Y107-L109 PolarHBondContact O-N 2.99Å
110	N	26.9	Very low	29.8	Very low	155 Å²	155	125.7 Å²	125.7	83%	0.829	63%	0.63	S	S	*	*			trans	-161.6	65.6	167.6	-85.7	-28.7	0	0	0	108.3	N108	N108-N110 PolarHBondContact O-N 2.78Å
111	E	28	Very low	29.4	Very low	184 Å²	184	127.4 Å²	127.4	86%	0.86	64%	0.636	S	S	*	*			trans	176.5	113.9	143.9	-98.5	164.8	-173	0	0	110
112	H	26.4	Very low	28.9	Very low	176 Å²	176	128.9 Å²	128.9	82%	0.815	64%	0.643	S	S	*	*			trans	-9.4	139.5	148.2	-70.7	-92.3	0	0	0	116
113	T	27.4	Very low	28.7	Very low	115 Å²	115	130.3 Å²	130.3	71%	0.706	65%	0.654	S	S	*	*			trans	95.4	54.7	171.6	67.1	0	0	0	0	117.8	N115	T113-N115 PolarHBondContact O-N 3.21Å
114	L	27.8	Very low	28.7	Very low	150 Å²	150	131.8 Å²	131.8	79%	0.785	66%	0.664	S	S	*	*			trans	-72.5	81.9	148.1	-130.2	96	0	0	0	108.3	N118	L114-N118 HydrophobicContact CD2-CB 4.22Å
115	N	28.2	Very low	28.5	Very low	115 Å²	115	128.9 Å²	128.9	62%	0.615	65%	0.652	S	S	*	*			trans	-58.7	144.8	170.8	-78.9	-30.5	0	0	0	109.7	T113 K117	T113-N115 PolarHBondContact O-N 3.21Å; N115-K117 PolarHBondContact O-N 3.3Å
116	E	27.5	Very low	28.4	Very low	199 Å²	199	126.2 Å²	126.2	93%	0.93	64%	0.643	S	S	*	*	T	Hydrogen-bonded Turn	trans	-58.1	17.1	-172.1	-64	175	139.5	0	0	116.6
117	K	32.3	Very low	28.5	Very low	167 Å²	167	126.8 Å²	126.8	73%	0.726	64%	0.644	S	S	*	*	T	Hydrogen-bonded Turn	trans	-95.2	0.6	178.5	-74.4	-174.1	173.9	-178.5	0	115	N115	N115-K117 PolarHBondContact O-N 3.3Å
118	N	32.3	Very low	28.5	Very low	50 Å²	50	120.6 Å²	120.6	27%	0.267	62%	0.623	S	S	.	*	T	Hydrogen-bonded Turn	trans	-94.7	18.8	-174.4	-84.9	-14.6	0	0	0	115.9	L114 S120 Q121 Q122	L114-N118 HydrophobicContact CD2-CB 4.22Å; N118-S120 PolarHBondContact O-N 3.36Å; N118-Q121 HydrophobicContact CB-CB 4.22Å; N118-Q121 HydrophobicContact CB-CG 4.44Å; N118-Q121 VanDerWaalsContact CG-CD 3.46Å; N118-Q121 PolarHBondContact ND2-OE1 2.92Å; N118-Q121 WeakPolarHBondContact O-CA 3.36Å; N118-Q121 WeakPolarHBondContact O-CB 3.35Å; N118-Q121 PolarHBondContact O-N 3.35Å; N118-Q121 PolarHBondContact OD1-NE2 3.45Å; N118-Q121 PolarHBondContact OD1-OE1 3.26Å; N118-Q121 VanDerWaalsContact OD1-OE1 3.05Å; N118-Q122 PolarHBondContact O-N 3.09Å; N118-Q122 VanDerWaalsContact O-N 3.12Å
119	L	26.2	Very low	28.7	Very low	127 Å²	127	119.4 Å²	119.4	67%	0.665	61%	0.611	S	S	*	*	H	α-helix	trans	-61.4	-28.9	176.2	-131.4	84.4	0	0	0	112.6	Q122	L119-Q122 WeakPolarHBondContact O-CB 3.41Å; L119-Q122 PolarHBondContact O-N 3.48Å
120	S	27.4	Very low	28.9	Very low	89 Å²	89	117.5 Å²	117.5	62%	0.622	60%	0.602	S	S	*	*	H	α-helix	trans	-73.5	-23.4	172.6	56.9	0	0	0	0	113.5	N118	N118-S120 PolarHBondContact O-N 3.36Å
121	Q	27.9	Very low	29.2	Very low	97 Å²	97	115.1 Å²	115.1	45%	0.453	58%	0.584	S	S	.	*	H	α-helix	trans	-80.2	-23.8	171.8	-65.7	-174.3	-11.7	0	0	111.9	N118 I123 N124 I125	N118-Q121 HydrophobicContact CB-CB 4.22Å; N118-Q121 HydrophobicContact CB-CG 4.44Å; N118-Q121 VanDerWaalsContact CG-CD 3.46Å; N118-Q121 PolarHBondContact ND2-OE1 2.92Å; N118-Q121 WeakPolarHBondContact O-CA 3.36Å; N118-Q121 WeakPolarHBondContact O-CB 3.35Å; N118-Q121 PolarHBondContact O-N 3.35Å; N118-Q121 PolarHBondContact OD1-NE2 3.45Å; N118-Q121 PolarHBondContact OD1-OE1 3.26Å; N118-Q121 VanDerWaalsContact OD1-OE1 3.05Å; Q121-I123 VanDerWaalsContact C-N 3.32Å; Q121-I123 PolarHBondContact O-N 2.85Å; Q121-N124 PolarHBondContact O-N 2.96Å; Q121-I125 PolarHBondContact O-N 3.24Å
122	Q	27.2	Very low	29.4	Very low	115 Å²	115	109.1 Å²	109.1	54%	0.537	56%	0.56	S	S	.	*	H	α-helix	trans	-66.1	-34.3	175.4	-131.7	160.5	7.5	0	0	112.2	N118 L119 N124 I125	N118-Q122 PolarHBondContact O-N 3.09Å; N118-Q122 VanDerWaalsContact O-N 3.12Å; L119-Q122 WeakPolarHBondContact O-CB 3.41Å; L119-Q122 PolarHBondContact O-N 3.48Å; Q122-N124 PolarHBondContact O-N 2.91Å; Q122-I125 PolarHBondContact O-N 2.67Å
123	I	27.6	Very low	29.8	Very low	125 Å²	125	105.3 Å²	105.3	64%	0.641	55%	0.546	S	S	*	.	H	α-helix	trans	-67	-23.3	175.3	-62.7	172.7	0	0	0	112	Q121 T127	Q121-I123 VanDerWaalsContact C-N 3.32Å; Q121-I123 PolarHBondContact O-N 2.85Å; I123-T127 PolarHBondContact O-OG1 2.97Å
124	N	34.6	Very low	30.1	Very low	88 Å²	88	103.3 Å²	103.3	47%	0.471	53%	0.526	S	S	.	.	H	α-helix	trans	-84.6	-21.3	177	-130.6	-13.6	0	0	0	112.8	Q121 Q122 V128	Q121-N124 PolarHBondContact O-N 2.96Å; Q122-N124 PolarHBondContact O-N 2.91Å; N124-V128 VanDerWaalsContact O-CB 3.31Å; N124-V128 WeakPolarHBondContact O-CB 3.36Å; N124-V128 WeakPolarHBondContact O-CG2 3.41Å; N124-V128 PolarHBondContact O-N 3.3Å
125	I	29	Very low	30.6	Very low	76 Å²	76	99.5 Å²	99.5	39%	0.39	51%	0.506	S	S	.	.	H	α-helix	trans	-78.9	-40.3	-179.3	-67	169.7	0	0	0	111.5	Q121 Q122 V128 K129	Q121-I125 PolarHBondContact O-N 3.24Å; Q122-I125 PolarHBondContact O-N 2.67Å; I125-V128 PolarHBondContact O-N 3.12Å; I125-K129 HydrophobicContact CG2-CD 4.49Å; I125-K129 WeakPolarHBondContact O-CB 3.38Å; I125-K129 WeakPolarHBondContact O-CG 3.33Å; I125-K129 PolarHBondContact O-N 3.2Å
126	D	28.5	Very low	30.9	Very low	95 Å²	95	98.3 Å²	98.3	51%	0.508	50%	0.496	S	S	.	.	H	α-helix	trans	-70.1	-41.2	178.8	-70.2	-24.5	0	0	0	111.4	V128 K129 D130	D126-V128 VanDerWaalsContact C-N 3.3Å; D126-V128 PolarHBondContact O-N 3.45Å; D126-K129 PolarHBondContact O-N 3.39Å; D126-D130 PolarHBondContact O-N 2.95Å
127	T	29.1	Very low	31.6	Very low	87 Å²	87	92.9 Å²	92.9	53%	0.534	47%	0.47	S	S	.	.	H	α-helix	trans	-61.1	-38.7	174.2	-45.7	0	0	0	0	112	I123 F131	I123-T127 PolarHBondContact O-OG1 2.97Å; T127-F131 WeakPolarHBondContact O-CB 3.46Å; T127-F131 PolarHBondContact O-N 3.44Å; T127-F131 VanDerWaalsContact O-N 3.09Å
128	V	30.1	Very low	32	Very low	28 Å²	28	88.2 Å²	88.2	17%	0.17	45%	0.45	C	S	.	.	H	α-helix	trans	-72.2	-37.9	175.6	168.3	0	0	0	0	111.9	L99 N124 I125 D126 F131 T132	L99-V128 HydrophobicContact CD1-CG1 4.35Å; L99-V128 HydrophobicContact CD1-CG2 4.13Å; L99-V128 HydrophobicContact CD2-CG1 4.04Å; L99-V128 HydrophobicContact CG-CG1 4.34Å; N124-V128 VanDerWaalsContact O-CB 3.31Å; N124-V128 WeakPolarHBondContact O-CB 3.36Å; N124-V128 WeakPolarHBondContact O-CG2 3.41Å; N124-V128 PolarHBondContact O-N 3.3Å; I125-V128 PolarHBondContact O-N 3.12Å; D126-V128 VanDerWaalsContact C-N 3.3Å; D126-V128 PolarHBondContact O-N 3.45Å; V128-F131 PolarHBondContact O-N 2.92Å; V128-T132 WeakPolarHBondContact O-CB 3.29Å; V128-T132 PolarHBondContact O-N 2.84Å; V128-T132 PolarHBondContact O-OG1 3Å
129	K	31.8	Very low	32.1	Very low	117 Å²	117	91.4 Å²	91.4	51%	0.509	46%	0.458	S	S	.	.	H	α-helix	trans	-62.5	-45.1	173.5	-84.6	178.5	177.5	174.3	0	111.6	I125 D126 F131 T132 N133	I125-K129 HydrophobicContact CG2-CD 4.49Å; I125-K129 WeakPolarHBondContact O-CB 3.38Å; I125-K129 WeakPolarHBondContact O-CG 3.33Å; I125-K129 PolarHBondContact O-N 3.2Å; D126-K129 PolarHBondContact O-N 3.39Å; K129-F131 PolarHBondContact O-N 2.99Å; K129-T132 PolarHBondContact O-N 3.33Å; K129-N133 WeakPolarHBondContact O-CB 3.39Å; K129-N133 PolarHBondContact O-N 2.9Å
130	D	30.6	Very low	32.8	Very low	113 Å²	113	90.8 Å²	90.8	60%	0.604	45%	0.447	S	S	*	.	H	α-helix	trans	-63.6	-41.4	178.3	-78.1	-13.6	0	0	0	111.9	D126 Y134	D126-D130 PolarHBondContact O-N 2.95Å; D130-Y134 VanDerWaalsContact O-CB 3.29Å; D130-Y134 WeakPolarHBondContact O-CB 3.4Å; D130-Y134 PolarHBondContact O-N 3.06Å
131	F	32.8	Very low	33.4	Very low	105 Å²	105	91.5 Å²	91.5	46%	0.461	44%	0.439	S	S	.	.	H	α-helix	trans	-67.7	-34.8	175.6	-160.9	-95.1	0	0	0	112.9	T127 V128 K129 N135	T127-F131 WeakPolarHBondContact O-CB 3.46Å; T127-F131 PolarHBondContact O-N 3.44Å; T127-F131 VanDerWaalsContact O-N 3.09Å; V128-F131 PolarHBondContact O-N 2.92Å; K129-F131 PolarHBondContact O-N 2.99Å; F131-N135 WeakPolarHBondContact CD1-ND2 3.41Å; F131-N135 WeakPolarHBondContact CE1-ND2 3.4Å; F131-N135 PolarHBondContact O-N 2.89Å; F131-N135 PolarHBondContact O-ND2 2.85Å
132	T	32.7	Very low	33.7	Very low	57 Å²	57	90.5 Å²	90.5	35%	0.35	44%	0.437	S	S	.	.	H	α-helix	trans	-71.7	-42.9	177.6	-48.2	0	0	0	0	111.1	V128 K129 N135 F136	V128-T132 WeakPolarHBondContact O-CB 3.29Å; V128-T132 PolarHBondContact O-N 2.84Å; V128-T132 PolarHBondContact O-OG1 3Å; K129-T132 PolarHBondContact O-N 3.33Å; T132-N135 PolarHBondContact O-N 3.46Å; T132-F136 WeakPolarHBondContact O-CB 3.33Å; T132-F136 PolarHBondContact O-N 3.26Å
133	N	35.4	Very low	34	Very low	97 Å²	97	90.2 Å²	90.2	52%	0.519	44%	0.438	S	S	.	.	H	α-helix	trans	-63.3	-40.4	174.7	-77	-20.1	0	0	0	112	K129 N135 F136 E137	K129-N133 WeakPolarHBondContact O-CB 3.39Å; K129-N133 PolarHBondContact O-N 2.9Å; N133-N135 PolarHBondContact O-N 3.4Å; N133-F136 PolarHBondContact O-N 2.96Å; N133-E137 PolarHBondContact O-N 2.85Å
134	Y	33.7	Very low	34.7	Very low	73 Å²	73	89.6 Å²	89.6	29%	0.286	43%	0.433	S	S	.	.	H	α-helix	trans	-59.6	-46.5	176.3	177.3	-96.7	0	0	0	112.5	D130 E137 K138	D130-Y134 VanDerWaalsContact O-CB 3.29Å; D130-Y134 WeakPolarHBondContact O-CB 3.4Å; D130-Y134 PolarHBondContact O-N 3.06Å; Y134-E137 PolarHBondContact O-N 3.2Å; Y134-K138 HydrophobicContact CE1-CD 4.2Å; Y134-K138 WeakPolarHBondContact O-CB 3.43Å; Y134-K138 PolarHBondContact O-N 2.98Å
135	N	37.4	Very low	35	Very low	70 Å²	70	92 Å²	92	37%	0.374	44%	0.441	S	S	.	.	H	α-helix	trans	-68.8	-36	178.5	-77.4	-55.1	0	0	0	112.6	F131 T132 N133 K138 R139	F131-N135 WeakPolarHBondContact CD1-ND2 3.41Å; F131-N135 WeakPolarHBondContact CE1-ND2 3.4Å; F131-N135 PolarHBondContact O-N 2.89Å; F131-N135 PolarHBondContact O-ND2 2.85Å; T132-N135 PolarHBondContact O-N 3.46Å; N133-N135 PolarHBondContact O-N 3.4Å; N135-K138 PolarHBondContact O-N 3.38Å; N135-R139 PolarHBondContact O-N 3.05Å
136	F	36	Very low	35	Very low	90 Å²	90	93.8 Å²	93.8	40%	0.395	44%	0.444	S	S	.	.	H	α-helix	trans	-61.4	-48	173.8	-177.9	-85	0	0	0	111.7	T132 N133 R139 R140	T132-F136 WeakPolarHBondContact O-CB 3.33Å; T132-F136 PolarHBondContact O-N 3.26Å; N133-F136 PolarHBondContact O-N 2.96Å; F136-R139 PolarHBondContact O-N 2.79Å; F136-R140 WeakPolarHBondContact O-CB 3.25Å; F136-R140 PolarHBondContact O-N 3.21Å
137	E	40.8	Very low	35.2	Very low	84 Å²	84	92.3 Å²	92.3	39%	0.393	44%	0.44	S	S	.	.	H	α-helix	trans	-69.2	-34.1	178.2	-82.9	-166.3	107	0	0	113.2	N133 Y134 R140 K141	N133-E137 PolarHBondContact O-N 2.85Å; Y134-E137 PolarHBondContact O-N 3.2Å; E137-R140 PolarHBondContact O-N 3.44Å; E137-R140 IonicContact OE1-NH2 3.12Å; E137-K141 WeakPolarHBondContact O-CB 3.45Å; E137-K141 VanDerWaalsContact O-CG 3.32Å; E137-K141 WeakPolarHBondContact O-CG 3.33Å; E137-K141 PolarHBondContact O-N 2.89Å
138	K	41.2	Very low	35.6	Very low	70 Å²	70	93.4 Å²	93.4	30%	0.304	45%	0.45	S	S	.	.	H	α-helix	trans	-64	-45.3	174.8	-164.3	176	-174.6	174.3	0	110.9	D26 Y134 N135 K141 L142	D26-K138 IonicContact OD1-NZ 2.81Å; D26-K138 PolarHBondContact OD1-NZ 2.9Å; D26-K138 IonicContact OD2-NZ 3.35Å; D26-K138 PolarHBondContact OD2-NZ 2.97Å; Y134-K138 HydrophobicContact CE1-CD 4.2Å; Y134-K138 WeakPolarHBondContact O-CB 3.43Å; Y134-K138 PolarHBondContact O-N 2.98Å; N135-K138 PolarHBondContact O-N 3.38Å; K138-K141 PolarHBondContact O-N 2.95Å; K138-L142 WeakPolarHBondContact O-CB 3.5Å; K138-L142 PolarHBondContact O-N 3.21Å
139	R	34.7	Very low	35.8	Very low	116 Å²	116	97.2 Å²	97.2	44%	0.438	48%	0.479	S	S	.	.	H	α-helix	trans	-66.5	-39.1	174.2	-103.1	172.7	174.2	165.2	-0.1	112.3	N135 F136 L142 N143 E165	N135-R139 PolarHBondContact O-N 3.05Å; F136-R139 PolarHBondContact O-N 2.79Å; R139-L142 PolarHBondContact O-N 2.87Å; R139-N143 PolarHBondContact O-N 3.23Å; R139-E165 IonicContact CZ-OE1 3.63Å; R139-E165 IonicContact NH1-OE1 3.94Å; R139-E165 PolarHBondContact NH1-OE1 3.33Å; R139-E165 IonicContact NH2-OE1 2.71Å; R139-E165 PolarHBondContact NH2-OE1 3.07Å; R139-E165 IonicContact NH2-OE2 2.85Å
140	R	40.3	Very low	35.8	Very low	114 Å²	114	93.1 Å²	93.1	43%	0.43	47%	0.465	S	S	.	.	H	α-helix	trans	-59.3	-49.8	174	-170.8	-176.2	69.4	150.7	-7.4	111.3	F136 E137 L142 N143 E144	F136-R140 WeakPolarHBondContact O-CB 3.25Å; F136-R140 PolarHBondContact O-N 3.21Å; E137-R140 PolarHBondContact O-N 3.44Å; E137-R140 IonicContact OE1-NH2 3.12Å; R140-L142 VanDerWaalsContact C-N 3.3Å; R140-L142 PolarHBondContact O-N 3.37Å; R140-N143 PolarHBondContact O-N 2.93Å; R140-E144 WeakPolarHBondContact CG-OE1 3.5Å; R140-E144 IonicContact CZ-OE1 3.32Å; R140-E144 IonicContact NE-OE1 2.79Å; R140-E144 WeakPolarHBondContact O-CG 3.37Å; R140-E144 PolarHBondContact O-N 3.27Å
141	K	39.9	Very low	35.9	Very low	105 Å²	105	96.2 Å²	96.2	46%	0.457	48%	0.475	S	S	.	.	H	α-helix	trans	-62.8	-35.8	177.4	-74	170.1	-178.3	161.9	0	112.2	E137 K138 E144 H145	E137-K141 WeakPolarHBondContact O-CB 3.45Å; E137-K141 VanDerWaalsContact O-CG 3.32Å; E137-K141 WeakPolarHBondContact O-CG 3.33Å; E137-K141 PolarHBondContact O-N 2.89Å; K138-K141 PolarHBondContact O-N 2.95Å; K141-E144 PolarHBondContact O-N 2.94Å; K141-H145 WeakPolarHBondContact O-CB 3.37Å; K141-H145 PolarHBondContact O-N 3.24Å; K141-H145 PolarHBondContact O-ND1 2.93Å
142	L	34.4	Very low	35.8	Very low	76 Å²	76	95.6 Å²	95.6	40%	0.398	48%	0.476	S	S	.	.	H	α-helix	trans	-64.4	-43.9	174.3	-126.4	124	0	0	0	111.8	K138 R139 R140 E144 H145 Y146	K138-L142 WeakPolarHBondContact O-CB 3.5Å; K138-L142 PolarHBondContact O-N 3.21Å; R139-L142 PolarHBondContact O-N 2.87Å; R140-L142 VanDerWaalsContact C-N 3.3Å; R140-L142 PolarHBondContact O-N 3.37Å; L142-E144 VanDerWaalsContact C-N 3.35Å; L142-H145 PolarHBondContact O-N 2.96Å; L142-Y146 HydrophobicContact CD2-CD2 4.19Å; L142-Y146 HydrophobicContact CG-CD2 4.35Å; L142-Y146 WeakPolarHBondContact O-CD2 3.4Å; L142-Y146 PolarHBondContact O-N 3.27Å
143	N	33.6	Very low	35.6	Very low	108 Å²	108	93.8 Å²	93.8	58%	0.578	47%	0.466	S	S	*	.	H	α-helix	trans	-70.4	-29.8	177.5	-69.7	-16.8	0	0	0	112.9	R139 R140	R139-N143 PolarHBondContact O-N 3.23Å; R140-N143 PolarHBondContact O-N 2.93Å
144	E	43.2	Very low	35.3	Very low	112 Å²	112	97.8 Å²	97.8	52%	0.523	48%	0.475	S	S	.	.	H	α-helix	trans	-71.2	-36.3	171.4	-73.8	168.3	-177.2	0	0	112.1	R140 K141 L142	R140-E144 WeakPolarHBondContact CG-OE1 3.5Å; R140-E144 IonicContact CZ-OE1 3.32Å; R140-E144 IonicContact NE-OE1 2.79Å; R140-E144 WeakPolarHBondContact O-CG 3.37Å; R140-E144 PolarHBondContact O-N 3.27Å; K141-E144 PolarHBondContact O-N 2.94Å; L142-E144 VanDerWaalsContact C-N 3.35Å
145	H	39.5	Very low	35.1	Very low	139 Å²	139	103.4 Å²	103.4	64%	0.644	50%	0.497	S	S	*	.	H	α-helix	trans	-84.4	-23.2	-178.1	-76.4	51.4	0	0	0	113.7	K141 L142	K141-H145 WeakPolarHBondContact O-CB 3.37Å; K141-H145 PolarHBondContact O-N 3.24Å; K141-H145 PolarHBondContact O-ND1 2.93Å; L142-H145 PolarHBondContact O-N 2.96Å
146	Y	28.8	Very low	34.7	Very low	113 Å²	113	104 Å²	104	44%	0.443	50%	0.5	S	S	.	.	S	Bend	trans	-125.6	77.8	178.7	-60.5	-77.4	0	0	0	109.7	L142 S148 N152	L142-Y146 HydrophobicContact CD2-CD2 4.19Å; L142-Y146 HydrophobicContact CG-CD2 4.35Å; L142-Y146 WeakPolarHBondContact O-CD2 3.4Å; L142-Y146 PolarHBondContact O-N 3.27Å; Y146-S148 PolarHBondContact O-N 2.96Å; Y146-N152 HydrophobicContact CD1-CB 4.12Å; Y146-N152 HydrophobicContact CE1-CB 4.49Å
147	P	32.9	Very low	34.6	Very low	65 Å²	65	105.3 Å²	105.3	42%	0.422	51%	0.511	S	S	.	.			trans	-55.5	144.1	172.9	22.5	-31.5	0	0	0	109.4	S149 S150	P147-S149 PolarHBondContact O-N 2.97Å; P147-S150 WeakPolarHBondContact O-CB 3.48Å; P147-S150 PolarHBondContact O-N 3.32Å; P147-S150 PolarHBondContact O-OG 3.43Å
148	S	37.8	Very low	34.1	Very low	109 Å²	109	104.4 Å²	104.4	76%	0.762	51%	0.514	S	S	*	.	T	Hydrogen-bonded Turn	trans	-53	-17.1	-177.7	34.8	0	0	0	0	114	Y146 S153	Y146-S148 PolarHBondContact O-N 2.96Å; S148-S153 WeakPolarHBondContact O-CB 3.48Å; S148-S153 PolarHBondContact O-OG 3.48Å
149	S	35.3	Very low	33.6	Very low	109 Å²	109	106.5 Å²	106.5	76%	0.762	53%	0.529	S	S	*	.	T	Hydrogen-bonded Turn	trans	-81.5	-7.8	174.5	54.6	0	0	0	0	115.7	P147	P147-S149 PolarHBondContact O-N 2.97Å
150	S	31.7	Very low	33.2	Very low	31 Å²	31	106.3 Å²	106.3	22%	0.217	54%	0.544	C	S	.	.	S	Bend	trans	-78.2	144	-179.6	65.9	0	0	0	0	112	P147 N152 S153	P147-S150 WeakPolarHBondContact O-CB 3.48Å; P147-S150 PolarHBondContact O-N 3.32Å; P147-S150 PolarHBondContact O-OG 3.43Å; S150-N152 PolarHBondContact O-N 3.43Å; S150-S153 VanDerWaalsContact O-CB 3.29Å; S150-S153 WeakPolarHBondContact O-CB 3.23Å; S150-S153 PolarHBondContact O-N 3.09Å; S150-S153 PolarHBondContact O-OG 3.08Å
151	H	32.1	Very low	32.9	Very low	177 Å²	177	107.4 Å²	107.4	82%	0.819	56%	0.559	S	S	*	*	H	α-helix	trans	-54.7	-21.8	172.3	-109	8.8	0	0	0	113.3	S153 Y154	H151-S153 VanDerWaalsContact C-N 3.35Å; H151-Y154 PolarHBondContact O-N 3.2Å
152	N	29.7	Very low	32.7	Very low	92 Å²	92	105.5 Å²	105.5	49%	0.492	55%	0.553	S	S	.	*	H	α-helix	trans	-74.1	-18.8	173.3	-73.1	-19.6	0	0	0	114	Y146 S150 Y154 Y155 L156	Y146-N152 HydrophobicContact CD1-CB 4.12Å; Y146-N152 HydrophobicContact CE1-CB 4.49Å; S150-N152 PolarHBondContact O-N 3.43Å; N152-Y154 PolarHBondContact O-N 3.39Å; N152-Y155 PolarHBondContact O-N 3.17Å; N152-L156 PolarHBondContact O-N 3.06Å
153	S	29.7	Very low	32.7	Very low	19 Å²	19	109.3 Å²	109.3	13%	0.133	57%	0.566	C	S	.	*	H	α-helix	trans	-67.4	-27.8	173.2	80.2	0	0	0	0	111.8	S148 S150 H151 L156 N157	S148-S153 WeakPolarHBondContact O-CB 3.48Å; S148-S153 PolarHBondContact O-OG 3.48Å; S150-S153 VanDerWaalsContact O-CB 3.29Å; S150-S153 WeakPolarHBondContact O-CB 3.23Å; S150-S153 PolarHBondContact O-N 3.09Å; S150-S153 PolarHBondContact O-OG 3.08Å; H151-S153 VanDerWaalsContact C-N 3.35Å; S153-L156 PolarHBondContact O-N 3.42Å; S153-N157 VanDerWaalsContact O-CB 3.3Å; S153-N157 WeakPolarHBondContact O-CB 3.38Å; S153-N157 VanDerWaalsContact O-CG 3.29Å; S153-N157 PolarHBondContact O-N 3.26Å; S153-N157 PolarHBondContact O-ND2 2.86Å; S153-N157 VanDerWaalsContact O-ND2 3.12Å
154	Y	29.1	Very low	32.9	Very low	181 Å²	181	108.2 Å²	108.2	71%	0.71	56%	0.564	S	S	*	*	H	α-helix	trans	-68.7	-36	-179.9	-137.3	-90	0	0	0	112.2	H151 N152 S158	H151-Y154 PolarHBondContact O-N 3.2Å; N152-Y154 PolarHBondContact O-N 3.39Å; Y154-S158 WeakPolarHBondContact O-CB 3.36Å; Y154-S158 PolarHBondContact O-N 3.31Å; Y154-S158 PolarHBondContact O-OG 3.44Å
155	Y	28.4	Very low	32.5	Very low	191 Å²	191	107.1 Å²	107.1	75%	0.749	56%	0.559	S	S	*	*	H	α-helix	trans	-74.9	-26.1	175.1	-97.4	-87.4	0	0	0	113.6	N152 S158	N152-Y155 PolarHBondContact O-N 3.17Å; Y155-S158 WeakPolarHBondContact CA-OG 3.32Å; Y155-S158 PolarHBondContact O-OG 3.31Å
156	L	30.4	Very low	32.2	Very low	84 Å²	84	107.9 Å²	107.9	44%	0.44	56%	0.557	S	S	.	*	H	α-helix	trans	-82.2	-27.2	175.1	-72.8	165.2	0	0	0	112.3	N152 S153	N152-L156 PolarHBondContact O-N 3.06Å; S153-L156 PolarHBondContact O-N 3.42Å
157	N	33.4	Very low	32.8	Very low	116 Å²	116	107.4 Å²	107.4	62%	0.62	56%	0.559	S	S	*	*	H	α-helix	trans	-85.8	-15.9	178.4	-78.7	-33.9	0	0	0	114.4	S153	S153-N157 VanDerWaalsContact O-CB 3.3Å; S153-N157 WeakPolarHBondContact O-CB 3.38Å; S153-N157 VanDerWaalsContact O-CG 3.29Å; S153-N157 PolarHBondContact O-N 3.26Å; S153-N157 PolarHBondContact O-ND2 2.86Å; S153-N157 VanDerWaalsContact O-ND2 3.12Å
158	S	30.9	Very low	33.2	Very low	66 Å²	66	108 Å²	108	46%	0.462	56%	0.558	S	S	.	*	S	Bend	trans	-91	-12.3	-176.3	49.5	0	0	0	0	114.8	Y154 Y155 C160	Y154-S158 WeakPolarHBondContact O-CB 3.36Å; Y154-S158 PolarHBondContact O-N 3.31Å; Y154-S158 PolarHBondContact O-OG 3.44Å; Y155-S158 WeakPolarHBondContact CA-OG 3.32Å; Y155-S158 PolarHBondContact O-OG 3.31Å; S158-C160 PolarHBondContact O-N 2.97Å
159	N	30	Very low	33.3	Very low	114 Å²	114	105.5 Å²	105.5	61%	0.61	53%	0.534	S	S	*	.	S	Bend	trans	-78.2	101.4	164.3	-87.1	-7.3	0	0	0	109.3	D161 N162	N159-D161 PolarHBondContact O-N 2.93Å; N159-N162 PolarHBondContact O-N 2.91Å
160	C	27.1	Very low	33.5	Very low	112 Å²	112	106.5 Å²	106.5	76%	0.757	53%	0.525	S	S	*	.	T	Hydrogen-bonded Turn	trans	-65.8	9.2	-167.7	-70.9	0	0	0	0	116.7	S158	S158-C160 PolarHBondContact O-N 2.97Å
161	D	34	Very low	33.8	Very low	137 Å²	137	113 Å²	113	73%	0.733	54%	0.544	S	S	*	.	T	Hydrogen-bonded Turn	trans	-96.7	-20.2	171.8	-67.8	-36.9	0	0	0	113.7	N159 K163	N159-D161 PolarHBondContact O-N 2.93Å; D161-K163 PolarHBondContact O-N 3.31Å
162	N	35.5	Very low	34	Very low	65 Å²	65	110.1 Å²	110.1	35%	0.348	53%	0.526	S	S	.	.	H	α-helix	trans	-78	-17.3	-175.6	-84.1	-27.7	0	0	0	114.4	N159 Y166	N159-N162 PolarHBondContact O-N 2.91Å; N162-Y166 WeakPolarHBondContact O-CB 3.39Å; N162-Y166 PolarHBondContact O-N 2.92Å
163	K	33	Very low	34.3	Very low	155 Å²	155	111.1 Å²	111.1	67%	0.674	52%	0.523	S	S	*	.	H	α-helix	trans	-69.6	-38.7	179.7	-116.1	-179.6	-177.8	176	0	111.7	D161 Q167	D161-K163 PolarHBondContact O-N 3.31Å; K163-Q167 WeakPolarHBondContact O-CB 3.45Å; K163-Q167 VanDerWaalsContact O-CG 3.31Å; K163-Q167 WeakPolarHBondContact O-CG 3.48Å; K163-Q167 PolarHBondContact O-N 3.03Å
164	T	38.8	Very low	34.6	Very low	86 Å²	86	115.5 Å²	115.5	53%	0.528	54%	0.542	S	S	.	.	H	α-helix	trans	-70.5	-45.1	178.7	-34	0	0	0	0	109.9	Q167 I168	T164-Q167 PolarHBondContact O-N 2.88Å; T164-I168 HydrophobicContact CG2-CD1 4.12Å; T164-I168 WeakPolarHBondContact O-CB 3.42Å; T164-I168 WeakPolarHBondContact O-CD1 3.27Å; T164-I168 WeakPolarHBondContact O-CG1 3.14Å; T164-I168 PolarHBondContact O-N 2.96Å
165	E	35.5	Very low	34.9	Very low	89 Å²	89	110.2 Å²	110.2	42%	0.416	53%	0.528	S	S	.	.	H	α-helix	trans	-65.2	-40.7	178.1	-145.9	-170	138.8	0	0	112.1	R139 I168 E169	R139-E165 IonicContact CZ-OE1 3.63Å; R139-E165 IonicContact NH1-OE1 3.94Å; R139-E165 PolarHBondContact NH1-OE1 3.33Å; R139-E165 IonicContact NH2-OE1 2.71Å; R139-E165 PolarHBondContact NH2-OE1 3.07Å; R139-E165 IonicContact NH2-OE2 2.85Å; E165-I168 PolarHBondContact O-N 3.45Å; E165-E169 VanDerWaalsContact O-CB 3.29Å; E165-E169 WeakPolarHBondContact O-CB 3.48Å; E165-E169 PolarHBondContact O-N 2.91Å
166	Y	33.1	Very low	34.9	Very low	155 Å²	155	104.7 Å²	104.7	61%	0.608	51%	0.514	S	S	*	.	H	α-helix	trans	-64.7	-39.7	174.1	-177.9	-98.7	0	0	0	112.7	N162 K170	N162-Y166 WeakPolarHBondContact O-CB 3.39Å; N162-Y166 PolarHBondContact O-N 2.92Å; Y166-K170 VanDerWaalsContact O-CB 3.27Å; Y166-K170 WeakPolarHBondContact O-CB 3.07Å; Y166-K170 PolarHBondContact O-N 3.45Å
167	Q	40.2	Very low	34.9	Very low	102 Å²	102	105.6 Å²	105.6	48%	0.477	52%	0.516	S	S	.	.	H	α-helix	trans	-70.9	-33.2	175.3	-75.4	-172.3	10.9	0	0	113	K163 T164 R171	K163-Q167 WeakPolarHBondContact O-CB 3.45Å; K163-Q167 VanDerWaalsContact O-CG 3.31Å; K163-Q167 WeakPolarHBondContact O-CG 3.48Å; K163-Q167 PolarHBondContact O-N 3.03Å; T164-Q167 PolarHBondContact O-N 2.88Å; Q167-R171 WeakPolarHBondContact O-CB 3.46Å; Q167-R171 WeakPolarHBondContact O-CG 3.44Å; Q167-R171 PolarHBondContact O-N 3.42Å
168	I	41.3	Very low	35	Very low	77 Å²	77	104 Å²	104	40%	0.395	51%	0.507	S	S	.	.	H	α-helix	trans	-68.3	-45.9	174	-70.5	163.7	0	0	0	109.9	T164 E165 R171 R172	T164-I168 HydrophobicContact CG2-CD1 4.12Å; T164-I168 WeakPolarHBondContact O-CB 3.42Å; T164-I168 WeakPolarHBondContact O-CD1 3.27Å; T164-I168 WeakPolarHBondContact O-CG1 3.14Å; T164-I168 PolarHBondContact O-N 2.96Å; E165-I168 PolarHBondContact O-N 3.45Å; I168-R171 PolarHBondContact O-N 2.86Å; I168-R172 WeakPolarHBondContact O-CG 3.25Å; I168-R172 PolarHBondContact O-N 3.45Å
169	E	40.3	Very low	35.1	Very low	58 Å²	58	106 Å²	106	27%	0.271	51%	0.51	S	S	.	.	H	α-helix	trans	-65.2	-39.3	177.9	-172.1	63.1	-163.8	0	0	111.9	E165 R172 R173	E165-E169 VanDerWaalsContact O-CB 3.29Å; E165-E169 WeakPolarHBondContact O-CB 3.48Å; E165-E169 PolarHBondContact O-N 2.91Å; E169-R172 PolarHBondContact O-N 3.41Å; E169-R173 WeakPolarHBondContact O-CG 3.49Å; E169-R173 PolarHBondContact O-N 3.49Å; E169-R173 IonicContact OE1-NE 3.74Å
170	K	39.9	Very low	35.2	Very low	129 Å²	129	108.6 Å²	108.6	56%	0.561	51%	0.512	S	S	*	.	H	α-helix	trans	-63.2	-42.9	173.2	-170.8	177.8	179.9	-178.4	0	111.7	Y166 R173 Q174	Y166-K170 VanDerWaalsContact O-CB 3.27Å; Y166-K170 WeakPolarHBondContact O-CB 3.07Å; Y166-K170 PolarHBondContact O-N 3.45Å; K170-R173 PolarHBondContact O-N 2.91Å; K170-Q174 PolarHBondContact O-N 3.49Å; K170-Q174 VanDerWaalsContact O-N 3.09Å
171	R	38	Very low	35.4	Very low	167 Å²	167	110 Å²	110	63%	0.63	51%	0.507	S	S	*	.	H	α-helix	trans	-63.1	-43.9	173.7	-82.1	-174.9	-111.4	-179.3	-5.6	111.8	Q167 I168 R173 Q174 T175	Q167-R171 WeakPolarHBondContact O-CB 3.46Å; Q167-R171 WeakPolarHBondContact O-CG 3.44Å; Q167-R171 PolarHBondContact O-N 3.42Å; I168-R171 PolarHBondContact O-N 2.86Å; R171-R173 PolarHBondContact O-N 3.16Å; R171-Q174 WeakPolarHBondContact O-CB 3.4Å; R171-Q174 PolarHBondContact O-N 3.16Å; R171-T175 PolarHBondContact O-N 2.99Å; R171-T175 PolarHBondContact O-OG1 3.22Å
172	R	36.7	Very low	35.4	Very low	118 Å²	118	109.6 Å²	109.6	45%	0.445	51%	0.505	S	S	.	.	H	α-helix	trans	-57.6	-45.7	176	-78.6	179.3	178.5	-164.8	-4.9	112.4	D100 I168 E169 T175 V176	D100-R172 IonicContact OD2-CZ 2.72Å; D100-R172 IonicContact OD2-NH1 3.58Å; D100-R172 PolarHBondContact OD2-NH1 2.96Å; D100-R172 VanDerWaalsContact OD2-NH1 3.12Å; D100-R172 IonicContact OD2-NH2 3.88Å; D100-R172 PolarHBondContact OD2-NH2 3.26Å; I168-R172 WeakPolarHBondContact O-CG 3.25Å; I168-R172 PolarHBondContact O-N 3.45Å; E169-R172 PolarHBondContact O-N 3.41Å; R172-T175 PolarHBondContact O-N 3.42Å; R172-V176 WeakPolarHBondContact O-CG2 3.32Å; R172-V176 PolarHBondContact O-N 3.49Å
173	R	35.7	Very low	35.2	Very low	113 Å²	113	113.2 Å²	113.2	43%	0.426	52%	0.52	S	S	.	.	H	α-helix	trans	-66.1	-37.8	177.7	-72.9	-174.8	-177.1	-136	3.7	112.7	E169 K170 R171 H177	E169-R173 WeakPolarHBondContact O-CG 3.49Å; E169-R173 PolarHBondContact O-N 3.49Å; E169-R173 IonicContact OE1-NE 3.74Å; K170-R173 PolarHBondContact O-N 2.91Å; R171-R173 PolarHBondContact O-N 3.16Å; R173-H177 WeakPolarHBondContact O-CB 3.17Å; R173-H177 PolarHBondContact O-N 2.89Å
174	Q	34.8	Very low	35	Very low	110 Å²	110	110 Å²	110	51%	0.514	52%	0.517	S	S	.	.	H	α-helix	trans	-60.9	-48.1	173.1	-153.2	81.9	35.3	0	0	110.3	K170 R171 V176 H177 D178	K170-Q174 PolarHBondContact O-N 3.49Å; K170-Q174 VanDerWaalsContact O-N 3.09Å; R171-Q174 WeakPolarHBondContact O-CB 3.4Å; R171-Q174 PolarHBondContact O-N 3.16Å; Q174-V176 PolarHBondContact O-N 3.36Å; Q174-H177 PolarHBondContact O-N 3.27Å; Q174-D178 WeakPolarHBondContact O-CB 3.36Å; Q174-D178 PolarHBondContact O-N 2.96Å
175	T	35.1	Very low	34.6	Very low	71 Å²	71	113.1 Å²	113.1	44%	0.436	53%	0.53	S	S	.	.	H	α-helix	trans	-64.3	-39.4	179.9	-45.8	0	0	0	0	113	R171 R172 Q179	R171-T175 PolarHBondContact O-N 2.99Å; R171-T175 PolarHBondContact O-OG1 3.22Å; R172-T175 PolarHBondContact O-N 3.42Å; T175-Q179 VanDerWaalsContact O-CB 3.28Å; T175-Q179 WeakPolarHBondContact O-CB 3.3Å; T175-Q179 WeakPolarHBondContact O-CG 3.47Å; T175-Q179 PolarHBondContact O-N 3.48Å
176	V	30.2	Very low	34.3	Very low	75 Å²	75	115.7 Å²	115.7	46%	0.455	55%	0.547	S	S	.	.	H	α-helix	trans	-69.1	-43.1	175.5	172.2	0	0	0	0	111	R172 Q174 Q179 Y180	R172-V176 WeakPolarHBondContact O-CG2 3.32Å; R172-V176 PolarHBondContact O-N 3.49Å; Q174-V176 PolarHBondContact O-N 3.36Å; V176-Q179 PolarHBondContact O-N 3.17Å; V176-Y180 HydrophobicContact CG1-CD2 3.74Å; V176-Y180 HydrophobicContact CG1-CE2 4.11Å; V176-Y180 WeakPolarHBondContact O-CB 3.16Å; V176-Y180 VanDerWaalsContact O-CD2 3.3Å; V176-Y180 WeakPolarHBondContact O-CD2 3.48Å; V176-Y180 PolarHBondContact O-N 3.48Å
177	H	29.9	Very low	34.3	Very low	102 Å²	102	114.8 Å²	114.8	47%	0.472	55%	0.552	S	S	.	*	H	α-helix	trans	-64.1	-42.5	177.7	-162.9	-65.4	0	0	0	111.7	R173 Q174 Q179 Y180 E181	R173-H177 WeakPolarHBondContact O-CB 3.17Å; R173-H177 PolarHBondContact O-N 2.89Å; Q174-H177 PolarHBondContact O-N 3.27Å; H177-Q179 VanDerWaalsContact C-N 3.29Å; H177-Q179 PolarHBondContact O-N 3Å; H177-Y180 PolarHBondContact O-N 3.33Å; H177-E181 IonicContact CE1-OE1 3.71Å; H177-E181 IonicContact CE1-OE2 3.65Å; H177-E181 PolarHBondContact CE1-OE2 3.19Å; H177-E181 IonicContact ND1-OE2 3.64Å; H177-E181 PolarHBondContact ND1-OE2 2.94Å; H177-E181 IonicContact NE2-OE1 2.67Å; H177-E181 IonicContact NE2-OE2 3.89Å; H177-E181 WeakPolarHBondContact O-CB 3.28Å; H177-E181 PolarHBondContact O-N 3.15Å
178	D	34.1	Very low	33.8	Very low	82 Å²	82	115.9 Å²	115.9	44%	0.439	56%	0.56	S	S	.	*	H	α-helix	trans	-65.9	-31.1	176.4	-65.6	-23.5	0	0	0	112.2	Q174 N182	Q174-D178 WeakPolarHBondContact O-CB 3.36Å; Q174-D178 PolarHBondContact O-N 2.96Å; D178-N182 WeakPolarHBondContact O-CB 3.38Å; D178-N182 PolarHBondContact O-ND2 2.84Å
179	Q	34.8	Very low	33.1	Very low	109 Å²	109	119.3 Å²	119.3	51%	0.509	58%	0.579	S	S	.	*	H	α-helix	trans	-81	-31.7	178.4	-78.8	176.1	-10.6	0	0	114.1	T175 V176 H177 Q183	T175-Q179 VanDerWaalsContact O-CB 3.28Å; T175-Q179 WeakPolarHBondContact O-CB 3.3Å; T175-Q179 WeakPolarHBondContact O-CG 3.47Å; T175-Q179 PolarHBondContact O-N 3.48Å; V176-Q179 PolarHBondContact O-N 3.17Å; H177-Q179 VanDerWaalsContact C-N 3.29Å; H177-Q179 PolarHBondContact O-N 3Å; Q179-Q183 VanDerWaalsContact O-CG 3.29Å; Q179-Q183 WeakPolarHBondContact O-CG 3.18Å
180	Y	30.6	Very low	32.7	Very low	168 Å²	168	123.7 Å²	123.7	66%	0.659	61%	0.605	S	S	*	*	H	α-helix	trans	-102.3	-29.1	-173.5	-79.1	-86.2	0	0	0	114.4	V176 H177	V176-Y180 HydrophobicContact CG1-CD2 3.74Å; V176-Y180 HydrophobicContact CG1-CE2 4.11Å; V176-Y180 WeakPolarHBondContact O-CB 3.16Å; V176-Y180 VanDerWaalsContact O-CD2 3.3Å; V176-Y180 WeakPolarHBondContact O-CD2 3.48Å; V176-Y180 PolarHBondContact O-N 3.48Å; H177-Y180 PolarHBondContact O-N 3.33Å
181	E	32.4	Very low	32	Very low	141 Å²	141	126.8 Å²	126.8	66%	0.659	61%	0.614	S	S	*	*	S	Bend	trans	-85.9	-22.5	175.2	-81.1	-163.8	169.6	0	0	113.8	H177	H177-E181 IonicContact CE1-OE1 3.71Å; H177-E181 IonicContact CE1-OE2 3.65Å; H177-E181 PolarHBondContact CE1-OE2 3.19Å; H177-E181 IonicContact ND1-OE2 3.64Å; H177-E181 PolarHBondContact ND1-OE2 2.94Å; H177-E181 IonicContact NE2-OE1 2.67Å; H177-E181 IonicContact NE2-OE2 3.89Å; H177-E181 WeakPolarHBondContact O-CB 3.28Å; H177-E181 PolarHBondContact O-N 3.15Å
182	N	34.3	Very low	31.4	Very low	129 Å²	129	125.4 Å²	125.4	69%	0.69	62%	0.624	S	S	*	*	S	Bend	trans	-95.2	2.5	177.1	-64.3	-49.3	0	0	0	113.9	D178 S184	D178-N182 WeakPolarHBondContact O-CB 3.38Å; D178-N182 PolarHBondContact O-ND2 2.84Å; N182-S184 PolarHBondContact O-N 3.45Å
183	Q	30.1	Very low	30.8	Very low	141 Å²	141	123.6 Å²	123.6	66%	0.659	63%	0.634	S	S	*	*	S	Bend	trans	-78.2	115.6	171.6	-90.6	-177.9	10.9	0	0	109.9	Q179 L185	Q179-Q183 VanDerWaalsContact O-CG 3.29Å; Q179-Q183 WeakPolarHBondContact O-CG 3.18Å; Q183-L185 PolarHBondContact O-N 3.37Å
184	S	28.4	Very low	30.5	Very low	87 Å²	87	127 Å²	127	61%	0.608	65%	0.653	S	S	*	*			trans	-50.5	124.1	176.5	56.3	0	0	0	0	111.2	N182 N186	N182-S184 PolarHBondContact O-N 3.45Å; S184-N186 PolarHBondContact O-N 2.95Å
185	L	30	Very low	30.1	Very low	153 Å²	153	131.7 Å²	131.7	80%	0.801	67%	0.667	S	S	*	*	G	3₁₀ helix	trans	-54.8	5	177.6	-90.3	135.4	0	0	0	115.9	Q183 N187	Q183-L185 PolarHBondContact O-N 3.37Å; L185-N187 PolarHBondContact O-N 3.35Å
186	N	30.9	Very low	29.6	Very low	143 Å²	143	136.1 Å²	136.1	77%	0.765	69%	0.685	S	S	*	*	G	3₁₀ helix	trans	-85.8	-0.7	-170.8	-73.5	-13.3	0	0	0	115.6	S184	S184-N186 PolarHBondContact O-N 2.95Å
187	N	32.5	Very low	29.2	Very low	135 Å²	135	140 Å²	140	72%	0.722	70%	0.701	S	S	*	*	G	3₁₀ helix	trans	-110.2	4.2	-175.4	-88.8	-14.6	0	0	0	115.9	L185	L185-N187 PolarHBondContact O-N 3.35Å
188	I	29.2	Very low	29.1	Very low	126 Å²	126	142.7 Å²	142.7	65%	0.646	72%	0.719	S	S	*	*	G	3₁₀ helix	trans	-83.9	-13.7	-173.5	-65.1	174.4	0	0	0	113	N190	I188-N190 PolarHBondContact O-N 3.33Å
189	N	28	Very low	28.6	Very low	149 Å²	149	143.8 Å²	143.8	80%	0.797	73%	0.733	S	S	*	*	G	3₁₀ helix	trans	-91.3	7.9	-172.4	-73.6	-14.2	0	0	0	116.9
190	N	30.1	Very low	28.2	Very low	150 Å²	150	147.8 Å²	147.8	80%	0.802	75%	0.752	S	S	*	*	G	3₁₀ helix	trans	-115.6	2	-177.5	-91.7	-19.7	0	0	0	115.7	I188	I188-N190 PolarHBondContact O-N 3.33Å
191	Y	25.1	Very low	27.8	Very low	193 Å²	193	145.4 Å²	145.4	76%	0.757	76%	0.755	S	S	*	*	S	Bend	trans	-94.4	-11.4	-170.9	-114.3	-90.8	0	0	0	115.6
192	T	27	Very low	27.5	Very low	139 Å²	139	145.9 Å²	145.9	85%	0.853	76%	0.761	S	S	*	*	S	Bend	trans	-97.3	0	-171.7	31.5	0	0	0	0	115.6
193	A	24.3	Very low	27	Very low	79 Å²	79	147 Å²	147	65%	0.653	77%	0.768	S	S	*	*	S	Bend	trans	-106.7	-5	-173.2	0	0	0	0	0	116.1
194	K	28.8	Very low	27	Very low	186 Å²	186	146.1 Å²	146.1	81%	0.809	78%	0.777	S	S	*	*	S	Bend	trans	-106.2	-0.2	-164.9	-136.7	177.2	-177.4	-178.9	0	116.9
195	Y	25.4	Very low	26.9	Very low	207 Å²	207	148.1 Å²	148.1	81%	0.812	79%	0.786	S	S	*	*			trans	-114.7	30.5	179.9	-68.7	-79	0	0	0	113.5	I197	Y195-I197 PolarHBondContact O-N 2.85Å
196	M	24.8	Very low	27	Very low	165 Å²	165	148.1 Å²	148.1	81%	0.813	79%	0.786	S	S	*	*	S	Bend	trans	-75.6	102.5	160.5	-77.5	-158.7	-98.2	0	0	109.2	N198	M196-N198 PolarHBondContact O-N 2.99Å
197	I	22.7	Very low	26.9	Very low	155 Å²	155	145.6 Å²	145.6	80%	0.795	78%	0.78	S	S	*	*			trans	-9.3	101.6	159.4	-56.9	165.4	0	0	0	113.2	Y195	Y195-I197 PolarHBondContact O-N 2.85Å
198	N	27.1	Very low	26.7	Very low	160 Å²	160	146.2 Å²	146.2	86%	0.856	78%	0.783	S	S	*	*			trans	-109.4	90.7	155.9	-94	-13.9	0	0	0	108	M196 Q200	M196-N198 PolarHBondContact O-N 2.99Å; N198-Q200 PolarHBondContact O-N 3.18Å
199	S	23.9	Very low	27.1	Very low	105 Å²	105	146.7 Å²	146.7	73%	0.734	79%	0.793	S	S	*	*			trans	-60	107.6	157.9	171.7	0	0	0	0	108.1
200	Q	26	Very low	27.2	Very low	192 Å²	192	146 Å²	146	90%	0.897	79%	0.793	S	S	*	*			trans	-165.6	117.7	153.9	-107.4	164.9	26.3	0	0	111.6	N198	N198-Q200 PolarHBondContact O-N 3.18Å
201	V	22.4	Very low	27.1	Very low	119 Å²	119	146.3 Å²	146.3	72%	0.721	79%	0.79	S	S	*	*			trans	-67.7	135.5	175.9	-178.2	0	0	0	0	110.4
202	N	27	Very low	27.2	Very low	150 Å²	150	145.3 Å²	145.3	80%	0.802	79%	0.79	S	S	*	*				173	142.6	127.3	-89.8	-30.7	0	0	0	114.8
203	N	23.5	Very low	27.3	Very low	153 Å²	153	150 Å²	150	82%	0.818	79%	0.793	S	S	*	*			trans	-66.2	149.1	-176.7	-56.3	-44.4	0	0	0	114.6
204	S	30.2	Very low	27.2	Very low	122 Å²	122	155.6 Å²	155.6	85%	0.853	81%	0.806	S	S	*	*				-178.7	140.5	121.2	61.4	0	0	0	0	112.8
205	T	26.5	Very low	27	Very low	130 Å²	130	152.5 Å²	152.5	80%	0.798	81%	0.807	S	S	*	*			trans	-88.1	147.7	178.7	6.7	0	0	0	0	112
206	N	31.1	Very low	27	Very low	152 Å²	152	148 Å²	148	81%	0.813	81%	0.807	S	S	*	*			trans	-175.3	103.4	146.4	-90.4	-11.7	0	0	0	106.3
207	S	28.9	Very low	27	Very low	91 Å²	91	146.1 Å²	146.1	64%	0.636	81%	0.806	S	S	*	*				50.5	100.8	85.2	76.8	0	0	0	0	114
208	D	28.9	Very low	27.1	Very low	147 Å²	147	145.9 Å²	145.9	79%	0.786	81%	0.805	S	S	*	*			trans	173.8	140	132.3	-86.8	-21	0	0	0	109.3
209	T	37	Very low	27.1	Very low	137 Å²	137	146.7 Å²	146.7	84%	0.84	80%	0.804	S	S	*	*			trans	92.4	138.1	175.4	74.3	0	0	0	0	117
210	V	29.4	Very low	27.2	Very low	133 Å²	133	151 Å²	151	81%	0.806	81%	0.809	S	S	*	*			cis	-163.6	146.3	-20.6	139.8	0	0	0	0	105.4
211	E	28.4	Very low	27.2	Very low	157 Å²	157	149.6 Å²	149.6	73%	0.734	81%	0.805	S	S	*	*			trans	-46.8	143	177.7	-52.6	167.1	155.8	0	0	116.2
212	K	28.3	Very low	27.5	Very low	173 Å²	173	149.2 Å²	149.2	75%	0.752	80%	0.803	S	S	*	*				153.7	116.8	116.3	-84.7	166.7	-172.3	176.3	0	111.2
213	Y	27.8	Very low	27.4	Very low	238 Å²	238	149.7 Å²	149.7	93%	0.933	81%	0.805	S	S	*	*			trans	162.9	100.2	136.2	-85.7	-66.7	0	0	0	108.3
214	Q	23	Very low	27.5	Very low	196 Å²	196	146.3 Å²	146.3	92%	0.916	81%	0.807	S	S	*	*			trans	-76.8	126.9	173.4	-78.1	173.5	-40.9	0	0	110.8
215	S	25.5	Very low	27.5	Very low	120 Å²	120	148.4 Å²	148.4	84%	0.839	80%	0.803	S	S	*	*			trans	-163.7	125.6	133	25.3	0	0	0	0	111.1
216	S	24.4	Very low	27.6	Very low	114 Å²	114	147.7 Å²	147.7	80%	0.797	79%	0.794	S	S	*	*	S	Bend	trans	-65	174.8	-164.3	-40.2	0	0	0	0	117.4
217	P	24.6	Very low	27.7	Very low	124 Å²	124	144.8 Å²	144.8	81%	0.805	78%	0.777	S	S	*	*			cis	-118.5	108.7	-4.7	31.8	-12.6	0	0	0	112.5	Q219	P217-Q219 PolarHBondContact O-N 3.28Å
218	I	25.1	Very low	28.1	Very low	150 Å²	150	145.4 Å²	145.4	77%	0.769	77%	0.773	S	S	*	*			trans	-74.2	117.8	168.3	-65.8	165.5	0	0	0	107.3	K220	I218-K220 PolarHBondContact O-N 3.36Å
219	Q	27	Very low	28.9	Very low	178 Å²	178	142.7 Å²	142.7	83%	0.832	76%	0.756	S	S	*	*			trans	-51.7	126.1	167.4	-91.7	171.7	-32.9	0	0	108.8	P217 M221	P217-Q219 PolarHBondContact O-N 3.28Å; Q219-M221 PolarHBondContact O-N 3.48Å
220	K	25.4	Very low	29.3	Very low	194 Å²	194	141 Å²	141	84%	0.843	74%	0.737	S	S	*	*			trans	-53.2	108.1	-176.6	-66.9	175.9	176.6	179.7	0	110.3	I218 T222	I218-K220 PolarHBondContact O-N 3.36Å; K220-T222 PolarHBondContact O-N 3.16Å
221	M	26.5	Very low	30.5	Very low	163 Å²	163	140.1 Å²	140.1	80%	0.803	73%	0.726	S	S	*	*			trans	-77.5	90.9	161.2	-64.7	-172.2	-169.2	0	0	107.6	Q219	Q219-M221 PolarHBondContact O-N 3.48Å
222	T	28.2	Very low	31.7	Very low	111 Å²	111	132.6 Å²	132.6	68%	0.681	69%	0.691	S	S	*	*			trans	-94.8	117.8	162.5	38.6	0	0	0	0	107.7	K220	K220-T222 PolarHBondContact O-N 3.16Å
223	D	25.8	Very low	32.6	Very low	160 Å²	160	128 Å²	128	86%	0.856	68%	0.679	S	S	*	*	S	Bend	trans	48.2	88.5	158.9	-53.3	-25.4	0	0	0	117.2	E225	D223-E225 PolarHBondContact O-N 3.09Å
224	G	26.4	Very low	33.8	Very low	83 Å²	83	120.1 Å²	120.1	86%	0.856	65%	0.652	S	S	*	*	S	Bend	trans	93.3	-8.3	138	0	0	0	0	0	120.2
225	E	28.6	Very low	35.9	Very low	165 Å²	165	113.2 Å²	113.2	77%	0.771	63%	0.625	S	S	*	*			trans	-136.2	111.1	172.6	-73.5	-173.3	162.5	0	0	111.7	D223 I227	D223-E225 PolarHBondContact O-N 3.09Å; E225-I227 VanDerWaalsContact C-N 3.32Å; E225-I227 HydrophobicContact CB-CG1 4.21Å; E225-I227 PolarHBondContact O-N 3.24Å
226	I	29.4	Very low	37.8	Very low	116 Å²	116	116.3 Å²	116.3	60%	0.595	62%	0.618	S	S	*	*			trans	-72.7	92.7	166.1	-60.1	172.7	0	0	0	106.7	N228	I226-N228 PolarHBondContact O-N 3.24Å
227	I	33	Very low	40	Very low	91 Å²	91	112.9 Å²	112.9	47%	0.467	59%	0.594	S	S	.	*			trans	-80.8	98.4	172.1	-40.7	178.7	0	0	0	106.5	E225 Q229	E225-I227 VanDerWaalsContact C-N 3.32Å; E225-I227 HydrophobicContact CB-CG1 4.21Å; E225-I227 PolarHBondContact O-N 3.24Å; I227-Q229 HydrophobicContact CB-CG 4Å; I227-Q229 HydrophobicContact CG2-CG 3.43Å; I227-Q229 VanDerWaalsContact CG2-CG 3.43Å; I227-Q229 PolarHBondContact O-N 2.71Å
228	N	38	Very low	42.1	Very low	104 Å²	104	113.2 Å²	113.2	56%	0.556	59%	0.585	S	S	*	*			trans	-66.6	80.1	170.3	-80.6	-20.4	0	0	0	108.9	I226 P241	I226-N228 PolarHBondContact O-N 3.24Å; N228-P241 HydrophobicContact CB-CG 3.67Å; N228-P241 WeakPolarHBondContact O-CD 3.33Å; N228-P241 WeakPolarHBondContact O-CG 3.16Å
229	Q	44.4	Very low	43.6	Very low	89 Å²	89	106.4 Å²	106.4	42%	0.416	55%	0.55	S	S	.	*	P	Polyproline II helix	trans	-86.2	119	178.3	-64.2	176.7	-18.5	0	0	109.4	I227 E238	I227-Q229 HydrophobicContact CB-CG 4Å; I227-Q229 HydrophobicContact CG2-CG 3.43Å; I227-Q229 VanDerWaalsContact CG2-CG 3.43Å; I227-Q229 PolarHBondContact O-N 2.71Å; Q229-E238 HydrophobicContact CB-CB 4.47Å; Q229-E238 PolarHBondContact NE2-OE2 3.26Å; Q229-E238 VanDerWaalsContact OE1-CD 3.31Å; Q229-E238 PolarHBondContact OE1-OE2 3.41Å; Q229-E238 VanDerWaalsContact OE1-OE2 3.08Å
230	F	46.6	Very low	45.6	Very low	103 Å²	103	104 Å²	104	45%	0.452	54%	0.537	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-85.1	143.4	168.6	-71.4	-95.7	0	0	0	109.1	E238 I239 P241 L244	F230-E238 CarbonylContact O-C 3.47Å; F230-E238 WeakPolarHBondContact O-CA 3.29Å; F230-I239 HydrophobicContact CB-CB 4.18Å; F230-I239 PolarHBondContact N-O 2.94Å; F230-I239 PolarHBondContact O-N 3.06Å; F230-P241 HydrophobicContact CD2-CG 4.33Å; F230-P241 HydrophobicContact CE2-CB 4.04Å; F230-P241 HydrophobicContact CE2-CG 4.02Å; F230-L244 HydrophobicContact CB-CD2 3.84Å; F230-L244 HydrophobicContact CD1-CD1 4.28Å; F230-L244 HydrophobicContact CD1-CD2 4.13Å; F230-L244 HydrophobicContact CD2-CD1 3.74Å; F230-L244 HydrophobicContact CD2-CD2 4.2Å; F230-L244 HydrophobicContact CD2-CG 4.13Å; F230-L244 HydrophobicContact CE1-CD1 4.22Å; F230-L244 HydrophobicContact CE2-CD1 3.67Å; F230-L244 HydrophobicContact CG-CD1 4.05Å; F230-L244 HydrophobicContact CG-CD2 3.81Å; F230-L244 HydrophobicContact CG-CG 4.25Å; F230-L244 HydrophobicContact CZ-CD1 3.92Å
231	I	53.5	Low	47	Very low	113 Å²	113	97.3 Å²	97.3	58%	0.579	51%	0.513	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-102.4	125.1	175.2	-61.2	176.4	0	0	0	108.9	P233	I231-P233 WeakPolarHBondContact O-CD 3.49Å
232	C	54.5	Low	48.7	Very low	0 Å²	0	96.8 Å²	96.8	0%	0	51%	0.514	C	S	.	.	P	Polyproline II helix	trans	-64.7	125.2	175.4	-172.5	0	0	0	0	111	I234 C235 R236 S237 I239 H247	C232-I234 PolarHBondContact O-N 3.27Å; C232-I234 PolarHBondContact SG-N 2.94Å; C232-C235 VanDerWaalsContact CB-SG 3.59Å; C232-C235 PolarHBondContact SG-N 3.35Å; C232-R236 WeakPolarHBondContact O-CA 3.42Å; C232-R236 PolarHBondContact O-N 3.3Å; C232-S237 PolarHBondContact N-O 3.05Å; C232-I239 HydrophobicContact CB-CD1 3.69Å; C232-I239 HydrophobicContact CB-CG1 4.17Å; C232-H247 VanDerWaalsContact CB-NE2 3.27Å; C232-H247 WeakPolarHBondContact CB-NE2 3.31Å; C232-H247 PolarHBondContact SG-NE2 3.5Å
233	P	47	Very low	50.6	Low	76 Å²	76	95 Å²	95	49%	0.494	50%	0.5	S	S	.	.	T	Hydrogen-bonded Turn	trans	-70.9	-20.6	175.3	28	-33.1	0	0	0	113	I231 F248	I231-P233 WeakPolarHBondContact O-CD 3.49Å; P233-F248 HydrophobicContact CG-CE1 4.35Å
234	I	52.9	Low	52	Low	72 Å²	72	89.5 Å²	89.5	37%	0.369	47%	0.471	S	S	.	.	T	Hydrogen-bonded Turn	trans	-85.4	-58.5	-175.1	-58.8	160.1	0	0	0	110.5	C232 F248 E251 M255	C232-I234 PolarHBondContact O-N 3.27Å; C232-I234 PolarHBondContact SG-N 2.94Å; I234-F248 HydrophobicContact CD1-CD1 4.3Å; I234-F248 HydrophobicContact CD1-CE1 4.37Å; I234-E251 HydrophobicContact CB-CB 4.46Å; I234-E251 HydrophobicContact CB-CG 4.39Å; I234-E251 HydrophobicContact CD1-CB 3.72Å; I234-E251 HydrophobicContact CD1-CG 4.36Å; I234-E251 HydrophobicContact CG2-CB 4.27Å; I234-E251 HydrophobicContact CG2-CG 4.38Å; I234-E251 VanDerWaalsContact CG2-OE2 3.29Å; I234-E251 WeakPolarHBondContact CG2-OE2 3.37Å; I234-M255 HydrophobicContact CB-CE 4.11Å; I234-M255 HydrophobicContact CD1-CE 3.45Å; I234-M255 VanDerWaalsContact CD1-CE 3.45Å; I234-M255 HydrophobicContact CG1-CE 3.54Å; I234-M255 HydrophobicContact CG2-CE 3.41Å; I234-M255 VanDerWaalsContact CG2-CE 3.41Å
235	C	68.1	Low	53.4	Low	51 Å²	51	93.9 Å²	93.9	35%	0.345	47%	0.469	S	S	.	.	T	Hydrogen-bonded Turn	trans	-107.7	0.6	-174.3	66.7	0	0	0	0	114.3	C232 S237 H247	C232-C235 VanDerWaalsContact CB-SG 3.59Å; C232-C235 PolarHBondContact SG-N 3.35Å; C235-S237 PolarHBondContact O-N 3.41Å; C235-S237 PolarHBondContact SG-OG 3.32Å; C235-H247 PolarHBondContact SG-CE1 3.34Å; C235-H247 PolarHBondContact SG-NE2 3.19Å
236	R	65.4	Low	55.3	Low	186 Å²	186	88.9 Å²	88.9	70%	0.702	45%	0.452	S	S	*	.			trans	64.1	10.9	178.2	-53.7	-64.9	-176.8	166.8	-2.5	115.7	C232	C232-R236 WeakPolarHBondContact O-CA 3.42Å; C232-R236 PolarHBondContact O-N 3.3Å
237	S	69.1	Low	57.3	Low	42 Å²	42	84.8 Å²	84.8	29%	0.294	43%	0.43	S	S	.	.			trans	-75.5	147.4	176	61.6	0	0	0	0	112.3	C232 C235 H247	C232-S237 PolarHBondContact N-O 3.05Å; C235-S237 PolarHBondContact O-N 3.41Å; C235-S237 PolarHBondContact SG-OG 3.32Å; S237-H247 PolarHBondContact OG-CE1 2.62Å
238	E	68.5	Low	58.6	Low	131 Å²	131	84.1 Å²	84.1	61%	0.612	42%	0.424	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-69.3	134.2	163.9	-67.9	169.6	-168.6	0	0	109.8	Q229 F230	Q229-E238 HydrophobicContact CB-CB 4.47Å; Q229-E238 PolarHBondContact NE2-OE2 3.26Å; Q229-E238 VanDerWaalsContact OE1-CD 3.31Å; Q229-E238 PolarHBondContact OE1-OE2 3.41Å; Q229-E238 VanDerWaalsContact OE1-OE2 3.08Å; F230-E238 CarbonylContact O-C 3.47Å; F230-E238 WeakPolarHBondContact O-CA 3.29Å
239	I	56.4	Low	59.9	Low	6 Å²	6	85.4 Å²	85.4	3%	0.031	43%	0.425	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-124	127.5	-174.8	-46.5	160.8	0	0	0	107.4	F230 C232 D243 L244 H247	F230-I239 HydrophobicContact CB-CB 4.18Å; F230-I239 PolarHBondContact N-O 2.94Å; F230-I239 PolarHBondContact O-N 3.06Å; C232-I239 HydrophobicContact CB-CD1 3.69Å; C232-I239 HydrophobicContact CB-CG1 4.17Å; I239-D243 HydrophobicContact CG2-CB 3.98Å; I239-L244 HydrophobicContact CD1-CD2 4.27Å; I239-L244 HydrophobicContact CG2-CD2 4.26Å; I239-L244 HydrophobicContact CG2-CG 4.31Å; I239-H247 HydrophobicContact CD1-CB 4.43Å; I239-H247 VanDerWaalsContact CD1-CD2 3.43Å; I239-H247 WeakPolarHBondContact CD1-CD2 3.07Å; I239-H247 HydrophobicContact CG1-CB 4.42Å; I239-H247 HydrophobicContact CG2-CB 3.87Å
240	K	69.8	Low	61.1	Low	128 Å²	128	85.2 Å²	85.2	56%	0.557	43%	0.426	S	S	*	.			trans	-71.9	151.5	170.5	-64	-179.4	178	-178.2	0	109.5	D242 D243 L244	K240-D242 PolarHBondContact O-N 3Å; K240-D242 VanDerWaalsContact O-N 3.16Å; K240-D243 HydrophobicContact CB-CB 4.42Å; K240-D243 PolarHBondContact O-N 3.47Å; K240-L244 PolarHBondContact O-N 2.79Å
241	P	54.1	Low	61.7	Low	53 Å²	53	80.9 Å²	80.9	34%	0.344	41%	0.407	S	S	.	.	G	3₁₀ helix	trans	-55.7	-38.5	-177.9	-23.3	34.8	0	0	0	112.6	N228 F230 D243 L244	N228-P241 HydrophobicContact CB-CG 3.67Å; N228-P241 WeakPolarHBondContact O-CD 3.33Å; N228-P241 WeakPolarHBondContact O-CG 3.16Å; F230-P241 HydrophobicContact CD2-CG 4.33Å; F230-P241 HydrophobicContact CE2-CB 4.04Å; F230-P241 HydrophobicContact CE2-CG 4.02Å; P241-D243 PolarHBondContact O-N 3.32Å; P241-L244 PolarHBondContact O-N 3.29Å
242	D	63.7	Low	61.8	Low	153 Å²	153	79 Å²	79	82%	0.818	40%	0.397	S	S	*	.	G	3₁₀ helix	trans	-69.7	-19	179.7	-55	-26.8	0	0	0	113	K240	K240-D242 PolarHBondContact O-N 3Å; K240-D242 VanDerWaalsContact O-N 3.16Å
243	D	67.6	Low	62	Low	74 Å²	74	83.5 Å²	83.5	40%	0.396	42%	0.418	S	S	.	.	G	3₁₀ helix	trans	-99.6	0.2	-178.3	-65.3	-40.3	0	0	0	112.9	I239 K240 P241 E245 S246 H247	I239-D243 HydrophobicContact CG2-CB 3.98Å; K240-D243 HydrophobicContact CB-CB 4.42Å; K240-D243 PolarHBondContact O-N 3.47Å; P241-D243 PolarHBondContact O-N 3.32Å; D243-E245 PolarHBondContact O-N 2.8Å; D243-S246 PolarHBondContact O-N 2.89Å; D243-S246 PolarHBondContact O-OG 2.99Å; D243-H247 WeakPolarHBondContact O-CB 3.38Å; D243-H247 PolarHBondContact O-N 3.18Å
244	L	55.5	Low	62.7	Low	44 Å²	44	84.6 Å²	84.6	23%	0.23	42%	0.416	C	S	.	.	H	α-helix	trans	-57.2	-50.4	-176.1	-85.1	165.6	0	0	0	112.7	F230 I239 K240 P241 H247 F248	F230-L244 HydrophobicContact CB-CD2 3.84Å; F230-L244 HydrophobicContact CD1-CD1 4.28Å; F230-L244 HydrophobicContact CD1-CD2 4.13Å; F230-L244 HydrophobicContact CD2-CD1 3.74Å; F230-L244 HydrophobicContact CD2-CD2 4.2Å; F230-L244 HydrophobicContact CD2-CG 4.13Å; F230-L244 HydrophobicContact CE1-CD1 4.22Å; F230-L244 HydrophobicContact CE2-CD1 3.67Å; F230-L244 HydrophobicContact CG-CD1 4.05Å; F230-L244 HydrophobicContact CG-CD2 3.81Å; F230-L244 HydrophobicContact CG-CG 4.25Å; F230-L244 HydrophobicContact CZ-CD1 3.92Å; I239-L244 HydrophobicContact CD1-CD2 4.27Å; I239-L244 HydrophobicContact CG2-CD2 4.26Å; I239-L244 HydrophobicContact CG2-CG 4.31Å; K240-L244 PolarHBondContact O-N 2.79Å; P241-L244 PolarHBondContact O-N 3.29Å; L244-H247 PolarHBondContact O-N 3.36Å; L244-F248 HydrophobicContact CD2-CD2 4.36Å; L244-F248 HydrophobicContact CD2-CE2 3.8Å; L244-F248 WeakPolarHBondContact O-CD2 3.5Å; L244-F248 PolarHBondContact O-N 3.24Å
245	E	55.1	Low	62.6	Low	174 Å²	174	85.1 Å²	85.1	81%	0.813	42%	0.417	S	S	*	.	H	α-helix	trans	-66.3	-45.4	-176.5	-172.4	179	177.6	0	0	111.7	D243 K249	D243-E245 PolarHBondContact O-N 2.8Å; E245-K249 WeakPolarHBondContact O-CB 3.43Å; E245-K249 PolarHBondContact O-N 3.48Å; E245-K249 VanDerWaalsContact O-N 3.09Å
246	S	69.2	Low	61.1	Low	60 Å²	60	86.9 Å²	86.9	42%	0.42	42%	0.421	S	S	.	.	H	α-helix	trans	-65.6	-40.7	178.6	63.3	0	0	0	0	111.3	D243 K249 I250	D243-S246 PolarHBondContact O-N 2.89Å; D243-S246 PolarHBondContact O-OG 2.99Å; S246-K249 PolarHBondContact O-N 2.88Å; S246-I250 WeakPolarHBondContact O-CG1 3.45Å; S246-I250 PolarHBondContact O-N 3.19Å; S246-I250 VanDerWaalsContact O-N 3.08Å
247	H	70.8	Confident	59.8	Low	30 Å²	30	82.7 Å²	82.7	14%	0.139	41%	0.412	C	S	.	.	H	α-helix	trans	-62.6	-52	177.8	-174.3	85.7	0	0	0	112.3	C232 C235 S237 I239 D243 L244 K249 I250 E251	C232-H247 VanDerWaalsContact CB-NE2 3.27Å; C232-H247 WeakPolarHBondContact CB-NE2 3.31Å; C232-H247 PolarHBondContact SG-NE2 3.5Å; C235-H247 PolarHBondContact SG-CE1 3.34Å; C235-H247 PolarHBondContact SG-NE2 3.19Å; S237-H247 PolarHBondContact OG-CE1 2.62Å; I239-H247 HydrophobicContact CD1-CB 4.43Å; I239-H247 VanDerWaalsContact CD1-CD2 3.43Å; I239-H247 WeakPolarHBondContact CD1-CD2 3.07Å; I239-H247 HydrophobicContact CG1-CB 4.42Å; I239-H247 HydrophobicContact CG2-CB 3.87Å; D243-H247 WeakPolarHBondContact O-CB 3.38Å; D243-H247 PolarHBondContact O-N 3.18Å; L244-H247 PolarHBondContact O-N 3.36Å; H247-K249 VanDerWaalsContact C-N 3.26Å; H247-K249 PolarHBondContact O-N 3.4Å; H247-I250 PolarHBondContact O-N 2.93Å; H247-E251 PolarHBondContact O-N 3.22Å
248	F	60.7	Low	58	Low	78 Å²	78	88.6 Å²	88.6	34%	0.342	43%	0.433	S	S	.	.	H	α-helix	trans	-65	-31.6	179.8	-81.6	-64.8	0	0	0	112.6	P233 I234 L244 E251 L252	P233-F248 HydrophobicContact CG-CE1 4.35Å; I234-F248 HydrophobicContact CD1-CD1 4.3Å; I234-F248 HydrophobicContact CD1-CE1 4.37Å; L244-F248 HydrophobicContact CD2-CD2 4.36Å; L244-F248 HydrophobicContact CD2-CE2 3.8Å; L244-F248 WeakPolarHBondContact O-CD2 3.5Å; L244-F248 PolarHBondContact O-N 3.24Å; F248-E251 PolarHBondContact O-N 2.95Å; F248-L252 WeakPolarHBondContact O-CB 3.44Å; F248-L252 WeakPolarHBondContact O-CD1 3.32Å; F248-L252 VanDerWaalsContact O-CG 3.32Å; F248-L252 WeakPolarHBondContact O-CG 3.34Å; F248-L252 PolarHBondContact O-N 2.9Å
249	K	65.6	Low	56.2	Low	130 Å²	130	87 Å²	87	57%	0.565	43%	0.432	S	S	*	.	H	α-helix	trans	-64.6	-43.8	173.2	-169.9	177.9	177.6	-176.2	0	112.2	E245 S246 H247 L252 E253	E245-K249 WeakPolarHBondContact O-CB 3.43Å; E245-K249 PolarHBondContact O-N 3.48Å; E245-K249 VanDerWaalsContact O-N 3.09Å; S246-K249 PolarHBondContact O-N 2.88Å; H247-K249 VanDerWaalsContact C-N 3.26Å; H247-K249 PolarHBondContact O-N 3.4Å; K249-L252 PolarHBondContact O-N 3.26Å; K249-E253 WeakPolarHBondContact O-CG 3.48Å; K249-E253 PolarHBondContact O-N 3.44Å
250	I	68	Low	54.9	Low	86 Å²	86	93 Å²	93	44%	0.441	46%	0.463	S	S	.	.	H	α-helix	trans	-62.5	-44.3	175.6	-68.9	164.6	0	0	0	110.9	S246 H247 L252 E253 K254	S246-I250 WeakPolarHBondContact O-CG1 3.45Å; S246-I250 PolarHBondContact O-N 3.19Å; S246-I250 VanDerWaalsContact O-N 3.08Å; H247-I250 PolarHBondContact O-N 2.93Å; I250-L252 VanDerWaalsContact C-N 3.35Å; I250-L252 PolarHBondContact O-N 2.89Å; I250-E253 PolarHBondContact O-N 3.49Å; I250-K254 HydrophobicContact CG2-CD 4.47Å; I250-K254 WeakPolarHBondContact O-CG 3.45Å; I250-K254 PolarHBondContact O-N 3.23Å
251	E	60.6	Low	52.9	Low	11 Å²	11	93.1 Å²	93.1	5%	0.051	47%	0.47	C	S	.	.	H	α-helix	trans	-66.3	-36.8	178.6	-66.4	-56.3	131.8	0	0	112.2	I234 H247 F248 K254 M255	I234-E251 HydrophobicContact CB-CB 4.46Å; I234-E251 HydrophobicContact CB-CG 4.39Å; I234-E251 HydrophobicContact CD1-CB 3.72Å; I234-E251 HydrophobicContact CD1-CG 4.36Å; I234-E251 HydrophobicContact CG2-CB 4.27Å; I234-E251 HydrophobicContact CG2-CG 4.38Å; I234-E251 VanDerWaalsContact CG2-OE2 3.29Å; I234-E251 WeakPolarHBondContact CG2-OE2 3.37Å; H247-E251 PolarHBondContact O-N 3.22Å; F248-E251 PolarHBondContact O-N 2.95Å; E251-K254 PolarHBondContact O-N 3.37Å; E251-K254 IonicContact OE1-NZ 2.78Å; E251-K254 PolarHBondContact OE1-NZ 3Å; E251-K254 IonicContact OE2-NZ 3.34Å; E251-M255 WeakPolarHBondContact O-CG 3.4Å; E251-M255 PolarHBondContact O-N 2.96Å
252	L	55.7	Low	51.7	Low	73 Å²	73	96.7 Å²	96.7	38%	0.382	49%	0.485	S	S	.	.	H	α-helix	trans	-63	-43.5	171.6	-81.6	161.8	0	0	0	112.2	F248 K249 I250 M255 Q256	F248-L252 WeakPolarHBondContact O-CB 3.44Å; F248-L252 WeakPolarHBondContact O-CD1 3.32Å; F248-L252 VanDerWaalsContact O-CG 3.32Å; F248-L252 WeakPolarHBondContact O-CG 3.34Å; F248-L252 PolarHBondContact O-N 2.9Å; K249-L252 PolarHBondContact O-N 3.26Å; I250-L252 VanDerWaalsContact C-N 3.35Å; I250-L252 PolarHBondContact O-N 2.89Å; L252-M255 PolarHBondContact O-N 3.43Å; L252-Q256 WeakPolarHBondContact O-CG 3.41Å; L252-Q256 PolarHBondContact O-N 2.98Å
253	E	58.1	Low	49.9	Very low	95 Å²	95	94.7 Å²	94.7	44%	0.444	48%	0.48	S	S	.	.	H	α-helix	trans	-64.3	-38.7	176.5	-75	174.2	-171.9	0	0	111.9	K249 I250 Q256 N257	K249-E253 WeakPolarHBondContact O-CG 3.48Å; K249-E253 PolarHBondContact O-N 3.44Å; I250-E253 PolarHBondContact O-N 3.49Å; E253-Q256 PolarHBondContact O-N 3.45Å; E253-N257 PolarHBondContact O-N 3.16Å; E253-N257 PolarHBondContact O-ND2 3.32Å
254	K	62.5	Low	48	Very low	100 Å²	100	98.8 Å²	98.8	44%	0.435	50%	0.501	S	S	.	.	H	α-helix	trans	-59.6	-46.9	171.9	-73.1	174	-174.3	169.8	0	111.2	I250 E251 Q256 N257 F258	I250-K254 HydrophobicContact CG2-CD 4.47Å; I250-K254 WeakPolarHBondContact O-CG 3.45Å; I250-K254 PolarHBondContact O-N 3.23Å; E251-K254 PolarHBondContact O-N 3.37Å; E251-K254 IonicContact OE1-NZ 2.78Å; E251-K254 PolarHBondContact OE1-NZ 3Å; E251-K254 IonicContact OE2-NZ 3.34Å; K254-Q256 VanDerWaalsContact C-N 3.32Å; K254-Q256 PolarHBondContact O-N 3.05Å; K254-N257 PolarHBondContact O-N 3.09Å; K254-F258 WeakPolarHBondContact O-CD2 3.43Å; K254-F258 PolarHBondContact O-N 3.3Å; K254-F258 VanDerWaalsContact O-N 3.08Å
255	M	49.9	Very low	46.7	Very low	82 Å²	82	104.4 Å²	104.4	40%	0.404	53%	0.526	S	S	.	.	H	α-helix	trans	-62.8	-37.6	178.2	-70.8	-171.5	-163	0	0	112.6	I234 E251 L252 N257 F258 T259	I234-M255 HydrophobicContact CB-CE 4.11Å; I234-M255 HydrophobicContact CD1-CE 3.45Å; I234-M255 VanDerWaalsContact CD1-CE 3.45Å; I234-M255 HydrophobicContact CG1-CE 3.54Å; I234-M255 HydrophobicContact CG2-CE 3.41Å; I234-M255 VanDerWaalsContact CG2-CE 3.41Å; E251-M255 WeakPolarHBondContact O-CG 3.4Å; E251-M255 PolarHBondContact O-N 2.96Å; L252-M255 PolarHBondContact O-N 3.43Å; M255-N257 VanDerWaalsContact C-N 3.32Å; M255-N257 PolarHBondContact O-N 3.2Å; M255-F258 PolarHBondContact O-N 3.37Å; M255-T259 PolarHBondContact O-N 3.47Å; M255-T259 PolarHBondContact O-OG1 2.9Å; M255-T259 VanDerWaalsContact O-OG1 3.09Å
256	Q	37.6	Very low	45.4	Very low	88 Å²	88	105.1 Å²	105.1	41%	0.411	53%	0.529	S	S	.	.	H	α-helix	trans	-66.6	-32.5	175.9	-72.6	177.3	5.8	0	0	112.8	L252 E253 K254 T259	L252-Q256 WeakPolarHBondContact O-CG 3.41Å; L252-Q256 PolarHBondContact O-N 2.98Å; E253-Q256 PolarHBondContact O-N 3.45Å; K254-Q256 VanDerWaalsContact C-N 3.32Å; K254-Q256 PolarHBondContact O-N 3.05Å; Q256-T259 PolarHBondContact O-OG1 3.39Å
257	N	37.7	Very low	43.5	Very low	98 Å²	98	108.2 Å²	108.2	52%	0.524	55%	0.546	S	S	.	.	H	α-helix	trans	-76.3	-24.9	174.7	-72.8	-31.2	0	0	0	112.9	E253 K254 M255 T259 I260	E253-N257 PolarHBondContact O-N 3.16Å; E253-N257 PolarHBondContact O-ND2 3.32Å; K254-N257 PolarHBondContact O-N 3.09Å; M255-N257 VanDerWaalsContact C-N 3.32Å; M255-N257 PolarHBondContact O-N 3.2Å; N257-T259 VanDerWaalsContact C-N 3.32Å; N257-I260 PolarHBondContact O-N 2.76Å
258	F	30.8	Very low	41.6	Very low	166 Å²	166	111.4 Å²	111.4	73%	0.728	57%	0.571	S	S	*	*	H	α-helix	trans	-68	-31	172.3	-97.7	-85.3	0	0	0	112.6	K254 M255 I260	K254-F258 WeakPolarHBondContact O-CD2 3.43Å; K254-F258 PolarHBondContact O-N 3.3Å; K254-F258 VanDerWaalsContact O-N 3.08Å; M255-F258 PolarHBondContact O-N 3.37Å; F258-I260 PolarHBondContact O-N 2.91Å
259	T	30.5	Very low	40.1	Very low	98 Å²	98	113.6 Å²	113.6	60%	0.601	59%	0.593	S	S	*	*	T	Hydrogen-bonded Turn	trans	-72.7	-14.6	177.1	-1.9	0	0	0	0	113.9	M255 Q256 N257	M255-T259 PolarHBondContact O-N 3.47Å; M255-T259 PolarHBondContact O-OG1 2.9Å; M255-T259 VanDerWaalsContact O-OG1 3.09Å; Q256-T259 PolarHBondContact O-OG1 3.39Å; N257-T259 VanDerWaalsContact C-N 3.32Å
260	I	28.7	Very low	38.4	Very low	131 Å²	131	113.6 Å²	113.6	67%	0.672	60%	0.6	S	S	*	*	T	Hydrogen-bonded Turn	trans	-94.3	-18.1	-178.7	-61.4	173.1	0	0	0	111.9	N257 F258	N257-I260 PolarHBondContact O-N 2.76Å; F258-I260 PolarHBondContact O-N 2.91Å
261	N	29.2	Very low	36.7	Very low	132 Å²	132	118.8 Å²	118.8	71%	0.706	62%	0.619	S	S	*	*			trans	-107.8	28.8	-179.7	-69	-38.7	0	0	0	113.5
262	L	28	Very low	35.4	Very low	127 Å²	127	126.4 Å²	126.4	67%	0.665	66%	0.659	S	S	*	*			trans	-61.9	129.4	165.9	-83.9	157.7	0	0	0	108.2	I264	L262-I264 PolarHBondContact O-N 3.37Å
263	P	25.3	Very low	34.3	Very low	111 Å²	111	132.3 Å²	132.3	72%	0.721	69%	0.685	S	S	*	*			trans	-57.3	120	-178.9	23.2	-30.7	0	0	0	108	E265	P263-E265 PolarHBondContact O-N 2.67Å
264	I	27.8	Very low	33	Very low	161 Å²	161	132.7 Å²	132.7	83%	0.826	70%	0.698	S	S	*	*			trans	-61.8	98	164.3	-60.8	170.4	0	0	0	104.3	L262 Q266	L262-I264 PolarHBondContact O-N 3.37Å; I264-Q266 PolarHBondContact O-N 3.39Å
265	E	29.3	Very low	31.4	Very low	161 Å²	161	132.7 Å²	132.7	75%	0.752	71%	0.708	S	S	*	*			trans	-51.5	115.2	167.4	-80.6	-173.9	154.4	0	0	106.7	P263 T267	P263-E265 PolarHBondContact O-N 2.67Å; E265-T267 PolarHBondContact O-N 3.31Å
266	Q	27.1	Very low	30.5	Very low	190 Å²	190	138.8 Å²	138.8	89%	0.888	73%	0.733	S	S	*	*			trans	-65	84.9	170	-73.9	-177.9	-24.2	0	0	107.5	I264 S268	I264-Q266 PolarHBondContact O-N 3.39Å; Q266-S268 PolarHBondContact O-N 3.41Å
267	T	30.2	Very low	30.1	Very low	124 Å²	124	144.8 Å²	144.8	76%	0.761	75%	0.753	S	S	*	*			trans	-68.9	99.1	168.4	43.4	0	0	0	0	108.1	E265	E265-T267 PolarHBondContact O-N 3.31Å
268	S	29.2	Very low	29.7	Very low	97 Å²	97	145.4 Å²	145.4	68%	0.678	77%	0.765	S	S	*	*			trans	-53.9	138.6	165.6	51.9	0	0	0	0	110.2	Q266 D270	Q266-S268 PolarHBondContact O-N 3.41Å; S268-D270 PolarHBondContact O-N 2.83Å
269	P	30.3	Very low	29.7	Very low	124 Å²	124	145.7 Å²	145.7	81%	0.805	77%	0.769	S	S	*	*	S	Bend	trans	-84.3	80	-173.9	34.9	-31.9	0	0	0	109.3
270	D	30.4	Very low	29.8	Very low	130 Å²	130	146.4 Å²	146.4	70%	0.695	78%	0.775	S	S	*	*	S	Bend	trans	-152.9	105.7	163.4	-103.7	-34.9	0	0	0	112.2	S268	S268-D270 PolarHBondContact O-N 2.83Å
271	K	32.6	Very low	30.1	Very low	196 Å²	196	149.6 Å²	149.6	85%	0.852	78%	0.784	S	S	*	*			trans	43.8	86.3	149.5	-62.9	176.1	-178.7	172.7	0	117.3
272	L	31.9	Very low	30.5	Very low	170 Å²	170	149.6 Å²	149.6	89%	0.89	78%	0.782	S	S	*	*			trans	-136.9	114.4	153	-95.7	142.6	0	0	0	108.8	S274	L272-S274 PolarHBondContact O-N 3.48Å
273	E	33.2	Very low	30.9	Very low	197 Å²	197	148.6 Å²	148.6	92%	0.921	78%	0.777	S	S	*	*	P	Polyproline II helix	trans	-57.1	120.3	176.9	-67.5	178.3	149.8	0	0	109.8
274	S	31.7	Very low	31.7	Very low	103 Å²	103	151.7 Å²	151.7	72%	0.72	78%	0.78	S	S	*	*	P	Polyproline II helix	trans	-71.7	137.1	176.7	31.2	0	0	0	0	110.6	L272 K276	L272-S274 PolarHBondContact O-N 3.48Å; S274-K276 PolarHBondContact O-N 2.95Å
275	P	28.3	Very low	32.1	Very low	101 Å²	101	150.9 Å²	150.9	66%	0.656	78%	0.775	S	S	*	*	P	Polyproline II helix	trans	-62.8	124.8	177	25.5	-30.2	0	0	0	108.3	Y277	P275-Y277 VanDerWaalsContact C-N 3.29Å; P275-Y277 HydrophobicContact CG-CD2 4.37Å; P275-Y277 HydrophobicContact CG-CE2 4.22Å; P275-Y277 PolarHBondContact O-N 3.02Å
276	K	31.6	Very low	32.8	Very low	210 Å²	210	147.8 Å²	147.8	91%	0.913	76%	0.764	S	S	*	*			trans	-63.9	90.4	173.7	-74.7	-178.2	178.5	173.5	0	109.1	S274 S278	S274-K276 PolarHBondContact O-N 2.95Å; K276-S278 PolarHBondContact O-N 3.01Å; K276-S278 VanDerWaalsContact O-N 3.08Å
277	Y	28	Very low	33.3	Very low	214 Å²	214	141.2 Å²	141.2	84%	0.839	74%	0.739	S	S	*	*			trans	-65.6	105.3	164	-91.1	-91.4	0	0	0	108.5	P275 Q279	P275-Y277 VanDerWaalsContact C-N 3.29Å; P275-Y277 HydrophobicContact CG-CD2 4.37Å; P275-Y277 HydrophobicContact CG-CE2 4.22Å; P275-Y277 PolarHBondContact O-N 3.02Å; Y277-Q279 PolarHBondContact O-N 3.19Å; Y277-Q279 VanDerWaalsContact O-N 3.13Å
278	S	28.8	Very low	33.8	Very low	110 Å²	110	140.6 Å²	140.6	77%	0.769	73%	0.731	S	S	*	*			trans	-67.5	104.7	165.7	50.4	0	0	0	0	108.5	K276	K276-S278 PolarHBondContact O-N 3.01Å; K276-S278 VanDerWaalsContact O-N 3.08Å
279	Q	32	Very low	35	Very low	173 Å²	173	138.3 Å²	138.3	81%	0.808	72%	0.716	S	S	*	*			trans	-54.1	134.1	167.2	-78.2	-176	-26	0	0	109.1	Y277 K281	Y277-Q279 PolarHBondContact O-N 3.19Å; Y277-Q279 VanDerWaalsContact O-N 3.13Å; Q279-K281 PolarHBondContact O-N 3.34Å
280	P	32.4	Very low	35.7	Very low	112 Å²	112	140.9 Å²	140.9	73%	0.727	71%	0.709	S	S	*	*			trans	-59.2	117	171.9	24	-30	0	0	0	107.5	I282	P280-I282 PolarHBondContact O-N 3.43Å
281	K	35.6	Very low	36.5	Very low	198 Å²	198	140.5 Å²	140.5	86%	0.861	70%	0.701	S	S	*	*			trans	-63.2	92.9	168.4	-76	-178.9	178.9	177	0	106.8	Q279 D283	Q279-K281 PolarHBondContact O-N 3.34Å; K281-D283 PolarHBondContact O-N 3.09Å; K281-D283 VanDerWaalsContact O-N 3.07Å
282	I	37.5	Very low	38	Very low	133 Å²	133	136 Å²	136	68%	0.682	68%	0.683	S	S	*	*			trans	-63.3	109.8	165.2	-61.9	173.2	0	0	0	105.1	P280 K284	P280-I282 PolarHBondContact O-N 3.43Å; I282-K284 PolarHBondContact O-N 2.93Å; I282-K284 VanDerWaalsContact O-N 3.08Å
283	D	35.2	Very low	39.2	Very low	105 Å²	105	132.8 Å²	132.8	56%	0.561	67%	0.666	S	S	*	*			trans	-52.8	118.3	175.3	-74.9	-38.5	0	0	0	108.8	K281 I285 N286	K281-D283 PolarHBondContact O-N 3.09Å; K281-D283 VanDerWaalsContact O-N 3.07Å; D283-I285 PolarHBondContact O-N 3.47Å; D283-N286 PolarHBondContact O-N 3.1Å
284	K	42.9	Very low	40.1	Very low	177 Å²	177	129.4 Å²	129.4	77%	0.77	65%	0.648	S	S	*	*	H	α-helix	trans	-51.7	-26.6	176.4	-76.4	-178.2	174	-178.7	0	112.3	I282 N286 S287 D288	I282-K284 PolarHBondContact O-N 2.93Å; I282-K284 VanDerWaalsContact O-N 3.08Å; K284-N286 VanDerWaalsContact C-N 3.28Å; K284-N286 PolarHBondContact O-N 3.11Å; K284-S287 PolarHBondContact O-N 3.38Å; K284-S287 PolarHBondContact O-OG 3Å; K284-D288 PolarHBondContact O-N 3.05Å
285	I	36.7	Very low	41.8	Very low	143 Å²	143	128 Å²	128	73%	0.733	63%	0.63	S	S	*	*	H	α-helix	trans	-63.8	-32	176.2	-60	172.1	0	0	0	111.9	D283 S289	D283-I285 PolarHBondContact O-N 3.47Å; I285-S289 PolarHBondContact O-N 3.42Å
286	N	43.8	Very low	43.9	Very low	96 Å²	96	129.9 Å²	129.9	51%	0.513	63%	0.627	S	S	.	*	H	α-helix	trans	-84.8	-22.5	178.9	-96.8	-23.8	0	0	0	113.7	D283 K284 S289 R290	D283-N286 PolarHBondContact O-N 3.1Å; K284-N286 VanDerWaalsContact C-N 3.28Å; K284-N286 PolarHBondContact O-N 3.11Å; N286-S289 PolarHBondContact O-OG 3.48Å; N286-R290 WeakPolarHBondContact O-CB 3.31Å; N286-R290 WeakPolarHBondContact O-CD 3.07Å; N286-R290 WeakPolarHBondContact O-CG 3.48Å; N286-R290 PolarHBondContact O-N 3.08Å
287	S	37.2	Very low	45	Very low	53 Å²	53	122.9 Å²	122.9	37%	0.371	60%	0.602	S	S	.	*	H	α-helix	trans	-74	-41.7	174.2	63	0	0	0	0	111.6	K284 R290 F291	K284-S287 PolarHBondContact O-N 3.38Å; K284-S287 PolarHBondContact O-OG 3Å; S287-R290 PolarHBondContact O-N 2.96Å; S287-F291 WeakPolarHBondContact O-CB 3.22Å; S287-F291 PolarHBondContact O-N 3Å
288	D	41.7	Very low	46.8	Very low	110 Å²	110	118.5 Å²	118.5	59%	0.588	59%	0.589	S	S	*	*	H	α-helix	trans	-69.6	-38.8	-178.7	-68.1	-9.7	0	0	0	111.2	K284 F291 E292	K284-D288 PolarHBondContact O-N 3.05Å; D288-F291 PolarHBondContact O-N 3.44Å; D288-E292 PolarHBondContact O-N 3.19Å
289	S	53.7	Low	48.9	Very low	50 Å²	50	120.9 Å²	120.9	35%	0.35	58%	0.582	S	S	.	*	H	α-helix	trans	-65.3	-41	174.7	81.8	0	0	0	0	112.2	I285 N286 E292 I293	I285-S289 PolarHBondContact O-N 3.42Å; N286-S289 PolarHBondContact O-OG 3.48Å; S289-E292 PolarHBondContact O-N 3.46Å; S289-I293 WeakPolarHBondContact O-CD1 3.35Å; S289-I293 WeakPolarHBondContact O-CG1 3.44Å; S289-I293 PolarHBondContact O-N 3.2Å
290	R	44.5	Very low	50.7	Low	178 Å²	178	115.8 Å²	115.8	67%	0.672	56%	0.56	S	S	*	*	H	α-helix	trans	-64.3	-39.6	175.6	-81.4	177.2	143.7	-171.1	-6	112.1	N286 S287 I293 F294	N286-R290 WeakPolarHBondContact O-CB 3.31Å; N286-R290 WeakPolarHBondContact O-CD 3.07Å; N286-R290 WeakPolarHBondContact O-CG 3.48Å; N286-R290 PolarHBondContact O-N 3.08Å; S287-R290 PolarHBondContact O-N 2.96Å; R290-I293 PolarHBondContact O-N 3.31Å; R290-F294 PolarHBondContact O-N 2.88Å
291	F	48.2	Very low	52.2	Low	121 Å²	121	115.7 Å²	115.7	53%	0.531	55%	0.545	S	S	.	.	H	α-helix	trans	-69.1	-39.5	178	-166.8	-117.3	0	0	0	112.1	S287 D288 F294 K295	S287-F291 WeakPolarHBondContact O-CB 3.22Å; S287-F291 PolarHBondContact O-N 3Å; D288-F291 PolarHBondContact O-N 3.44Å; F291-F294 WeakPolarHBondContact O-CB 3.35Å; F291-F294 PolarHBondContact O-N 3.25Å; F291-K295 HydrophobicContact CE1-CD 4.39Å; F291-K295 PolarHBondContact O-N 2.93Å
292	E	62.5	Low	54	Low	101 Å²	101	114.8 Å²	114.8	47%	0.472	54%	0.536	S	S	.	.	H	α-helix	trans	-68	-35.8	173.8	-73.4	-56.7	131.2	0	0	112.7	D288 S289 F294 K295 K296	D288-E292 PolarHBondContact O-N 3.19Å; S289-E292 PolarHBondContact O-N 3.46Å; E292-F294 VanDerWaalsContact C-N 3.35Å; E292-K295 PolarHBondContact O-N 3.4Å; E292-K295 IonicContact OE1-NZ 3.95Å; E292-K295 PolarHBondContact OE1-NZ 2.78Å; E292-K296 WeakPolarHBondContact O-CB 3.33Å; E292-K296 PolarHBondContact O-N 3.04Å
293	I	58	Low	55.7	Low	104 Å²	104	113 Å²	113	53%	0.533	53%	0.525	S	S	.	.	H	α-helix	trans	-61.7	-44.5	170.7	-69.7	164.3	0	0	0	110.4	S289 R290 K296 V297	S289-I293 WeakPolarHBondContact O-CD1 3.35Å; S289-I293 WeakPolarHBondContact O-CG1 3.44Å; S289-I293 PolarHBondContact O-N 3.2Å; R290-I293 PolarHBondContact O-N 3.31Å; I293-K296 PolarHBondContact O-N 3.2Å; I293-V297 HydrophobicContact CG2-CG2 4.43Å; I293-V297 WeakPolarHBondContact O-CG2 3.39Å; I293-V297 PolarHBondContact O-N 2.81Å
294	F	52.4	Low	57.1	Low	125 Å²	125	114.5 Å²	114.5	55%	0.548	52%	0.523	S	S	.	.	H	α-helix	trans	-59.7	-48.7	176.9	-177.7	-93.1	0	0	0	111.7	R290 F291 E292 K296 V297 E298	R290-F294 PolarHBondContact O-N 2.88Å; F291-F294 WeakPolarHBondContact O-CB 3.35Å; F291-F294 PolarHBondContact O-N 3.25Å; E292-F294 VanDerWaalsContact C-N 3.35Å; F294-K296 VanDerWaalsContact C-N 3.32Å; F294-K296 PolarHBondContact O-N 3.33Å; F294-V297 PolarHBondContact O-N 3.17Å; F294-E298 PolarHBondContact O-N 3.4Å
295	K	66.2	Low	58	Low	75 Å²	75	114.6 Å²	114.6	33%	0.326	52%	0.518	S	S	.	.	H	α-helix	trans	-58.5	-41.4	175.3	-72.6	-177.3	-168.5	160.3	0	112.5	F291 E292 E298 R299	F291-K295 HydrophobicContact CE1-CD 4.39Å; F291-K295 PolarHBondContact O-N 2.93Å; E292-K295 PolarHBondContact O-N 3.4Å; E292-K295 IonicContact OE1-NZ 3.95Å; E292-K295 PolarHBondContact OE1-NZ 2.78Å; K295-E298 PolarHBondContact O-N 3.16Å; K295-R299 WeakPolarHBondContact O-CB 3.43Å; K295-R299 PolarHBondContact O-N 3.39Å
296	K	72.4	Confident	59.7	Low	139 Å²	139	112.6 Å²	112.6	60%	0.604	51%	0.506	S	S	*	.	H	α-helix	trans	-63.6	-43.3	177.2	-174.1	178.2	-179.6	178.9	0	111.6	E292 I293 F294 E298 R299 N300	E292-K296 WeakPolarHBondContact O-CB 3.33Å; E292-K296 PolarHBondContact O-N 3.04Å; I293-K296 PolarHBondContact O-N 3.2Å; F294-K296 VanDerWaalsContact C-N 3.32Å; F294-K296 PolarHBondContact O-N 3.33Å; K296-E298 VanDerWaalsContact C-N 3.35Å; K296-R299 PolarHBondContact O-N 3.08Å; K296-N300 WeakPolarHBondContact O-CB 3.47Å; K296-N300 VanDerWaalsContact O-CG 3.22Å; K296-N300 PolarHBondContact O-N 3.48Å; K296-N300 PolarHBondContact O-OD1 3.49Å
297	V	55.5	Low	60.8	Low	64 Å²	64	115.3 Å²	115.3	39%	0.388	51%	0.513	S	S	.	.	H	α-helix	trans	-63.6	-41.6	176.3	171.2	0	0	0	0	111.2	I293 F294 N300 R301	I293-V297 HydrophobicContact CG2-CG2 4.43Å; I293-V297 WeakPolarHBondContact O-CG2 3.39Å; I293-V297 PolarHBondContact O-N 2.81Å; F294-V297 PolarHBondContact O-N 3.17Å; V297-N300 PolarHBondContact O-N 2.82Å; V297-R301 WeakPolarHBondContact O-CG 3.48Å; V297-R301 PolarHBondContact O-N 2.91Å
298	E	65.3	Low	61.5	Low	121 Å²	121	118.9 Å²	118.9	57%	0.565	52%	0.519	S	S	*	.	H	α-helix	trans	-65.3	-43.4	178.3	-142.9	-165	-171.3	0	0	112	F294 K295 K296 N300 R301 R302	F294-E298 PolarHBondContact O-N 3.4Å; K295-E298 PolarHBondContact O-N 3.16Å; K296-E298 VanDerWaalsContact C-N 3.35Å; E298-N300 PolarHBondContact O-N 2.88Å; E298-R301 WeakPolarHBondContact O-CB 3.49Å; E298-R301 PolarHBondContact O-N 3.22Å; E298-R301 VanDerWaalsContact O-N 3.15Å; E298-R302 PolarHBondContact O-N 3.43Å
299	R	73.9	Confident	62.1	Low	161 Å²	161	122.2 Å²	122.2	61%	0.608	53%	0.529	S	S	*	.	H	α-helix	trans	-59.3	-46.6	174.5	-152	-177.6	-69.3	161.2	-1.8	111.3	K295 K296 R301 R302 E303	K295-R299 WeakPolarHBondContact O-CB 3.43Å; K295-R299 PolarHBondContact O-N 3.39Å; K296-R299 PolarHBondContact O-N 3.08Å; R299-R301 VanDerWaalsContact C-N 3.3Å; R299-R301 PolarHBondContact O-N 2.77Å; R299-R302 PolarHBondContact O-N 3.43Å; R299-E303 WeakPolarHBondContact O-CG 3.29Å; R299-E303 PolarHBondContact O-N 3.38Å
300	N	69.3	Low	62.2	Low	66 Å²	66	128 Å²	128	35%	0.353	55%	0.548	S	S	.	.	H	α-helix	trans	-64.2	-30	175.7	-71	-6.6	0	0	0	113.6	K296 V297 E298 R304	K296-N300 WeakPolarHBondContact O-CB 3.47Å; K296-N300 VanDerWaalsContact O-CG 3.22Å; K296-N300 PolarHBondContact O-N 3.48Å; K296-N300 PolarHBondContact O-OD1 3.49Å; V297-N300 PolarHBondContact O-N 2.82Å; E298-N300 PolarHBondContact O-N 2.88Å; N300-R304 WeakPolarHBondContact O-CB 3.4Å; N300-R304 WeakPolarHBondContact O-CG 3.3Å; N300-R304 PolarHBondContact O-N 3.02Å; N300-R304 VanDerWaalsContact O-N 3.17Å; N300-R304 PolarHBondContact O-NE 2.95Å
301	R	64	Low	62.2	Low	110 Å²	110	123 Å²	123	42%	0.415	53%	0.534	S	S	.	.	H	α-helix	trans	-71.9	-42	174	-80.5	179.7	173.6	178	-1.3	111	V297 E298 R299 R304 R305	V297-R301 WeakPolarHBondContact O-CG 3.48Å; V297-R301 PolarHBondContact O-N 2.91Å; E298-R301 WeakPolarHBondContact O-CB 3.49Å; E298-R301 PolarHBondContact O-N 3.22Å; E298-R301 VanDerWaalsContact O-N 3.15Å; R299-R301 VanDerWaalsContact C-N 3.3Å; R299-R301 PolarHBondContact O-N 2.77Å; R301-R304 PolarHBondContact O-N 3.23Å; R301-R305 WeakPolarHBondContact O-CG 3.43Å; R301-R305 PolarHBondContact O-N 2.94Å
302	R	72.8	Confident	62	Low	178 Å²	178	121.5 Å²	121.5	67%	0.672	54%	0.536	S	S	*	.	H	α-helix	trans	-62.7	-47.8	175.8	-172.9	178.6	-85.8	-176.2	-5.5	111.1	E298 R299 R304 R305 E306	E298-R302 PolarHBondContact O-N 3.43Å; R299-R302 PolarHBondContact O-N 3.43Å; R302-R304 VanDerWaalsContact C-N 3.34Å; R302-R304 PolarHBondContact O-N 3.35Å; R302-R305 PolarHBondContact O-N 3.23Å; R302-E306 WeakPolarHBondContact CG-OE1 3.49Å; R302-E306 WeakPolarHBondContact O-CG 3.02Å; R302-E306 PolarHBondContact O-N 3.2Å
303	E	73.9	Confident	61.2	Low	95 Å²	95	126.2 Å²	126.2	44%	0.444	55%	0.551	S	S	.	*	H	α-helix	trans	-60.4	-39.4	176.8	-72.6	173.5	-165.2	0	0	113	R299 E306 K307	R299-E303 WeakPolarHBondContact O-CG 3.29Å; R299-E303 PolarHBondContact O-N 3.38Å; E303-E306 PolarHBondContact O-N 3.03Å; E303-K307 WeakPolarHBondContact O-CB 3.36Å; E303-K307 PolarHBondContact O-N 3.02Å
304	R	63.6	Low	60.5	Low	137 Å²	137	126.7 Å²	126.7	52%	0.517	56%	0.555	S	S	.	*	H	α-helix	trans	-64.5	-47.9	174.4	-82.5	-174.9	-74.9	-177.1	-4.4	111.5	N300 R301 R302 E306 K307 Y308	N300-R304 WeakPolarHBondContact O-CB 3.4Å; N300-R304 WeakPolarHBondContact O-CG 3.3Å; N300-R304 PolarHBondContact O-N 3.02Å; N300-R304 VanDerWaalsContact O-N 3.17Å; N300-R304 PolarHBondContact O-NE 2.95Å; R301-R304 PolarHBondContact O-N 3.23Å; R302-R304 VanDerWaalsContact C-N 3.34Å; R302-R304 PolarHBondContact O-N 3.35Å; R304-E306 VanDerWaalsContact C-N 3.3Å; R304-E306 PolarHBondContact O-N 3.12Å; R304-K307 PolarHBondContact O-N 2.85Å; R304-Y308 HydrophobicContact CB-CD2 4.27Å; R304-Y308 HydrophobicContact CB-CE2 4.19Å; R304-Y308 HydrophobicContact CG-CE2 4.5Å; R304-Y308 WeakPolarHBondContact O-CD2 3.38Å; R304-Y308 PolarHBondContact O-N 3.32Å
305	R	63.5	Low	60	Low	180 Å²	180	126.7 Å²	126.7	68%	0.679	56%	0.559	S	S	*	*	H	α-helix	trans	-57	-46.2	175.9	-75.5	-176.4	-179	-175.3	0.4	110.7	R301 R302 K307 Y308 F309	R301-R305 WeakPolarHBondContact O-CG 3.43Å; R301-R305 PolarHBondContact O-N 2.94Å; R302-R305 PolarHBondContact O-N 3.23Å; R305-K307 VanDerWaalsContact C-N 3.34Å; R305-K307 PolarHBondContact O-N 2.99Å; R305-Y308 PolarHBondContact O-N 3.46Å; R305-F309 WeakPolarHBondContact O-CB 3.17Å; R305-F309 VanDerWaalsContact O-CD2 3.3Å; R305-F309 WeakPolarHBondContact O-CD2 3.13Å; R305-F309 PolarHBondContact O-N 2.96Å
306	E	72.4	Confident	58.6	Low	101 Å²	101	129.6 Å²	129.6	47%	0.472	58%	0.579	S	S	.	*	H	α-helix	trans	-62.3	-38.2	177.5	-72.1	174.3	-165	0	0	112.9	R302 E303 R304 K310	R302-E306 WeakPolarHBondContact CG-OE1 3.49Å; R302-E306 WeakPolarHBondContact O-CG 3.02Å; R302-E306 PolarHBondContact O-N 3.2Å; E303-E306 PolarHBondContact O-N 3.03Å; R304-E306 VanDerWaalsContact C-N 3.3Å; R304-E306 PolarHBondContact O-N 3.12Å; E306-K310 VanDerWaalsContact O-CB 3.31Å; E306-K310 WeakPolarHBondContact O-CB 3.32Å; E306-K310 VanDerWaalsContact O-CG 3.32Å; E306-K310 WeakPolarHBondContact O-CG 3.31Å; E306-K310 PolarHBondContact O-N 3.34Å
307	K	65.6	Low	56.7	Low	152 Å²	152	128.5 Å²	128.5	66%	0.661	59%	0.586	S	S	*	*	H	α-helix	trans	-66.6	-42.2	173.5	-81.5	-176.6	176.7	179.7	0	113	E303 R304 R305 N311	E303-K307 WeakPolarHBondContact O-CB 3.36Å; E303-K307 PolarHBondContact O-N 3.02Å; R304-K307 PolarHBondContact O-N 2.85Å; R305-K307 VanDerWaalsContact C-N 3.34Å; R305-K307 PolarHBondContact O-N 2.99Å; K307-N311 PolarHBondContact O-N 3.2Å
308	Y	52.8	Low	55.9	Low	128 Å²	128	133.3 Å²	133.3	50%	0.502	60%	0.603	S	S	.	*	H	α-helix	trans	-71.3	-34	178.5	-74.5	-67.3	0	0	0	112.4	R304 R305	R304-Y308 HydrophobicContact CB-CD2 4.27Å; R304-Y308 HydrophobicContact CB-CE2 4.19Å; R304-Y308 HydrophobicContact CG-CE2 4.5Å; R304-Y308 WeakPolarHBondContact O-CD2 3.38Å; R304-Y308 PolarHBondContact O-N 3.32Å; R305-Y308 PolarHBondContact O-N 3.46Å
309	F	53.2	Low	54.4	Low	181 Å²	181	132.8 Å²	132.8	79%	0.794	61%	0.611	S	S	*	*	H	α-helix	trans	-76.2	-28.5	175.5	-89.3	-80.7	0	0	0	113.4	R305	R305-F309 WeakPolarHBondContact O-CB 3.17Å; R305-F309 VanDerWaalsContact O-CD2 3.3Å; R305-F309 WeakPolarHBondContact O-CD2 3.13Å; R305-F309 PolarHBondContact O-N 2.96Å
310	K	56.5	Low	52.5	Low	172 Å²	172	131 Å²	131	75%	0.748	62%	0.617	S	S	*	*	H	α-helix	trans	-80.9	-12.3	175.8	-77.1	-179	177.7	178.4	0	114.1	E306	E306-K310 VanDerWaalsContact O-CB 3.31Å; E306-K310 WeakPolarHBondContact O-CB 3.32Å; E306-K310 VanDerWaalsContact O-CG 3.32Å; E306-K310 WeakPolarHBondContact O-CG 3.31Å; E306-K310 PolarHBondContact O-N 3.34Å
311	N	44.5	Very low	51.1	Low	71 Å²	71	135.5 Å²	135.5	38%	0.38	64%	0.636	S	S	.	*			trans	-137.7	80.9	-176.7	-144.7	-8.6	0	0	0	111.3	K307 Y313 L314	K307-N311 PolarHBondContact O-N 3.2Å; N311-Y313 PolarHBondContact O-N 2.69Å; N311-L314 HydrophobicContact CB-CD1 4.13Å; N311-L314 HydrophobicContact CB-CG 4.38Å; N311-L314 PolarHBondContact O-N 3.41Å
312	P	44.1	Very low	49.8	Very low	90 Å²	90	137 Å²	137	58%	0.584	65%	0.652	S	S	*	*	G	3₁₀ helix	trans	-61.9	-13.3	-179.9	24.9	-32.8	0	0	0	113.1	L314	P312-L314 VanDerWaalsContact C-N 3.31Å; P312-L314 PolarHBondContact O-N 3.23Å
313	Y	45.7	Very low	48.3	Very low	200 Å²	200	136.4 Å²	136.4	78%	0.784	66%	0.657	S	S	*	*	G	3₁₀ helix	trans	-76.9	-7.9	178.1	-61.9	-77.3	0	0	0	114.9	N311	N311-Y313 PolarHBondContact O-N 2.69Å
314	L	43	Very low	46.4	Very low	115 Å²	115	140.2 Å²	140.2	60%	0.602	68%	0.677	S	S	*	*	G	3₁₀ helix	trans	-90.9	1.9	178.1	-69.3	175	0	0	0	114.2	N311 P312	N311-L314 HydrophobicContact CB-CD1 4.13Å; N311-L314 HydrophobicContact CB-CG 4.38Å; N311-L314 PolarHBondContact O-N 3.41Å; P312-L314 VanDerWaalsContact C-N 3.31Å; P312-L314 PolarHBondContact O-N 3.23Å
315	L	41	Very low	45.3	Very low	124 Å²	124	139 Å²	139	65%	0.649	69%	0.69	S	S	*	*	G	3₁₀ helix	trans	-100.4	-0.1	179.5	-95	140.4	0	0	0	114.1
316	N	36.9	Very low	44.3	Very low	137 Å²	137	143.4 Å²	143.4	73%	0.733	72%	0.718	S	S	*	*			trans	-131.7	104.8	175.8	-91.2	-24.8	0	0	0	111.2	H318	N316-H318 PolarHBondContact O-N 3.49Å
317	P	33.5	Very low	42.9	Very low	115 Å²	115	145.5 Å²	145.5	75%	0.747	73%	0.73	S	S	*	*			trans	-89.2	57.4	169.7	36.9	-31.1	0	0	0	109.9
318	H	37.6	Very low	41.7	Very low	165 Å²	165	145.2 Å²	145.2	76%	0.764	73%	0.734	S	S	*	*			trans	-153.6	110.6	164.4	-89.7	-67.4	0	0	0	109.9	N316 V320	N316-H318 PolarHBondContact O-N 3.49Å; H318-V320 PolarHBondContact O-N 2.97Å
319	P	34.6	Very low	41.1	Very low	111 Å²	111	146.1 Å²	146.1	72%	0.721	75%	0.747	S	S	*	*			trans	-71.9	117.2	163	28.9	-26.7	0	0	0	107.4	Q321	P319-Q321 VanDerWaalsContact C-N 3.29Å; P319-Q321 PolarHBondContact O-N 3.12Å
320	V	34.9	Very low	40.4	Very low	123 Å²	123	144.1 Å²	144.1	75%	0.745	74%	0.744	S	S	*	*			trans	-63	98.6	159.9	176.8	0	0	0	0	105.8	H318 N322	H318-V320 PolarHBondContact O-N 2.97Å; V320-N322 PolarHBondContact O-N 3.21Å
321	Q	38.8	Very low	39.4	Very low	161 Å²	161	142.3 Å²	142.3	75%	0.752	74%	0.744	S	S	*	*			trans	-69.9	87.5	164	-77	-178.5	-51.8	0	0	107.3	P319 E323	P319-Q321 VanDerWaalsContact C-N 3.29Å; P319-Q321 PolarHBondContact O-N 3.12Å; Q321-E323 VanDerWaalsContact C-N 3.3Å; Q321-E323 PolarHBondContact O-N 3.18Å
322	N	36.1	Very low	39	Very low	140 Å²	140	147.1 Å²	147.1	75%	0.749	77%	0.768	S	S	*	*			trans	-75.2	90.3	155	-95.5	-8.1	0	0	0	106.7	V320 M324	V320-N322 PolarHBondContact O-N 3.21Å; N322-M324 VanDerWaalsContact C-N 3.26Å; N322-M324 PolarHBondContact O-N 3.21Å; N322-M324 VanDerWaalsContact O-N 3.12Å
323	E	42.4	Very low	38.7	Very low	166 Å²	166	151.1 Å²	151.1	78%	0.776	78%	0.781	S	S	*	*			trans	-75.5	88.5	158	-73	-174.8	168.4	0	0	107.6	Q321	Q321-E323 VanDerWaalsContact C-N 3.3Å; Q321-E323 PolarHBondContact O-N 3.18Å
324	M	33.9	Very low	38.1	Very low	175 Å²	175	147.4 Å²	147.4	86%	0.862	78%	0.781	S	S	*	*			trans	-90.6	105.7	148.1	-79.4	-168.9	76.5	0	0	107.1	N322	N322-M324 VanDerWaalsContact C-N 3.26Å; N322-M324 PolarHBondContact O-N 3.21Å; N322-M324 VanDerWaalsContact O-N 3.12Å
325	S	39.9	Very low	37.7	Very low	112 Å²	112	150.1 Å²	150.1	78%	0.783	80%	0.796	S	S	*	*			trans	-167	116.3	164.6	-46.3	0	0	0	0	104.4
326	E	42.9	Very low	37.4	Very low	272 Å²	272	152.5 Å²	152.5	100%	1.271	81%	0.809	S	S	*	*			cis	-134.8	0	6.9	-77.4	176.1	135.5	0	0	109.4

Retrieved 326 of 326 residues in 47.9 ms (Link to these results)

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