G4V7E0_SCHMA Loading...

Smp_200570

AlphaFold DB , UniProt , Accession G4V7E0, Species SCHMA (Schistosoma mansoni, Blood fluke), Gene n/a, Length 164 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	26.6	Very low	29.5	Very low	227 Å²	227	105.5 Å²	105.5	100%	1.118	51%	0.507	S	S	*	.				0	126.7	0	-83	174.1	165.3	0	0	107.5
2	K	27.3	Very low	29.5	Very low	173 Å²	173	110.8 Å²	110.8	75%	0.752	53%	0.53	S	S	*	.			trans	-80.3	117.7	171.7	-71.7	-174.2	175.5	-177.4	0	108.1	N26	K2-N26 VanDerWaalsContact CA-ND2 3.29Å; K2-N26 WeakPolarHBondContact CA-ND2 3.32Å; K2-N26 WeakPolarHBondContact CB-ND2 3.45Å
3	S	26.9	Very low	29.3	Very low	68 Å²	68	109.5 Å²	109.5	48%	0.476	52%	0.523	S	S	.	.			trans	-99	108.6	171.1	-70.9	0	0	0	0	109.5	L25	S3-L25 WeakPolarHBondContact O-CB 2.98Å; S3-L25 WeakPolarHBondContact O-CD1 3.42Å; S3-L25 WeakPolarHBondContact O-CG 3.29Å
4	T	27.3	Very low	29.6	Very low	73 Å²	73	105.4 Å²	105.4	45%	0.448	51%	0.512	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-102.1	133.4	171.6	44	0	0	0	0	109.1
5	F	31.9	Very low	30	Very low	78 Å²	78	102.6 Å²	102.6	34%	0.342	50%	0.496	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-89.4	125.7	163.4	-74.7	-79.3	0	0	0	108.7	L25 Y129	F5-L25 HydrophobicContact CD2-CD1 3.53Å; F5-L25 HydrophobicContact CD2-CD2 3.88Å; F5-L25 HydrophobicContact CD2-CG 3.88Å; F5-L25 HydrophobicContact CE2-CD1 3.24Å; F5-L25 HydrophobicContact CE2-CD2 3.85Å; F5-L25 HydrophobicContact CE2-CG 3.96Å; F5-L25 HydrophobicContact CZ-CD1 4.26Å; F5-Y129 HydrophobicContact CD1-CD2 4.41Å; F5-Y129 AromaticContact CD1-CE2 3.89Å; F5-Y129 HydrophobicContact CD1-CE2 3.89Å; F5-Y129 AromaticContact CD1-CZ 3.93Å; F5-Y129 HydrophobicContact CE1-CD1 4.46Å; F5-Y129 HydrophobicContact CE1-CD2 4.43Å; F5-Y129 HydrophobicContact CE1-CE1 4.26Å; F5-Y129 HydrophobicContact CE1-CE2 4.23Å
6	Q	30.4	Very low	30.4	Very low	96 Å²	96	99.2 Å²	99.2	45%	0.449	48%	0.481	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-100.8	114.8	164.4	-77.3	-178	-25	0	0	108.2	H8 E22	Q6-H8 VanDerWaalsContact C-N 3.32Å; Q6-H8 PolarHBondContact O-N 3.37Å; Q6-E22 HydrophobicContact CG-CG 4.16Å; Q6-E22 WeakPolarHBondContact CG-OE1 3.43Å; Q6-E22 PolarHBondContact NE2-OE1 3.2Å
7	L	33	Very low	30.9	Very low	72 Å²	72	97.8 Å²	97.8	38%	0.377	48%	0.482	S	S	.	.			trans	-72.9	92.2	163.8	-95.3	144	0	0	0	107.3	K9 F23 L45	L7-K9 PolarHBondContact O-N 3.32Å; L7-F23 HydrophobicContact CD1-CE2 4.25Å; L7-L45 WeakPolarHBondContact CD1-O 3.11Å
8	H	30.3	Very low	31.3	Very low	151 Å²	151	95.9 Å²	95.9	70%	0.699	49%	0.491	S	S	*	.	S	Bend	trans	-71.2	-3.2	-167.3	-130.4	158.8	0	0	0	115	Q6	Q6-H8 VanDerWaalsContact C-N 3.32Å; Q6-H8 PolarHBondContact O-N 3.37Å
9	K	30.6	Very low	31.6	Very low	89 Å²	89	92.2 Å²	92.2	39%	0.387	47%	0.474	S	S	.	.			trans	-130.4	90.2	171.7	-89.5	-179.4	177.2	166.8	0	110.5	L7 N122 L126	L7-K9 PolarHBondContact O-N 3.32Å; K9-N122 PolarHBondContact NZ-O 3.13Å; K9-L126 HydrophobicContact CB-CD2 4.41Å; K9-L126 HydrophobicContact CD-CD2 4.32Å; K9-L126 HydrophobicContact CD-CG 4.35Å
10	Y	31.1	Very low	32	Very low	82 Å²	82	93.8 Å²	93.8	32%	0.322	48%	0.478	S	S	.	.			trans	-78.1	132.3	169	-151	-115.7	0	0	0	108.5	E12 S14 N21	Y10-E12 PolarHBondContact O-N 3.01Å; Y10-S14 WeakPolarHBondContact CE1-OG 3.42Å; Y10-S14 WeakPolarHBondContact OH-CB 3.31Å; Y10-S14 PolarHBondContact OH-OG 3.4Å; Y10-N21 HydrophobicContact CD2-CB 4.04Å; Y10-N21 HydrophobicContact CE2-CB 3.96Å; Y10-N21 WeakPolarHBondContact CE2-OD1 3.45Å; Y10-N21 VanDerWaalsContact CZ-CG 3.48Å; Y10-N21 PolarHBondContact OH-OD1 2.96Å
11	Y	29.6	Very low	32.3	Very low	52 Å²	52	92.4 Å²	92.4	20%	0.204	47%	0.471	C	S	.	.			trans	-64.4	113.4	146	-76.9	-98.5	0	0	0	104.3	E13 S14 F15 Y39 I44 I119	Y11-E13 CarbonylContact O-C 3.2Å; Y11-E13 PolarHBondContact O-N 3.27Å; Y11-S14 PolarHBondContact O-N 3.43Å; Y11-F15 HydrophobicContact CD1-CE2 4.37Å; Y11-Y39 HydrophobicContact CE1-CE1 4.11Å; Y11-Y39 AromaticContact CZ-CD1 3.9Å; Y11-Y39 AromaticContact CZ-CE1 3.86Å; Y11-Y39 VanDerWaalsContact OH-CD1 3.3Å; Y11-Y39 WeakPolarHBondContact OH-CD1 3.02Å; Y11-Y39 VanDerWaalsContact OH-CE1 3.29Å; Y11-Y39 WeakPolarHBondContact OH-CE1 3.07Å; Y11-I44 HydrophobicContact CD2-CD1 4.19Å; Y11-I44 HydrophobicContact CE2-CD1 3.71Å; Y11-I119 HydrophobicContact CD1-CD1 3.6Å; Y11-I119 HydrophobicContact CE1-CB 4.21Å; Y11-I119 HydrophobicContact CE1-CD1 3.56Å; Y11-I119 HydrophobicContact CE1-CG1 4.47Å; Y11-I119 HydrophobicContact CE1-CG2 4.09Å
12	E	28.6	Very low	32.7	Very low	168 Å²	168	86.5 Å²	86.5	79%	0.785	44%	0.441	S	S	*	.	S	Bend	trans	-52.6	-18.9	174.2	-120.1	178.2	176.1	0	0	112.7	Y10 S14	Y10-E12 PolarHBondContact O-N 3.01Å; E12-S14 PolarHBondContact O-N 2.92Å
13	E	27.5	Very low	33.5	Very low	95 Å²	95	79.9 Å²	79.9	44%	0.444	41%	0.412	S	S	.	.			trans	-81.5	85	161.6	-64.5	174.5	-178.6	0	0	109.8	Y11 F15	Y11-E13 CarbonylContact O-C 3.2Å; Y11-E13 PolarHBondContact O-N 3.27Å; E13-F15 HydrophobicContact CB-CE1 4.43Å; E13-F15 HydrophobicContact CB-CE2 4.24Å; E13-F15 HydrophobicContact CB-CZ 4.19Å; E13-F15 VanDerWaalsContact O-CD2 3.27Å; E13-F15 WeakPolarHBondContact O-CD2 3.46Å; E13-F15 PolarHBondContact O-N 3.41Å; E13-F15 WeakPolarHBondContact OE2-CZ 3.26Å
14	S	32.7	Very low	34.1	Very low	52 Å²	52	80.2 Å²	80.2	36%	0.364	41%	0.409	S	S	.	.			trans	-55.4	93.1	148.9	-1.9	0	0	0	0	106.3	Y10 Y11 E12 L16	Y10-S14 WeakPolarHBondContact CE1-OG 3.42Å; Y10-S14 WeakPolarHBondContact OH-CB 3.31Å; Y10-S14 PolarHBondContact OH-OG 3.4Å; Y11-S14 PolarHBondContact O-N 3.43Å; E12-S14 PolarHBondContact O-N 2.92Å; S14-L16 PolarHBondContact O-N 3.22Å
15	F	36.3	Very low	34.7	Very low	63 Å²	63	79.4 Å²	79.4	28%	0.276	40%	0.401	S	S	.	.	S	Bend	trans	-56.2	-10.6	174.5	-71.5	-78.5	0	0	0	112.2	Y11 E13 F107 F114	Y11-F15 HydrophobicContact CD1-CE2 4.37Å; E13-F15 HydrophobicContact CB-CE1 4.43Å; E13-F15 HydrophobicContact CB-CE2 4.24Å; E13-F15 HydrophobicContact CB-CZ 4.19Å; E13-F15 VanDerWaalsContact O-CD2 3.27Å; E13-F15 WeakPolarHBondContact O-CD2 3.46Å; E13-F15 PolarHBondContact O-N 3.41Å; E13-F15 WeakPolarHBondContact OE2-CZ 3.26Å; F15-F107 WeakPolarHBondContact O-CE1 3.22Å; F15-F114 HydrophobicContact CD1-CD1 4.12Å; F15-F114 AromaticContact CD1-CE1 3.57Å; F15-F114 HydrophobicContact CD1-CE1 3.57Å; F15-F114 HydrophobicContact CD1-CZ 4.22Å; F15-F114 HydrophobicContact CE1-CD1 4.16Å; F15-F114 HydrophobicContact CE1-CE1 4.04Å
16	L	36.1	Very low	35	Very low	48 Å²	48	79 Å²	79	25%	0.251	40%	0.403	S	S	.	.	S	Bend	trans	-129.1	124.3	177.9	-63.1	177.9	0	0	0	111.8	S14 C19 Y37	S14-L16 PolarHBondContact O-N 3.22Å; L16-C19 PolarHBondContact O-SG 3.09Å; L16-Y37 WeakPolarHBondContact CD1-OH 3.45Å
17	P	39.8	Very low	35.7	Very low	76 Å²	76	76.8 Å²	76.8	49%	0.494	40%	0.398	S	S	.	.	T	Hydrogen-bonded Turn	trans	-63.5	140.9	175.4	26	-31.3	0	0	0	109.8	F107	P17-F107 HydrophobicContact CB-CD2 4.47Å; P17-F107 HydrophobicContact CG-CB 4.23Å; P17-F107 HydrophobicContact CG-CD2 3.66Å; P17-F107 HydrophobicContact CG-CE2 4.44Å; P17-F107 HydrophobicContact CG-CG 4.31Å
18	G	37.6	Very low	36.2	Very low	64 Å²	64	78.5 Å²	78.5	66%	0.66	42%	0.416	S	S	*	.	T	Hydrogen-bonded Turn	trans	87.7	8.3	176.9	0	0	0	0	0	116.1
19	C	37.2	Very low	36.9	Very low	24 Å²	24	73.9 Å²	73.9	16%	0.162	40%	0.398	C	S	.	.	B	Isolated β-bridge	trans	-81.5	134.3	171.4	-63.1	0	0	0	0	110.9	L16 V46	L16-C19 PolarHBondContact O-SG 3.09Å; C19-V46 HydrophobicContact CB-CG1 4.19Å; C19-V46 VanDerWaalsContact SG-CG1 3.56Å
20	K	38.7	Very low	37.5	Very low	125 Å²	125	75 Å²	75	54%	0.543	41%	0.408	S	S	.	.			trans	-97.9	149.4	171.1	-72.3	-171.5	175.8	-177	0	110.8	F23	K20-F23 HydrophobicContact CB-CE1 4.37Å; K20-F23 WeakPolarHBondContact O-CZ 3.36Å
21	N	39.1	Very low	37.8	Very low	64 Å²	64	74.6 Å²	74.6	34%	0.342	41%	0.412	S	S	.	.	S	Bend	trans	-94.2	-16.3	-177	-44.3	5.5	0	0	0	111	Y10	Y10-N21 HydrophobicContact CD2-CB 4.04Å; Y10-N21 HydrophobicContact CE2-CB 3.96Å; Y10-N21 WeakPolarHBondContact CE2-OD1 3.45Å; Y10-N21 VanDerWaalsContact CZ-CG 3.48Å; Y10-N21 PolarHBondContact OH-OD1 2.96Å
22	E	35.1	Very low	38.6	Very low	103 Å²	103	74.5 Å²	74.5	48%	0.481	41%	0.414	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-127.3	131.1	-179.2	-61.6	-172.1	157.6	0	0	108.2	Q6	Q6-E22 HydrophobicContact CG-CG 4.16Å; Q6-E22 WeakPolarHBondContact CG-OE1 3.43Å; Q6-E22 PolarHBondContact NE2-OE1 3.2Å
23	F	43.1	Very low	39.4	Very low	35 Å²	35	69.5 Å²	69.5	15%	0.154	39%	0.391	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-112.8	125.1	176.3	-57.2	-75.6	0	0	0	108.5	L7 K20 L25 C47	L7-F23 HydrophobicContact CD1-CE2 4.25Å; K20-F23 HydrophobicContact CB-CE1 4.37Å; K20-F23 WeakPolarHBondContact O-CZ 3.36Å; F23-L25 PolarHBondContact O-N 2.93Å; F23-C47 HydrophobicContact CD1-CB 3.82Å; F23-C47 WeakPolarHBondContact CD1-SG 3.47Å; F23-C47 HydrophobicContact CD2-CB 4.49Å; F23-C47 HydrophobicContact CE1-CB 3.21Å; F23-C47 WeakPolarHBondContact CE1-SG 3.01Å; F23-C47 HydrophobicContact CE2-CB 3.95Å; F23-C47 HydrophobicContact CG-CB 4.44Å; F23-C47 HydrophobicContact CZ-CB 3.3Å
24	D	40.9	Very low	40.5	Very low	75 Å²	75	65.5 Å²	65.5	40%	0.401	37%	0.372	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-79.1	105.1	167.5	-170.8	2	0	0	0	108.5	N26 S27	D24-N26 PolarHBondContact O-N 2.88Å; D24-N26 WeakPolarHBondContact OD1-CA 3.3Å; D24-N26 WeakPolarHBondContact OD1-CB 3.3Å; D24-N26 PolarHBondContact OD1-N 3.11Å; D24-N26 PolarHBondContact OD1-ND2 3.45Å; D24-S27 WeakPolarHBondContact O-CB 3.49Å; D24-S27 PolarHBondContact O-N 3.09Å; D24-S27 VanDerWaalsContact O-N 3.09Å
25	L	39.2	Very low	41.1	Very low	55 Å²	55	63.3 Å²	63.3	29%	0.288	36%	0.357	S	S	.	.	T	Hydrogen-bonded Turn	trans	-68	-12.7	173.3	-62.4	173.4	0	0	0	112.8	S3 F5 F23 I32	S3-L25 WeakPolarHBondContact O-CB 2.98Å; S3-L25 WeakPolarHBondContact O-CD1 3.42Å; S3-L25 WeakPolarHBondContact O-CG 3.29Å; F5-L25 HydrophobicContact CD2-CD1 3.53Å; F5-L25 HydrophobicContact CD2-CD2 3.88Å; F5-L25 HydrophobicContact CD2-CG 3.88Å; F5-L25 HydrophobicContact CE2-CD1 3.24Å; F5-L25 HydrophobicContact CE2-CD2 3.85Å; F5-L25 HydrophobicContact CE2-CG 3.96Å; F5-L25 HydrophobicContact CZ-CD1 4.26Å; F23-L25 PolarHBondContact O-N 2.93Å; L25-I32 HydrophobicContact CD2-CD1 4.3Å
26	N	38.7	Very low	41.6	Very low	70 Å²	70	61.4 Å²	61.4	37%	0.374	35%	0.35	S	S	.	.	T	Hydrogen-bonded Turn	trans	-83	-3.3	174	-45.7	-69.3	0	0	0	112	K2 D24 S28	K2-N26 VanDerWaalsContact CA-ND2 3.29Å; K2-N26 WeakPolarHBondContact CA-ND2 3.32Å; K2-N26 WeakPolarHBondContact CB-ND2 3.45Å; D24-N26 PolarHBondContact O-N 2.88Å; D24-N26 WeakPolarHBondContact OD1-CA 3.3Å; D24-N26 WeakPolarHBondContact OD1-CB 3.3Å; D24-N26 PolarHBondContact OD1-N 3.11Å; D24-N26 PolarHBondContact OD1-ND2 3.45Å; N26-S28 PolarHBondContact O-N 3.34Å
27	S	44.7	Very low	42	Very low	50 Å²	50	61.4 Å²	61.4	35%	0.35	35%	0.347	S	S	.	.	S	Bend	trans	-51.4	132.9	167.2	-176.8	0	0	0	0	109.5	D24 V29	D24-S27 WeakPolarHBondContact O-CB 3.49Å; D24-S27 PolarHBondContact O-N 3.09Å; D24-S27 VanDerWaalsContact O-N 3.09Å; S27-V29 PolarHBondContact O-N 3.14Å; S27-V29 VanDerWaalsContact O-N 3.07Å; S27-V29 VanDerWaalsContact OG-CG2 3.3Å; S27-V29 WeakPolarHBondContact OG-CG2 3.46Å
28	S	43.3	Very low	42	Very low	107 Å²	107	58.3 Å²	58.3	75%	0.748	33%	0.326	S	S	*	.	S	Bend	trans	-72	7.1	179.9	52.4	0	0	0	0	113.4	N26 D30	N26-S28 PolarHBondContact O-N 3.34Å; S28-D30 PolarHBondContact O-N 3.13Å
29	V	45	Very low	42.1	Very low	55 Å²	55	57.1 Å²	57.1	33%	0.333	30%	0.302	S	S	.	.			trans	-76.4	121.1	179.9	-171.6	0	0	0	0	109	S27 N31 P50	S27-V29 PolarHBondContact O-N 3.14Å; S27-V29 VanDerWaalsContact O-N 3.07Å; S27-V29 VanDerWaalsContact OG-CG2 3.3Å; S27-V29 WeakPolarHBondContact OG-CG2 3.46Å; V29-N31 WeakPolarHBondContact CG1-O 3.28Å; V29-N31 PolarHBondContact O-N 2.86Å; V29-P50 HydrophobicContact CG1-CB 4.26Å; V29-P50 HydrophobicContact CG1-CG 4.06Å; V29-P50 HydrophobicContact CG2-CG 4.28Å
30	D	42.4	Very low	42.1	Very low	111 Å²	111	60.6 Å²	60.6	59%	0.594	32%	0.319	S	S	*	.	S	Bend	trans	-67.7	-23.3	-178.1	-67.7	-37.7	0	0	0	113.4	S28 R149	S28-D30 PolarHBondContact O-N 3.13Å; D30-R149 WeakPolarHBondContact O-CB 3.4Å; D30-R149 PolarHBondContact O-N 2.78Å
31	N	39.2	Very low	42.2	Very low	74 Å²	74	55.2 Å²	55.2	40%	0.396	30%	0.298	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-130.1	127.8	-176.1	-62.5	-47.1	0	0	0	111.1	V29 T146 V148	V29-N31 WeakPolarHBondContact CG1-O 3.28Å; V29-N31 PolarHBondContact O-N 2.86Å; N31-T146 HydrophobicContact CB-CG2 4.28Å; N31-V148 WeakPolarHBondContact OD1-CA 3.38Å
32	I	46.5	Very low	42.3	Very low	51 Å²	51	55 Å²	55	26%	0.262	30%	0.295	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-107.9	116.6	172.8	-58.3	178.4	0	0	0	107.6	L25 C47 A147	L25-I32 HydrophobicContact CD2-CD1 4.3Å; I32-C47 HydrophobicContact CG2-CB 4.11Å; I32-C47 WeakPolarHBondContact CG2-SG 2.88Å; I32-A147 PolarHBondContact N-O 2.8Å; I32-A147 PolarHBondContact O-N 2.78Å
33	E	45.2	Very low	42.6	Very low	63 Å²	63	51.7 Å²	51.7	29%	0.294	28%	0.281	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-85.2	127.7	173	-70.5	-163.6	149.5	0	0	111.1	C47 R48 R144 T146	E33-C47 WeakPolarHBondContact O-CA 3.38Å; E33-C47 PolarHBondContact O-SG 3.13Å; E33-C47 VanDerWaalsContact O-SG 3.41Å; E33-R48 PolarHBondContact O-N 3.22Å; E33-R48 VanDerWaalsContact O-N 3.14Å; E33-R144 VanDerWaalsContact CD-NH2 3.32Å; E33-R144 IonicContact OE1-CZ 3.92Å; E33-R144 IonicContact OE1-NH2 3.27Å; E33-R144 PolarHBondContact OE1-NH2 3.17Å; E33-R144 IonicContact OE2-CZ 3.6Å; E33-R144 IonicContact OE2-NE 3.77Å; E33-R144 IonicContact OE2-NH2 2.66Å; E33-R144 PolarHBondContact OE2-NH2 3.21Å; E33-T146 HydrophobicContact CG-CG2 4.22Å
34	F	50	Low	42.8	Very low	10 Å²	10	52.2 Å²	52.2	4%	0.044	29%	0.285	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-130.4	153.4	173.7	56.7	-93.7	0	0	0	112.5	V36 L45 V46 C47 Q145 A147 F159	F34-V36 HydrophobicContact CD2-CG2 3.87Å; F34-V36 HydrophobicContact CE2-CG2 3.96Å; F34-L45 HydrophobicContact CB-CD1 3.77Å; F34-L45 HydrophobicContact CB-CG 4.34Å; F34-L45 HydrophobicContact CD1-CD1 4.45Å; F34-L45 HydrophobicContact CD2-CD1 3.13Å; F34-L45 HydrophobicContact CD2-CG 4.44Å; F34-L45 HydrophobicContact CE2-CD1 3.73Å; F34-L45 HydrophobicContact CG-CD1 3.54Å; F34-L45 HydrophobicContact CG-CG 4.49Å; F34-V46 CarbonylContact C-O 3.56Å; F34-V46 WeakPolarHBondContact CA-O 3.27Å; F34-C47 HydrophobicContact CB-CB 4.01Å; F34-Q145 CarbonylContact C-O 3.58Å; F34-Q145 HydrophobicContact CD2-CB 4.07Å; F34-Q145 HydrophobicContact CE2-CB 3.45Å; F34-Q145 VanDerWaalsContact CE2-CB 3.45Å; F34-Q145 HydrophobicContact CE2-CG 4.43Å; F34-Q145 HydrophobicContact CZ-CB 3.81Å; F34-Q145 PolarHBondContact N-O 2.95Å; F34-Q145 PolarHBondContact O-N 3.01Å; F34-A147 HydrophobicContact CD1-CB 4.4Å; F34-A147 HydrophobicContact CE1-CB 3.55Å; F34-A147 HydrophobicContact CZ-CB 4.43Å; F34-F159 HydrophobicContact CE1-CE1 4.43Å; F34-F159 HydrophobicContact CE1-CE2 4.19Å; F34-F159 HydrophobicContact CE1-CZ 4.12Å; F34-F159 HydrophobicContact CE2-CD1 4.4Å; F34-F159 HydrophobicContact CE2-CD2 4.43Å; F34-F159 HydrophobicContact CE2-CG 4.26Å; F34-F159 AromaticContact CZ-CD1 3.79Å; F34-F159 HydrophobicContact CZ-CD1 3.79Å; F34-F159 AromaticContact CZ-CD2 3.71Å; F34-F159 HydrophobicContact CZ-CD2 3.71Å; F34-F159 AromaticContact CZ-CE1 3.73Å; F34-F159 HydrophobicContact CZ-CE1 3.73Å; F34-F159 AromaticContact CZ-CE2 3.7Å; F34-F159 HydrophobicContact CZ-CE2 3.7Å; F34-F159 AromaticContact CZ-CG 3.79Å; F34-F159 HydrophobicContact CZ-CG 3.79Å; F34-F159 AromaticContact CZ-CZ 3.71Å; F34-F159 HydrophobicContact CZ-CZ 3.71Å
35	T	45.9	Very low	43.1	Very low	7 Å²	7	50.8 Å²	50.8	4%	0.043	28%	0.277	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-111.9	123.6	172.7	-52.3	0	0	0	0	107.2	Y37 V46 I142	T35-Y37 HydrophobicContact CG2-CD2 4.29Å; T35-Y37 HydrophobicContact CG2-CE1 4.08Å; T35-Y37 HydrophobicContact CG2-CE2 3.71Å; T35-V46 PolarHBondContact N-O 3.16Å; T35-V46 PolarHBondContact O-N 3.46Å; T35-I142 HydrophobicContact CG2-CG2 3.58Å
36	V	46.9	Very low	43.4	Very low	23 Å²	23	49.6 Å²	49.6	14%	0.139	27%	0.272	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-93.4	119.9	170.4	-174.2	0	0	0	0	107.6	F34 D43 I44 L45 T143	F34-V36 HydrophobicContact CD2-CG2 3.87Å; F34-V36 HydrophobicContact CE2-CG2 3.96Å; V36-D43 HydrophobicContact CG1-CB 3.82Å; V36-I44 CarbonylContact C-O 3.57Å; V36-I44 VanDerWaalsContact CA-O 3.3Å; V36-I44 WeakPolarHBondContact CA-O 3.42Å; V36-L45 HydrophobicContact CG2-CD1 3.78Å; V36-T143 PolarHBondContact N-O 3.07Å; V36-T143 PolarHBondContact O-N 3.42Å
37	Y	44.6	Very low	43.7	Very low	48 Å²	48	46.6 Å²	46.6	19%	0.188	26%	0.256	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-98	121.2	170.2	-61.1	-89.4	0	0	0	108.7	L16 T35 Y39 D43 I44 V46 I142	L16-Y37 WeakPolarHBondContact CD1-OH 3.45Å; T35-Y37 HydrophobicContact CG2-CD2 4.29Å; T35-Y37 HydrophobicContact CG2-CE1 4.08Å; T35-Y37 HydrophobicContact CG2-CE2 3.71Å; Y37-Y39 PolarHBondContact O-N 2.86Å; Y37-D43 CarbonylContact O-C 3.54Å; Y37-I44 PolarHBondContact N-O 3.2Å; Y37-I44 PolarHBondContact O-N 3.47Å; Y37-V46 HydrophobicContact CD2-CB 4.06Å; Y37-V46 HydrophobicContact CD2-CG2 3.5Å; Y37-V46 HydrophobicContact CE2-CB 3.63Å; Y37-V46 HydrophobicContact CE2-CG1 4.19Å; Y37-V46 HydrophobicContact CE2-CG2 3.46Å; Y37-V46 VanDerWaalsContact CE2-CG2 3.46Å; Y37-I142 HydrophobicContact CD1-CD1 3.99Å; Y37-I142 HydrophobicContact CD1-CG1 3.84Å; Y37-I142 HydrophobicContact CD1-CG2 4.04Å; Y37-I142 HydrophobicContact CE1-CD1 3.98Å; Y37-I142 HydrophobicContact CE1-CG1 4.21Å; Y37-I142 HydrophobicContact CE1-CG2 3.87Å
38	N	37.8	Very low	43.4	Very low	10 Å²	10	49.3 Å²	49.3	5%	0.053	26%	0.259	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-82.6	109.3	160.7	-175.9	-82.1	0	0	0	109	H42 D43 N137 T139 K141	N38-H42 CarbonylContact C-O 3.51Å; N38-H42 VanDerWaalsContact CA-O 3.32Å; N38-H42 WeakPolarHBondContact CA-O 3.5Å; N38-D43 PolarHBondContact ND2-OD1 3.06Å; N38-N137 WeakPolarHBondContact ND2-CB 3.05Å; N38-N137 PolarHBondContact ND2-O 2.76Å; N38-N137 VanDerWaalsContact ND2-O 3.13Å; N38-N137 PolarHBondContact OD1-O 3.29Å; N38-T139 PolarHBondContact OD1-O 2.86Å; N38-K141 WeakPolarHBondContact CB-O 3.37Å; N38-K141 PolarHBondContact N-O 3.03Å
39	Y	39.9	Very low	43.1	Very low	39 Å²	39	47.5 Å²	47.5	15%	0.153	24%	0.241	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-118.1	122.3	177.4	-173.5	-103.8	0	0	0	110.1	Y11 Y37 G41 H42 I44 Y116	Y11-Y39 HydrophobicContact CE1-CE1 4.11Å; Y11-Y39 AromaticContact CZ-CD1 3.9Å; Y11-Y39 AromaticContact CZ-CE1 3.86Å; Y11-Y39 VanDerWaalsContact OH-CD1 3.3Å; Y11-Y39 WeakPolarHBondContact OH-CD1 3.02Å; Y11-Y39 VanDerWaalsContact OH-CE1 3.29Å; Y11-Y39 WeakPolarHBondContact OH-CE1 3.07Å; Y37-Y39 PolarHBondContact O-N 2.86Å; Y39-G41 PolarHBondContact O-N 2.79Å; Y39-G41 VanDerWaalsContact O-N 3.09Å; Y39-H42 PolarHBondContact N-O 2.72Å; Y39-H42 WeakPolarHBondContact O-CB 3.49Å; Y39-H42 PolarHBondContact O-N 3.42Å; Y39-I44 HydrophobicContact CG-CD1 4.46Å; Y39-Y116 HydrophobicContact CE2-CD1 4.23Å; Y39-Y116 HydrophobicContact CE2-CE1 4.38Å
40	L	38.8	Very low	42.5	Very low	98 Å²	98	46.9 Å²	46.9	51%	0.513	24%	0.238	S	C	.	.	T	Hydrogen-bonded Turn	trans	50.1	33.2	-178.8	-59.9	177.5	0	0	0	114.1
41	G	39.9	Very low	41.9	Very low	11 Å²	11	50.5 Å²	50.5	11%	0.113	25%	0.249	C	C	.	.	T	Hydrogen-bonded Turn	trans	91.8	1.2	-179.5	0	0	0	0	0	115.5	Y39 V136 N137	Y39-G41 PolarHBondContact O-N 2.79Å; Y39-G41 VanDerWaalsContact O-N 3.09Å; G41-V136 WeakPolarHBondContact O-CA 3.47Å; G41-N137 VanDerWaalsContact CA-O 3.26Å; G41-N137 WeakPolarHBondContact CA-O 3.3Å
42	H	40.9	Very low	41.4	Very low	59 Å²	59	52.8 Å²	52.8	27%	0.273	26%	0.26	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-113.4	131.1	-178.8	-62.7	-77.4	0	0	0	111.4	N38 Y39 I44 W134	N38-H42 CarbonylContact C-O 3.51Å; N38-H42 VanDerWaalsContact CA-O 3.32Å; N38-H42 WeakPolarHBondContact CA-O 3.5Å; Y39-H42 PolarHBondContact N-O 2.72Å; Y39-H42 WeakPolarHBondContact O-CB 3.49Å; Y39-H42 PolarHBondContact O-N 3.42Å; H42-I44 PolarHBondContact O-N 2.84Å; H42-W134 HydrophobicContact CB-CZ3 4.09Å; H42-W134 AromaticContact ND1-CE3 3.87Å; H42-W134 AromaticContact ND1-CZ3 3.65Å
43	D	42.2	Very low	40.4	Very low	34 Å²	34	55.5 Å²	55.5	18%	0.182	28%	0.279	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-81.4	114.5	174.2	-62.5	-27.2	0	0	0	110.4	V36 Y37 N38 S135	V36-D43 HydrophobicContact CG1-CB 3.82Å; Y37-D43 CarbonylContact O-C 3.54Å; N38-D43 PolarHBondContact ND2-OD1 3.06Å; D43-S135 PolarHBondContact OD2-OG 2.94Å
44	I	47.6	Very low	39.5	Very low	47 Å²	47	60.6 Å²	60.6	24%	0.241	30%	0.303	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-105	119.7	178.7	-55.4	175.6	0	0	0	108.7	Y11 V36 Y37 Y39 H42 V46	Y11-I44 HydrophobicContact CD2-CD1 4.19Å; Y11-I44 HydrophobicContact CE2-CD1 3.71Å; V36-I44 CarbonylContact C-O 3.57Å; V36-I44 VanDerWaalsContact CA-O 3.3Å; V36-I44 WeakPolarHBondContact CA-O 3.42Å; Y37-I44 PolarHBondContact N-O 3.2Å; Y37-I44 PolarHBondContact O-N 3.47Å; Y39-I44 HydrophobicContact CG-CD1 4.46Å; H42-I44 PolarHBondContact O-N 2.84Å; I44-V46 HydrophobicContact CG2-CG2 4.13Å
45	L	46.3	Very low	38.3	Very low	44 Å²	44	68.3 Å²	68.3	23%	0.23	34%	0.339	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-86.6	125.3	176.4	-171.1	73	0	0	0	111	L7 F34 V36 I156	L7-L45 WeakPolarHBondContact CD1-O 3.11Å; F34-L45 HydrophobicContact CB-CD1 3.77Å; F34-L45 HydrophobicContact CB-CG 4.34Å; F34-L45 HydrophobicContact CD1-CD1 4.45Å; F34-L45 HydrophobicContact CD2-CD1 3.13Å; F34-L45 HydrophobicContact CD2-CG 4.44Å; F34-L45 HydrophobicContact CE2-CD1 3.73Å; F34-L45 HydrophobicContact CG-CD1 3.54Å; F34-L45 HydrophobicContact CG-CG 4.49Å; V36-L45 HydrophobicContact CG2-CD1 3.78Å; L45-I156 HydrophobicContact CD2-CD1 3.88Å
46	V	45.9	Very low	37.4	Very low	30 Å²	30	75.1 Å²	75.1	18%	0.182	37%	0.37	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-129.1	105.4	176.3	178.9	0	0	0	0	108.8	C19 F34 T35 Y37 I44	C19-V46 HydrophobicContact CB-CG1 4.19Å; C19-V46 VanDerWaalsContact SG-CG1 3.56Å; F34-V46 CarbonylContact C-O 3.56Å; F34-V46 WeakPolarHBondContact CA-O 3.27Å; T35-V46 PolarHBondContact N-O 3.16Å; T35-V46 PolarHBondContact O-N 3.46Å; Y37-V46 HydrophobicContact CD2-CB 4.06Å; Y37-V46 HydrophobicContact CD2-CG2 3.5Å; Y37-V46 HydrophobicContact CE2-CB 3.63Å; Y37-V46 HydrophobicContact CE2-CG1 4.19Å; Y37-V46 HydrophobicContact CE2-CG2 3.46Å; Y37-V46 VanDerWaalsContact CE2-CG2 3.46Å; I44-V46 HydrophobicContact CG2-CG2 4.13Å
47	C	43.8	Very low	36.5	Very low	7 Å²	7	78.1 Å²	78.1	5%	0.047	39%	0.392	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-79.5	128.7	171.9	158.3	0	0	0	0	110.4	F23 I32 E33 F34	F23-C47 HydrophobicContact CD1-CB 3.82Å; F23-C47 WeakPolarHBondContact CD1-SG 3.47Å; F23-C47 HydrophobicContact CD2-CB 4.49Å; F23-C47 HydrophobicContact CE1-CB 3.21Å; F23-C47 WeakPolarHBondContact CE1-SG 3.01Å; F23-C47 HydrophobicContact CE2-CB 3.95Å; F23-C47 HydrophobicContact CG-CB 4.44Å; F23-C47 HydrophobicContact CZ-CB 3.3Å; I32-C47 HydrophobicContact CG2-CB 4.11Å; I32-C47 WeakPolarHBondContact CG2-SG 2.88Å; E33-C47 WeakPolarHBondContact O-CA 3.38Å; E33-C47 PolarHBondContact O-SG 3.13Å; E33-C47 VanDerWaalsContact O-SG 3.41Å; F34-C47 HydrophobicContact CB-CB 4.01Å
48	R	39.1	Very low	35.7	Very low	107 Å²	107	80.7 Å²	80.7	40%	0.404	42%	0.417	S	S	.	.	B	Isolated β-bridge	trans	-86.4	133.6	171.4	-71	-173.6	179.2	177.4	0.9	106.6	E33 P50	E33-R48 PolarHBondContact O-N 3.22Å; E33-R48 VanDerWaalsContact O-N 3.14Å; R48-P50 VanDerWaalsContact O-CD 3.29Å; R48-P50 WeakPolarHBondContact O-CD 3.29Å
49	N	36.7	Very low	35	Very low	69 Å²	69	87.2 Å²	87.2	37%	0.369	45%	0.452	S	S	.	.			trans	-51.6	116	175.7	-146.1	17.6	0	0	0	107.2	F51	N49-F51 PolarHBondContact O-N 3.09Å; N49-F51 VanDerWaalsContact O-N 3.1Å
50	P	33.8	Very low	34.5	Very low	42 Å²	42	92.4 Å²	92.4	27%	0.273	48%	0.482	S	S	.	.			trans	-57.4	125.3	167.7	25.1	-29.8	0	0	0	104.1	V29 R48 L52	V29-P50 HydrophobicContact CG1-CB 4.26Å; V29-P50 HydrophobicContact CG1-CG 4.06Å; V29-P50 HydrophobicContact CG2-CG 4.28Å; R48-P50 VanDerWaalsContact O-CD 3.29Å; R48-P50 WeakPolarHBondContact O-CD 3.29Å; P50-L52 PolarHBondContact O-N 3.29Å; P50-L52 VanDerWaalsContact O-N 3.12Å
51	F	29.7	Very low	33.8	Very low	188 Å²	188	97.1 Å²	97.1	83%	0.825	50%	0.498	S	S	*	.			trans	-33.7	124.5	-175	-72.4	-96.8	0	0	0	109.7	N49 T53	N49-F51 PolarHBondContact O-N 3.09Å; N49-F51 VanDerWaalsContact O-N 3.1Å; F51-T53 PolarHBondContact O-N 2.94Å
52	L	27.6	Very low	33.4	Very low	122 Å²	122	104 Å²	104	64%	0.639	53%	0.532	S	S	*	.			trans	-55.2	85.4	156.2	-91	149.3	0	0	0	104.8	P50 E54 H56	P50-L52 PolarHBondContact O-N 3.29Å; P50-L52 VanDerWaalsContact O-N 3.12Å; L52-E54 PolarHBondContact O-N 3.25Å; L52-H56 HydrophobicContact CD2-CB 4.25Å
53	T	25.6	Very low	32.7	Very low	108 Å²	108	108.3 Å²	108.3	66%	0.663	56%	0.557	S	S	*	*			trans	-50.8	129.4	168.9	36.3	0	0	0	0	105	F51 H55	F51-T53 PolarHBondContact O-N 2.94Å; T53-H55 PolarHBondContact O-N 3.43Å
54	E	26	Very low	31.8	Very low	170 Å²	170	113.6 Å²	113.6	79%	0.794	59%	0.585	S	S	*	*	S	Bend	trans	-52.3	1.9	-156.8	-64.9	167.8	149	0	0	117.2	L52 H56 S57	L52-E54 PolarHBondContact O-N 3.25Å; E54-H56 VanDerWaalsContact C-N 3.25Å; E54-H56 PolarHBondContact O-N 3.45Å; E54-S57 PolarHBondContact O-N 3.49Å; E54-S57 PolarHBondContact O-OG 3.39Å
55	H	25.3	Very low	30.6	Very low	171 Å²	171	120.2 Å²	120.2	79%	0.792	61%	0.612	S	S	*	*	T	Hydrogen-bonded Turn	trans	-72.3	1.1	-179	-81.4	-68.1	0	0	0	116.6	T53	T53-H55 PolarHBondContact O-N 3.43Å
56	H	27	Very low	29.5	Very low	150 Å²	150	124.8 Å²	124.8	69%	0.694	64%	0.636	S	S	*	*	T	Hydrogen-bonded Turn	trans	-110.8	9.7	169.8	-68.8	-50.1	0	0	0	114.6	L52 E54 S58	L52-H56 HydrophobicContact CD2-CB 4.25Å; E54-H56 VanDerWaalsContact C-N 3.25Å; E54-H56 PolarHBondContact O-N 3.45Å; H56-S58 PolarHBondContact O-N 3.23Å
57	S	27.3	Very low	28.4	Very low	87 Å²	87	130 Å²	130	61%	0.608	66%	0.663	S	S	*	*	G	3₁₀ helix	trans	-73.5	-5.3	177.4	58.3	0	0	0	0	114.8	E54 N59	E54-S57 PolarHBondContact O-N 3.49Å; E54-S57 PolarHBondContact O-OG 3.39Å; S57-N59 VanDerWaalsContact C-N 3.33Å; S57-N59 PolarHBondContact O-N 3.15Å
58	S	27.8	Very low	27.4	Very low	101 Å²	101	136.6 Å²	136.6	71%	0.706	70%	0.697	S	S	*	*	G	3₁₀ helix	trans	-78.6	-4.4	-172.5	70.5	0	0	0	0	116.2	H56	H56-S58 PolarHBondContact O-N 3.23Å
59	N	24.5	Very low	26.6	Very low	147 Å²	147	139.5 Å²	139.5	79%	0.786	72%	0.719	S	S	*	*	G	3₁₀ helix	trans	-121.7	8.2	-177.5	-80.3	-16.9	0	0	0	115.5	S57 K61	S57-N59 VanDerWaalsContact C-N 3.33Å; S57-N59 PolarHBondContact O-N 3.15Å; N59-K61 PolarHBondContact O-N 2.85Å; N59-K61 VanDerWaalsContact O-N 3.14Å
60	L	28.2	Very low	25.9	Very low	149 Å²	149	145.8 Å²	145.8	78%	0.78	74%	0.739	S	S	*	*	S	Bend	trans	-80.2	96.4	167	-89.7	147.5	0	0	0	108.6
61	K	24.4	Very low	25.4	Very low	197 Å²	197	151 Å²	151	86%	0.857	77%	0.765	S	S	*	*			trans	-54.8	136.5	171.7	-78.4	-177.5	174.2	-177.7	0	110.1	N59 D63	N59-K61 PolarHBondContact O-N 2.85Å; N59-K61 VanDerWaalsContact O-N 3.14Å; K61-D63 VanDerWaalsContact C-N 3.28Å; K61-D63 PolarHBondContact O-N 2.76Å
62	N	31.4	Very low	25.1	Very low	154 Å²	154	146.5 Å²	146.5	82%	0.824	76%	0.756	S	S	*	*	T	Hydrogen-bonded Turn	trans	-68.3	21.3	-158.9	-107.9	-19.9	0	0	0	118.6
63	D	25.8	Very low	25	Very low	151 Å²	151	149.2 Å²	149.2	81%	0.807	76%	0.763	S	S	*	*	T	Hydrogen-bonded Turn	trans	-101.2	-11	-170.8	-76.9	-29.8	0	0	0	116.6	K61 K65	K61-D63 VanDerWaalsContact C-N 3.28Å; K61-D63 PolarHBondContact O-N 2.76Å; D63-K65 PolarHBondContact O-N 3.12Å
64	D	23.8	Very low	24.9	Very low	144 Å²	144	150.8 Å²	150.8	77%	0.77	77%	0.773	S	S	*	*			trans	-96.8	63.3	175.9	-68.5	-31.5	0	0	0	111.7	I66	D64-I66 HydrophobicContact CB-CG1 4.28Å; D64-I66 PolarHBondContact O-N 2.91Å
65	K	22.5	Very low	24.7	Very low	186 Å²	186	148.6 Å²	148.6	81%	0.809	77%	0.771	S	S	*	*			trans	-66	83.1	155	-84.4	-177.3	176.8	176.4	0	107.8	D63 N67	D63-K65 PolarHBondContact O-N 3.12Å; K65-N67 PolarHBondContact O-N 2.66Å
66	I	23.9	Very low	24.7	Very low	141 Å²	141	148.7 Å²	148.7	72%	0.723	78%	0.777	S	S	*	*			trans	-66.9	98.2	175.3	-60.8	173.3	0	0	0	107.8	D64 L68	D64-I66 HydrophobicContact CB-CG1 4.28Å; D64-I66 PolarHBondContact O-N 2.91Å; I66-L68 PolarHBondContact O-N 3.27Å
67	N	21.8	Very low	24.4	Very low	139 Å²	139	149.8 Å²	149.8	74%	0.743	78%	0.782	S	S	*	*			trans	-57.4	120	170.9	-77.2	-44.2	0	0	0	109.3	K65 L69	K65-N67 PolarHBondContact O-N 2.66Å; N67-L69 PolarHBondContact O-N 2.93Å
68	L	23	Very low	24.1	Very low	146 Å²	146	149.6 Å²	149.6	76%	0.764	79%	0.794	S	S	*	*			trans	-56.4	99.2	172.1	-83.6	92.3	0	0	0	110.1	I66 Y70	I66-L68 PolarHBondContact O-N 3.27Å; L68-Y70 HydrophobicContact CD2-CE2 4.29Å
69	L	22.3	Very low	23.7	Very low	168 Å²	168	148.2 Å²	148.2	88%	0.88	80%	0.795	S	S	*	*			trans	-94.3	100.2	168.3	-85.7	157.9	0	0	0	109.1	N67 D71	N67-L69 PolarHBondContact O-N 2.93Å; L69-D71 PolarHBondContact O-N 3.14Å
70	Y	21.7	Very low	23.6	Very low	200 Å²	200	152.7 Å²	152.7	78%	0.784	80%	0.801	S	S	*	*			trans	-67.6	116.8	159.9	-86.2	-97.3	0	0	0	108.4	L68 S72	L68-Y70 HydrophobicContact CD2-CE2 4.29Å; Y70-S72 PolarHBondContact O-N 2.98Å
71	D	22.9	Very low	23.4	Very low	153 Å²	153	154.7 Å²	154.7	82%	0.818	81%	0.806	S	S	*	*			trans	-94.1	87.3	161.1	-150.9	-10.6	0	0	0	109.4	L69 K73	L69-D71 PolarHBondContact O-N 3.14Å; D71-K73 PolarHBondContact O-N 3.41Å; D71-K73 VanDerWaalsContact O-N 3.15Å
72	S	24.9	Very low	23.3	Very low	92 Å²	92	153.3 Å²	153.3	64%	0.643	80%	0.803	S	S	*	*			trans	-72.3	89.3	166.6	51.4	0	0	0	0	108.9	Y70	Y70-S72 PolarHBondContact O-N 2.98Å
73	K	24.2	Very low	22.8	Very low	180 Å²	180	151.7 Å²	151.7	78%	0.783	80%	0.798	S	S	*	*			trans	174.7	96.3	153.8	-95.8	152.7	-169.3	-171.7	0	110.3	D71	D71-K73 PolarHBondContact O-N 3.41Å; D71-K73 VanDerWaalsContact O-N 3.15Å
74	T	25.2	Very low	22.7	Very low	141 Å²	141	150.9 Å²	150.9	87%	0.865	80%	0.799	S	S	*	*			trans	-154.2	94.8	145.4	22.9	0	0	0	0	108	L76	T74-L76 PolarHBondContact O-N 2.73Å
75	T	21.1	Very low	22.6	Very low	124 Å²	124	147.5 Å²	147.5	76%	0.761	80%	0.799	S	S	*	*			trans	-58.2	113.2	171.7	-39.9	0	0	0	0	108.5	E77	T75-E77 HydrophobicContact CG2-CG 4.31Å; T75-E77 PolarHBondContact O-N 2.79Å
76	L	24.7	Very low	22.5	Very low	173 Å²	173	146.4 Å²	146.4	91%	0.906	80%	0.797	S	S	*	*			trans	-79.6	76.2	176.1	-119.6	146.5	0	0	0	107.8	T74	T74-L76 PolarHBondContact O-N 2.73Å
77	E	21.2	Very low	22.4	Very low	173 Å²	173	145.3 Å²	145.3	81%	0.808	80%	0.798	S	S	*	*			trans	-80.7	144.3	162.3	-76	-160.5	156.2	0	0	110	T75	T75-E77 HydrophobicContact CG2-CG 4.31Å; T75-E77 PolarHBondContact O-N 2.79Å
78	G	20.3	Very low	22.4	Very low	83 Å²	83	149 Å²	149	86%	0.856	80%	0.803	S	S	*	*			trans	-75.9	178.1	-161.8	0	0	0	0	0	115.7
79	G	20.5	Very low	22.3	Very low	71 Å²	71	150 Å²	150	73%	0.732	81%	0.81	S	S	*	*			trans	-173.9	79.5	173.2	0	0	0	0	0	111.6	H81	G79-H81 PolarHBondContact O-N 3.49Å
80	R	21.2	Very low	22.4	Very low	242 Å²	242	150.3 Å²	150.3	91%	0.913	80%	0.8	S	S	*	*			trans	-53.1	123.9	160.5	-79.4	176.1	168.6	178.4	-4.2	108.6
81	H	24.6	Very low	22.3	Very low	191 Å²	191	149.5 Å²	149.5	88%	0.884	80%	0.801	S	S	*	*			trans	-139.7	106.6	154.8	-98.8	-68.9	0	0	0	110.7	G79	G79-H81 PolarHBondContact O-N 3.49Å
82	E	21.8	Very low	22.5	Very low	167 Å²	167	147.3 Å²	147.3	78%	0.78	80%	0.795	S	S	*	*			trans	-70.7	163.9	160.4	-66.8	176.2	138.5	0	0	110.9
83	T	22.3	Very low	22.3	Very low	120 Å²	120	150.2 Å²	150.2	74%	0.736	80%	0.799	S	S	*	*			trans	81.4	131.6	151.8	50.9	0	0	0	0	122.5
84	T	22.1	Very low	22.2	Very low	134 Å²	134	151.6 Å²	151.6	82%	0.822	80%	0.804	S	S	*	*			trans	76.9	125.9	143	41.2	0	0	0	0	119.8
85	G	21.9	Very low	22.1	Very low	74 Å²	74	150.1 Å²	150.1	76%	0.763	80%	0.795	S	S	*	*			trans	-74.1	146.7	-178.6	0	0	0	0	0	114.1
86	Q	20.5	Very low	22.1	Very low	163 Å²	163	152.7 Å²	152.7	76%	0.762	80%	0.798	S	S	*	*				-146.2	148.8	127.7	-80.6	-141.4	-20.8	0	0	107.9	Y88	Q86-Y88 PolarHBondContact O-N 3.14Å
87	P	22.3	Very low	22	Very low	117 Å²	117	149 Å²	149	76%	0.76	79%	0.785	S	S	*	*			trans	-70.2	102	171.6	28.8	-29.9	0	0	0	108.5	D89	P87-D89 PolarHBondContact O-N 3.07Å
88	Y	21.4	Very low	22	Very low	216 Å²	216	144.5 Å²	144.5	85%	0.847	77%	0.773	S	S	*	*			trans	-66	120.2	168.8	-86	-92.5	0	0	0	109.2	Q86 Y90	Q86-Y88 PolarHBondContact O-N 3.14Å; Y88-Y90 PolarHBondContact O-N 3.02Å
89	D	20.4	Very low	22.2	Very low	169 Å²	169	146 Å²	146	90%	0.904	77%	0.768	S	S	*	*			trans	-71.3	81.2	169.7	-120.9	-8.5	0	0	0	108.4	P87 K91	P87-D89 PolarHBondContact O-N 3.07Å; D89-K91 PolarHBondContact O-N 2.73Å; D89-K91 VanDerWaalsContact O-N 3.12Å
90	Y	25.8	Very low	22.4	Very low	173 Å²	173	150 Å²	150	68%	0.678	77%	0.767	S	S	*	*			trans	-74.9	102.6	178.1	-175.3	-102.9	0	0	0	109.3	Y88 P92	Y88-Y90 PolarHBondContact O-N 3.02Å; Y90-P92 HydrophobicContact CE1-CB 4.46Å; Y90-P92 WeakPolarHBondContact O-CD 3.33Å
91	K	19.9	Very low	22.4	Very low	183 Å²	183	147.2 Å²	147.2	80%	0.796	76%	0.762	S	S	*	*			trans	-71.6	120.5	163	-74.5	-175.7	177.7	178.3	0	107.8	D89 Q93	D89-K91 PolarHBondContact O-N 2.73Å; D89-K91 VanDerWaalsContact O-N 3.12Å; K91-Q93 PolarHBondContact O-N 2.96Å
92	P	25.2	Very low	22.3	Very low	107 Å²	107	143.1 Å²	143.1	70%	0.695	75%	0.754	S	S	*	*			trans	-58.5	110.5	176.8	21.8	-30.2	0	0	0	108.9	Y90 K94	Y90-P92 HydrophobicContact CE1-CB 4.46Å; Y90-P92 WeakPolarHBondContact O-CD 3.33Å; P92-K94 PolarHBondContact O-N 3.25Å; P92-K94 VanDerWaalsContact O-N 3.16Å
93	Q	21.7	Very low	22.4	Very low	154 Å²	154	143 Å²	143	72%	0.72	75%	0.753	S	S	*	*			trans	-59.7	121.8	163.5	-81.7	-174.5	-2.2	0	0	105.9	K91 V95	K91-Q93 PolarHBondContact O-N 2.96Å; Q93-V95 PolarHBondContact O-N 2.95Å
94	K	21.9	Very low	22.7	Very low	208 Å²	208	145.6 Å²	145.6	90%	0.904	76%	0.756	S	S	*	*			trans	-60.5	91.3	166.3	-74.4	-177.9	176.9	-178.6	0	106.2	P92 H96	P92-K94 PolarHBondContact O-N 3.25Å; P92-K94 VanDerWaalsContact O-N 3.16Å; K94-H96 VanDerWaalsContact C-N 3.35Å; K94-H96 PolarHBondContact O-N 3.26Å
95	V	23.6	Very low	22.7	Very low	110 Å²	110	142.3 Å²	142.3	67%	0.667	74%	0.743	S	S	*	*			trans	-67.3	106.1	169.2	-169.8	0	0	0	0	104.2	Q93 C97	Q93-V95 PolarHBondContact O-N 2.95Å; V95-C97 PolarHBondContact O-N 3.01Å
96	H	21.1	Very low	22.8	Very low	178 Å²	178	147.8 Å²	147.8	82%	0.824	75%	0.748	S	S	*	*			trans	-62.2	95.3	165	-109.7	-49	0	0	0	105.8	K94 S98	K94-H96 VanDerWaalsContact C-N 3.35Å; K94-H96 PolarHBondContact O-N 3.26Å; H96-S98 PolarHBondContact O-N 3.43Å
97	C	23.2	Very low	22.9	Very low	95 Å²	95	144.1 Å²	144.1	64%	0.642	73%	0.73	S	S	*	*			trans	-64.5	86.2	166.8	-69.4	0	0	0	0	107.1	V95	V95-C97 PolarHBondContact O-N 3.01Å
98	S	20.5	Very low	22.9	Very low	79 Å²	79	144.8 Å²	144.8	55%	0.552	72%	0.723	S	S	*	*			trans	-66.2	136.8	161.7	-73	0	0	0	0	107.3	H96 H100	H96-S98 PolarHBondContact O-N 3.43Å; S98-H100 PolarHBondContact O-N 3.49Å
99	P	25	Very low	23.1	Very low	115 Å²	115	140.2 Å²	140.2	75%	0.747	72%	0.72	S	S	*	*	T	Hydrogen-bonded Turn	trans	-69.5	16.3	-165.1	26.4	-34.7	0	0	0	115.7
100	H	23.3	Very low	23.3	Very low	154 Å²	154	136.5 Å²	136.5	71%	0.713	71%	0.707	S	S	*	*	T	Hydrogen-bonded Turn	trans	-101.6	1.6	-170.1	-69.8	-51.2	0	0	0	116.2	S98	S98-H100 PolarHBondContact O-N 3.49Å
101	F	21.8	Very low	23.1	Very low	185 Å²	185	137.1 Å²	137.1	81%	0.811	71%	0.713	S	S	*	*			trans	-106.4	56.4	176.6	-75.3	-82.2	0	0	0	112.8
102	C	23	Very low	23.3	Very low	104 Å²	104	131.4 Å²	131.4	70%	0.703	70%	0.695	S	S	*	*			trans	-95	67.5	156.6	-84.1	0	0	0	0	108.9	H104	C102-H104 PolarHBondContact O-CD2 3.43Å; C102-H104 PolarHBondContact O-N 2.8Å
103	H	23.6	Very low	23.2	Very low	166 Å²	166	132.4 Å²	132.4	77%	0.769	70%	0.7	S	S	*	*			trans	-87.7	104	170.4	-93.9	-78.2	0	0	0	109.6	A105	H103-A105 PolarHBondContact O-N 3.2Å
104	H	28.9	Very low	23.3	Very low	173 Å²	173	129.2 Å²	129.2	80%	0.801	68%	0.684	S	S	*	*			trans	-66.6	86.5	178.9	-65	-83.6	0	0	0	112.1	C102 Q106	C102-H104 PolarHBondContact O-CD2 3.43Å; C102-H104 PolarHBondContact O-N 2.8Å; H104-Q106 PolarHBondContact O-N 2.95Å
105	A	22	Very low	23.4	Very low	66 Å²	66	125.9 Å²	125.9	55%	0.545	68%	0.681	S	S	.	*			trans	-77.7	112.9	168.4	0	0	0	0	0	109.9	H103 F107	H103-A105 PolarHBondContact O-N 3.2Å; A105-F107 WeakPolarHBondContact O-CD2 3.49Å; A105-F107 PolarHBondContact O-N 2.94Å
106	Q	23.6	Very low	23.7	Very low	188 Å²	188	127.4 Å²	127.4	88%	0.879	68%	0.675	S	S	*	*			trans	-67.6	111.6	166.4	-73.3	178.1	-23.8	0	0	108.5	H104 H108	H104-Q106 PolarHBondContact O-N 2.95Å; Q106-H108 PolarHBondContact O-N 3.1Å
107	F	22.4	Very low	23.8	Very low	87 Å²	87	121.8 Å²	121.8	38%	0.382	66%	0.655	S	S	.	*			trans	-70.4	110.1	-178.7	-86.7	-108.8	0	0	0	110.8	F15 P17 A105 F114	F15-F107 WeakPolarHBondContact O-CE1 3.22Å; P17-F107 HydrophobicContact CB-CD2 4.47Å; P17-F107 HydrophobicContact CG-CB 4.23Å; P17-F107 HydrophobicContact CG-CD2 3.66Å; P17-F107 HydrophobicContact CG-CE2 4.44Å; P17-F107 HydrophobicContact CG-CG 4.31Å; A105-F107 WeakPolarHBondContact O-CD2 3.49Å; A105-F107 PolarHBondContact O-N 2.94Å; F107-F114 HydrophobicContact CE1-CE1 4.45Å; F107-F114 HydrophobicContact CE1-CZ 4.02Å
108	H	23.1	Very low	23.9	Very low	131 Å²	131	127.6 Å²	127.6	61%	0.606	67%	0.669	S	S	*	*			trans	-89.4	115.9	165.3	-155	-81.5	0	0	0	108.7	Q106 S110 K111	Q106-H108 PolarHBondContact O-N 3.1Å; H108-S110 PolarHBondContact CE1-OG 3.06Å; H108-S110 PolarHBondContact ND1-OG 3.3Å; H108-S110 PolarHBondContact O-N 2.9Å; H108-K111 PolarHBondContact O-N 3.04Å
109	P	25.2	Very low	24.2	Very low	120 Å²	120	126.9 Å²	126.9	78%	0.779	66%	0.659	S	S	*	*	T	Hydrogen-bonded Turn	trans	-64	-16.2	-168	21.1	-31.3	0	0	0	114.8
110	S	23.8	Very low	24.2	Very low	90 Å²	90	131.1 Å²	131.1	63%	0.629	67%	0.665	S	S	*	*	T	Hydrogen-bonded Turn	trans	-85.7	-3.7	-175.6	60.1	0	0	0	0	115.9	H108	H108-S110 PolarHBondContact CE1-OG 3.06Å; H108-S110 PolarHBondContact ND1-OG 3.3Å; H108-S110 PolarHBondContact O-N 2.9Å
111	K	23.5	Very low	24.5	Very low	186 Å²	186	127 Å²	127	81%	0.809	65%	0.65	S	S	*	*	S	Bend	trans	-118.7	-0.4	-177.6	-68.5	-168.4	178.6	-176.7	0	115.7	H108 T113	H108-K111 PolarHBondContact O-N 3.04Å; K111-T113 PolarHBondContact O-N 3.33Å
112	C	23.4	Very low	24.6	Very low	63 Å²	63	123.1 Å²	123.1	43%	0.426	64%	0.638	S	S	.	*			trans	-93.5	89.4	175.8	-90.4	0	0	0	0	111.5	F114	C112-F114 VanDerWaalsContact C-N 3.34Å; C112-F114 HydrophobicContact CB-CD2 3.88Å; C112-F114 HydrophobicContact CB-CE2 3.58Å; C112-F114 HydrophobicContact CB-CZ 4.02Å; C112-F114 PolarHBondContact O-N 2.68Å
113	T	22.1	Very low	24.7	Very low	129 Å²	129	121.7 Å²	121.7	79%	0.791	63%	0.626	S	S	*	*			trans	-73.1	95.1	147.5	26.7	0	0	0	0	107.5	K111 V115	K111-T113 PolarHBondContact O-N 3.33Å; T113-V115 PolarHBondContact O-N 3.39Å; T113-V115 VanDerWaalsContact O-N 3.09Å
114	F	24.9	Very low	24.7	Very low	86 Å²	86	121.7 Å²	121.7	38%	0.377	63%	0.626	S	S	.	*			trans	-64.5	107	174.4	-76.5	-82.2	0	0	0	109.7	F15 F107 C112 Y116	F15-F114 HydrophobicContact CD1-CD1 4.12Å; F15-F114 AromaticContact CD1-CE1 3.57Å; F15-F114 HydrophobicContact CD1-CE1 3.57Å; F15-F114 HydrophobicContact CD1-CZ 4.22Å; F15-F114 HydrophobicContact CE1-CD1 4.16Å; F15-F114 HydrophobicContact CE1-CE1 4.04Å; F107-F114 HydrophobicContact CE1-CE1 4.45Å; F107-F114 HydrophobicContact CE1-CZ 4.02Å; C112-F114 VanDerWaalsContact C-N 3.34Å; C112-F114 HydrophobicContact CB-CD2 3.88Å; C112-F114 HydrophobicContact CB-CE2 3.58Å; C112-F114 HydrophobicContact CB-CZ 4.02Å; C112-F114 PolarHBondContact O-N 2.68Å; F114-Y116 VanDerWaalsContact C-N 3.32Å; F114-Y116 HydrophobicContact CB-CD1 4.39Å; F114-Y116 HydrophobicContact CB-CD2 4.32Å; F114-Y116 HydrophobicContact CB-CE1 4.07Å; F114-Y116 HydrophobicContact CB-CE2 3.99Å; F114-Y116 VanDerWaalsContact O-CD2 3.31Å; F114-Y116 WeakPolarHBondContact O-CD2 3.44Å; F114-Y116 PolarHBondContact O-N 3.18Å
115	V	24	Very low	24.5	Very low	139 Å²	139	119.6 Å²	119.6	84%	0.842	62%	0.621	S	S	*	*			trans	-82.1	88	161.9	-174.2	0	0	0	0	106.2	T113 P117	T113-V115 PolarHBondContact O-N 3.39Å; T113-V115 VanDerWaalsContact O-N 3.09Å; V115-P117 WeakPolarHBondContact O-CD 2.93Å
116	Y	28.9	Very low	24.7	Very low	141 Å²	141	118.8 Å²	118.8	55%	0.553	61%	0.608	S	S	*	*			trans	-56.8	119.7	-175.1	-62.9	-86.7	0	0	0	111.9	Y39 F114 K118	Y39-Y116 HydrophobicContact CE2-CD1 4.23Å; Y39-Y116 HydrophobicContact CE2-CE1 4.38Å; F114-Y116 VanDerWaalsContact C-N 3.32Å; F114-Y116 HydrophobicContact CB-CD1 4.39Å; F114-Y116 HydrophobicContact CB-CD2 4.32Å; F114-Y116 HydrophobicContact CB-CE1 4.07Å; F114-Y116 HydrophobicContact CB-CE2 3.99Å; F114-Y116 VanDerWaalsContact O-CD2 3.31Å; F114-Y116 WeakPolarHBondContact O-CD2 3.44Å; F114-Y116 PolarHBondContact O-N 3.18Å; Y116-K118 PolarHBondContact O-N 2.89Å
117	P	23.9	Very low	24.9	Very low	61 Å²	61	118 Å²	118	40%	0.396	60%	0.603	S	S	.	*			trans	-66.9	132.9	166.8	24.4	-28.5	0	0	0	109.9	V115 I119	V115-P117 WeakPolarHBondContact O-CD 2.93Å; P117-I119 VanDerWaalsContact C-N 3.29Å; P117-I119 HydrophobicContact CB-CG1 4.48Å; P117-I119 HydrophobicContact CG-CD1 4.33Å; P117-I119 HydrophobicContact CG-CG1 4.43Å; P117-I119 PolarHBondContact O-N 3.2Å
118	K	24.7	Very low	25	Very low	216 Å²	216	117.6 Å²	117.6	94%	0.939	61%	0.608	S	S	*	*			trans	-68.4	83.1	173.8	-75.6	-179	178.6	174.6	0	109.8	Y116 K120	Y116-K118 PolarHBondContact O-N 2.89Å; K118-K120 PolarHBondContact O-N 3.34Å
119	I	27.8	Very low	25.1	Very low	65 Å²	65	116.6 Å²	116.6	33%	0.333	60%	0.6	S	S	.	*			trans	-77.5	119.9	176.7	-63.9	168.2	0	0	0	109.1	Y11 P117	Y11-I119 HydrophobicContact CD1-CD1 3.6Å; Y11-I119 HydrophobicContact CE1-CB 4.21Å; Y11-I119 HydrophobicContact CE1-CD1 3.56Å; Y11-I119 HydrophobicContact CE1-CG1 4.47Å; Y11-I119 HydrophobicContact CE1-CG2 4.09Å; P117-I119 VanDerWaalsContact C-N 3.29Å; P117-I119 HydrophobicContact CB-CG1 4.48Å; P117-I119 HydrophobicContact CG-CD1 4.33Å; P117-I119 HydrophobicContact CG-CG1 4.43Å; P117-I119 PolarHBondContact O-N 3.2Å
120	K	25	Very low	25.2	Very low	204 Å²	204	117.1 Å²	117.1	89%	0.887	60%	0.603	S	S	*	*			trans	-83.3	115.7	168.8	-90	-174.5	176.4	-179.7	0	109.4	K118	K118-K120 PolarHBondContact O-N 3.34Å
121	V	28.4	Very low	25.3	Very low	66 Å²	66	115.2 Å²	115.2	40%	0.4	60%	0.598	S	S	.	*			trans	-89.3	124.3	177.7	-175.8	0	0	0	0	109.2	V123	V121-V123 HydrophobicContact CG1-CG2 4.19Å; V121-V123 PolarHBondContact O-N 2.98Å
122	N	25	Very low	25.5	Very low	105 Å²	105	109.1 Å²	109.1	56%	0.561	57%	0.574	S	S	*	*			trans	-88	103.8	166.2	-161.5	-4.6	0	0	0	108.7	K9 E124	K9-N122 PolarHBondContact NZ-O 3.13Å; N122-E124 VanDerWaalsContact C-N 3.28Å; N122-E124 PolarHBondContact O-N 3.05Å
123	V	25.4	Very low	25.8	Very low	73 Å²	73	114.2 Å²	114.2	44%	0.442	59%	0.589	S	S	.	*	G	3₁₀ helix	trans	-73.5	-17.8	-167.8	-177.8	0	0	0	0	112.6	V121 N125 L126	V121-V123 HydrophobicContact CG1-CG2 4.19Å; V121-V123 PolarHBondContact O-N 2.98Å; V123-N125 VanDerWaalsContact C-N 3.31Å; V123-N125 PolarHBondContact O-N 2.64Å; V123-L126 HydrophobicContact CG1-CD1 4.15Å
124	E	23.5	Very low	26.3	Very low	166 Å²	166	113.8 Å²	113.8	78%	0.776	57%	0.573	S	S	*	*	G	3₁₀ helix	trans	-66.6	-24	-167.6	-63.6	-177.8	163.8	0	0	115	N122	N122-E124 VanDerWaalsContact C-N 3.28Å; N122-E124 PolarHBondContact O-N 3.05Å
125	N	23.9	Very low	26.7	Very low	129 Å²	129	111.3 Å²	111.3	69%	0.69	57%	0.566	S	S	*	*	G	3₁₀ helix	trans	-102	35.9	-176.6	-68	-15.6	0	0	0	114.6	V123	V123-N125 VanDerWaalsContact C-N 3.31Å; V123-N125 PolarHBondContact O-N 2.64Å
126	L	27.2	Very low	27.1	Very low	50 Å²	50	110 Å²	110	26%	0.262	56%	0.558	S	S	.	*			trans	-92.1	114.2	172.5	-81.7	154.4	0	0	0	109.7	K9 V123 V128 W134	K9-L126 HydrophobicContact CB-CD2 4.41Å; K9-L126 HydrophobicContact CD-CD2 4.32Å; K9-L126 HydrophobicContact CD-CG 4.35Å; V123-L126 HydrophobicContact CG1-CD1 4.15Å; L126-V128 PolarHBondContact O-N 3.03Å; L126-W134 HydrophobicContact CB-CZ2 4.42Å; L126-W134 HydrophobicContact CD1-CH2 3.6Å; L126-W134 HydrophobicContact CD1-CZ2 3.57Å; L126-W134 HydrophobicContact CD1-CZ3 4.39Å; L126-W134 HydrophobicContact CD2-CH2 4.04Å; L126-W134 HydrophobicContact CD2-CZ2 3.74Å; L126-W134 HydrophobicContact CG-CH2 4.42Å; L126-W134 HydrophobicContact CG-CZ2 4.09Å
127	H	26.1	Very low	27.5	Very low	170 Å²	170	104.4 Å²	104.4	79%	0.787	54%	0.538	S	S	*	.			trans	-67.8	100.8	165.7	-93.9	-139.4	0	0	0	108.7	Y129	H127-Y129 PolarHBondContact O-N 2.98Å
128	V	25	Very low	28.2	Very low	80 Å²	80	110.9 Å²	110.9	49%	0.485	56%	0.56	S	S	.	*			trans	-72.5	112.6	169.4	-176	0	0	0	0	106.9	L126 L132	L126-V128 PolarHBondContact O-N 3.03Å; V128-L132 WeakPolarHBondContact CG1-O 3.19Å
129	Y	26.3	Very low	28.8	Very low	109 Å²	109	105.1 Å²	105.1	43%	0.427	54%	0.543	S	S	.	.			trans	-59.9	136.4	167.9	-89	-91.6	0	0	0	108.8	F5 H127 G131 L132	F5-Y129 HydrophobicContact CD1-CD2 4.41Å; F5-Y129 AromaticContact CD1-CE2 3.89Å; F5-Y129 HydrophobicContact CD1-CE2 3.89Å; F5-Y129 AromaticContact CD1-CZ 3.93Å; F5-Y129 HydrophobicContact CE1-CD1 4.46Å; F5-Y129 HydrophobicContact CE1-CD2 4.43Å; F5-Y129 HydrophobicContact CE1-CE1 4.26Å; F5-Y129 HydrophobicContact CE1-CE2 4.23Å; H127-Y129 PolarHBondContact O-N 2.98Å; Y129-G131 PolarHBondContact O-N 3.07Å; Y129-G131 VanDerWaalsContact O-N 3.07Å; Y129-L132 PolarHBondContact O-N 2.94Å
130	P	25.9	Very low	29.3	Very low	131 Å²	131	108.6 Å²	108.6	85%	0.851	56%	0.558	S	S	*	*	T	Hydrogen-bonded Turn	trans	-52.1	120.3	172.1	-23.3	32.2	0	0	0	109.8
131	G	25.4	Very low	30.3	Very low	51 Å²	51	104.6 Å²	104.6	53%	0.526	54%	0.54	S	S	.	.	T	Hydrogen-bonded Turn	trans	101.9	-6.9	-178.4	0	0	0	0	0	115.8	Y129 T157	Y129-G131 PolarHBondContact O-N 3.07Å; Y129-G131 VanDerWaalsContact O-N 3.07Å; G131-T157 WeakPolarHBondContact O-CG2 3.46Å
132	L	29.2	Very low	30.9	Very low	57 Å²	57	107.2 Å²	107.2	30%	0.298	55%	0.551	S	S	.	*			trans	-95	113	168.2	-62.8	-177.2	0	0	0	109.8	V128 Y129 I156	V128-L132 WeakPolarHBondContact CG1-O 3.19Å; Y129-L132 PolarHBondContact O-N 2.94Å; L132-I156 HydrophobicContact CD2-CB 3.64Å; L132-I156 HydrophobicContact CD2-CD1 4.45Å; L132-I156 HydrophobicContact CD2-CG1 4.44Å; L132-I156 HydrophobicContact CD2-CG2 4.44Å
133	K	28.9	Very low	31.7	Very low	171 Å²	171	104 Å²	104	74%	0.743	54%	0.535	S	S	*	.			trans	-97.8	127	168.5	-73.6	-173.6	178.4	-179.2	0	108.8	T157 I160	K133-T157 HydrophobicContact CB-CG2 4.34Å; K133-I160 WeakPolarHBondContact O-CD1 3.48Å
134	W	33.2	Very low	32.4	Very low	120 Å²	120	107.6 Å²	107.6	46%	0.455	54%	0.541	S	S	.	.			trans	-66	131.1	167	-71	70.3	0	0	0	108.6	H42 L126	H42-W134 HydrophobicContact CB-CZ3 4.09Å; H42-W134 AromaticContact ND1-CE3 3.87Å; H42-W134 AromaticContact ND1-CZ3 3.65Å; L126-W134 HydrophobicContact CB-CZ2 4.42Å; L126-W134 HydrophobicContact CD1-CH2 3.6Å; L126-W134 HydrophobicContact CD1-CZ2 3.57Å; L126-W134 HydrophobicContact CD1-CZ3 4.39Å; L126-W134 HydrophobicContact CD2-CH2 4.04Å; L126-W134 HydrophobicContact CD2-CZ2 3.74Å; L126-W134 HydrophobicContact CG-CH2 4.42Å; L126-W134 HydrophobicContact CG-CZ2 4.09Å
135	S	33.1	Very low	33.3	Very low	34 Å²	34	101.8 Å²	101.8	24%	0.238	51%	0.513	C	S	.	.			trans	-107.1	128.8	164.5	88	0	0	0	0	108.3	D43 N137 I160	D43-S135 PolarHBondContact OD2-OG 2.94Å; S135-N137 PolarHBondContact O-N 3.46Å; S135-I160 WeakPolarHBondContact OG-CG2 3.29Å
136	V	31.8	Very low	34.1	Very low	112 Å²	112	98.8 Å²	98.8	68%	0.679	50%	0.5	S	S	*	.			trans	-83.7	91.6	172	-179.6	0	0	0	0	106.5	G41	G41-V136 WeakPolarHBondContact O-CA 3.47Å
137	N	37.3	Very low	34.7	Very low	22 Å²	22	97.2 Å²	97.2	12%	0.118	49%	0.494	C	S	.	.			trans	-85.4	114.8	171.6	177.9	1.3	0	0	0	108.5	N38 G41 S135 T139	N38-N137 WeakPolarHBondContact ND2-CB 3.05Å; N38-N137 PolarHBondContact ND2-O 2.76Å; N38-N137 VanDerWaalsContact ND2-O 3.13Å; N38-N137 PolarHBondContact OD1-O 3.29Å; G41-N137 VanDerWaalsContact CA-O 3.26Å; G41-N137 WeakPolarHBondContact CA-O 3.3Å; S135-N137 PolarHBondContact O-N 3.46Å; N137-T139 PolarHBondContact O-N 3.16Å; N137-T139 VanDerWaalsContact O-N 3.13Å; N137-T139 WeakPolarHBondContact OD1-CB 3.14Å; N137-T139 PolarHBondContact OD1-N 3.25Å; N137-T139 PolarHBondContact OD1-OG1 2.65Å
138	K	38.9	Very low	35.2	Very low	197 Å²	197	93.7 Å²	93.7	86%	0.857	48%	0.484	S	S	*	.	S	Bend	trans	-67.4	-8.6	-179.1	-65.4	-178.2	179.7	178	0	113.6
139	T	36.6	Very low	35.7	Very low	95 Å²	95	96.6 Å²	96.6	58%	0.583	49%	0.487	S	S	*	.	S	Bend	trans	-108.5	118.1	-174	-34	0	0	0	0	110	N38 N137 K141	N38-T139 PolarHBondContact OD1-O 2.86Å; N137-T139 PolarHBondContact O-N 3.16Å; N137-T139 VanDerWaalsContact O-N 3.13Å; N137-T139 WeakPolarHBondContact OD1-CB 3.14Å; N137-T139 PolarHBondContact OD1-N 3.25Å; N137-T139 PolarHBondContact OD1-OG1 2.65Å; T139-K141 PolarHBondContact O-N 3.12Å; T139-K141 VanDerWaalsContact O-N 3.11Å
140	Q	38.9	Very low	36	Very low	139 Å²	139	94 Å²	94	65%	0.65	49%	0.485	S	S	*	.			trans	-61.5	115.2	170.6	-67.2	-179.3	3.5	0	0	109
141	K	45.5	Very low	36.4	Very low	120 Å²	120	94.7 Å²	94.7	52%	0.522	49%	0.486	S	S	.	.			trans	-142.6	134.1	-179.5	-171.9	178.6	178	-179.4	0	108.8	N38 T139 T143	N38-K141 WeakPolarHBondContact CB-O 3.37Å; N38-K141 PolarHBondContact N-O 3.03Å; T139-K141 PolarHBondContact O-N 3.12Å; T139-K141 VanDerWaalsContact O-N 3.11Å; K141-T143 WeakPolarHBondContact CE-OG1 3.15Å
142	I	41	Very low	36.6	Very low	121 Å²	121	97.8 Å²	97.8	62%	0.621	49%	0.491	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-98.5	118.2	168.1	-55.1	177.6	0	0	0	106.3	T35 Y37	T35-I142 HydrophobicContact CG2-CG2 3.58Å; Y37-I142 HydrophobicContact CD1-CD1 3.99Å; Y37-I142 HydrophobicContact CD1-CG1 3.84Å; Y37-I142 HydrophobicContact CD1-CG2 4.04Å; Y37-I142 HydrophobicContact CE1-CD1 3.98Å; Y37-I142 HydrophobicContact CE1-CG1 4.21Å; Y37-I142 HydrophobicContact CE1-CG2 3.87Å
143	T	42.1	Very low	36.6	Very low	38 Å²	38	101.7 Å²	101.7	23%	0.233	52%	0.517	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-121.1	120.8	177.3	-46.6	0	0	0	0	108.9	V36 K141 Q145	V36-T143 PolarHBondContact N-O 3.07Å; V36-T143 PolarHBondContact O-N 3.42Å; K141-T143 WeakPolarHBondContact CE-OG1 3.15Å; T143-Q145 HydrophobicContact CG2-CG 4.03Å
144	R	40.8	Very low	36.7	Very low	148 Å²	148	96.1 Å²	96.1	56%	0.558	50%	0.495	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-84.6	132	171.1	-169.9	178.9	-176.4	-178.2	1	108.6	E33	E33-R144 VanDerWaalsContact CD-NH2 3.32Å; E33-R144 IonicContact OE1-CZ 3.92Å; E33-R144 IonicContact OE1-NH2 3.27Å; E33-R144 PolarHBondContact OE1-NH2 3.17Å; E33-R144 IonicContact OE2-CZ 3.6Å; E33-R144 IonicContact OE2-NE 3.77Å; E33-R144 IonicContact OE2-NH2 2.66Å; E33-R144 PolarHBondContact OE2-NH2 3.21Å
145	Q	43.3	Very low	36.5	Very low	43 Å²	43	93.5 Å²	93.5	20%	0.201	49%	0.493	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-139.7	151.4	178.5	-67	-175.3	-2.8	0	0	109.9	F34 T143 F159	F34-Q145 CarbonylContact C-O 3.58Å; F34-Q145 HydrophobicContact CD2-CB 4.07Å; F34-Q145 HydrophobicContact CE2-CB 3.45Å; F34-Q145 VanDerWaalsContact CE2-CB 3.45Å; F34-Q145 HydrophobicContact CE2-CG 4.43Å; F34-Q145 HydrophobicContact CZ-CB 3.81Å; F34-Q145 PolarHBondContact N-O 2.95Å; F34-Q145 PolarHBondContact O-N 3.01Å; T143-Q145 HydrophobicContact CG2-CG 4.03Å; Q145-F159 HydrophobicContact CB-CD1 4.38Å; Q145-F159 PolarHBondContact NE2-O 2.88Å; Q145-F159 VanDerWaalsContact NE2-O 3.09Å
146	T	38.7	Very low	36.5	Very low	66 Å²	66	94.3 Å²	94.3	41%	0.405	49%	0.494	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-118.5	121.8	179.7	-55.4	0	0	0	0	107.5	N31 E33	N31-T146 HydrophobicContact CB-CG2 4.28Å; E33-T146 HydrophobicContact CG-CG2 4.22Å
147	A	41.7	Very low	36.4	Very low	17 Å²	17	91.3 Å²	91.3	14%	0.14	48%	0.476	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-87.1	125.7	164.9	0	0	0	0	0	108.6	I32 F34 I154 F159	I32-A147 PolarHBondContact N-O 2.8Å; I32-A147 PolarHBondContact O-N 2.78Å; F34-A147 HydrophobicContact CD1-CB 4.4Å; F34-A147 HydrophobicContact CE1-CB 3.55Å; F34-A147 HydrophobicContact CZ-CB 4.43Å; A147-I154 HydrophobicContact CB-CD1 4.46Å; A147-F159 HydrophobicContact CB-CE2 4.14Å; A147-F159 HydrophobicContact CB-CZ 3.66Å
148	V	35.1	Very low	35.9	Very low	96 Å²	96	93.7 Å²	93.7	58%	0.582	50%	0.495	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-82.1	130.2	161.7	-177.4	0	0	0	0	107.3	N31 S150 I154	N31-V148 WeakPolarHBondContact OD1-CA 3.38Å; V148-S150 PolarHBondContact O-N 3.28Å; V148-I154 WeakPolarHBondContact O-CD1 3.48Å
149	R	35.5	Very low	35.6	Very low	141 Å²	141	86.2 Å²	86.2	53%	0.532	46%	0.462	S	S	.	.	P	Polyproline II helix	trans	-58.1	122.3	175.2	-171.1	-179.7	-172	174.8	7	109.7	D30	D30-R149 WeakPolarHBondContact O-CB 3.4Å; D30-R149 PolarHBondContact O-N 2.78Å
150	S	34	Very low	35.3	Very low	56 Å²	56	83.9 Å²	83.9	39%	0.392	45%	0.446	S	S	.	.			trans	-106.9	144	169.4	136	0	0	0	0	108.2	V148 N152	V148-S150 PolarHBondContact O-N 3.28Å; S150-N152 PolarHBondContact O-N 2.64Å; S150-N152 PolarHBondContact OG-N 2.86Å; S150-N152 PolarHBondContact OG-O 2.99Å
151	T	34.4	Very low	34.8	Very low	144 Å²	144	80 Å²	80	88%	0.883	44%	0.443	S	S	*	.	S	Bend	trans	-59.6	-22.4	173.5	45.2	0	0	0	0	112.3
152	N	28.1	Very low	33.9	Very low	117 Å²	117	77.6 Å²	77.6	63%	0.626	45%	0.453	S	S	*	.	S	Bend	trans	-94.4	128.5	172.1	-59.8	-40.7	0	0	0	108.6	S150 I154	S150-N152 PolarHBondContact O-N 2.64Å; S150-N152 PolarHBondContact OG-N 2.86Å; S150-N152 PolarHBondContact OG-O 2.99Å; N152-I154 PolarHBondContact O-N 3.28Å
153	V	30.2	Very low	33.3	Very low	138 Å²	138	75.3 Å²	75.3	84%	0.836	44%	0.441	S	S	*	.			trans	-34.8	115	169	178.4	0	0	0	0	109.4	P155	V153-P155 WeakPolarHBondContact O-CD 3.21Å
154	I	31.4	Very low	32.8	Very low	55 Å²	55	86.4 Å²	86.4	28%	0.282	49%	0.486	S	S	.	.			trans	-83.1	108.4	177.1	-56.1	172.6	0	0	0	106.6	A147 V148 N152 I156 F159	A147-I154 HydrophobicContact CB-CD1 4.46Å; V148-I154 WeakPolarHBondContact O-CD1 3.48Å; N152-I154 PolarHBondContact O-N 3.28Å; I154-I156 PolarHBondContact O-N 3.18Å; I154-F159 HydrophobicContact CG2-CE2 3.89Å; I154-F159 HydrophobicContact CG2-CZ 4.38Å
155	P	29.2	Very low	32.4	Very low	64 Å²	64	83.4 Å²	83.4	42%	0.416	48%	0.483	S	S	.	.			trans	-68.1	122.5	168.8	30.3	-33.4	0	0	0	107.4	V153 T157 S158	V153-P155 WeakPolarHBondContact O-CD 3.21Å; P155-T157 WeakPolarHBondContact CB-OG1 3.35Å; P155-T157 PolarHBondContact O-N 3.35Å; P155-S158 PolarHBondContact O-N 3.09Å; P155-S158 PolarHBondContact O-OG 2.86Å
156	I	32.7	Very low	31.8	Very low	51 Å²	51	85.5 Å²	85.5	26%	0.262	50%	0.498	S	S	.	.	T	Hydrogen-bonded Turn	trans	-62.1	-10	-179.5	-67.8	160.6	0	0	0	111.7	L45 L132 I154 S158 F159	L45-I156 HydrophobicContact CD2-CD1 3.88Å; L132-I156 HydrophobicContact CD2-CB 3.64Å; L132-I156 HydrophobicContact CD2-CD1 4.45Å; L132-I156 HydrophobicContact CD2-CG1 4.44Å; L132-I156 HydrophobicContact CD2-CG2 4.44Å; I154-I156 PolarHBondContact O-N 3.18Å; I156-S158 PolarHBondContact O-N 2.82Å; I156-S158 VanDerWaalsContact O-N 3.14Å; I156-F159 HydrophobicContact CB-CD2 4.19Å; I156-F159 HydrophobicContact CG1-CD2 4.28Å; I156-F159 HydrophobicContact CG2-CB 4.42Å; I156-F159 HydrophobicContact CG2-CD2 4.04Å; I156-F159 VanDerWaalsContact O-CB 3.28Å; I156-F159 WeakPolarHBondContact O-CB 3.39Å; I156-F159 PolarHBondContact O-N 3.26Å
157	T	28.2	Very low	31.4	Very low	50 Å²	50	86.6 Å²	86.6	31%	0.307	50%	0.503	S	S	.	.	H	α-helix	trans	-56.6	-25.1	168.1	45.7	0	0	0	0	113.8	G131 K133 P155 F159 I160 G161	G131-T157 WeakPolarHBondContact O-CG2 3.46Å; K133-T157 HydrophobicContact CB-CG2 4.34Å; P155-T157 WeakPolarHBondContact CB-OG1 3.35Å; P155-T157 PolarHBondContact O-N 3.35Å; T157-F159 PolarHBondContact O-N 3.32Å; T157-I160 PolarHBondContact O-N 2.71Å; T157-G161 PolarHBondContact O-N 2.95Å
158	S	26.8	Very low	30.8	Very low	72 Å²	72	90.6 Å²	90.6	50%	0.503	52%	0.524	S	S	.	.	H	α-helix	trans	-62.7	-22.4	172.6	51.7	0	0	0	0	113.6	P155 I156	P155-S158 PolarHBondContact O-N 3.09Å; P155-S158 PolarHBondContact O-OG 2.86Å; I156-S158 PolarHBondContact O-N 2.82Å; I156-S158 VanDerWaalsContact O-N 3.14Å
159	F	33.6	Very low	30.6	Very low	40 Å²	40	90.3 Å²	90.3	18%	0.175	52%	0.52	C	S	.	.	H	α-helix	trans	-86.8	-19.9	179.9	-71.6	-61	0	0	0	114.4	F34 Q145 A147 I154 I156 T157	F34-F159 HydrophobicContact CE1-CE1 4.43Å; F34-F159 HydrophobicContact CE1-CE2 4.19Å; F34-F159 HydrophobicContact CE1-CZ 4.12Å; F34-F159 HydrophobicContact CE2-CD1 4.4Å; F34-F159 HydrophobicContact CE2-CD2 4.43Å; F34-F159 HydrophobicContact CE2-CG 4.26Å; F34-F159 AromaticContact CZ-CD1 3.79Å; F34-F159 HydrophobicContact CZ-CD1 3.79Å; F34-F159 AromaticContact CZ-CD2 3.71Å; F34-F159 HydrophobicContact CZ-CD2 3.71Å; F34-F159 AromaticContact CZ-CE1 3.73Å; F34-F159 HydrophobicContact CZ-CE1 3.73Å; F34-F159 AromaticContact CZ-CE2 3.7Å; F34-F159 HydrophobicContact CZ-CE2 3.7Å; F34-F159 AromaticContact CZ-CG 3.79Å; F34-F159 HydrophobicContact CZ-CG 3.79Å; F34-F159 AromaticContact CZ-CZ 3.71Å; F34-F159 HydrophobicContact CZ-CZ 3.71Å; Q145-F159 HydrophobicContact CB-CD1 4.38Å; Q145-F159 PolarHBondContact NE2-O 2.88Å; Q145-F159 VanDerWaalsContact NE2-O 3.09Å; A147-F159 HydrophobicContact CB-CE2 4.14Å; A147-F159 HydrophobicContact CB-CZ 3.66Å; I154-F159 HydrophobicContact CG2-CE2 3.89Å; I154-F159 HydrophobicContact CG2-CZ 4.38Å; I156-F159 HydrophobicContact CB-CD2 4.19Å; I156-F159 HydrophobicContact CG1-CD2 4.28Å; I156-F159 HydrophobicContact CG2-CB 4.42Å; I156-F159 HydrophobicContact CG2-CD2 4.04Å; I156-F159 VanDerWaalsContact O-CB 3.28Å; I156-F159 WeakPolarHBondContact O-CB 3.39Å; I156-F159 PolarHBondContact O-N 3.26Å; T157-F159 PolarHBondContact O-N 3.32Å
160	I	30.4	Very low	30.2	Very low	45 Å²	45	86.9 Å²	86.9	23%	0.231	52%	0.52	C	S	.	.	H	α-helix	trans	-87.3	-18.4	176.7	-55.7	175.9	0	0	0	110.6	K133 S135 T157 G162 I163	K133-I160 WeakPolarHBondContact O-CD1 3.48Å; S135-I160 WeakPolarHBondContact OG-CG2 3.29Å; T157-I160 PolarHBondContact O-N 2.71Å; I160-G162 PolarHBondContact O-N 3.14Å; I160-I163 HydrophobicContact CG2-CD1 4.47Å; I160-I163 PolarHBondContact O-N 3.29Å; I160-I163 VanDerWaalsContact O-N 3.13Å
161	G	27.3	Very low	30	Very low	58 Å²	58	89.1 Å²	89.1	60%	0.598	53%	0.529	S	S	*	.	T	Hydrogen-bonded Turn	trans	-63.5	-4.1	-176	0	0	0	0	0	116.5	T157	T157-G161 PolarHBondContact O-N 2.95Å
162	G	27.9	Very low	29.6	Very low	70 Å²	70	84.9 Å²	84.9	72%	0.722	50%	0.502	S	S	*	.	T	Hydrogen-bonded Turn	trans	-97.4	10.3	173.6	0	0	0	0	0	115.1	I160	I160-G162 PolarHBondContact O-N 3.14Å
163	I	28.5	Very low	29.7	Very low	73 Å²	73	82.3 Å²	82.3	37%	0.374	49%	0.491	S	S	.	.			trans	-111.9	31.2	-176.1	-42.5	172.2	0	0	0	111.7	I160	I160-I163 HydrophobicContact CG2-CD1 4.47Å; I160-I163 PolarHBondContact O-N 3.29Å; I160-I163 VanDerWaalsContact O-N 3.13Å
164	F	30.7	Very low	29.7	Very low	271 Å²	271	77.2 Å²	77.2	100%	1.189	46%	0.46	S	S	*	.			trans	-104.9	0	159.2	-72.8	-76.2	0	0	0	109.6

Retrieved 164 of 164 residues in 217.3 ms (Link to these results)

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