A0A5K4F546_SCHMA Loading...

Aldedh domain-containing protein

AlphaFold DB , UniProt , Accession A0A5K4F546, Species SCHMA (Schistosoma mansoni, Blood fluke), Gene n/a, Length 183 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	69.2	Low	92.8	Very high	52 Å²	52	41.2 Å²	41.2	26%	0.256	25%	0.252	S	S	.	.				0	138	0	-88.3	176.1	-79.5	0	0	110.2	R35 P109 Q111	M1-R35 PolarHBondContact O-NH1 2.73Å; M1-R35 PolarHBondContact O-NH2 3.22Å; M1-P109 HydrophobicContact CE-CB 4.21Å; M1-P109 VanDerWaalsContact CE-O 3.29Å; M1-P109 WeakPolarHBondContact CE-O 3.38Å; M1-Q111 HydrophobicContact CE-CB 4.44Å; M1-Q111 HydrophobicContact CE-CG 3.62Å; M1-Q111 HydrophobicContact CG-CG 4.36Å; M1-Q111 HydrophobicContact SD-CG 3.97Å
2	V	89.4	Confident	93	Very high	94 Å²	94	42.4 Å²	42.4	57%	0.57	26%	0.26	S	S	*	.			trans	-87	152.8	173.6	175.8	0	0	0	0	109.1	H4 G5	V2-H4 PolarHBondContact O-N 3.49Å; V2-G5 PolarHBondContact O-N 3.48Å
3	N	95.7	Very high	93.4	Very high	84 Å²	84	43.5 Å²	43.5	45%	0.449	26%	0.256	S	S	.	.	G	3₁₀ helix	trans	44.5	43.6	176.9	-165.1	34.1	0	0	0	114.3	G5 Q6	N3-G5 PolarHBondContact O-N 2.81Å; N3-Q6 PolarHBondContact ND2-O 3.24Å; N3-Q6 WeakPolarHBondContact O-CB 3.47Å; N3-Q6 PolarHBondContact O-N 3.5Å
4	H	95.6	Very high	93.7	Very high	33 Å²	33	43.1 Å²	43.1	15%	0.153	25%	0.251	C	S	.	.	G	3₁₀ helix	trans	60.9	17.3	174.5	-30.6	82.9	0	0	0	113.7	V2 Q6 Q47 G48 G108 P109	V2-H4 PolarHBondContact O-N 3.49Å; H4-Q6 PolarHBondContact O-N 3.19Å; H4-Q47 HydrophobicContact CB-CG 4.26Å; H4-Q47 WeakPolarHBondContact CD2-CG 3.5Å; H4-G48 VanDerWaalsContact CD2-C 3.46Å; H4-G48 PolarHBondContact CD2-N 3.4Å; H4-G48 PolarHBondContact CD2-O 2.93Å; H4-G48 WeakPolarHBondContact NE2-CA 3.27Å; H4-G48 PolarHBondContact NE2-N 3.48Å; H4-G108 CarbonylContact O-C 3.5Å; H4-G108 VanDerWaalsContact O-C 3.26Å; H4-P109 WeakPolarHBondContact O-CD 3.31Å
5	G	96.5	Very high	94	Very high	2 Å²	2	43 Å²	43	2%	0.021	25%	0.247	C	C	.	.	G	3₁₀ helix	trans	76	2.2	-172.2	0	0	0	0	0	114.9	V2 N3 C7 F107 G108	V2-G5 PolarHBondContact O-N 3.48Å; N3-G5 PolarHBondContact O-N 2.81Å; G5-C7 PolarHBondContact O-N 3.15Å; G5-F107 CarbonylContact O-C 3.56Å; G5-G108 WeakPolarHBondContact CA-O 3.19Å; G5-G108 PolarHBondContact O-N 2.82Å
6	Q	97.7	Very high	94.3	Very high	27 Å²	27	40.8 Å²	40.8	13%	0.126	23%	0.234	C	C	.	.			trans	-80.9	65.9	172.3	-58.2	176.9	130.8	0	0	109	N3 H4 F107	N3-Q6 PolarHBondContact ND2-O 3.24Å; N3-Q6 WeakPolarHBondContact O-CB 3.47Å; N3-Q6 PolarHBondContact O-N 3.5Å; H4-Q6 PolarHBondContact O-N 3.19Å; Q6-F107 VanDerWaalsContact C-CZ 3.46Å; Q6-F107 HydrophobicContact CB-CD1 3.96Å; Q6-F107 HydrophobicContact CB-CE1 3.65Å; Q6-F107 HydrophobicContact CB-CZ 4.25Å; Q6-F107 HydrophobicContact CG-CD1 4.17Å; Q6-F107 HydrophobicContact CG-CE1 4.28Å
7	C	95.8	Very high	94.6	Very high	28 Å²	28	43.7 Å²	43.7	19%	0.189	25%	0.245	C	C	.	.			trans	-149.4	125.2	-176.4	178	0	0	0	0	109.5	G5 V9 A10	G5-C7 PolarHBondContact O-N 3.15Å; C7-V9 PolarHBondContact O-N 3.33Å; C7-V9 VanDerWaalsContact O-N 3.16Å; C7-V9 VanDerWaalsContact SG-CG2 3.59Å; C7-A10 HydrophobicContact CB-CB 4.27Å; C7-A10 WeakPolarHBondContact O-CB 3.41Å; C7-A10 PolarHBondContact O-N 2.84Å
8	C	95.5	Very high	94.8	Very high	80 Å²	80	42.9 Å²	42.9	54%	0.541	25%	0.246	S	C	.	.	T	Hydrogen-bonded Turn	trans	-63.1	-25	-174.8	-48.7	0	0	0	0	113	L133	C8-L133 HydrophobicContact CB-CD2 3.39Å
9	V	95.3	Very high	95	Very high	8 Å²	8	46.8 Å²	46.8	5%	0.048	27%	0.272	C	S	.	.	T	Hydrogen-bonded Turn	trans	-101.9	15.2	176.3	-70.5	0	0	0	0	113.3	C7 G11 L133 W158 Y162 N163 F171	C7-V9 PolarHBondContact O-N 3.33Å; C7-V9 VanDerWaalsContact O-N 3.16Å; C7-V9 VanDerWaalsContact SG-CG2 3.59Å; V9-G11 PolarHBondContact O-N 3.09Å; V9-L133 HydrophobicContact CG1-CB 4.21Å; V9-L133 HydrophobicContact CG1-CD2 3.64Å; V9-L133 HydrophobicContact CG1-CG 3.55Å; V9-W158 HydrophobicContact CB-CH2 3.97Å; V9-W158 HydrophobicContact CB-CZ3 4.45Å; V9-W158 HydrophobicContact CG1-CH2 4.13Å; V9-W158 HydrophobicContact CG2-CH2 4.24Å; V9-Y162 WeakPolarHBondContact O-CE1 3.24Å; V9-Y162 PolarHBondContact O-OH 3.08Å; V9-N163 VanDerWaalsContact CG2-OD1 3.24Å; V9-N163 WeakPolarHBondContact CG2-OD1 3.49Å; V9-F171 HydrophobicContact CG1-CE2 3.69Å; V9-F171 HydrophobicContact CG1-CZ 3.41Å; V9-F171 VanDerWaalsContact CG1-CZ 3.41Å; V9-F171 HydrophobicContact CG2-CE2 4.47Å; V9-F171 HydrophobicContact CG2-CZ 4.39Å
10	A	95.5	Very high	95.1	Very high	22 Å²	22	48.6 Å²	48.6	18%	0.182	28%	0.28	C	S	.	.			trans	-52.4	134.5	175	0	0	0	0	0	110.8	C7 T12	C7-A10 HydrophobicContact CB-CB 4.27Å; C7-A10 WeakPolarHBondContact O-CB 3.41Å; C7-A10 PolarHBondContact O-N 2.84Å; A10-T12 HydrophobicContact CB-CG2 4.05Å; A10-T12 PolarHBondContact O-N 3.36Å
11	G	94.2	Very high	95.3	Very high	23 Å²	23	46.3 Å²	46.3	24%	0.237	27%	0.267	C	S	.	.			trans	-72.1	76.9	172.8	0	0	0	0	0	110.7	V9 Y162	V9-G11 PolarHBondContact O-N 3.09Å; G11-Y162 WeakPolarHBondContact CA-OH 3.49Å
12	T	95.4	Very high	96.7	Very high	56 Å²	56	49 Å²	49	34%	0.344	28%	0.282	S	S	.	.			trans	-78.2	-39.7	-174.6	52.6	0	0	0	0	112.2	A10 C112	A10-T12 HydrophobicContact CB-CG2 4.05Å; A10-T12 PolarHBondContact O-N 3.36Å; T12-C112 PolarHBondContact O-N 3.15Å
13	R	97.9	Very high	97.1	Very high	57 Å²	57	50.1 Å²	50.1	22%	0.215	28%	0.281	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-99.2	111.7	172	-68.1	-168.5	-67	158.1	6.3	110.3	F15 A102 L114 R125 A126	R13-F15 HydrophobicContact CB-CD2 4.49Å; R13-F15 HydrophobicContact CB-CE2 3.99Å; R13-A102 VanDerWaalsContact CD-O 3.29Å; R13-A102 WeakPolarHBondContact CD-O 3.36Å; R13-L114 HydrophobicContact CB-CD1 3.92Å; R13-L114 HydrophobicContact CG-CD1 4.16Å; R13-R125 PolarHBondContact NH1-O 2.89Å; R13-A126 PolarHBondContact NH2-O 3.32Å
14	I	98.1	Very high	97.3	Very high	37 Å²	37	49 Å²	49	19%	0.19	27%	0.274	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-104.6	104.1	177.2	-55.4	177.3	0	0	0	108.1	V16 L28 Q111 C112 I113 L114	I14-V16 HydrophobicContact CG2-CG2 3.9Å; I14-L28 HydrophobicContact CD1-CD1 4.04Å; I14-L28 HydrophobicContact CG2-CD1 4.45Å; I14-Q111 HydrophobicContact CD1-CB 4.15Å; I14-Q111 HydrophobicContact CD1-CG 3.87Å; I14-C112 PolarHBondContact N-O 3.29Å; I14-I113 WeakPolarHBondContact O-CA 3.22Å; I14-L114 PolarHBondContact O-N 3.41Å
15	F	98.6	Very high	97.4	Very high	42 Å²	42	47.7 Å²	47.7	18%	0.184	27%	0.268	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-82.6	127	172.8	-70.1	-85	0	0	0	110.1	R13 L114 F116 V122 R125	R13-F15 HydrophobicContact CB-CD2 4.49Å; R13-F15 HydrophobicContact CB-CE2 3.99Å; F15-L114 CarbonylContact C-O 3.58Å; F15-L114 WeakPolarHBondContact CA-O 3.31Å; F15-L114 HydrophobicContact CD1-CB 3.74Å; F15-L114 HydrophobicContact CE1-CB 3.79Å; F15-L114 HydrophobicContact CE1-CD1 4.49Å; F15-L114 HydrophobicContact CE1-CD2 4.01Å; F15-L114 HydrophobicContact CE1-CG 4.31Å; F15-L114 HydrophobicContact CG-CB 4.48Å; F15-L114 HydrophobicContact CZ-CD1 4.48Å; F15-L114 HydrophobicContact CZ-CD2 4.23Å; F15-F116 HydrophobicContact CB-CD1 3.78Å; F15-F116 HydrophobicContact CB-CE1 4.01Å; F15-V122 HydrophobicContact CB-CG2 3.61Å; F15-V122 HydrophobicContact CD1-CG2 3.96Å; F15-V122 HydrophobicContact CD2-CG2 4.33Å; F15-V122 HydrophobicContact CG-CG2 3.71Å; F15-R125 HydrophobicContact CE1-CB 3.9Å; F15-R125 HydrophobicContact CZ-CB 4.06Å
16	V	98.7	Very high	97.5	Very high	7 Å²	7	51.3 Å²	51.3	4%	0.042	29%	0.285	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-127.1	130.9	179.8	-177.3	0	0	0	0	110.3	I14 I20 Y21 M24 I113 L114 K115 F116	I14-V16 HydrophobicContact CG2-CG2 3.9Å; V16-I20 HydrophobicContact CG1-CD1 4.13Å; V16-I20 HydrophobicContact CG1-CG1 3.74Å; V16-Y21 HydrophobicContact CB-CD2 4Å; V16-Y21 HydrophobicContact CG1-CD2 4.42Å; V16-M24 HydrophobicContact CG1-CB 3.79Å; V16-M24 HydrophobicContact CG1-CG 3.63Å; V16-M24 HydrophobicContact CG2-CB 4.09Å; V16-M24 HydrophobicContact CG2-CG 4.38Å; V16-I113 HydrophobicContact CB-CG2 4.49Å; V16-I113 HydrophobicContact CG2-CG2 3.84Å; V16-L114 PolarHBondContact N-O 2.9Å; V16-K115 WeakPolarHBondContact O-CA 3.47Å; V16-F116 WeakPolarHBondContact O-CD1 3.17Å; V16-F116 PolarHBondContact O-N 3.45Å; V16-F116 VanDerWaalsContact O-N 3.08Å
17	Q	98.4	Very high	97.5	Very high	91 Å²	91	55.3 Å²	55.3	43%	0.425	30%	0.302	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-68.6	138.6	-179.2	-157.4	176.8	17.4	0	0	110.6	P19 I20 Y21 F116 N117	Q17-P19 VanDerWaalsContact C-N 3.35Å; Q17-P19 WeakPolarHBondContact O-CD 3.4Å; Q17-P19 VanDerWaalsContact O-N 3.09Å; Q17-I20 WeakPolarHBondContact O-CG1 3.31Å; Q17-I20 PolarHBondContact O-N 3.48Å; Q17-I20 VanDerWaalsContact O-N 3.08Å; Q17-Y21 PolarHBondContact O-N 2.63Å; Q17-F116 CarbonylContact C-O 3.56Å; Q17-F116 WeakPolarHBondContact CA-O 3.43Å; Q17-F116 HydrophobicContact CB-CE1 3.98Å; Q17-F116 HydrophobicContact CB-CE2 3.9Å; Q17-F116 HydrophobicContact CB-CZ 3.59Å; Q17-F116 HydrophobicContact CG-CD2 4.24Å; Q17-F116 HydrophobicContact CG-CE2 3.73Å; Q17-F116 HydrophobicContact CG-CZ 3.97Å; Q17-N117 PolarHBondContact NE2-O 3.5Å; Q17-N117 VanDerWaalsContact NE2-O 3.09Å
18	A	98.5	Very high	97.6	Very high	30 Å²	30	55.1 Å²	55.1	25%	0.248	30%	0.299	C	S	.	.	G	3₁₀ helix	trans	-45.9	-43.7	-170.1	0	0	0	0	0	115.7	I20 Y21 K115 F116	A18-I20 PolarHBondContact O-N 3.46Å; A18-I20 VanDerWaalsContact O-N 3.15Å; A18-Y21 WeakPolarHBondContact O-CB 3.44Å; A18-Y21 PolarHBondContact O-N 2.99Å; A18-K115 HydrophobicContact CB-CD 4.2Å; A18-K115 HydrophobicContact CB-CG 4.11Å; A18-F116 PolarHBondContact N-O 3.39Å
19	P	98.5	Very high	97.8	Very high	116 Å²	116	54.1 Å²	54.1	75%	0.753	29%	0.285	S	S	*	.	G	3₁₀ helix	trans	-62.9	-23.1	-176.7	-25.2	36.4	0	0	0	115.3	Q17	Q17-P19 VanDerWaalsContact C-N 3.35Å; Q17-P19 WeakPolarHBondContact O-CD 3.4Å; Q17-P19 VanDerWaalsContact O-N 3.09Å
20	I	98.3	Very high	97.9	Very high	83 Å²	83	58.7 Å²	58.7	43%	0.426	30%	0.304	S	S	.	.	G	3₁₀ helix	trans	-115	5.7	-178.8	62.2	165.1	0	0	0	112.8	V16 Q17 A18 D22 Q23 M24	V16-I20 HydrophobicContact CG1-CD1 4.13Å; V16-I20 HydrophobicContact CG1-CG1 3.74Å; Q17-I20 WeakPolarHBondContact O-CG1 3.31Å; Q17-I20 PolarHBondContact O-N 3.48Å; Q17-I20 VanDerWaalsContact O-N 3.08Å; A18-I20 PolarHBondContact O-N 3.46Å; A18-I20 VanDerWaalsContact O-N 3.15Å; I20-D22 PolarHBondContact O-N 3.41Å; I20-Q23 PolarHBondContact O-N 3.41Å; I20-M24 HydrophobicContact CB-CG 4.48Å; I20-M24 HydrophobicContact CD1-CG 4.05Å; I20-M24 HydrophobicContact CG1-CG 4.25Å; I20-M24 WeakPolarHBondContact O-CB 3.46Å; I20-M24 WeakPolarHBondContact O-CG 3.37Å; I20-M24 PolarHBondContact O-N 3.3Å
21	Y	98.7	Very high	98	Very high	1 Å²	1	62.9 Å²	62.9	0%	0.004	32%	0.323	C	S	.	.	H	α-helix	trans	-57	-55.7	-171.6	-177.9	-93.8	0	0	0	112.9	V16 Q17 A18 Q23 M24 V25 D94 I113 K115	V16-Y21 HydrophobicContact CB-CD2 4Å; V16-Y21 HydrophobicContact CG1-CD2 4.42Å; Q17-Y21 PolarHBondContact O-N 2.63Å; A18-Y21 WeakPolarHBondContact O-CB 3.44Å; A18-Y21 PolarHBondContact O-N 2.99Å; Y21-Q23 VanDerWaalsContact C-N 3.29Å; Y21-Q23 PolarHBondContact O-N 3.25Å; Y21-M24 PolarHBondContact O-N 3.43Å; Y21-M24 VanDerWaalsContact O-N 3.11Å; Y21-V25 HydrophobicContact CD1-CG2 4.03Å; Y21-V25 HydrophobicContact CE1-CG2 3.64Å; Y21-V25 HydrophobicContact CE2-CG2 4.37Å; Y21-V25 WeakPolarHBondContact O-CG2 3.49Å; Y21-V25 PolarHBondContact O-N 3.2Å; Y21-D94 PolarHBondContact OH-N 3.37Å; Y21-D94 PolarHBondContact OH-OD1 3.32Å; Y21-I113 HydrophobicContact CD2-CG2 4.37Å; Y21-I113 HydrophobicContact CE2-CG2 3.66Å; Y21-I113 PolarHBondContact OH-O 3.1Å; Y21-I113 VanDerWaalsContact OH-O 3.1Å; Y21-K115 HydrophobicContact CD1-CD 4.46Å; Y21-K115 HydrophobicContact CD2-CB 3.5Å; Y21-K115 VanDerWaalsContact CD2-CB 3.5Å; Y21-K115 HydrophobicContact CD2-CD 4.35Å; Y21-K115 HydrophobicContact CD2-CG 3.76Å; Y21-K115 HydrophobicContact CE2-CB 3.55Å; Y21-K115 HydrophobicContact CE2-CG 4.31Å; Y21-K115 HydrophobicContact CG-CB 4.15Å; Y21-K115 HydrophobicContact CG-CD 4.15Å; Y21-K115 HydrophobicContact CG-CG 4.01Å
22	D	98.6	Very high	98.2	Very high	109 Å²	109	62.4 Å²	62.4	58%	0.583	32%	0.317	S	S	*	.	H	α-helix	trans	-65.1	-37.1	-175.3	-60.5	-43.6	0	0	0	111.3	I20 M24 V25 E26	I20-D22 PolarHBondContact O-N 3.41Å; D22-M24 VanDerWaalsContact C-N 3.34Å; D22-M24 PolarHBondContact O-N 2.93Å; D22-V25 PolarHBondContact O-N 3.16Å; D22-E26 PolarHBondContact O-N 2.95Å
23	Q	98.5	Very high	98.3	Very high	117 Å²	117	64.7 Å²	64.7	55%	0.547	32%	0.324	S	S	.	.	H	α-helix	trans	-63.4	-40.8	175.1	-169.8	-174.1	25.4	0	0	111.7	I20 Y21 K27	I20-Q23 PolarHBondContact O-N 3.41Å; Y21-Q23 VanDerWaalsContact C-N 3.29Å; Y21-Q23 PolarHBondContact O-N 3.25Å; Q23-K27 HydrophobicContact CG-CD 4.31Å; Q23-K27 WeakPolarHBondContact O-CB 3.37Å; Q23-K27 WeakPolarHBondContact O-CG 3.45Å; Q23-K27 PolarHBondContact O-N 2.86Å
24	M	98.2	Very high	98.2	Very high	60 Å²	60	68.9 Å²	68.9	30%	0.296	35%	0.345	S	S	.	.	H	α-helix	trans	-68.9	-41.3	177.6	-75.4	-62.5	-66.3	0	0	112	V16 I20 Y21 D22 E26 K27 L28	V16-M24 HydrophobicContact CG1-CB 3.79Å; V16-M24 HydrophobicContact CG1-CG 3.63Å; V16-M24 HydrophobicContact CG2-CB 4.09Å; V16-M24 HydrophobicContact CG2-CG 4.38Å; I20-M24 HydrophobicContact CB-CG 4.48Å; I20-M24 HydrophobicContact CD1-CG 4.05Å; I20-M24 HydrophobicContact CG1-CG 4.25Å; I20-M24 WeakPolarHBondContact O-CB 3.46Å; I20-M24 WeakPolarHBondContact O-CG 3.37Å; I20-M24 PolarHBondContact O-N 3.3Å; Y21-M24 PolarHBondContact O-N 3.43Å; Y21-M24 VanDerWaalsContact O-N 3.11Å; D22-M24 VanDerWaalsContact C-N 3.34Å; D22-M24 PolarHBondContact O-N 2.93Å; M24-E26 VanDerWaalsContact C-N 3.32Å; M24-E26 PolarHBondContact O-N 3.24Å; M24-K27 PolarHBondContact O-N 3.38Å; M24-L28 WeakPolarHBondContact O-CB 3.23Å; M24-L28 WeakPolarHBondContact O-CG 3.45Å; M24-L28 PolarHBondContact O-N 2.76Å
25	V	98.7	Very high	98.2	Very high	6 Å²	6	69.6 Å²	69.6	4%	0.036	35%	0.346	C	S	.	.	H	α-helix	trans	-57.4	-47.6	174.7	172.7	0	0	0	0	110.5	Y21 D22 K27 L28 K29 V74 A93 I113	Y21-V25 HydrophobicContact CD1-CG2 4.03Å; Y21-V25 HydrophobicContact CE1-CG2 3.64Å; Y21-V25 HydrophobicContact CE2-CG2 4.37Å; Y21-V25 WeakPolarHBondContact O-CG2 3.49Å; Y21-V25 PolarHBondContact O-N 3.2Å; D22-V25 PolarHBondContact O-N 3.16Å; V25-K27 PolarHBondContact O-N 3.34Å; V25-L28 PolarHBondContact O-N 3.12Å; V25-K29 WeakPolarHBondContact O-CB 3.44Å; V25-K29 PolarHBondContact O-N 3.11Å; V25-V74 HydrophobicContact CG1-CG1 3.99Å; V25-V74 HydrophobicContact CG1-CG2 3.9Å; V25-A93 HydrophobicContact CG1-CB 4.02Å; V25-A93 HydrophobicContact CG2-CB 4.02Å; V25-I113 HydrophobicContact CB-CD1 4.37Å; V25-I113 HydrophobicContact CG2-CD1 3.91Å; V25-I113 HydrophobicContact CG2-CG2 4.13Å
26	E	98.7	Very high	98.1	Very high	78 Å²	78	72 Å²	72	36%	0.364	36%	0.356	S	S	.	.	H	α-helix	trans	-65.8	-38.7	179.8	-179.1	57.6	-161.3	0	0	112.6	D22 M24 K30	D22-E26 PolarHBondContact O-N 2.95Å; M24-E26 VanDerWaalsContact C-N 3.32Å; M24-E26 PolarHBondContact O-N 3.24Å; E26-K30 WeakPolarHBondContact O-CG 3.48Å; E26-K30 PolarHBondContact O-N 3.21Å; E26-K30 VanDerWaalsContact O-N 3.1Å; E26-K30 WeakPolarHBondContact OE1-CE 3.3Å; E26-K30 IonicContact OE1-NZ 3.34Å; E26-K30 PolarHBondContact OE1-NZ 3.33Å
27	K	98.4	Very high	98	Very high	110 Å²	110	72.9 Å²	72.9	48%	0.478	36%	0.362	S	S	.	.	H	α-helix	trans	-65.6	-44.3	175.3	-77.3	172.2	178.2	-81.9	0	111.8	Q23 M24 V25 K30 L31	Q23-K27 HydrophobicContact CG-CD 4.31Å; Q23-K27 WeakPolarHBondContact O-CB 3.37Å; Q23-K27 WeakPolarHBondContact O-CG 3.45Å; Q23-K27 PolarHBondContact O-N 2.86Å; M24-K27 PolarHBondContact O-N 3.38Å; V25-K27 PolarHBondContact O-N 3.34Å; K27-K30 PolarHBondContact O-N 3.45Å; K27-L31 WeakPolarHBondContact O-CG 3.1Å; K27-L31 PolarHBondContact O-N 3.48Å
28	L	97.6	Very high	98	Very high	24 Å²	24	69.4 Å²	69.4	13%	0.126	35%	0.35	C	S	.	.	H	α-helix	trans	-66.7	-38.2	179.1	-72.3	172	0	0	0	111.7	I14 M24 V25 L31 A32 I113	I14-L28 HydrophobicContact CD1-CD1 4.04Å; I14-L28 HydrophobicContact CG2-CD1 4.45Å; M24-L28 WeakPolarHBondContact O-CB 3.23Å; M24-L28 WeakPolarHBondContact O-CG 3.45Å; M24-L28 PolarHBondContact O-N 2.76Å; V25-L28 PolarHBondContact O-N 3.12Å; L28-L31 PolarHBondContact O-N 2.83Å; L28-A32 WeakPolarHBondContact O-CB 3.36Å; L28-A32 PolarHBondContact O-N 2.71Å; L28-I113 HydrophobicContact CB-CD1 4.17Å; L28-I113 HydrophobicContact CD1-CD1 3.48Å; L28-I113 VanDerWaalsContact CD1-CD1 3.48Å; L28-I113 HydrophobicContact CD1-CG1 3.95Å; L28-I113 HydrophobicContact CG-CD1 4.46Å
29	K	98.4	Very high	97.9	Very high	59 Å²	59	71.9 Å²	71.9	26%	0.257	36%	0.359	S	S	.	.	H	α-helix	trans	-54.2	-55.6	170.1	178.1	-173.6	174.5	-175	0	111.4	V25 L31 A32 E33 V74 T75	V25-K29 WeakPolarHBondContact O-CB 3.44Å; V25-K29 PolarHBondContact O-N 3.11Å; K29-L31 VanDerWaalsContact C-N 3.3Å; K29-L31 PolarHBondContact O-N 2.71Å; K29-A32 WeakPolarHBondContact O-CB 3.22Å; K29-A32 PolarHBondContact O-N 3Å; K29-A32 VanDerWaalsContact O-N 3.1Å; K29-E33 WeakPolarHBondContact CE-OE1 3.34Å; K29-E33 HydrophobicContact CG-CG 4.48Å; K29-E33 WeakPolarHBondContact O-CG 3.47Å; K29-E33 PolarHBondContact O-N 3.35Å; K29-V74 HydrophobicContact CB-CG1 3.76Å; K29-V74 HydrophobicContact CD-CG1 3.84Å; K29-V74 HydrophobicContact CG-CG1 3.89Å; K29-T75 HydrophobicContact CG-CG2 4.18Å
30	K	98.4	Very high	97.8	Very high	104 Å²	104	70.1 Å²	70.1	45%	0.452	35%	0.348	S	S	.	.	H	α-helix	trans	-57	-44.1	-179.2	-76.1	173.9	173.5	159.1	0	112.2	E26 K27 A32 E33 Q34	E26-K30 WeakPolarHBondContact O-CG 3.48Å; E26-K30 PolarHBondContact O-N 3.21Å; E26-K30 VanDerWaalsContact O-N 3.1Å; E26-K30 WeakPolarHBondContact OE1-CE 3.3Å; E26-K30 IonicContact OE1-NZ 3.34Å; E26-K30 PolarHBondContact OE1-NZ 3.33Å; K27-K30 PolarHBondContact O-N 3.45Å; K30-A32 VanDerWaalsContact C-N 3.35Å; K30-A32 PolarHBondContact O-N 3.06Å; K30-E33 PolarHBondContact O-N 3.22Å; K30-Q34 WeakPolarHBondContact O-CB 3.43Å; K30-Q34 WeakPolarHBondContact O-CG 3.36Å; K30-Q34 PolarHBondContact O-N 2.87Å
31	L	97.4	Very high	97.7	Very high	111 Å²	111	75.1 Å²	75.1	58%	0.581	37%	0.367	S	S	*	.	H	α-helix	trans	-65.5	-37.1	178	-70.3	173.3	0	0	0	112.7	K27 L28 K29 R35	K27-L31 WeakPolarHBondContact O-CG 3.1Å; K27-L31 PolarHBondContact O-N 3.48Å; L28-L31 PolarHBondContact O-N 2.83Å; K29-L31 VanDerWaalsContact C-N 3.3Å; K29-L31 PolarHBondContact O-N 2.71Å; L31-R35 PolarHBondContact O-N 3.1Å
32	A	97.6	Very high	97.6	Very high	12 Å²	12	78.1 Å²	78.1	10%	0.099	39%	0.385	C	S	.	.	H	α-helix	trans	-66.9	-42.4	175.6	0	0	0	0	0	111.6	L28 K29 K30 R35 T75 P89 V91	L28-A32 WeakPolarHBondContact O-CB 3.36Å; L28-A32 PolarHBondContact O-N 2.71Å; K29-A32 WeakPolarHBondContact O-CB 3.22Å; K29-A32 PolarHBondContact O-N 3Å; K29-A32 VanDerWaalsContact O-N 3.1Å; K30-A32 VanDerWaalsContact C-N 3.35Å; K30-A32 PolarHBondContact O-N 3.06Å; A32-R35 PolarHBondContact O-N 2.88Å; A32-T75 HydrophobicContact CB-CG2 3.75Å; A32-P89 HydrophobicContact CB-CB 3.98Å; A32-V91 HydrophobicContact CB-CG2 3.72Å
33	E	97.7	Very high	97.5	Very high	105 Å²	105	79 Å²	79	49%	0.491	40%	0.4	S	S	.	.	H	α-helix	trans	-70.6	-31.8	179.9	-71.8	173	169.9	0	0	113.2	K29 K30 R35 T75	K29-E33 WeakPolarHBondContact CE-OE1 3.34Å; K29-E33 HydrophobicContact CG-CG 4.48Å; K29-E33 WeakPolarHBondContact O-CG 3.47Å; K29-E33 PolarHBondContact O-N 3.35Å; K30-E33 PolarHBondContact O-N 3.22Å; E33-R35 VanDerWaalsContact C-N 3.27Å; E33-R35 PolarHBondContact O-N 2.86Å; E33-T75 HydrophobicContact CG-CG2 4.16Å; E33-T75 WeakPolarHBondContact CG-OG1 3.38Å; E33-T75 WeakPolarHBondContact OE1-CB 3.46Å; E33-T75 PolarHBondContact OE1-OG1 2.89Å
34	Q	97.2	Very high	97.4	Very high	144 Å²	144	77.5 Å²	77.5	67%	0.673	40%	0.396	S	S	*	.	T	Hydrogen-bonded Turn	trans	-76.6	-13.2	178	-74.1	171.2	-4.7	0	0	113.6	K30 K36	K30-Q34 WeakPolarHBondContact O-CB 3.43Å; K30-Q34 WeakPolarHBondContact O-CG 3.36Å; K30-Q34 PolarHBondContact O-N 2.87Å; Q34-K36 PolarHBondContact O-N 2.87Å
35	R	96.6	Very high	97.3	Very high	53 Å²	53	75.9 Å²	75.9	20%	0.2	39%	0.389	C	S	.	.			trans	-74.7	114.5	-173.6	170.9	168.7	-98.1	-97.3	-8.8	110.5	M1 L31 A32 E33 V37 I46 Q47 P89	M1-R35 PolarHBondContact O-NH1 2.73Å; M1-R35 PolarHBondContact O-NH2 3.22Å; L31-R35 PolarHBondContact O-N 3.1Å; A32-R35 PolarHBondContact O-N 2.88Å; E33-R35 VanDerWaalsContact C-N 3.27Å; E33-R35 PolarHBondContact O-N 2.86Å; R35-V37 PolarHBondContact O-N 3.08Å; R35-I46 HydrophobicContact CG-CB 4.38Å; R35-I46 HydrophobicContact CG-CG2 4.31Å; R35-I46 VanDerWaalsContact CZ-CG2 3.47Å; R35-I46 PolarHBondContact NH1-O 3.06Å; R35-I46 VanDerWaalsContact NH1-O 3.14Å; R35-I46 VanDerWaalsContact NH2-CG2 3.25Å; R35-Q47 HydrophobicContact CG-CB 4.18Å; R35-P89 HydrophobicContact CB-CG 3.99Å; R35-P89 HydrophobicContact CG-CG 3.89Å
36	K	96.6	Very high	97.2	Very high	91 Å²	91	80.2 Å²	80.2	40%	0.396	41%	0.411	S	S	.	.			trans	-68.3	112.6	176.6	-167	178.2	-171.1	-176.2	0	111.1	Q34 D44 I46 Q47	Q34-K36 PolarHBondContact O-N 2.87Å; K36-D44 HydrophobicContact CD-CB 4.48Å; K36-D44 WeakPolarHBondContact CD-O 3.27Å; K36-D44 IonicContact NZ-OD1 2.65Å; K36-D44 PolarHBondContact NZ-OD1 3.11Å; K36-D44 IonicContact NZ-OD2 2.6Å; K36-D44 PolarHBondContact NZ-OD2 3.35Å; K36-I46 HydrophobicContact CB-CG1 4.32Å; K36-I46 PolarHBondContact O-N 3.1Å; K36-Q47 PolarHBondContact O-N 2.9Å
37	V	97.8	Very high	97.2	Very high	27 Å²	27	76.5 Å²	76.5	16%	0.164	39%	0.394	C	S	.	.	B	Isolated β-bridge	trans	-100.7	132.7	172.9	-167.8	0	0	0	0	109.5	R35 Q47 I80 F86 P89	R35-V37 PolarHBondContact O-N 3.08Å; V37-Q47 CarbonylContact C-O 3.56Å; V37-Q47 WeakPolarHBondContact CA-O 3.39Å; V37-Q47 HydrophobicContact CB-CB 4.39Å; V37-Q47 HydrophobicContact CG1-CB 4.25Å; V37-Q47 HydrophobicContact CG1-CG 4.36Å; V37-Q47 VanDerWaalsContact CG1-O 3.3Å; V37-Q47 WeakPolarHBondContact CG1-O 3.41Å; V37-Q47 HydrophobicContact CG2-CB 4.07Å; V37-Q47 HydrophobicContact CG2-CG 4.46Å; V37-I80 HydrophobicContact CB-CD1 3.52Å; V37-I80 HydrophobicContact CG1-CD1 3.77Å; V37-I80 HydrophobicContact CG2-CD1 3.68Å; V37-F86 HydrophobicContact CG1-CB 4.26Å; V37-F86 HydrophobicContact CG1-CD1 3.81Å; V37-F86 HydrophobicContact CG1-CG 4.46Å; V37-P89 HydrophobicContact CG2-CG 4.04Å
38	G	97.1	Very high	97.1	Very high	18 Å²	18	71.3 Å²	71.3	19%	0.186	37%	0.372	C	S	.	.	S	Bend	trans	176.8	-164.8	-177.3	0	0	0	0	0	114	T45 Q47 G48 F86	G38-T45 WeakPolarHBondContact O-CG2 2.95Å; G38-Q47 PolarHBondContact N-O 3.37Å; G38-G48 WeakPolarHBondContact O-CA 3.44Å; G38-F86 WeakPolarHBondContact O-CE1 3.5Å
39	D	96.6	Very high	97.2	Very high	81 Å²	81	72 Å²	72	43%	0.433	38%	0.377	S	S	.	.			trans	-57.6	123.4	177.6	-176.8	-19.5	0	0	0	110.8	F41 V42 T45	D39-F41 PolarHBondContact O-N 3.45Å; D39-F41 VanDerWaalsContact O-N 3.15Å; D39-F41 WeakPolarHBondContact OD1-CB 3.34Å; D39-F41 WeakPolarHBondContact OD1-CD2 3.49Å; D39-F41 PolarHBondContact OD1-N 3.21Å; D39-V42 HydrophobicContact CB-CB 4.47Å; D39-V42 HydrophobicContact CB-CG2 3.88Å; D39-V42 WeakPolarHBondContact O-CB 3.32Å; D39-V42 PolarHBondContact O-N 3.05Å; D39-T45 WeakPolarHBondContact O-CB 3.37Å; D39-T45 WeakPolarHBondContact O-CG2 3.06Å; D39-T45 PolarHBondContact O-OG1 3.29Å
40	P	96	Very high	97.2	Very high	79 Å²	79	69.2 Å²	69.2	51%	0.513	37%	0.365	S	S	.	.	T	Hydrogen-bonded Turn	trans	-64.3	-15.1	-178.6	28.3	-36.6	0	0	0	114
41	F	96.9	Very high	97.2	Very high	189 Å²	189	70.4 Å²	70.4	83%	0.829	38%	0.375	S	S	*	.	T	Hydrogen-bonded Turn	trans	-86.8	-9.5	175.1	-62	-71.3	0	0	0	113.5	D39	D39-F41 PolarHBondContact O-N 3.45Å; D39-F41 VanDerWaalsContact O-N 3.15Å; D39-F41 WeakPolarHBondContact OD1-CB 3.34Å; D39-F41 WeakPolarHBondContact OD1-CD2 3.49Å; D39-F41 PolarHBondContact OD1-N 3.21Å
42	V	97	Very high	97.2	Very high	64 Å²	64	68 Å²	68	39%	0.388	36%	0.363	S	S	.	.	S	Bend	trans	-82.6	127.4	173.3	174.2	0	0	0	0	109.2	D39 D44 T45	D39-V42 HydrophobicContact CB-CB 4.47Å; D39-V42 HydrophobicContact CB-CG2 3.88Å; D39-V42 WeakPolarHBondContact O-CB 3.32Å; D39-V42 PolarHBondContact O-N 3.05Å; V42-D44 VanDerWaalsContact C-N 3.28Å; V42-D44 VanDerWaalsContact CG1-OD1 3.26Å; V42-D44 WeakPolarHBondContact CG1-OD1 3.46Å; V42-D44 PolarHBondContact O-N 2.92Å; V42-D44 VanDerWaalsContact O-N 3.13Å; V42-T45 VanDerWaalsContact O-CB 3.28Å; V42-T45 WeakPolarHBondContact O-CB 3.43Å; V42-T45 PolarHBondContact O-N 3.49Å; V42-T45 PolarHBondContact O-OG1 3.02Å
43	S	96	Very high	97.2	Very high	127 Å²	127	71.2 Å²	71.2	89%	0.888	38%	0.378	S	S	*	.	T	Hydrogen-bonded Turn	trans	-62	-26.6	-164.9	57.5	0	0	0	0	115.9
44	D	96.4	Very high	97.2	Very high	86 Å²	86	70.7 Å²	70.7	46%	0.46	38%	0.382	S	S	.	.	T	Hydrogen-bonded Turn	trans	-101.2	5.3	179.7	70.9	-22.1	0	0	0	113.1	K36 V42 I46	K36-D44 HydrophobicContact CD-CB 4.48Å; K36-D44 WeakPolarHBondContact CD-O 3.27Å; K36-D44 IonicContact NZ-OD1 2.65Å; K36-D44 PolarHBondContact NZ-OD1 3.11Å; K36-D44 IonicContact NZ-OD2 2.6Å; K36-D44 PolarHBondContact NZ-OD2 3.35Å; V42-D44 VanDerWaalsContact C-N 3.28Å; V42-D44 VanDerWaalsContact CG1-OD1 3.26Å; V42-D44 WeakPolarHBondContact CG1-OD1 3.46Å; V42-D44 PolarHBondContact O-N 2.92Å; V42-D44 VanDerWaalsContact O-N 3.13Å; D44-I46 PolarHBondContact O-N 3.44Å
45	T	96.9	Very high	97.3	Very high	26 Å²	26	65 Å²	65	16%	0.16	36%	0.356	C	S	.	.			trans	-66.5	127.9	169.8	-68.6	0	0	0	0	110	G38 D39 V42 Q47	G38-T45 WeakPolarHBondContact O-CG2 2.95Å; D39-T45 WeakPolarHBondContact O-CB 3.37Å; D39-T45 WeakPolarHBondContact O-CG2 3.06Å; D39-T45 PolarHBondContact O-OG1 3.29Å; V42-T45 VanDerWaalsContact O-CB 3.28Å; V42-T45 WeakPolarHBondContact O-CB 3.43Å; V42-T45 PolarHBondContact O-N 3.49Å; V42-T45 PolarHBondContact O-OG1 3.02Å; T45-Q47 WeakPolarHBondContact CG2-O 3.05Å
46	I	96.6	Very high	97.4	Very high	96 Å²	96	63.4 Å²	63.4	49%	0.492	35%	0.35	S	S	.	.	S	Bend	trans	-101.3	-25.2	177.9	-53.8	179.2	0	0	0	110.7	R35 K36 D44	R35-I46 HydrophobicContact CG-CB 4.38Å; R35-I46 HydrophobicContact CG-CG2 4.31Å; R35-I46 VanDerWaalsContact CZ-CG2 3.47Å; R35-I46 PolarHBondContact NH1-O 3.06Å; R35-I46 VanDerWaalsContact NH1-O 3.14Å; R35-I46 VanDerWaalsContact NH2-CG2 3.25Å; K36-I46 HydrophobicContact CB-CG1 4.32Å; K36-I46 PolarHBondContact O-N 3.1Å; D44-I46 PolarHBondContact O-N 3.44Å
47	Q	97.8	Very high	97.5	Very high	0 Å²	0	63.5 Å²	63.5	0%	0	36%	0.355	C	S	.	.	B	Isolated β-bridge	trans	-137.3	114.3	-179.9	-167.5	171.5	-75	0	0	110.3	H4 R35 K36 V37 G38 T45 I87	H4-Q47 HydrophobicContact CB-CG 4.26Å; H4-Q47 WeakPolarHBondContact CD2-CG 3.5Å; R35-Q47 HydrophobicContact CG-CB 4.18Å; K36-Q47 PolarHBondContact O-N 2.9Å; V37-Q47 CarbonylContact C-O 3.56Å; V37-Q47 WeakPolarHBondContact CA-O 3.39Å; V37-Q47 HydrophobicContact CB-CB 4.39Å; V37-Q47 HydrophobicContact CG1-CB 4.25Å; V37-Q47 HydrophobicContact CG1-CG 4.36Å; V37-Q47 VanDerWaalsContact CG1-O 3.3Å; V37-Q47 WeakPolarHBondContact CG1-O 3.41Å; V37-Q47 HydrophobicContact CG2-CB 4.07Å; V37-Q47 HydrophobicContact CG2-CG 4.46Å; G38-Q47 PolarHBondContact N-O 3.37Å; T45-Q47 WeakPolarHBondContact CG2-O 3.05Å; Q47-I87 PolarHBondContact NE2-O 2.57Å
48	G	97.5	Very high	97.5	Very high	2 Å²	2	65.9 Å²	65.9	2%	0.021	36%	0.363	C	S	.	.			trans	-75.6	-164.9	164.4	0	0	0	0	0	114.8	H4 G38	H4-G48 VanDerWaalsContact CD2-C 3.46Å; H4-G48 PolarHBondContact CD2-N 3.4Å; H4-G48 PolarHBondContact CD2-O 2.93Å; H4-G48 WeakPolarHBondContact NE2-CA 3.27Å; H4-G48 PolarHBondContact NE2-N 3.48Å; G38-G48 WeakPolarHBondContact O-CA 3.44Å
49	P	98	Very high	97.6	Very high	37 Å²	37	65 Å²	65	24%	0.24	35%	0.354	C	S	.	.			trans	-81.5	171.3	-179.9	34.5	-33.6	0	0	0	111.8	F86	P49-F86 HydrophobicContact CB-CD1 3.76Å; P49-F86 HydrophobicContact CB-CD2 4.43Å; P49-F86 HydrophobicContact CB-CE1 3.59Å; P49-F86 HydrophobicContact CB-CE2 4.28Å; P49-F86 HydrophobicContact CB-CG 4.19Å; P49-F86 HydrophobicContact CB-CZ 3.87Å; P49-F86 VanDerWaalsContact CD-CE1 3.45Å; P49-F86 HydrophobicContact CG-CE1 3.93Å; P49-F86 HydrophobicContact CG-CZ 4.07Å; P49-F86 VanDerWaalsContact N-CE1 3.29Å
50	Q	98.5	Very high	97.7	Very high	2 Å²	2	62.9 Å²	62.9	1%	0.009	34%	0.342	C	S	.	.			trans	-69.1	159.8	159.7	-53.6	-51.7	-63.6	0	0	110.2	D52 Q55 I59 Y85 I87	Q50-D52 PolarHBondContact O-N 2.72Å; Q50-Q55 HydrophobicContact CB-CG 4.44Å; Q50-I59 HydrophobicContact CG-CD1 3.71Å; Q50-Y85 WeakPolarHBondContact CG-O 3.42Å; Q50-Y85 PolarHBondContact N-O 2.88Å; Q50-I87 HydrophobicContact CG-CD1 3.76Å; Q50-I87 HydrophobicContact CG-CG1 4.14Å
51	I	98	Very high	97.8	Very high	128 Å²	128	62 Å²	62	66%	0.656	34%	0.338	S	S	*	.	S	Bend	trans	-61.1	-42.5	-171.9	-171.8	60.4	0	0	0	113.5	Q55	I51-Q55 HydrophobicContact CG2-CB 3.86Å; I51-Q55 HydrophobicContact CG2-CG 4.16Å
52	D	98	Very high	97.9	Very high	62 Å²	62	54.1 Å²	54.1	33%	0.332	30%	0.303	S	S	.	.	S	Bend	trans	-151.5	-179.4	-177.6	64.7	25.5	0	0	0	112.2	Q50 V54 Q55 F56 Y85	Q50-D52 PolarHBondContact O-N 2.72Å; D52-V54 PolarHBondContact OD1-N 3.42Å; D52-Q55 WeakPolarHBondContact OD1-CB 3.4Å; D52-Q55 PolarHBondContact OD1-N 3.08Å; D52-F56 WeakPolarHBondContact O-CB 3.47Å; D52-F56 PolarHBondContact O-N 2.92Å; D52-F56 VanDerWaalsContact O-N 3.12Å; D52-Y85 VanDerWaalsContact C-CD2 3.5Å
53	N	97.8	Very high	98	Very high	78 Å²	78	51 Å²	51	42%	0.417	28%	0.284	S	S	.	.	H	α-helix	trans	-68.4	-34.8	178.9	68.7	-60.6	0	0	0	112.4	F56 D57 Y85	N53-F56 WeakPolarHBondContact O-CB 3.48Å; N53-F56 PolarHBondContact O-N 3.33Å; N53-D57 WeakPolarHBondContact O-CB 3.47Å; N53-D57 VanDerWaalsContact O-CG 3.25Å; N53-D57 PolarHBondContact O-N 3.24Å; N53-Y85 HydrophobicContact CB-CD1 4.26Å; N53-Y85 HydrophobicContact CB-CE1 3.55Å
54	V	98.4	Very high	98.1	Very high	94 Å²	94	48.5 Å²	48.5	57%	0.57	26%	0.258	S	S	*	.	H	α-helix	trans	-64	-46.6	-178.9	177.6	0	0	0	0	109.9	D52 D57 K58	D52-V54 PolarHBondContact OD1-N 3.42Å; V54-D57 PolarHBondContact O-N 3.48Å; V54-K58 VanDerWaalsContact O-CB 3.31Å; V54-K58 WeakPolarHBondContact O-CB 3.11Å; V54-K58 PolarHBondContact O-N 3.07Å
55	Q	98.5	Very high	98.2	Very high	26 Å²	26	48.1 Å²	48.1	12%	0.121	25%	0.253	C	S	.	.	H	α-helix	trans	-66.3	-41.2	177.6	-172.4	56.3	22.8	0	0	111.2	Q50 I51 D52 K58 I59 I106 F107	Q50-Q55 HydrophobicContact CB-CG 4.44Å; I51-Q55 HydrophobicContact CG2-CB 3.86Å; I51-Q55 HydrophobicContact CG2-CG 4.16Å; D52-Q55 WeakPolarHBondContact OD1-CB 3.4Å; D52-Q55 PolarHBondContact OD1-N 3.08Å; Q55-K58 PolarHBondContact O-N 3.44Å; Q55-I59 HydrophobicContact CG-CD1 3.94Å; Q55-I59 WeakPolarHBondContact O-CD1 3.37Å; Q55-I59 VanDerWaalsContact O-CG1 3.25Å; Q55-I59 WeakPolarHBondContact O-CG1 3.45Å; Q55-I59 PolarHBondContact O-N 2.95Å; Q55-I106 PolarHBondContact NE2-O 2.88Å; Q55-F107 PolarHBondContact NE2-O 3.08Å
56	F	98.6	Very high	98.3	Very high	19 Å²	19	46.9 Å²	46.9	8%	0.083	25%	0.245	C	C	.	.	H	α-helix	trans	-57.7	-53.4	174.1	177.6	-90.2	0	0	0	112.3	D52 N53 K58 I59 M60 R79 Y85 I87	D52-F56 WeakPolarHBondContact O-CB 3.47Å; D52-F56 PolarHBondContact O-N 2.92Å; D52-F56 VanDerWaalsContact O-N 3.12Å; N53-F56 WeakPolarHBondContact O-CB 3.48Å; N53-F56 PolarHBondContact O-N 3.33Å; F56-K58 VanDerWaalsContact C-N 3.31Å; F56-K58 PolarHBondContact O-N 2.91Å; F56-I59 PolarHBondContact O-N 3.22Å; F56-M60 HydrophobicContact CD1-CG 4.15Å; F56-M60 HydrophobicContact CE1-CG 3.79Å; F56-M60 HydrophobicContact CE2-CG 4.32Å; F56-M60 HydrophobicContact CZ-CG 3.89Å; F56-M60 HydrophobicContact CZ-SD 4.41Å; F56-M60 WeakPolarHBondContact O-CG 3.39Å; F56-M60 PolarHBondContact O-N 3.27Å; F56-R79 HydrophobicContact CE2-CB 4.07Å; F56-R79 HydrophobicContact CZ-CB 3.65Å; F56-Y85 HydrophobicContact CB-CD1 4.17Å; F56-Y85 HydrophobicContact CB-CG 4.33Å; F56-Y85 HydrophobicContact CG-CD1 4.33Å; F56-I87 HydrophobicContact CD2-CD1 3.76Å; F56-I87 HydrophobicContact CD2-CG1 3.51Å; F56-I87 HydrophobicContact CE2-CD1 4.16Å; F56-I87 HydrophobicContact CE2-CG1 3.52Å; F56-I87 HydrophobicContact CG-CD1 4.42Å
57	D	98.4	Very high	98.3	Very high	92 Å²	92	45.6 Å²	45.6	49%	0.492	24%	0.236	S	C	.	.	H	α-helix	trans	-63.4	-38.8	-178.4	-70.4	-25.8	0	0	0	111.1	N53 V54 M60 S61	N53-D57 WeakPolarHBondContact O-CB 3.47Å; N53-D57 VanDerWaalsContact O-CG 3.25Å; N53-D57 PolarHBondContact O-N 3.24Å; V54-D57 PolarHBondContact O-N 3.48Å; D57-M60 PolarHBondContact O-N 3.27Å; D57-S61 WeakPolarHBondContact O-CB 3.4Å; D57-S61 PolarHBondContact O-N 2.94Å
58	K	98.6	Very high	98.4	Very high	78 Å²	78	53.9 Å²	53.9	34%	0.339	27%	0.272	S	S	.	.	H	α-helix	trans	-57.4	-53	173.1	179.3	-177.2	172.4	-171.4	0	111	V54 Q55 F56 M60 S61 Y62	V54-K58 VanDerWaalsContact O-CB 3.31Å; V54-K58 WeakPolarHBondContact O-CB 3.11Å; V54-K58 PolarHBondContact O-N 3.07Å; Q55-K58 PolarHBondContact O-N 3.44Å; F56-K58 VanDerWaalsContact C-N 3.31Å; F56-K58 PolarHBondContact O-N 2.91Å; K58-M60 PolarHBondContact O-N 3.26Å; K58-S61 WeakPolarHBondContact O-CB 3.19Å; K58-S61 PolarHBondContact O-N 3.44Å; K58-Y62 HydrophobicContact CD-CE2 4.31Å; K58-Y62 HydrophobicContact CG-CD2 4Å; K58-Y62 HydrophobicContact CG-CE2 3.71Å; K58-Y62 WeakPolarHBondContact O-CD2 3.31Å; K58-Y62 PolarHBondContact O-N 3.14Å
59	I	98.6	Very high	98.4	Very high	0 Å²	0	58.2 Å²	58.2	0%	0	29%	0.291	C	S	.	.	H	α-helix	trans	-63	-44.3	-178.6	-65.2	158	0	0	0	110.7	Q50 Q55 F56 S61 Y62 I63 I87 I106 G108 V110	Q50-I59 HydrophobicContact CG-CD1 3.71Å; Q55-I59 HydrophobicContact CG-CD1 3.94Å; Q55-I59 WeakPolarHBondContact O-CD1 3.37Å; Q55-I59 VanDerWaalsContact O-CG1 3.25Å; Q55-I59 WeakPolarHBondContact O-CG1 3.45Å; Q55-I59 PolarHBondContact O-N 2.95Å; F56-I59 PolarHBondContact O-N 3.22Å; I59-S61 VanDerWaalsContact C-N 3.27Å; I59-S61 PolarHBondContact O-N 2.7Å; I59-Y62 PolarHBondContact O-N 3.21Å; I59-Y62 VanDerWaalsContact O-N 3.12Å; I59-I63 HydrophobicContact CG2-CD1 4.03Å; I59-I63 WeakPolarHBondContact O-CG1 3.44Å; I59-I63 PolarHBondContact O-N 3.44Å; I59-I87 HydrophobicContact CB-CD1 3.61Å; I59-I87 HydrophobicContact CD1-CD1 3.97Å; I59-I87 HydrophobicContact CG1-CD1 4.43Å; I59-I87 HydrophobicContact CG2-CD1 3.48Å; I59-I87 VanDerWaalsContact CG2-CD1 3.48Å; I59-I87 HydrophobicContact CG2-CG2 4.46Å; I59-I106 HydrophobicContact CB-CG2 4.39Å; I59-I106 HydrophobicContact CG1-CG2 4.17Å; I59-I106 HydrophobicContact CG2-CG2 4.02Å; I59-G108 VanDerWaalsContact CD1-CA 3.5Å; I59-V110 HydrophobicContact CG2-CG2 4Å
60	M	98.5	Very high	98.4	Very high	35 Å²	35	59.1 Å²	59.1	17%	0.172	31%	0.308	C	S	.	.	H	α-helix	trans	-59.8	-39.3	176.6	-69.8	-55.1	-57.7	0	0	111.5	F56 D57 K58 Y62 I63 E64 I87	F56-M60 HydrophobicContact CD1-CG 4.15Å; F56-M60 HydrophobicContact CE1-CG 3.79Å; F56-M60 HydrophobicContact CE2-CG 4.32Å; F56-M60 HydrophobicContact CZ-CG 3.89Å; F56-M60 HydrophobicContact CZ-SD 4.41Å; F56-M60 WeakPolarHBondContact O-CG 3.39Å; F56-M60 PolarHBondContact O-N 3.27Å; D57-M60 PolarHBondContact O-N 3.27Å; K58-M60 PolarHBondContact O-N 3.26Å; M60-Y62 PolarHBondContact O-N 2.83Å; M60-I63 PolarHBondContact O-N 3.21Å; M60-I63 HydrophobicContact SD-CD1 4.07Å; M60-E64 WeakPolarHBondContact O-CG 3.3Å; M60-E64 PolarHBondContact O-N 3.37Å; M60-I87 HydrophobicContact CG-CD1 4.27Å; M60-I87 HydrophobicContact SD-CD1 4.16Å; M60-I87 HydrophobicContact SD-CG1 4.15Å; M60-I87 HydrophobicContact SD-CG2 4.23Å
61	S	98.6	Very high	98.4	Very high	61 Å²	61	59.4 Å²	59.4	43%	0.427	31%	0.31	S	S	.	.	H	α-helix	trans	-60.8	-43.2	173.3	-172.9	0	0	0	0	112.5	D57 K58 I59 E64 K65	D57-S61 WeakPolarHBondContact O-CB 3.4Å; D57-S61 PolarHBondContact O-N 2.94Å; K58-S61 WeakPolarHBondContact O-CB 3.19Å; K58-S61 PolarHBondContact O-N 3.44Å; I59-S61 VanDerWaalsContact C-N 3.27Å; I59-S61 PolarHBondContact O-N 2.7Å; S61-E64 PolarHBondContact O-N 2.82Å; S61-K65 WeakPolarHBondContact O-CG 3.33Å; S61-K65 PolarHBondContact O-N 3.11Å
62	Y	98.7	Very high	98.4	Very high	23 Å²	23	58.4 Å²	58.4	9%	0.09	30%	0.298	C	S	.	.	H	α-helix	trans	-63.6	-40.3	175.8	-82.4	-72.9	0	0	0	113.1	K58 I59 M60 E64 K65 G66 C100 I101 E104 I106	K58-Y62 HydrophobicContact CD-CE2 4.31Å; K58-Y62 HydrophobicContact CG-CD2 4Å; K58-Y62 HydrophobicContact CG-CE2 3.71Å; K58-Y62 WeakPolarHBondContact O-CD2 3.31Å; K58-Y62 PolarHBondContact O-N 3.14Å; I59-Y62 PolarHBondContact O-N 3.21Å; I59-Y62 VanDerWaalsContact O-N 3.12Å; M60-Y62 PolarHBondContact O-N 2.83Å; Y62-E64 VanDerWaalsContact C-N 3.3Å; Y62-E64 PolarHBondContact O-N 3.5Å; Y62-K65 HydrophobicContact CD1-CD 4.29Å; Y62-K65 PolarHBondContact O-N 3.48Å; Y62-G66 PolarHBondContact O-N 3.13Å; Y62-C100 VanDerWaalsContact CE1-SG 3.57Å; Y62-I101 VanDerWaalsContact O-CG2 3.27Å; Y62-I101 WeakPolarHBondContact O-CG2 3.49Å; Y62-E104 HydrophobicContact CE1-CB 3.76Å; Y62-E104 HydrophobicContact CE1-CG 4.48Å; Y62-E104 WeakPolarHBondContact CE1-OE2 3.49Å; Y62-E104 VanDerWaalsContact CZ-OE2 3.28Å; Y62-E104 PolarHBondContact OH-OE2 2.77Å; Y62-I106 HydrophobicContact CD1-CG1 4.11Å; Y62-I106 HydrophobicContact CD2-CB 4.49Å; Y62-I106 HydrophobicContact CD2-CG1 4.41Å; Y62-I106 HydrophobicContact CD2-CG2 4.23Å; Y62-I106 HydrophobicContact CG-CB 4.44Å; Y62-I106 HydrophobicContact CG-CG1 3.93Å; Y62-I106 HydrophobicContact CG-CG2 4.24Å
63	I	98.7	Very high	98.4	Very high	0 Å²	0	58.2 Å²	58.2	0%	0	30%	0.297	C	S	.	.	H	α-helix	trans	-58.9	-45.2	175	-69.3	166.7	0	0	0	110	I59 M60 G66 K67 G77 I87 T90 F92 V110	I59-I63 HydrophobicContact CG2-CD1 4.03Å; I59-I63 WeakPolarHBondContact O-CG1 3.44Å; I59-I63 PolarHBondContact O-N 3.44Å; M60-I63 PolarHBondContact O-N 3.21Å; M60-I63 HydrophobicContact SD-CD1 4.07Å; I63-G66 PolarHBondContact O-N 2.8Å; I63-K67 WeakPolarHBondContact O-CG 3.44Å; I63-K67 PolarHBondContact O-N 2.84Å; I63-K67 VanDerWaalsContact O-N 3.08Å; I63-G77 WeakPolarHBondContact CG2-O 3.43Å; I63-I87 HydrophobicContact CD1-CG2 3.98Å; I63-T90 HydrophobicContact CG1-CG2 4.42Å; I63-F92 HydrophobicContact CG2-CE2 4.43Å; I63-F92 HydrophobicContact CG2-CZ 4.19Å; I63-F92 WeakPolarHBondContact O-CZ 3.49Å; I63-V110 HydrophobicContact CD1-CG2 4.06Å; I63-V110 HydrophobicContact CG1-CG2 3.9Å
64	E	98.6	Very high	98.5	Very high	74 Å²	74	55.5 Å²	55.5	35%	0.346	28%	0.283	S	S	.	.	H	α-helix	trans	-65.4	-38.8	176.6	-69.3	-52.9	127.6	0	0	113	M60 S61 Y62 G66 K67 K68	M60-E64 WeakPolarHBondContact O-CG 3.3Å; M60-E64 PolarHBondContact O-N 3.37Å; S61-E64 PolarHBondContact O-N 2.82Å; Y62-E64 VanDerWaalsContact C-N 3.3Å; Y62-E64 PolarHBondContact O-N 3.5Å; E64-G66 VanDerWaalsContact C-N 3.32Å; E64-G66 PolarHBondContact O-N 3.17Å; E64-K67 PolarHBondContact O-N 2.94Å; E64-K67 IonicContact OE1-NZ 3.43Å; E64-K67 PolarHBondContact OE1-NZ 3.29Å; E64-K68 WeakPolarHBondContact O-CB 3.38Å; E64-K68 VanDerWaalsContact O-CG 3.31Å; E64-K68 WeakPolarHBondContact O-CG 3.33Å; E64-K68 PolarHBondContact O-N 3Å
65	K	98.5	Very high	98.5	Very high	77 Å²	77	52.1 Å²	52.1	34%	0.335	26%	0.263	S	S	.	.	H	α-helix	trans	-59.6	-44	172.4	-70.9	176.3	-174.4	177.6	0	111.2	S61 Y62 K68 Q69 C100	S61-K65 WeakPolarHBondContact O-CG 3.33Å; S61-K65 PolarHBondContact O-N 3.11Å; Y62-K65 HydrophobicContact CD1-CD 4.29Å; Y62-K65 PolarHBondContact O-N 3.48Å; K65-K68 PolarHBondContact O-N 3.41Å; K65-Q69 WeakPolarHBondContact O-CB 3.4Å; K65-Q69 WeakPolarHBondContact O-CG 3.34Å; K65-Q69 PolarHBondContact O-N 3.1Å; K65-C100 HydrophobicContact CD-CB 4.45Å
66	G	98.5	Very high	98.5	Very high	0 Å²	0	51.6 Å²	51.6	0%	0	27%	0.265	C	S	.	.	H	α-helix	trans	-57.5	-50.2	176.9	0	0	0	0	0	112.6	Y62 I63 E64 K68 Q69 G70 A71	Y62-G66 PolarHBondContact O-N 3.13Å; I63-G66 PolarHBondContact O-N 2.8Å; E64-G66 VanDerWaalsContact C-N 3.32Å; E64-G66 PolarHBondContact O-N 3.17Å; G66-K68 PolarHBondContact O-N 2.91Å; G66-Q69 PolarHBondContact O-N 3.33Å; G66-G70 PolarHBondContact O-N 3.4Å; G66-A71 WeakPolarHBondContact O-CB 3.17Å; G66-A71 PolarHBondContact O-N 2.83Å; G66-A71 VanDerWaalsContact O-N 3.16Å
67	K	98.2	Very high	98.5	Very high	69 Å²	69	50.7 Å²	50.7	30%	0.3	26%	0.261	S	S	.	.	H	α-helix	trans	-56.4	-47.7	174.8	-66.9	169.6	-176	167.3	0	111.5	I63 E64 Q69 G70 L73 G77 F92	I63-K67 WeakPolarHBondContact O-CG 3.44Å; I63-K67 PolarHBondContact O-N 2.84Å; I63-K67 VanDerWaalsContact O-N 3.08Å; E64-K67 PolarHBondContact O-N 2.94Å; E64-K67 IonicContact OE1-NZ 3.43Å; E64-K67 PolarHBondContact OE1-NZ 3.29Å; K67-Q69 VanDerWaalsContact C-N 3.32Å; K67-Q69 PolarHBondContact O-N 3.2Å; K67-G70 PolarHBondContact O-N 3.41Å; K67-L73 VanDerWaalsContact CE-CD2 3.44Å; K67-G77 PolarHBondContact NZ-O 2.81Å; K67-G77 VanDerWaalsContact NZ-O 3.14Å; K67-F92 HydrophobicContact CG-CE1 4.19Å; K67-F92 HydrophobicContact CG-CZ 4.21Å
68	K	98.4	Very high	98.5	Very high	175 Å²	175	49.2 Å²	49.2	76%	0.761	26%	0.257	S	S	*	.	H	α-helix	trans	-65.7	-31.7	-178.5	-75.3	173.3	178.4	176.9	0	113.7	E64 K65 G66 G70	E64-K68 WeakPolarHBondContact O-CB 3.38Å; E64-K68 VanDerWaalsContact O-CG 3.31Å; E64-K68 WeakPolarHBondContact O-CG 3.33Å; E64-K68 PolarHBondContact O-N 3Å; K65-K68 PolarHBondContact O-N 3.41Å; G66-K68 PolarHBondContact O-N 2.91Å; K68-G70 PolarHBondContact O-N 2.93Å
69	Q	98.2	Very high	98.4	Very high	92 Å²	92	50.9 Å²	50.9	43%	0.43	26%	0.261	S	S	.	.	T	Hydrogen-bonded Turn	trans	-83.5	2.7	178.2	-70.6	-177.7	-37.2	0	0	113.3	K65 G66 K67 M99	K65-Q69 WeakPolarHBondContact O-CB 3.4Å; K65-Q69 WeakPolarHBondContact O-CG 3.34Å; K65-Q69 PolarHBondContact O-N 3.1Å; G66-Q69 PolarHBondContact O-N 3.33Å; K67-Q69 VanDerWaalsContact C-N 3.32Å; K67-Q69 PolarHBondContact O-N 3.2Å; Q69-M99 HydrophobicContact CB-CG 4.22Å; Q69-M99 WeakPolarHBondContact O-CE 3.46Å
70	G	97.6	Very high	98.4	Very high	57 Å²	57	53.6 Å²	53.6	59%	0.588	28%	0.275	S	S	*	.	T	Hydrogen-bonded Turn	trans	89.2	8.7	173.6	0	0	0	0	0	114.8	G66 K67 K68	G66-G70 PolarHBondContact O-N 3.4Å; K67-G70 PolarHBondContact O-N 3.41Å; K68-G70 PolarHBondContact O-N 2.93Å
71	A	98.3	Very high	98.2	Very high	7 Å²	7	54.3 Å²	54.3	6%	0.058	29%	0.291	C	S	.	.			trans	-62.9	137.3	169.6	0	0	0	0	0	109.9	G66 L73 F92 V95 M99 I101	G66-A71 WeakPolarHBondContact O-CB 3.17Å; G66-A71 PolarHBondContact O-N 2.83Å; G66-A71 VanDerWaalsContact O-N 3.16Å; A71-L73 PolarHBondContact O-N 3.07Å; A71-F92 HydrophobicContact CB-CB 4.37Å; A71-F92 HydrophobicContact CB-CD1 3.53Å; A71-F92 HydrophobicContact CB-CE1 4.1Å; A71-F92 HydrophobicContact CB-CG 4.19Å; A71-V95 HydrophobicContact CB-CG2 4.12Å; A71-M99 HydrophobicContact CB-CE 4.43Å; A71-M99 HydrophobicContact CB-SD 3.73Å; A71-I101 HydrophobicContact CB-CD1 3.72Å
72	R	98.6	Very high	98	Very high	108 Å²	108	59.9 Å²	59.9	41%	0.408	31%	0.31	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-76.9	112.1	177	-178.4	169.7	59.4	107.7	-3.9	109.7	V74 F92 A93 D94	R72-V74 PolarHBondContact O-N 2.94Å; R72-F92 CarbonylContact O-C 3.59Å; R72-F92 WeakPolarHBondContact O-CA 3.35Å; R72-A93 PolarHBondContact N-O 3.34Å; R72-A93 PolarHBondContact O-N 2.89Å; R72-D94 HydrophobicContact CB-CB 4.45Å; R72-D94 IonicContact CZ-OD2 2.71Å; R72-D94 IonicContact NE-OD2 2.76Å; R72-D94 PolarHBondContact NE-OD2 3.25Å; R72-D94 IonicContact NH2-OD2 2.72Å; R72-D94 PolarHBondContact NH2-OD2 2.95Å
73	L	98.7	Very high	97.8	Very high	58 Å²	58	67.5 Å²	67.5	30%	0.304	34%	0.344	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-71.4	110.2	169.2	-179.9	62.5	0	0	0	109.5	K67 A71 T75 T90 F92	K67-L73 VanDerWaalsContact CE-CD2 3.44Å; A71-L73 PolarHBondContact O-N 3.07Å; L73-T75 VanDerWaalsContact CD1-O 3.31Å; L73-T75 WeakPolarHBondContact CD1-O 3.19Å; L73-T90 HydrophobicContact CD1-CG2 3.66Å; L73-F92 HydrophobicContact CB-CD1 4.24Å; L73-F92 HydrophobicContact CB-CE1 3.82Å; L73-F92 HydrophobicContact CD1-CD1 4.37Å; L73-F92 HydrophobicContact CD1-CE1 3.99Å; L73-F92 HydrophobicContact CD1-CE2 4.35Å; L73-F92 HydrophobicContact CD1-CZ 3.97Å; L73-F92 HydrophobicContact CG-CE1 4.49Å
74	V	98.7	Very high	97.8	Very high	21 Å²	21	69.1 Å²	69.1	13%	0.127	36%	0.361	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-84.8	-41.3	-177	-178.4	0	0	0	0	111.4	V25 K29 R72 V91 A93	V25-V74 HydrophobicContact CG1-CG1 3.99Å; V25-V74 HydrophobicContact CG1-CG2 3.9Å; K29-V74 HydrophobicContact CB-CG1 3.76Å; K29-V74 HydrophobicContact CD-CG1 3.84Å; K29-V74 HydrophobicContact CG-CG1 3.89Å; R72-V74 PolarHBondContact O-N 2.94Å; V74-V91 HydrophobicContact CB-CB 4.23Å; V74-V91 HydrophobicContact CB-CG1 4.16Å; V74-V91 WeakPolarHBondContact CB-O 3.47Å; V74-V91 HydrophobicContact CG2-CG1 4.34Å; V74-V91 PolarHBondContact N-O 2.88Å; V74-A93 HydrophobicContact CG2-CB 3.43Å; V74-A93 VanDerWaalsContact CG2-CB 3.43Å
75	T	98.7	Very high	97.7	Very high	23 Å²	23	70 Å²	70	14%	0.141	36%	0.362	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-161.9	165.1	175.7	-163.5	0	0	0	0	110.9	K29 A32 E33 L73 T90 V91	K29-T75 HydrophobicContact CG-CG2 4.18Å; A32-T75 HydrophobicContact CB-CG2 3.75Å; E33-T75 HydrophobicContact CG-CG2 4.16Å; E33-T75 WeakPolarHBondContact CG-OG1 3.38Å; E33-T75 WeakPolarHBondContact OE1-CB 3.46Å; E33-T75 PolarHBondContact OE1-OG1 2.89Å; L73-T75 VanDerWaalsContact CD1-O 3.31Å; L73-T75 WeakPolarHBondContact CD1-O 3.19Å; T75-T90 WeakPolarHBondContact O-CA 3.34Å; T75-V91 HydrophobicContact CG2-CB 4.14Å; T75-V91 HydrophobicContact CG2-CG2 4.05Å; T75-V91 PolarHBondContact O-N 3.06Å; T75-V91 VanDerWaalsContact O-N 3.13Å
76	G	98.4	Very high	97.7	Very high	15 Å²	15	67.9 Å²	67.9	16%	0.155	35%	0.353	C	S	.	.			trans	71.2	-135.6	-178.1	0	0	0	0	0	112.8	C78 P89	G76-C78 VanDerWaalsContact C-N 3.33Å; G76-P89 WeakPolarHBondContact CA-O 3.43Å
77	G	98.1	Very high	97.7	Very high	0 Å²	0	67.9 Å²	67.9	0%	0	35%	0.353	C	S	.	.			trans	79.5	13.7	175.9	0	0	0	0	0	114.9	I63 K67 T90	I63-G77 WeakPolarHBondContact CG2-O 3.43Å; K67-G77 PolarHBondContact NZ-O 2.81Å; K67-G77 VanDerWaalsContact NZ-O 3.14Å; G77-T90 WeakPolarHBondContact CA-OG1 3.38Å; G77-T90 PolarHBondContact N-OG1 3.12Å
78	C	98.2	Very high	97.7	Very high	61 Å²	61	67.9 Å²	67.9	41%	0.412	35%	0.354	S	S	.	.	S	Bend	trans	-136.1	163.8	-179.6	-64.9	0	0	0	0	111.5	G76 Q88	G76-C78 VanDerWaalsContact C-N 3.33Å; C78-Q88 WeakPolarHBondContact O-CB 3.29Å; C78-Q88 WeakPolarHBondContact O-CG 3.41Å; C78-Q88 PolarHBondContact O-N 3.26Å
79	R	97.9	Very high	97.7	Very high	113 Å²	113	60.1 Å²	60.1	43%	0.426	32%	0.321	S	S	.	.	B	Isolated β-bridge	trans	-71.7	158	168.4	78	175.6	-65	-176.6	2.9	111.6	F56 G81 E82 F86	F56-R79 HydrophobicContact CE2-CB 4.07Å; F56-R79 HydrophobicContact CZ-CB 3.65Å; R79-G81 PolarHBondContact NE-O 3Å; R79-G81 PolarHBondContact NH2-O 3.04Å; R79-E82 VanDerWaalsContact NH2-CA 3.35Å; R79-E82 PolarHBondContact NH2-O 3.49Å; R79-F86 CarbonylContact C-O 3.44Å; R79-F86 WeakPolarHBondContact CA-O 2.83Å
80	I	97.3	Very high	97.8	Very high	56 Å²	56	55.7 Å²	55.7	29%	0.287	30%	0.301	S	S	.	.			trans	-111	127.1	169	-58.3	179	0	0	0	109.3	V37 F86 Q88	V37-I80 HydrophobicContact CB-CD1 3.52Å; V37-I80 HydrophobicContact CG1-CD1 3.77Å; V37-I80 HydrophobicContact CG2-CD1 3.68Å; I80-F86 HydrophobicContact CB-CB 3.89Å; I80-F86 PolarHBondContact N-O 3.14Å; I80-Q88 HydrophobicContact CD1-CG 3.71Å; I80-Q88 HydrophobicContact CG1-CB 4.47Å; I80-Q88 HydrophobicContact CG1-CG 3.41Å; I80-Q88 VanDerWaalsContact CG1-CG 3.41Å
81	G	95.3	Very high	97.8	Very high	51 Å²	51	53 Å²	53	53%	0.526	27%	0.273	S	S	.	.	S	Bend	trans	62.9	-171.9	179.6	0	0	0	0	0	113.7	R79	R79-G81 PolarHBondContact NE-O 3Å; R79-G81 PolarHBondContact NH2-O 3.04Å
82	E	94.4	Very high	97.8	Very high	177 Å²	177	52.7 Å²	52.7	83%	0.827	27%	0.27	S	S	*	.	S	Bend	trans	-107.8	-17.6	-177.2	-63.5	-175	170	0	0	113.6	R79	R79-E82 VanDerWaalsContact NH2-CA 3.35Å; R79-E82 PolarHBondContact NH2-O 3.49Å
83	K	95.3	Very high	97.8	Very high	183 Å²	183	47.6 Å²	47.6	80%	0.796	25%	0.251	S	S	*	.	S	Bend	trans	-115.3	147	-179.8	-66.8	-175.3	-179.9	-180	0	111.2	F86	K83-F86 WeakPolarHBondContact O-CD2 3.33Å
84	G	96.9	Very high	97.8	Very high	35 Å²	35	48.4 Å²	48.4	36%	0.361	26%	0.256	S	S	.	.	S	Bend	trans	71.7	174.5	-173.4	0	0	0	0	0	112.7	F86	G84-F86 PolarHBondContact O-N 3.08Å
85	Y	98.4	Very high	97.8	Very high	92 Å²	92	47.8 Å²	47.8	36%	0.361	25%	0.252	S	S	.	.			trans	-104.9	50.2	-169.8	-53.9	-53.4	0	0	0	111.5	Q50 D52 N53 F56	Q50-Y85 WeakPolarHBondContact CG-O 3.42Å; Q50-Y85 PolarHBondContact N-O 2.88Å; D52-Y85 VanDerWaalsContact C-CD2 3.5Å; N53-Y85 HydrophobicContact CB-CD1 4.26Å; N53-Y85 HydrophobicContact CB-CE1 3.55Å; F56-Y85 HydrophobicContact CB-CD1 4.17Å; F56-Y85 HydrophobicContact CB-CG 4.33Å; F56-Y85 HydrophobicContact CG-CD1 4.33Å
86	F	98.3	Very high	97.7	Very high	32 Å²	32	49.2 Å²	49.2	14%	0.14	26%	0.263	C	S	.	.			trans	-88.1	126.4	-174	-60.4	-80.1	0	0	0	111.8	V37 G38 P49 R79 I80 K83 G84	V37-F86 HydrophobicContact CG1-CB 4.26Å; V37-F86 HydrophobicContact CG1-CD1 3.81Å; V37-F86 HydrophobicContact CG1-CG 4.46Å; G38-F86 WeakPolarHBondContact O-CE1 3.5Å; P49-F86 HydrophobicContact CB-CD1 3.76Å; P49-F86 HydrophobicContact CB-CD2 4.43Å; P49-F86 HydrophobicContact CB-CE1 3.59Å; P49-F86 HydrophobicContact CB-CE2 4.28Å; P49-F86 HydrophobicContact CB-CG 4.19Å; P49-F86 HydrophobicContact CB-CZ 3.87Å; P49-F86 VanDerWaalsContact CD-CE1 3.45Å; P49-F86 HydrophobicContact CG-CE1 3.93Å; P49-F86 HydrophobicContact CG-CZ 4.07Å; P49-F86 VanDerWaalsContact N-CE1 3.29Å; R79-F86 CarbonylContact C-O 3.44Å; R79-F86 WeakPolarHBondContact CA-O 2.83Å; I80-F86 HydrophobicContact CB-CB 3.89Å; I80-F86 PolarHBondContact N-O 3.14Å; K83-F86 WeakPolarHBondContact O-CD2 3.33Å; G84-F86 PolarHBondContact O-N 3.08Å
87	I	98.5	Very high	97.7	Very high	0 Å²	0	50.7 Å²	50.7	0%	0	27%	0.267	C	S	.	.	B	Isolated β-bridge	trans	-116.9	136.1	176.9	-58.3	179.9	0	0	0	108.3	Q47 Q50 F56 I59 M60 I63 P109	Q47-I87 PolarHBondContact NE2-O 2.57Å; Q50-I87 HydrophobicContact CG-CD1 3.76Å; Q50-I87 HydrophobicContact CG-CG1 4.14Å; F56-I87 HydrophobicContact CD2-CD1 3.76Å; F56-I87 HydrophobicContact CD2-CG1 3.51Å; F56-I87 HydrophobicContact CE2-CD1 4.16Å; F56-I87 HydrophobicContact CE2-CG1 3.52Å; F56-I87 HydrophobicContact CG-CD1 4.42Å; I59-I87 HydrophobicContact CB-CD1 3.61Å; I59-I87 HydrophobicContact CD1-CD1 3.97Å; I59-I87 HydrophobicContact CG1-CD1 4.43Å; I59-I87 HydrophobicContact CG2-CD1 3.48Å; I59-I87 VanDerWaalsContact CG2-CD1 3.48Å; I59-I87 HydrophobicContact CG2-CG2 4.46Å; M60-I87 HydrophobicContact CG-CD1 4.27Å; M60-I87 HydrophobicContact SD-CD1 4.16Å; M60-I87 HydrophobicContact SD-CG1 4.15Å; M60-I87 HydrophobicContact SD-CG2 4.23Å; I63-I87 HydrophobicContact CD1-CG2 3.98Å; I87-P109 HydrophobicContact CB-CG 4.02Å; I87-P109 HydrophobicContact CG2-CG 4.03Å
88	Q	98.3	Very high	97.7	Very high	69 Å²	69	57.3 Å²	57.3	32%	0.322	30%	0.298	S	S	.	.			trans	-61.8	139.7	173.6	-70.9	-178.7	-41	0	0	110.7	C78 I80 T90	C78-Q88 WeakPolarHBondContact O-CB 3.29Å; C78-Q88 WeakPolarHBondContact O-CG 3.41Å; C78-Q88 PolarHBondContact O-N 3.26Å; I80-Q88 HydrophobicContact CD1-CG 3.71Å; I80-Q88 HydrophobicContact CG1-CB 4.47Å; I80-Q88 HydrophobicContact CG1-CG 3.41Å; I80-Q88 VanDerWaalsContact CG1-CG 3.41Å; Q88-T90 PolarHBondContact O-N 3.5Å; Q88-T90 VanDerWaalsContact O-N 3.08Å; Q88-T90 PolarHBondContact O-OG1 3.2Å
89	P	98.4	Very high	97.7	Very high	12 Å²	12	55.2 Å²	55.2	8%	0.078	28%	0.283	C	S	.	.			trans	-54.3	119.7	167.1	-20.8	33.3	0	0	0	108.9	A32 R35 V37 G76	A32-P89 HydrophobicContact CB-CB 3.98Å; R35-P89 HydrophobicContact CB-CG 3.99Å; R35-P89 HydrophobicContact CG-CG 3.89Å; V37-P89 HydrophobicContact CG2-CG 4.04Å; G76-P89 WeakPolarHBondContact CA-O 3.43Å
90	T	98.7	Very high	97.7	Very high	0 Å²	0	50.4 Å²	50.4	0%	0	27%	0.266	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-114.1	133.6	-167.1	-59.9	0	0	0	0	109.8	I63 L73 T75 G77 Q88 F92 P109 V110 Q111	I63-T90 HydrophobicContact CG1-CG2 4.42Å; L73-T90 HydrophobicContact CD1-CG2 3.66Å; T75-T90 WeakPolarHBondContact O-CA 3.34Å; G77-T90 WeakPolarHBondContact CA-OG1 3.38Å; G77-T90 PolarHBondContact N-OG1 3.12Å; Q88-T90 PolarHBondContact O-N 3.5Å; Q88-T90 VanDerWaalsContact O-N 3.08Å; Q88-T90 PolarHBondContact O-OG1 3.2Å; T90-F92 HydrophobicContact CG2-CD2 4.1Å; T90-F92 HydrophobicContact CG2-CE2 3.83Å; T90-P109 PolarHBondContact N-O 3.06Å; T90-V110 HydrophobicContact CG2-CG1 4.14Å; T90-V110 WeakPolarHBondContact O-CA 3.33Å; T90-Q111 PolarHBondContact O-N 2.84Å
91	V	98.7	Very high	97.7	Very high	1 Å²	1	48 Å²	48	1%	0.006	25%	0.254	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-125.2	120.7	177	-179.2	0	0	0	0	108.9	A32 V74 T75 I113	A32-V91 HydrophobicContact CB-CG2 3.72Å; V74-V91 HydrophobicContact CB-CB 4.23Å; V74-V91 HydrophobicContact CB-CG1 4.16Å; V74-V91 WeakPolarHBondContact CB-O 3.47Å; V74-V91 HydrophobicContact CG2-CG1 4.34Å; V74-V91 PolarHBondContact N-O 2.88Å; T75-V91 HydrophobicContact CG2-CB 4.14Å; T75-V91 HydrophobicContact CG2-CG2 4.05Å; T75-V91 PolarHBondContact O-N 3.06Å; T75-V91 VanDerWaalsContact O-N 3.13Å; V91-I113 HydrophobicContact CG1-CD1 3.43Å; V91-I113 VanDerWaalsContact CG1-CD1 3.43Å; V91-I113 HydrophobicContact CG1-CG1 4.12Å
92	F	98.8	Very high	97.8	Very high	0 Å²	0	46 Å²	46	0%	0	23%	0.232	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-101.1	135.2	166.6	-77.1	-77.6	0	0	0	109.9	I63 K67 A71 R72 L73 T90 V95 I101 V110 Q111 I113	I63-F92 HydrophobicContact CG2-CE2 4.43Å; I63-F92 HydrophobicContact CG2-CZ 4.19Å; I63-F92 WeakPolarHBondContact O-CZ 3.49Å; K67-F92 HydrophobicContact CG-CE1 4.19Å; K67-F92 HydrophobicContact CG-CZ 4.21Å; A71-F92 HydrophobicContact CB-CB 4.37Å; A71-F92 HydrophobicContact CB-CD1 3.53Å; A71-F92 HydrophobicContact CB-CE1 4.1Å; A71-F92 HydrophobicContact CB-CG 4.19Å; R72-F92 CarbonylContact O-C 3.59Å; R72-F92 WeakPolarHBondContact O-CA 3.35Å; L73-F92 HydrophobicContact CB-CD1 4.24Å; L73-F92 HydrophobicContact CB-CE1 3.82Å; L73-F92 HydrophobicContact CD1-CD1 4.37Å; L73-F92 HydrophobicContact CD1-CE1 3.99Å; L73-F92 HydrophobicContact CD1-CE2 4.35Å; L73-F92 HydrophobicContact CD1-CZ 3.97Å; L73-F92 HydrophobicContact CG-CE1 4.49Å; T90-F92 HydrophobicContact CG2-CD2 4.1Å; T90-F92 HydrophobicContact CG2-CE2 3.83Å; F92-V95 HydrophobicContact CB-CG2 3.71Å; F92-I101 HydrophobicContact CB-CD1 4.05Å; F92-I101 HydrophobicContact CD1-CD1 4.27Å; F92-I101 HydrophobicContact CD2-CD1 3.91Å; F92-I101 HydrophobicContact CE2-CD1 4.42Å; F92-I101 HydrophobicContact CG-CD1 3.82Å; F92-V110 HydrophobicContact CD2-CG1 3.85Å; F92-V110 HydrophobicContact CE2-CG1 4.08Å; F92-Q111 PolarHBondContact N-O 2.94Å; F92-I113 PolarHBondContact O-N 2.91Å
93	A	98.6	Very high	98	Very high	0 Å²	0	42.1 Å²	42.1	0%	0	21%	0.213	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-115.8	171.4	168.4	0	0	0	0	0	109.9	V25 R72 V74 V95	V25-A93 HydrophobicContact CG1-CB 4.02Å; V25-A93 HydrophobicContact CG2-CB 4.02Å; R72-A93 PolarHBondContact N-O 3.34Å; R72-A93 PolarHBondContact O-N 2.89Å; V74-A93 HydrophobicContact CG2-CB 3.43Å; V74-A93 VanDerWaalsContact CG2-CB 3.43Å; A93-V95 PolarHBondContact O-N 3.15Å
94	D	97.6	Very high	98.1	Very high	76 Å²	76	37.3 Å²	37.3	41%	0.406	19%	0.193	S	C	.	.	S	Bend	trans	55.7	35.1	-179.7	-48.7	-53.9	0	0	0	112.2	Y21 R72	Y21-D94 PolarHBondContact OH-N 3.37Å; Y21-D94 PolarHBondContact OH-OD1 3.32Å; R72-D94 HydrophobicContact CB-CB 4.45Å; R72-D94 IonicContact CZ-OD2 2.71Å; R72-D94 IonicContact NE-OD2 2.76Å; R72-D94 PolarHBondContact NE-OD2 3.25Å; R72-D94 IonicContact NH2-OD2 2.72Å; R72-D94 PolarHBondContact NH2-OD2 2.95Å
95	V	98.5	Very high	98.1	Very high	8 Å²	8	39.2 Å²	39.2	5%	0.048	19%	0.193	C	C	.	.			trans	-78.9	130.7	178.6	-179.7	0	0	0	0	109.3	A71 F92 A93 M99 I101 A102 C112 L114	A71-V95 HydrophobicContact CB-CG2 4.12Å; F92-V95 HydrophobicContact CB-CG2 3.71Å; A93-V95 PolarHBondContact O-N 3.15Å; V95-M99 HydrophobicContact CB-SD 4.37Å; V95-M99 HydrophobicContact CG1-CB 4.33Å; V95-M99 HydrophobicContact CG1-SD 3.94Å; V95-I101 HydrophobicContact CG1-CD1 4.26Å; V95-I101 HydrophobicContact CG1-CG1 4.17Å; V95-I101 HydrophobicContact CG2-CD1 3.97Å; V95-A102 HydrophobicContact CG1-CB 3.83Å; V95-C112 HydrophobicContact CB-CB 4.4Å; V95-C112 HydrophobicContact CG1-CB 4.22Å; V95-C112 HydrophobicContact CG2-CB 4.02Å; V95-L114 HydrophobicContact CB-CG 4.18Å; V95-L114 HydrophobicContact CG1-CD2 4.36Å; V95-L114 HydrophobicContact CG1-CG 4.4Å
96	S	97.7	Very high	98.1	Very high	53 Å²	53	35.1 Å²	35.1	37%	0.371	18%	0.177	S	C	.	.			trans	-95.2	155.1	170.6	74	0	0	0	0	111.1	E98 M99 A102	S96-E98 PolarHBondContact O-N 3.3Å; S96-E98 VanDerWaalsContact O-N 3.11Å; S96-M99 WeakPolarHBondContact O-CB 3.47Å; S96-M99 PolarHBondContact O-N 2.78Å; S96-M99 VanDerWaalsContact O-N 3.12Å; S96-M99 WeakPolarHBondContact OG-CG 3.29Å; S96-A102 WeakPolarHBondContact O-CB 3.43Å
97	D	98	Very high	98	Very high	46 Å²	46	36.2 Å²	36.2	25%	0.246	18%	0.182	C	C	.	.	T	Hydrogen-bonded Turn	trans	-63.8	-19.6	-176.9	-55.9	-34.5	0	0	0	112.6	K103 L114 R125	D97-K103 WeakPolarHBondContact O-CE 3.25Å; D97-K103 WeakPolarHBondContact O-CG 2.98Å; D97-L114 WeakPolarHBondContact OD1-CD2 3.29Å; D97-R125 IonicContact OD1-CZ 2.7Å; D97-R125 IonicContact OD1-NE 2.66Å; D97-R125 PolarHBondContact OD1-NE 3.46Å; D97-R125 IonicContact OD1-NH2 2.73Å; D97-R125 PolarHBondContact OD1-NH2 3.5Å; D97-R125 IonicContact OD2-CZ 3.22Å; D97-R125 IonicContact OD2-NE 3.38Å; D97-R125 PolarHBondContact OD2-NE 2.92Å; D97-R125 IonicContact OD2-NH2 3.43Å; D97-R125 PolarHBondContact OD2-NH2 2.81Å
98	E	97.3	Very high	98	Very high	138 Å²	138	36.3 Å²	36.3	65%	0.645	18%	0.183	S	C	*	.	T	Hydrogen-bonded Turn	trans	-78.8	-17.2	179.3	-63	-53.6	141.9	0	0	114.1	S96 K103	S96-E98 PolarHBondContact O-N 3.3Å; S96-E98 VanDerWaalsContact O-N 3.11Å; E98-K103 IonicContact OE2-NZ 3.33Å; E98-K103 PolarHBondContact OE2-NZ 3.44Å
99	M	98.3	Very high	98	Very high	18 Å²	18	33 Å²	33	9%	0.089	17%	0.168	C	C	.	.	S	Bend	trans	-69.7	144.4	-177.5	-62.5	-179.5	-176.8	0	0	111.5	Q69 A71 V95 S96 I101 A102 K103	Q69-M99 HydrophobicContact CB-CG 4.22Å; Q69-M99 WeakPolarHBondContact O-CE 3.46Å; A71-M99 HydrophobicContact CB-CE 4.43Å; A71-M99 HydrophobicContact CB-SD 3.73Å; V95-M99 HydrophobicContact CB-SD 4.37Å; V95-M99 HydrophobicContact CG1-CB 4.33Å; V95-M99 HydrophobicContact CG1-SD 3.94Å; S96-M99 WeakPolarHBondContact O-CB 3.47Å; S96-M99 PolarHBondContact O-N 2.78Å; S96-M99 VanDerWaalsContact O-N 3.12Å; S96-M99 WeakPolarHBondContact OG-CG 3.29Å; M99-I101 VanDerWaalsContact C-N 3.25Å; M99-I101 HydrophobicContact CB-CG1 4.05Å; M99-I101 PolarHBondContact O-N 2.79Å; M99-A102 WeakPolarHBondContact O-CB 3.4Å; M99-A102 PolarHBondContact O-N 2.82Å; M99-K103 PolarHBondContact O-N 2.66Å
100	C	97.8	Very high	98	Very high	12 Å²	12	32.6 Å²	32.6	8%	0.081	17%	0.165	C	C	.	.	H	α-helix	trans	-56.3	-41.1	178.2	178.3	0	0	0	0	111.3	Y62 K65 A102 K103 E104	Y62-C100 VanDerWaalsContact CE1-SG 3.57Å; K65-C100 HydrophobicContact CD-CB 4.45Å; C100-A102 PolarHBondContact O-N 3.02Å; C100-K103 PolarHBondContact O-N 2.91Å; C100-K103 VanDerWaalsContact O-N 3.15Å; C100-E104 PolarHBondContact O-N 2.84Å; C100-E104 PolarHBondContact SG-OE1 3Å
101	I	98.3	Very high	97.9	Very high	4 Å²	4	33.9 Å²	33.9	2%	0.021	17%	0.171	C	C	.	.	H	α-helix	trans	-67.4	-14.4	177.4	63	169.5	0	0	0	114.3	Y62 A71 F92 V95 M99 I106 C112	Y62-I101 VanDerWaalsContact O-CG2 3.27Å; Y62-I101 WeakPolarHBondContact O-CG2 3.49Å; A71-I101 HydrophobicContact CB-CD1 3.72Å; F92-I101 HydrophobicContact CB-CD1 4.05Å; F92-I101 HydrophobicContact CD1-CD1 4.27Å; F92-I101 HydrophobicContact CD2-CD1 3.91Å; F92-I101 HydrophobicContact CE2-CD1 4.42Å; F92-I101 HydrophobicContact CG-CD1 3.82Å; V95-I101 HydrophobicContact CG1-CD1 4.26Å; V95-I101 HydrophobicContact CG1-CG1 4.17Å; V95-I101 HydrophobicContact CG2-CD1 3.97Å; M99-I101 VanDerWaalsContact C-N 3.25Å; M99-I101 HydrophobicContact CB-CG1 4.05Å; M99-I101 PolarHBondContact O-N 2.79Å; I101-I106 HydrophobicContact CB-CD1 4.06Å; I101-I106 HydrophobicContact CG2-CD1 4.15Å; I101-C112 PolarHBondContact O-SG 3.07Å
102	A	97.8	Very high	97.9	Very high	10 Å²	10	33.9 Å²	33.9	8%	0.083	17%	0.171	C	C	.	.	H	α-helix	trans	-93.2	-27.5	173.5	0	0	0	0	0	112.1	R13 V95 S96 M99 C100	R13-A102 VanDerWaalsContact CD-O 3.29Å; R13-A102 WeakPolarHBondContact CD-O 3.36Å; V95-A102 HydrophobicContact CG1-CB 3.83Å; S96-A102 WeakPolarHBondContact O-CB 3.43Å; M99-A102 WeakPolarHBondContact O-CB 3.4Å; M99-A102 PolarHBondContact O-N 2.82Å; C100-A102 PolarHBondContact O-N 3.02Å
103	K	97.1	Very high	97.9	Very high	96 Å²	96	33.9 Å²	33.9	42%	0.417	17%	0.171	S	C	.	.	H	α-helix	trans	-94.7	-38.4	-174.2	-68.3	-177.3	176.7	173.8	0	113.8	D97 E98 M99 C100 Y131	D97-K103 WeakPolarHBondContact O-CE 3.25Å; D97-K103 WeakPolarHBondContact O-CG 2.98Å; E98-K103 IonicContact OE2-NZ 3.33Å; E98-K103 PolarHBondContact OE2-NZ 3.44Å; M99-K103 PolarHBondContact O-N 2.66Å; C100-K103 PolarHBondContact O-N 2.91Å; C100-K103 VanDerWaalsContact O-N 3.15Å; K103-Y131 WeakPolarHBondContact O-CE2 3.46Å
104	E	97.1	Very high	97.9	Very high	81 Å²	81	33.9 Å²	33.9	38%	0.379	17%	0.171	S	C	.	.	S	Bend	trans	-101.9	148.9	-169.7	-66.5	177.9	-141.4	0	0	112.3	Y62 C100 I106	Y62-E104 HydrophobicContact CE1-CB 3.76Å; Y62-E104 HydrophobicContact CE1-CG 4.48Å; Y62-E104 WeakPolarHBondContact CE1-OE2 3.49Å; Y62-E104 VanDerWaalsContact CZ-OE2 3.28Å; Y62-E104 PolarHBondContact OH-OE2 2.77Å; C100-E104 PolarHBondContact O-N 2.84Å; C100-E104 PolarHBondContact SG-OE1 3Å; E104-I106 PolarHBondContact O-N 2.93Å
105	E	97.3	Very high	98	Very high	76 Å²	76	34.4 Å²	34.4	36%	0.355	17%	0.169	S	C	.	.			trans	-74.8	111	174.9	-171.2	-175.4	-129.8	0	0	111.4	F107	E105-F107 HydrophobicContact CG-CB 4.19Å; E105-F107 HydrophobicContact CG-CD2 4.23Å
106	I	98	Very high	98	Very high	5 Å²	5	35.3 Å²	35.3	3%	0.026	17%	0.173	C	C	.	.			trans	-76	-40.2	176.7	-56.1	175.9	0	0	0	111	Q55 I59 Y62 I101 E104 G108 V110	Q55-I106 PolarHBondContact NE2-O 2.88Å; I59-I106 HydrophobicContact CB-CG2 4.39Å; I59-I106 HydrophobicContact CG1-CG2 4.17Å; I59-I106 HydrophobicContact CG2-CG2 4.02Å; Y62-I106 HydrophobicContact CD1-CG1 4.11Å; Y62-I106 HydrophobicContact CD2-CB 4.49Å; Y62-I106 HydrophobicContact CD2-CG1 4.41Å; Y62-I106 HydrophobicContact CD2-CG2 4.23Å; Y62-I106 HydrophobicContact CG-CB 4.44Å; Y62-I106 HydrophobicContact CG-CG1 3.93Å; Y62-I106 HydrophobicContact CG-CG2 4.24Å; I101-I106 HydrophobicContact CB-CD1 4.06Å; I101-I106 HydrophobicContact CG2-CD1 4.15Å; E104-I106 PolarHBondContact O-N 2.93Å; I106-G108 PolarHBondContact O-N 2.88Å; I106-V110 HydrophobicContact CD1-CB 4.02Å; I106-V110 HydrophobicContact CD1-CG1 3.86Å; I106-V110 HydrophobicContact CG2-CB 4.31Å; I106-V110 HydrophobicContact CG2-CG2 4.01Å
107	F	97.8	Very high	98	Very high	55 Å²	55	37.4 Å²	37.4	24%	0.241	18%	0.18	C	C	.	.			trans	58.6	42.4	-178.6	-150.3	-107	0	0	0	113.7	G5 Q6 Q55 E105	G5-F107 CarbonylContact O-C 3.56Å; Q6-F107 VanDerWaalsContact C-CZ 3.46Å; Q6-F107 HydrophobicContact CB-CD1 3.96Å; Q6-F107 HydrophobicContact CB-CE1 3.65Å; Q6-F107 HydrophobicContact CB-CZ 4.25Å; Q6-F107 HydrophobicContact CG-CD1 4.17Å; Q6-F107 HydrophobicContact CG-CE1 4.28Å; Q55-F107 PolarHBondContact NE2-O 3.08Å; E105-F107 HydrophobicContact CG-CB 4.19Å; E105-F107 HydrophobicContact CG-CD2 4.23Å
108	G	98.2	Very high	98	Very high	3 Å²	3	38.4 Å²	38.4	3%	0.031	19%	0.188	C	C	.	.	S	Bend	trans	-149.8	-178.9	-178.9	0	0	0	0	0	111.5	H4 G5 I59 I106 V110	H4-G108 CarbonylContact O-C 3.5Å; H4-G108 VanDerWaalsContact O-C 3.26Å; G5-G108 WeakPolarHBondContact CA-O 3.19Å; G5-G108 PolarHBondContact O-N 2.82Å; I59-G108 VanDerWaalsContact CD1-CA 3.5Å; I106-G108 PolarHBondContact O-N 2.88Å; G108-V110 PolarHBondContact O-N 2.78Å
109	P	98.1	Very high	98	Very high	0 Å²	0	33.5 Å²	33.5	0%	0	17%	0.166	C	C	.	.	S	Bend	trans	-80.9	56.9	-171.5	34.4	-35.5	0	0	0	111	M1 H4 I87 T90	M1-P109 HydrophobicContact CE-CB 4.21Å; M1-P109 VanDerWaalsContact CE-O 3.29Å; M1-P109 WeakPolarHBondContact CE-O 3.38Å; H4-P109 WeakPolarHBondContact O-CD 3.31Å; I87-P109 HydrophobicContact CB-CG 4.02Å; I87-P109 HydrophobicContact CG2-CG 4.03Å; T90-P109 PolarHBondContact N-O 3.06Å
110	V	98.5	Very high	98	Very high	2 Å²	2	38.5 Å²	38.5	1%	0.012	19%	0.189	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-123.2	126.8	-176.7	-172.5	0	0	0	0	110.1	I59 I63 T90 F92 I106 G108	I59-V110 HydrophobicContact CG2-CG2 4Å; I63-V110 HydrophobicContact CD1-CG2 4.06Å; I63-V110 HydrophobicContact CG1-CG2 3.9Å; T90-V110 HydrophobicContact CG2-CG1 4.14Å; T90-V110 WeakPolarHBondContact O-CA 3.33Å; F92-V110 HydrophobicContact CD2-CG1 3.85Å; F92-V110 HydrophobicContact CE2-CG1 4.08Å; I106-V110 HydrophobicContact CD1-CB 4.02Å; I106-V110 HydrophobicContact CD1-CG1 3.86Å; I106-V110 HydrophobicContact CG2-CB 4.31Å; I106-V110 HydrophobicContact CG2-CG2 4.01Å; G108-V110 PolarHBondContact O-N 2.78Å
111	Q	97.4	Very high	98	Very high	28 Å²	28	40.2 Å²	40.2	13%	0.131	20%	0.196	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-113.8	137.6	174.1	-79.5	175.5	-3	0	0	111.1	M1 I14 T90 F92	M1-Q111 HydrophobicContact CE-CB 4.44Å; M1-Q111 HydrophobicContact CE-CG 3.62Å; M1-Q111 HydrophobicContact CG-CG 4.36Å; M1-Q111 HydrophobicContact SD-CG 3.97Å; I14-Q111 HydrophobicContact CD1-CB 4.15Å; I14-Q111 HydrophobicContact CD1-CG 3.87Å; T90-Q111 PolarHBondContact O-N 2.84Å; F92-Q111 PolarHBondContact N-O 2.94Å
112	C	98.4	Very high	98	Very high	1 Å²	1	40.4 Å²	40.4	1%	0.007	20%	0.197	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-112	120.3	175.2	-62.8	0	0	0	0	108.7	T12 I14 V95 I101 L114	T12-C112 PolarHBondContact O-N 3.15Å; I14-C112 PolarHBondContact N-O 3.29Å; V95-C112 HydrophobicContact CB-CB 4.4Å; V95-C112 HydrophobicContact CG1-CB 4.22Å; V95-C112 HydrophobicContact CG2-CB 4.02Å; I101-C112 PolarHBondContact O-SG 3.07Å; C112-L114 HydrophobicContact CB-CD1 4.33Å; C112-L114 WeakPolarHBondContact O-CD1 3.38Å
113	I	98.6	Very high	98.1	Very high	0 Å²	0	41 Å²	41	0%	0	20%	0.198	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-104	119	-178.8	-49.8	171	0	0	0	109.6	I14 V16 Y21 V25 L28 V91 F92	I14-I113 WeakPolarHBondContact O-CA 3.22Å; V16-I113 HydrophobicContact CB-CG2 4.49Å; V16-I113 HydrophobicContact CG2-CG2 3.84Å; Y21-I113 HydrophobicContact CD2-CG2 4.37Å; Y21-I113 HydrophobicContact CE2-CG2 3.66Å; Y21-I113 PolarHBondContact OH-O 3.1Å; Y21-I113 VanDerWaalsContact OH-O 3.1Å; V25-I113 HydrophobicContact CB-CD1 4.37Å; V25-I113 HydrophobicContact CG2-CD1 3.91Å; V25-I113 HydrophobicContact CG2-CG2 4.13Å; L28-I113 HydrophobicContact CB-CD1 4.17Å; L28-I113 HydrophobicContact CD1-CD1 3.48Å; L28-I113 VanDerWaalsContact CD1-CD1 3.48Å; L28-I113 HydrophobicContact CD1-CG1 3.95Å; L28-I113 HydrophobicContact CG-CD1 4.46Å; V91-I113 HydrophobicContact CG1-CD1 3.43Å; V91-I113 VanDerWaalsContact CG1-CD1 3.43Å; V91-I113 HydrophobicContact CG1-CG1 4.12Å; F92-I113 PolarHBondContact O-N 2.91Å
114	L	98.6	Very high	98.1	Very high	0 Å²	0	43.3 Å²	43.3	0%	0	21%	0.211	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-113.9	132.1	-176.7	-57	95.2	0	0	0	109.7	R13 I14 F15 V16 V95 D97 C112	R13-L114 HydrophobicContact CB-CD1 3.92Å; R13-L114 HydrophobicContact CG-CD1 4.16Å; I14-L114 PolarHBondContact O-N 3.41Å; F15-L114 CarbonylContact C-O 3.58Å; F15-L114 WeakPolarHBondContact CA-O 3.31Å; F15-L114 HydrophobicContact CD1-CB 3.74Å; F15-L114 HydrophobicContact CE1-CB 3.79Å; F15-L114 HydrophobicContact CE1-CD1 4.49Å; F15-L114 HydrophobicContact CE1-CD2 4.01Å; F15-L114 HydrophobicContact CE1-CG 4.31Å; F15-L114 HydrophobicContact CG-CB 4.48Å; F15-L114 HydrophobicContact CZ-CD1 4.48Å; F15-L114 HydrophobicContact CZ-CD2 4.23Å; V16-L114 PolarHBondContact N-O 2.9Å; V95-L114 HydrophobicContact CB-CG 4.18Å; V95-L114 HydrophobicContact CG1-CD2 4.36Å; V95-L114 HydrophobicContact CG1-CG 4.4Å; D97-L114 WeakPolarHBondContact OD1-CD2 3.29Å; C112-L114 HydrophobicContact CB-CD1 4.33Å; C112-L114 WeakPolarHBondContact O-CD1 3.38Å
115	K	98.6	Very high	98.2	Very high	86 Å²	86	41 Å²	41	37%	0.374	20%	0.199	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-85.6	138.9	178.1	-170.8	175.9	-69.9	175.9	0	109.6	V16 A18 Y21 R125	V16-K115 WeakPolarHBondContact O-CA 3.47Å; A18-K115 HydrophobicContact CB-CD 4.2Å; A18-K115 HydrophobicContact CB-CG 4.11Å; Y21-K115 HydrophobicContact CD1-CD 4.46Å; Y21-K115 HydrophobicContact CD2-CB 3.5Å; Y21-K115 VanDerWaalsContact CD2-CB 3.5Å; Y21-K115 HydrophobicContact CD2-CD 4.35Å; Y21-K115 HydrophobicContact CD2-CG 3.76Å; Y21-K115 HydrophobicContact CE2-CB 3.55Å; Y21-K115 HydrophobicContact CE2-CG 4.31Å; Y21-K115 HydrophobicContact CG-CB 4.15Å; Y21-K115 HydrophobicContact CG-CD 4.15Å; Y21-K115 HydrophobicContact CG-CG 4.01Å; K115-R125 PolarHBondContact O-NH1 3.49Å
116	F	98.6	Very high	98.3	Very high	27 Å²	27	38.3 Å²	38.3	12%	0.118	19%	0.189	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-137.3	164.4	171.1	75.8	-89.7	0	0	0	111.4	F15 V16 Q17 A18 T118 E121 V122	F15-F116 HydrophobicContact CB-CD1 3.78Å; F15-F116 HydrophobicContact CB-CE1 4.01Å; V16-F116 WeakPolarHBondContact O-CD1 3.17Å; V16-F116 PolarHBondContact O-N 3.45Å; V16-F116 VanDerWaalsContact O-N 3.08Å; Q17-F116 CarbonylContact C-O 3.56Å; Q17-F116 WeakPolarHBondContact CA-O 3.43Å; Q17-F116 HydrophobicContact CB-CE1 3.98Å; Q17-F116 HydrophobicContact CB-CE2 3.9Å; Q17-F116 HydrophobicContact CB-CZ 3.59Å; Q17-F116 HydrophobicContact CG-CD2 4.24Å; Q17-F116 HydrophobicContact CG-CE2 3.73Å; Q17-F116 HydrophobicContact CG-CZ 3.97Å; A18-F116 PolarHBondContact N-O 3.39Å; F116-T118 VanDerWaalsContact CD2-O 3.3Å; F116-T118 WeakPolarHBondContact CD2-O 3.34Å; F116-E121 WeakPolarHBondContact CA-OE1 3.39Å; F116-V122 HydrophobicContact CB-CB 4.2Å; F116-V122 HydrophobicContact CD1-CB 4.19Å; F116-V122 HydrophobicContact CD1-CG2 3.91Å; F116-V122 HydrophobicContact CD2-CB 3.67Å; F116-V122 HydrophobicContact CD2-CG1 3.99Å; F116-V122 HydrophobicContact CD2-CG2 4.29Å; F116-V122 HydrophobicContact CE1-CB 4.46Å; F116-V122 HydrophobicContact CE1-CG2 4.1Å; F116-V122 HydrophobicContact CE2-CB 3.99Å; F116-V122 HydrophobicContact CE2-CG1 3.85Å; F116-V122 HydrophobicContact CE2-CG2 4.48Å; F116-V122 HydrophobicContact CG-CB 3.76Å; F116-V122 HydrophobicContact CG-CG2 4Å; F116-V122 HydrophobicContact CZ-CB 4.37Å; F116-V122 HydrophobicContact CZ-CG1 4.25Å; F116-V122 HydrophobicContact CZ-CG2 4.38Å
117	N	98.4	Very high	98.3	Very high	97 Å²	97	39.6 Å²	39.6	52%	0.519	20%	0.196	S	C	.	.			trans	-112.7	-47.3	-178.5	-59.2	-78.5	0	0	0	113	Q17 E121	Q17-N117 PolarHBondContact NE2-O 3.5Å; Q17-N117 VanDerWaalsContact NE2-O 3.09Å; N117-E121 PolarHBondContact N-OE2 3.22Å; N117-E121 PolarHBondContact ND2-OE2 3.48Å
118	T	98.2	Very high	98.3	Very high	67 Å²	67	40.2 Å²	40.2	41%	0.411	21%	0.212	S	C	.	.			trans	-116.4	161.4	-173.5	72.2	0	0	0	0	112.9	F116 E120 E121 V122	F116-T118 VanDerWaalsContact CD2-O 3.3Å; F116-T118 WeakPolarHBondContact CD2-O 3.34Å; T118-E120 VanDerWaalsContact C-N 3.34Å; T118-E121 PolarHBondContact N-OE2 2.96Å; T118-E121 VanDerWaalsContact OG1-CB 3.24Å; T118-E121 WeakPolarHBondContact OG1-CB 3.28Å; T118-E121 PolarHBondContact OG1-N 2.99Å; T118-V122 PolarHBondContact O-N 3.45Å
119	L	97.7	Very high	98.2	Very high	36 Å²	36	41.6 Å²	41.6	19%	0.188	22%	0.219	C	C	.	.	H	α-helix	trans	-66.4	-39.7	178.4	-177	64.5	0	0	0	111.2	V122 I123 K144 R147 I148	L119-V122 HydrophobicContact CD1-CG1 4.32Å; L119-V122 WeakPolarHBondContact O-CG1 3.33Å; L119-V122 PolarHBondContact O-N 3.41Å; L119-I123 HydrophobicContact CD1-CD1 4.35Å; L119-I123 HydrophobicContact CG-CD1 3.96Å; L119-I123 WeakPolarHBondContact O-CD1 3.25Å; L119-I123 VanDerWaalsContact O-CG1 3.27Å; L119-I123 WeakPolarHBondContact O-CG1 3.34Å; L119-I123 PolarHBondContact O-N 3.37Å; L119-K144 HydrophobicContact CD2-CB 4.47Å; L119-K144 HydrophobicContact CD2-CG 4.23Å; L119-R147 HydrophobicContact CD2-CB 4.25Å; L119-R147 HydrophobicContact CD2-CG 3.88Å; L119-I148 HydrophobicContact CD1-CB 4.29Å; L119-I148 HydrophobicContact CD1-CD1 4.3Å
120	E	98.2	Very high	98.1	Very high	123 Å²	123	47.7 Å²	47.7	58%	0.575	25%	0.248	S	C	*	.	H	α-helix	trans	-65.5	-44.5	-179.7	-64.6	66.5	-145.4	0	0	110.7	T118 V122 I123 E124	T118-E120 VanDerWaalsContact C-N 3.34Å; E120-V122 PolarHBondContact O-N 3.49Å; E120-I123 PolarHBondContact O-N 3.09Å; E120-E124 PolarHBondContact O-N 2.79Å
121	E	98.2	Very high	98.1	Very high	48 Å²	48	52.3 Å²	52.3	22%	0.224	27%	0.265	C	S	.	.	H	α-helix	trans	-58.5	-48.5	176.4	-176	-151.4	145.4	0	0	111	F116 N117 T118 I123 E124 R125	F116-E121 WeakPolarHBondContact CA-OE1 3.39Å; N117-E121 PolarHBondContact N-OE2 3.22Å; N117-E121 PolarHBondContact ND2-OE2 3.48Å; T118-E121 PolarHBondContact N-OE2 2.96Å; T118-E121 VanDerWaalsContact OG1-CB 3.24Å; T118-E121 WeakPolarHBondContact OG1-CB 3.28Å; T118-E121 PolarHBondContact OG1-N 2.99Å; E121-I123 VanDerWaalsContact C-N 3.33Å; E121-I123 PolarHBondContact O-N 3.03Å; E121-E124 PolarHBondContact O-N 3.42Å; E121-R125 WeakPolarHBondContact O-CB 3.18Å; E121-R125 VanDerWaalsContact O-CG 3.23Å; E121-R125 WeakPolarHBondContact O-CG 3.45Å; E121-R125 PolarHBondContact O-N 3Å; E121-R125 IonicContact OE1-CZ 2.63Å; E121-R125 IonicContact OE1-NH1 2.86Å; E121-R125 PolarHBondContact OE1-NH1 3.45Å
122	V	98.4	Very high	98.1	Very high	7 Å²	7	51.3 Å²	51.3	4%	0.042	26%	0.262	C	S	.	.	H	α-helix	trans	-69.6	-31.8	-177.8	70.7	0	0	0	0	112.4	F15 F116 T118 L119 E120 A126 I148	F15-V122 HydrophobicContact CB-CG2 3.61Å; F15-V122 HydrophobicContact CD1-CG2 3.96Å; F15-V122 HydrophobicContact CD2-CG2 4.33Å; F15-V122 HydrophobicContact CG-CG2 3.71Å; F116-V122 HydrophobicContact CB-CB 4.2Å; F116-V122 HydrophobicContact CD1-CB 4.19Å; F116-V122 HydrophobicContact CD1-CG2 3.91Å; F116-V122 HydrophobicContact CD2-CB 3.67Å; F116-V122 HydrophobicContact CD2-CG1 3.99Å; F116-V122 HydrophobicContact CD2-CG2 4.29Å; F116-V122 HydrophobicContact CE1-CB 4.46Å; F116-V122 HydrophobicContact CE1-CG2 4.1Å; F116-V122 HydrophobicContact CE2-CB 3.99Å; F116-V122 HydrophobicContact CE2-CG1 3.85Å; F116-V122 HydrophobicContact CE2-CG2 4.48Å; F116-V122 HydrophobicContact CG-CB 3.76Å; F116-V122 HydrophobicContact CG-CG2 4Å; F116-V122 HydrophobicContact CZ-CB 4.37Å; F116-V122 HydrophobicContact CZ-CG1 4.25Å; F116-V122 HydrophobicContact CZ-CG2 4.38Å; T118-V122 PolarHBondContact O-N 3.45Å; L119-V122 HydrophobicContact CD1-CG1 4.32Å; L119-V122 WeakPolarHBondContact O-CG1 3.33Å; L119-V122 PolarHBondContact O-N 3.41Å; E120-V122 PolarHBondContact O-N 3.49Å; V122-A126 WeakPolarHBondContact O-CB 3.19Å; V122-A126 PolarHBondContact O-N 3.08Å; V122-I148 HydrophobicContact CG1-CD1 4.19Å
123	I	98.4	Very high	98	Very high	22 Å²	22	52.5 Å²	52.5	11%	0.113	27%	0.269	C	S	.	.	H	α-helix	trans	-63	-49.2	173.5	-74.4	165.3	0	0	0	110.3	L119 E120 E121 R125 A126 N127 R147 I148 C151	L119-I123 HydrophobicContact CD1-CD1 4.35Å; L119-I123 HydrophobicContact CG-CD1 3.96Å; L119-I123 WeakPolarHBondContact O-CD1 3.25Å; L119-I123 VanDerWaalsContact O-CG1 3.27Å; L119-I123 WeakPolarHBondContact O-CG1 3.34Å; L119-I123 PolarHBondContact O-N 3.37Å; E120-I123 PolarHBondContact O-N 3.09Å; E121-I123 VanDerWaalsContact C-N 3.33Å; E121-I123 PolarHBondContact O-N 3.03Å; I123-R125 PolarHBondContact O-N 3.45Å; I123-A126 PolarHBondContact O-N 2.89Å; I123-N127 PolarHBondContact O-N 2.96Å; I123-N127 VanDerWaalsContact O-N 3.11Å; I123-R147 HydrophobicContact CD1-CG 4.43Å; I123-I148 HydrophobicContact CG1-CB 4.49Å; I123-I148 HydrophobicContact CG1-CD1 4.42Å; I123-I148 HydrophobicContact CG1-CG1 3.93Å; I123-C151 HydrophobicContact CD1-CB 3.98Å; I123-C151 HydrophobicContact CG1-CB 4.26Å; I123-C151 HydrophobicContact CG2-CB 3.61Å
124	E	98.4	Very high	97.9	Very high	145 Å²	145	53.5 Å²	53.5	68%	0.678	28%	0.279	S	S	*	.	H	α-helix	trans	-58.3	-50.3	178.4	-177	179.5	175.6	0	0	110.9	E120 E121 A126 N127 A128	E120-E124 PolarHBondContact O-N 2.79Å; E121-E124 PolarHBondContact O-N 3.42Å; E124-A126 PolarHBondContact O-N 2.98Å; E124-N127 PolarHBondContact O-N 3.36Å; E124-A128 WeakPolarHBondContact O-CB 3.49Å; E124-A128 PolarHBondContact O-N 2.96Å
125	R	98.4	Very high	97.9	Very high	34 Å²	34	54.4 Å²	54.4	13%	0.128	29%	0.287	C	S	.	.	H	α-helix	trans	-68	-33.4	-178.6	-65.5	172.5	65.2	-164.1	-3.6	113	R13 F15 D97 K115 E121 I123 N127 A128	R13-R125 PolarHBondContact NH1-O 2.89Å; F15-R125 HydrophobicContact CE1-CB 3.9Å; F15-R125 HydrophobicContact CZ-CB 4.06Å; D97-R125 IonicContact OD1-CZ 2.7Å; D97-R125 IonicContact OD1-NE 2.66Å; D97-R125 PolarHBondContact OD1-NE 3.46Å; D97-R125 IonicContact OD1-NH2 2.73Å; D97-R125 PolarHBondContact OD1-NH2 3.5Å; D97-R125 IonicContact OD2-CZ 3.22Å; D97-R125 IonicContact OD2-NE 3.38Å; D97-R125 PolarHBondContact OD2-NE 2.92Å; D97-R125 IonicContact OD2-NH2 3.43Å; D97-R125 PolarHBondContact OD2-NH2 2.81Å; K115-R125 PolarHBondContact O-NH1 3.49Å; E121-R125 WeakPolarHBondContact O-CB 3.18Å; E121-R125 VanDerWaalsContact O-CG 3.23Å; E121-R125 WeakPolarHBondContact O-CG 3.45Å; E121-R125 PolarHBondContact O-N 3Å; E121-R125 IonicContact OE1-CZ 2.63Å; E121-R125 IonicContact OE1-NH1 2.86Å; E121-R125 PolarHBondContact OE1-NH1 3.45Å; I123-R125 PolarHBondContact O-N 3.45Å; R125-N127 VanDerWaalsContact C-N 3.31Å; R125-N127 PolarHBondContact O-N 2.79Å; R125-A128 PolarHBondContact O-N 3.25Å
126	A	98.3	Very high	97.9	Very high	18 Å²	18	51.7 Å²	51.7	15%	0.149	28%	0.283	C	S	.	.	H	α-helix	trans	-62.4	-41.2	173.1	0	0	0	0	0	111	R13 V122 I123 E124 V152	R13-A126 PolarHBondContact NH2-O 3.32Å; V122-A126 WeakPolarHBondContact O-CB 3.19Å; V122-A126 PolarHBondContact O-N 3.08Å; I123-A126 PolarHBondContact O-N 2.89Å; E124-A126 PolarHBondContact O-N 2.98Å; A126-V152 HydrophobicContact CB-CG1 4.49Å; A126-V152 HydrophobicContact CB-CG2 4.08Å
127	N	98.2	Very high	97.8	Very high	32 Å²	32	51.3 Å²	51.3	17%	0.171	28%	0.282	C	S	.	.	H	α-helix	trans	-81.4	-17	-179.8	-72.7	-20.5	0	0	0	114.4	I123 E124 R125 T129 C151 V152 E153 K175	I123-N127 PolarHBondContact O-N 2.96Å; I123-N127 VanDerWaalsContact O-N 3.11Å; E124-N127 PolarHBondContact O-N 3.36Å; R125-N127 VanDerWaalsContact C-N 3.31Å; R125-N127 PolarHBondContact O-N 2.79Å; N127-T129 PolarHBondContact O-N 2.89Å; N127-C151 PolarHBondContact ND2-O 3.18Å; N127-V152 WeakPolarHBondContact OD1-CA 3.47Å; N127-E153 PolarHBondContact OD1-N 2.91Å; N127-K175 PolarHBondContact O-NZ 3.05Å
128	A	97.7	Very high	97.8	Very high	69 Å²	69	53.5 Å²	53.5	57%	0.57	29%	0.288	S	S	*	.	S	Bend	trans	-70.9	59.8	176.3	0	0	0	0	0	112.7	E124 R125	E124-A128 WeakPolarHBondContact O-CB 3.49Å; E124-A128 PolarHBondContact O-N 2.96Å; R125-A128 PolarHBondContact O-N 3.25Å
129	T	97.2	Very high	97.8	Very high	31 Å²	31	52 Å²	52	19%	0.19	28%	0.278	C	S	.	.	S	Bend	trans	-152.3	155.9	177.1	180	0	0	0	0	109.6	N127 Y131 K175	N127-T129 PolarHBondContact O-N 2.89Å; T129-Y131 WeakPolarHBondContact CG2-O 3.21Å; T129-Y131 PolarHBondContact O-N 2.9Å; T129-Y131 WeakPolarHBondContact OG1-CD2 3.34Å; T129-Y131 PolarHBondContact OG1-N 3.23Å; T129-K175 PolarHBondContact O-NZ 3.2Å
130	H	96.2	Very high	97.8	Very high	129 Å²	129	56.3 Å²	56.3	60%	0.597	31%	0.311	S	S	*	.	S	Bend	trans	-74.3	-13.6	172.9	-60.1	-52.9	0	0	0	112.9	K175 M176	H130-K175 WeakPolarHBondContact O-CB 3.3Å; H130-M176 HydrophobicContact CB-CG 4.29Å; H130-M176 HydrophobicContact CB-SD 3.84Å; H130-M176 WeakPolarHBondContact O-CB 3.46Å; H130-M176 PolarHBondContact O-N 3.15Å
131	Y	97.8	Very high	97.8	Very high	98 Å²	98	52.9 Å²	52.9	38%	0.384	30%	0.297	S	S	.	.			trans	-97.2	167.5	-176.2	-54.7	-64	0	0	0	112.7	K103 T129 S177	K103-Y131 WeakPolarHBondContact O-CE2 3.46Å; T129-Y131 WeakPolarHBondContact CG2-O 3.21Å; T129-Y131 PolarHBondContact O-N 2.9Å; T129-Y131 WeakPolarHBondContact OG1-CD2 3.34Å; T129-Y131 PolarHBondContact OG1-N 3.23Å; Y131-S177 WeakPolarHBondContact CA-OG 3.1Å; Y131-S177 WeakPolarHBondContact CB-OG 3.48Å
132	G	97.5	Very high	97.8	Very high	7 Å²	7	56.1 Å²	56.1	7%	0.072	31%	0.314	C	S	.	.			trans	-171.3	46.8	179.6	0	0	0	0	0	112.6	E153 A154 G155 Y174 S177	G132-E153 VanDerWaalsContact CA-O 3.28Å; G132-E153 WeakPolarHBondContact CA-O 3.3Å; G132-A154 WeakPolarHBondContact O-CA 3.35Å; G132-G155 PolarHBondContact O-N 3.17Å; G132-G155 VanDerWaalsContact O-N 3.08Å; G132-Y174 PolarHBondContact O-N 3.3Å; G132-S177 PolarHBondContact N-OG 3.02Å
133	L	97.3	Very high	97.8	Very high	27 Å²	27	62.1 Å²	62.1	14%	0.141	35%	0.346	C	S	.	.	S	Bend	trans	-86.1	-64.3	-175.2	-167.4	59.9	0	0	0	112.6	C8 V9 G155 S156 F171 S177	C8-L133 HydrophobicContact CB-CD2 3.39Å; V9-L133 HydrophobicContact CG1-CB 4.21Å; V9-L133 HydrophobicContact CG1-CD2 3.64Å; V9-L133 HydrophobicContact CG1-CG 3.55Å; L133-G155 PolarHBondContact O-N 3.05Å; L133-S156 PolarHBondContact O-N 2.85Å; L133-F171 HydrophobicContact CD1-CE1 3.99Å; L133-F171 HydrophobicContact CD1-CZ 4.26Å; L133-F171 HydrophobicContact CD2-CE1 4.47Å; L133-F171 HydrophobicContact CD2-CZ 4.32Å; L133-F171 HydrophobicContact CG-CE1 4.36Å; L133-F171 HydrophobicContact CG-CZ 4.16Å; L133-S177 PolarHBondContact N-OG 2.99Å
134	G	96.2	Very high	97.8	Very high	21 Å²	21	65.6 Å²	65.6	22%	0.216	36%	0.36	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-134.3	143.4	-179.3	0	0	0	0	0	111.6	S156	G134-S156 CarbonylContact C-O 3.5Å; G134-S156 WeakPolarHBondContact CA-O 3.38Å
135	A	98	Very high	97.8	Very high	19 Å²	19	58.8 Å²	58.8	16%	0.157	33%	0.328	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-146.4	165.7	174.3	0	0	0	0	0	110.7	V152 A154 S156 F157 W158	A135-V152 HydrophobicContact CB-CG1 3.77Å; A135-A154 HydrophobicContact CB-CB 3.71Å; A135-S156 PolarHBondContact N-O 3.48Å; A135-F157 HydrophobicContact CB-CD2 3.72Å; A135-F157 HydrophobicContact CB-CE2 3.77Å; A135-F157 CarbonylContact O-C 3.36Å; A135-F157 VanDerWaalsContact O-CA 3.3Å; A135-F157 WeakPolarHBondContact O-CA 3.46Å; A135-W158 PolarHBondContact O-N 3.34Å
136	G	97.7	Very high	97.7	Very high	28 Å²	28	61.2 Å²	61.2	29%	0.289	34%	0.342	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-162.4	163.3	174.1	0	0	0	0	0	113.7	W158	G136-W158 CarbonylContact C-O 3.6Å; G136-W158 WeakPolarHBondContact CA-O 3.2Å
137	V	98.3	Very high	97.7	Very high	19 Å²	19	66.8 Å²	66.8	12%	0.115	36%	0.359	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-129	143.1	-179.4	67.3	0	0	0	0	110.6	T139 A145 I148 F157 W158 I159 N160	V137-T139 HydrophobicContact CG1-CG2 4.47Å; V137-T139 HydrophobicContact CG2-CG2 3.9Å; V137-A145 HydrophobicContact CG1-CB 4.36Å; V137-I148 HydrophobicContact CB-CG2 3.69Å; V137-I148 HydrophobicContact CG1-CG2 3.75Å; V137-I148 HydrophobicContact CG2-CD1 4.42Å; V137-I148 HydrophobicContact CG2-CG2 3.77Å; V137-F157 HydrophobicContact CB-CE1 4.16Å; V137-F157 HydrophobicContact CB-CZ 4.11Å; V137-F157 HydrophobicContact CG1-CE1 3.74Å; V137-F157 HydrophobicContact CG1-CZ 4.19Å; V137-W158 PolarHBondContact N-O 2.77Å; V137-I159 HydrophobicContact CG1-CB 4.32Å; V137-I159 HydrophobicContact CG1-CG1 3.96Å; V137-I159 HydrophobicContact CG1-CG2 4.22Å; V137-N160 PolarHBondContact O-N 2.83Å
138	F	98.2	Very high	97.7	Very high	144 Å²	144	66 Å²	66	63%	0.632	36%	0.355	S	S	*	.			trans	-117.1	108.8	170.1	-67	-93.6	0	0	0	109.3	N160	F138-N160 VanDerWaalsContact CA-OD1 3.31Å; F138-N160 WeakPolarHBondContact CA-OD1 3.42Å
139	T	98.3	Very high	97.7	Very high	34 Å²	34	64 Å²	64	21%	0.209	34%	0.338	C	S	.	.			trans	-159.4	146.2	179.5	-179.8	0	0	0	0	110.3	V137 D141 K144 A145 N160	V137-T139 HydrophobicContact CG1-CG2 4.47Å; V137-T139 HydrophobicContact CG2-CG2 3.9Å; T139-D141 VanDerWaalsContact C-N 3.34Å; T139-D141 WeakPolarHBondContact CG2-O 3.39Å; T139-D141 WeakPolarHBondContact OG1-CB 3.24Å; T139-D141 PolarHBondContact OG1-N 3.45Å; T139-K144 HydrophobicContact CG2-CB 4.47Å; T139-A145 HydrophobicContact CG2-CB 3.68Å; T139-N160 PolarHBondContact N-OD1 3.07Å; T139-N160 PolarHBondContact O-ND2 3.46Å; T139-N160 PolarHBondContact O-OD1 3.29Å; T139-N160 VanDerWaalsContact O-OD1 3.09Å
140	S	98.1	Very high	97.7	Very high	127 Å²	127	69.3 Å²	69.3	89%	0.888	36%	0.361	S	S	*	.	S	Bend	trans	-85.4	-10.2	169.5	58.2	0	0	0	0	113
141	D	98.2	Very high	97.8	Very high	52 Å²	52	64.8 Å²	64.8	28%	0.278	34%	0.344	S	S	.	.			trans	-88.7	112.3	179.8	-176.8	-35.4	0	0	0	110	T139 D143 K144 A145	T139-D141 VanDerWaalsContact C-N 3.34Å; T139-D141 WeakPolarHBondContact CG2-O 3.39Å; T139-D141 WeakPolarHBondContact OG1-CB 3.24Å; T139-D141 PolarHBondContact OG1-N 3.45Å; D141-D143 PolarHBondContact OD1-N 3.02Å; D141-D143 VanDerWaalsContact OD1-N 3.08Å; D141-K144 HydrophobicContact CB-CB 4.12Å; D141-K144 HydrophobicContact CB-CD 4.09Å; D141-K144 HydrophobicContact CB-CG 4.12Å; D141-K144 PolarHBondContact O-N 2.81Å; D141-K144 PolarHBondContact OD1-N 3.47Å; D141-K144 WeakPolarHBondContact OD2-CE 3.37Å; D141-K144 IonicContact OD2-NZ 3.56Å; D141-K144 PolarHBondContact OD2-NZ 3.31Å; D141-A145 WeakPolarHBondContact O-CB 3.33Å; D141-A145 PolarHBondContact O-N 3.12Å
142	M	97.2	Very high	97.8	Very high	115 Å²	115	60.9 Å²	60.9	57%	0.567	33%	0.33	S	S	*	.	H	α-helix	trans	-70.1	-34.3	-174.6	-165.4	56.7	53.9	0	0	112.7	A145 M146	M142-A145 PolarHBondContact O-N 2.86Å; M142-A145 HydrophobicContact SD-CB 4.38Å; M142-M146 HydrophobicContact CG-CG 4.33Å; M142-M146 WeakPolarHBondContact O-CB 3.43Å; M142-M146 WeakPolarHBondContact O-CG 3.15Å; M142-M146 PolarHBondContact O-N 3.24Å; M142-M146 HydrophobicContact SD-CG 4.3Å
143	D	98.1	Very high	97.8	Very high	134 Å²	134	64.8 Å²	64.8	72%	0.717	35%	0.346	S	S	*	.	H	α-helix	trans	-66.2	-43.6	178.9	-65.8	-34.6	0	0	0	109.8	D141 R147	D141-D143 PolarHBondContact OD1-N 3.02Å; D141-D143 VanDerWaalsContact OD1-N 3.08Å; D143-R147 WeakPolarHBondContact O-CB 3.3Å; D143-R147 PolarHBondContact O-N 3.46Å
144	K	98	Very high	97.8	Very high	95 Å²	95	64.2 Å²	64.2	41%	0.413	35%	0.345	S	S	.	.	H	α-helix	trans	-62.5	-43.9	172.7	-67.3	-173.5	-176.2	109.4	0	111.9	L119 T139 D141 R147 I148	L119-K144 HydrophobicContact CD2-CB 4.47Å; L119-K144 HydrophobicContact CD2-CG 4.23Å; T139-K144 HydrophobicContact CG2-CB 4.47Å; D141-K144 HydrophobicContact CB-CB 4.12Å; D141-K144 HydrophobicContact CB-CD 4.09Å; D141-K144 HydrophobicContact CB-CG 4.12Å; D141-K144 PolarHBondContact O-N 2.81Å; D141-K144 PolarHBondContact OD1-N 3.47Å; D141-K144 WeakPolarHBondContact OD2-CE 3.37Å; D141-K144 IonicContact OD2-NZ 3.56Å; D141-K144 PolarHBondContact OD2-NZ 3.31Å; K144-R147 PolarHBondContact O-N 2.8Å; K144-I148 WeakPolarHBondContact O-CG2 3.36Å; K144-I148 PolarHBondContact O-N 2.98Å
145	A	98.3	Very high	97.8	Very high	1 Å²	1	64.2 Å²	64.2	1%	0.008	35%	0.346	C	S	.	.	H	α-helix	trans	-59.7	-47.7	-179.7	0	0	0	0	0	111.9	V137 T139 D141 M142 I148 A149 I159	V137-A145 HydrophobicContact CG1-CB 4.36Å; T139-A145 HydrophobicContact CG2-CB 3.68Å; D141-A145 WeakPolarHBondContact O-CB 3.33Å; D141-A145 PolarHBondContact O-N 3.12Å; M142-A145 PolarHBondContact O-N 2.86Å; M142-A145 HydrophobicContact SD-CB 4.38Å; A145-I148 VanDerWaalsContact O-CG2 3.3Å; A145-I148 WeakPolarHBondContact O-CG2 3.37Å; A145-A149 VanDerWaalsContact O-CB 3.25Å; A145-A149 WeakPolarHBondContact O-CB 3.39Å; A145-A149 PolarHBondContact O-N 3.02Å; A145-A149 VanDerWaalsContact O-N 3.1Å; A145-I159 HydrophobicContact CB-CD1 4.25Å; A145-I159 HydrophobicContact CB-CG2 3.88Å
146	M	98	Very high	97.7	Very high	86 Å²	86	64 Å²	64	42%	0.424	34%	0.343	S	S	.	.	H	α-helix	trans	-70.2	-39.9	179.5	-66.9	-53.4	-60.5	0	0	111.7	M142 A149 Q150 I159	M142-M146 HydrophobicContact CG-CG 4.33Å; M142-M146 WeakPolarHBondContact O-CB 3.43Å; M142-M146 WeakPolarHBondContact O-CG 3.15Å; M142-M146 PolarHBondContact O-N 3.24Å; M142-M146 HydrophobicContact SD-CG 4.3Å; M146-A149 PolarHBondContact O-N 3.16Å; M146-Q150 VanDerWaalsContact O-CG 3.29Å; M146-Q150 WeakPolarHBondContact O-CG 3.18Å; M146-Q150 PolarHBondContact O-N 2.97Å; M146-Q150 VanDerWaalsContact O-N 3.07Å; M146-I159 HydrophobicContact SD-CD1 4.05Å
147	R	97.9	Very high	97.7	Very high	135 Å²	135	65.1 Å²	65.1	51%	0.509	34%	0.34	S	S	.	.	H	α-helix	trans	-59.4	-50	177.5	179.8	58.5	174.2	177.9	1.7	111.8	L119 I123 D143 K144 Q150 C151	L119-R147 HydrophobicContact CD2-CB 4.25Å; L119-R147 HydrophobicContact CD2-CG 3.88Å; I123-R147 HydrophobicContact CD1-CG 4.43Å; D143-R147 WeakPolarHBondContact O-CB 3.3Å; D143-R147 PolarHBondContact O-N 3.46Å; K144-R147 PolarHBondContact O-N 2.8Å; R147-Q150 PolarHBondContact O-N 2.83Å; R147-C151 PolarHBondContact O-N 3.42Å; R147-C151 PolarHBondContact O-SG 2.86Å
148	I	97.9	Very high	97.6	Very high	14 Å²	14	65.2 Å²	65.2	7%	0.072	34%	0.338	C	S	.	.	H	α-helix	trans	-68.2	-39.2	-179.5	-164.7	164.5	0	0	0	111.7	L119 V122 I123 V137 K144 A145 Q150 C151 V152 F157	L119-I148 HydrophobicContact CD1-CB 4.29Å; L119-I148 HydrophobicContact CD1-CD1 4.3Å; V122-I148 HydrophobicContact CG1-CD1 4.19Å; I123-I148 HydrophobicContact CG1-CB 4.49Å; I123-I148 HydrophobicContact CG1-CD1 4.42Å; I123-I148 HydrophobicContact CG1-CG1 3.93Å; V137-I148 HydrophobicContact CB-CG2 3.69Å; V137-I148 HydrophobicContact CG1-CG2 3.75Å; V137-I148 HydrophobicContact CG2-CD1 4.42Å; V137-I148 HydrophobicContact CG2-CG2 3.77Å; K144-I148 WeakPolarHBondContact O-CG2 3.36Å; K144-I148 PolarHBondContact O-N 2.98Å; A145-I148 VanDerWaalsContact O-CG2 3.3Å; A145-I148 WeakPolarHBondContact O-CG2 3.37Å; I148-Q150 PolarHBondContact O-N 2.8Å; I148-C151 PolarHBondContact O-N 3.05Å; I148-C151 VanDerWaalsContact O-N 3.15Å; I148-V152 HydrophobicContact CD1-CG2 4.44Å; I148-V152 HydrophobicContact CG1-CG2 3.61Å; I148-V152 WeakPolarHBondContact O-CG2 3.26Å; I148-V152 PolarHBondContact O-N 2.76Å; I148-F157 HydrophobicContact CG1-CZ 4.32Å; I148-F157 HydrophobicContact CG2-CE1 4.26Å; I148-F157 HydrophobicContact CG2-CZ 3.87Å
149	A	97.4	Very high	97.6	Very high	27 Å²	27	61 Å²	61	22%	0.223	32%	0.322	C	S	.	.	H	α-helix	trans	-61.9	-32.1	178.7	0	0	0	0	0	112.6	A145 M146 F157 I159	A145-A149 VanDerWaalsContact O-CB 3.25Å; A145-A149 WeakPolarHBondContact O-CB 3.39Å; A145-A149 PolarHBondContact O-N 3.02Å; A145-A149 VanDerWaalsContact O-N 3.1Å; M146-A149 PolarHBondContact O-N 3.16Å; A149-F157 HydrophobicContact CB-CD1 3.49Å; A149-F157 VanDerWaalsContact CB-CD1 3.49Å; A149-F157 HydrophobicContact CB-CE1 3.57Å; A149-F157 HydrophobicContact CB-CG 4.12Å; A149-F157 HydrophobicContact CB-CZ 4.27Å; A149-I159 HydrophobicContact CB-CD1 4.19Å
150	Q	97.5	Very high	97.6	Very high	143 Å²	143	63.2 Å²	63.2	67%	0.668	33%	0.332	S	S	*	.	H	α-helix	trans	-80.4	-27.1	176.6	-71.8	173.9	-4.1	0	0	113.6	M146 R147 I148	M146-Q150 VanDerWaalsContact O-CG 3.29Å; M146-Q150 WeakPolarHBondContact O-CG 3.18Å; M146-Q150 PolarHBondContact O-N 2.97Å; M146-Q150 VanDerWaalsContact O-N 3.07Å; R147-Q150 PolarHBondContact O-N 2.83Å; I148-Q150 PolarHBondContact O-N 2.8Å
151	C	98	Very high	97.5	Very high	35 Å²	35	59.6 Å²	59.6	24%	0.236	31%	0.307	C	S	.	.	H	α-helix	trans	-96.3	-26	-174.1	-66.8	0	0	0	0	113.8	I123 N127 R147 I148	I123-C151 HydrophobicContact CD1-CB 3.98Å; I123-C151 HydrophobicContact CG1-CB 4.26Å; I123-C151 HydrophobicContact CG2-CB 3.61Å; N127-C151 PolarHBondContact ND2-O 3.18Å; R147-C151 PolarHBondContact O-N 3.42Å; R147-C151 PolarHBondContact O-SG 2.86Å; I148-C151 PolarHBondContact O-N 3.05Å; I148-C151 VanDerWaalsContact O-N 3.15Å
152	V	98.2	Very high	97.4	Very high	16 Å²	16	60.8 Å²	60.8	10%	0.097	31%	0.308	C	S	.	.	S	Bend	trans	-79.2	126.1	179.4	173.7	0	0	0	0	110.2	A126 N127 A135 I148 A154 F157	A126-V152 HydrophobicContact CB-CG1 4.49Å; A126-V152 HydrophobicContact CB-CG2 4.08Å; N127-V152 WeakPolarHBondContact OD1-CA 3.47Å; A135-V152 HydrophobicContact CB-CG1 3.77Å; I148-V152 HydrophobicContact CD1-CG2 4.44Å; I148-V152 HydrophobicContact CG1-CG2 3.61Å; I148-V152 WeakPolarHBondContact O-CG2 3.26Å; I148-V152 PolarHBondContact O-N 2.76Å; V152-A154 HydrophobicContact CG1-CB 4.35Å; V152-A154 PolarHBondContact O-N 3.03Å; V152-F157 HydrophobicContact CB-CD2 4.12Å; V152-F157 HydrophobicContact CB-CE2 3.66Å; V152-F157 HydrophobicContact CG1-CD2 4.22Å; V152-F157 HydrophobicContact CG1-CE2 3.9Å; V152-F157 HydrophobicContact CG2-CE2 4.07Å
153	E	97.7	Very high	97.2	Very high	89 Å²	89	57.8 Å²	57.8	42%	0.416	29%	0.294	S	S	.	.			trans	-83.6	76.3	-176.8	-62.5	175.3	145.9	0	0	110.6	N127 G132 Y174 K175	N127-E153 PolarHBondContact OD1-N 2.91Å; G132-E153 VanDerWaalsContact CA-O 3.28Å; G132-E153 WeakPolarHBondContact CA-O 3.3Å; E153-Y174 HydrophobicContact CB-CD1 4.3Å; E153-K175 WeakPolarHBondContact OE2-CE 3.5Å; E153-K175 IonicContact OE2-NZ 3.77Å; E153-K175 PolarHBondContact OE2-NZ 2.86Å
154	A	97.3	Very high	97	Very high	14 Å²	14	58.2 Å²	58.2	12%	0.116	29%	0.29	C	S	.	.			trans	-130.8	146.1	174.5	0	0	0	0	0	111	G132 A135 V152	G132-A154 WeakPolarHBondContact O-CA 3.35Å; A135-A154 HydrophobicContact CB-CB 3.71Å; V152-A154 HydrophobicContact CG1-CB 4.35Å; V152-A154 PolarHBondContact O-N 3.03Å
155	G	95.7	Very high	96.6	Very high	22 Å²	22	57.2 Å²	57.2	23%	0.227	29%	0.292	C	S	.	.	S	Bend	trans	-79.1	-21.1	-179.7	0	0	0	0	0	114.6	G132 L133 G172	G132-G155 PolarHBondContact O-N 3.17Å; G132-G155 VanDerWaalsContact O-N 3.08Å; L133-G155 PolarHBondContact O-N 3.05Å; G155-G172 WeakPolarHBondContact CA-O 3.49Å
156	S	95.8	Very high	96.4	Very high	15 Å²	15	58.7 Å²	58.7	11%	0.105	30%	0.302	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-125.8	131.8	164.6	-60.7	0	0	0	0	110.3	L133 G134 A135 F171	L133-S156 PolarHBondContact O-N 2.85Å; G134-S156 CarbonylContact C-O 3.5Å; G134-S156 WeakPolarHBondContact CA-O 3.38Å; A135-S156 PolarHBondContact N-O 3.48Å; S156-F171 WeakPolarHBondContact OG-CD2 3.33Å
157	F	97	Very high	96.2	Very high	50 Å²	50	58.9 Å²	58.9	22%	0.219	31%	0.31	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-128.1	125.4	179.3	-161	-80.6	0	0	0	110.7	A135 V137 I148 A149 V152 I159	A135-F157 HydrophobicContact CB-CD2 3.72Å; A135-F157 HydrophobicContact CB-CE2 3.77Å; A135-F157 CarbonylContact O-C 3.36Å; A135-F157 VanDerWaalsContact O-CA 3.3Å; A135-F157 WeakPolarHBondContact O-CA 3.46Å; V137-F157 HydrophobicContact CB-CE1 4.16Å; V137-F157 HydrophobicContact CB-CZ 4.11Å; V137-F157 HydrophobicContact CG1-CE1 3.74Å; V137-F157 HydrophobicContact CG1-CZ 4.19Å; I148-F157 HydrophobicContact CG1-CZ 4.32Å; I148-F157 HydrophobicContact CG2-CE1 4.26Å; I148-F157 HydrophobicContact CG2-CZ 3.87Å; A149-F157 HydrophobicContact CB-CD1 3.49Å; A149-F157 VanDerWaalsContact CB-CD1 3.49Å; A149-F157 HydrophobicContact CB-CE1 3.57Å; A149-F157 HydrophobicContact CB-CG 4.12Å; A149-F157 HydrophobicContact CB-CZ 4.27Å; V152-F157 HydrophobicContact CB-CD2 4.12Å; V152-F157 HydrophobicContact CB-CE2 3.66Å; V152-F157 HydrophobicContact CG1-CD2 4.22Å; V152-F157 HydrophobicContact CG1-CE2 3.9Å; V152-F157 HydrophobicContact CG2-CE2 4.07Å; F157-I159 HydrophobicContact CD1-CG1 4.21Å; F157-I159 HydrophobicContact CE1-CG1 4.16Å
158	W	97.8	Very high	96.1	Very high	22 Å²	22	59.9 Å²	59.9	8%	0.083	32%	0.32	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-109.3	129.7	-179.3	-58	-77.6	0	0	0	111.8	V9 A135 G136 V137 S161 Y162 F164	V9-W158 HydrophobicContact CB-CH2 3.97Å; V9-W158 HydrophobicContact CB-CZ3 4.45Å; V9-W158 HydrophobicContact CG1-CH2 4.13Å; V9-W158 HydrophobicContact CG2-CH2 4.24Å; A135-W158 PolarHBondContact O-N 3.34Å; G136-W158 CarbonylContact C-O 3.6Å; G136-W158 WeakPolarHBondContact CA-O 3.2Å; V137-W158 PolarHBondContact N-O 2.77Å; W158-S161 WeakPolarHBondContact CB-O 3.26Å; W158-Y162 HydrophobicContact CE3-CD1 4.44Å; W158-Y162 AromaticContact CE3-CD2 3.94Å; W158-Y162 HydrophobicContact CE3-CD2 3.94Å; W158-Y162 HydrophobicContact CE3-CE1 4.41Å; W158-Y162 AromaticContact CE3-CE2 3.94Å; W158-Y162 HydrophobicContact CE3-CE2 3.94Å; W158-Y162 HydrophobicContact CE3-CG 4.19Å; W158-Y162 HydrophobicContact CZ3-CE1 4.17Å; W158-Y162 HydrophobicContact CZ3-CE2 4.26Å; W158-F164 PolarHBondContact NE1-O 2.98Å
159	I	97.9	Very high	95.9	Very high	55 Å²	55	63 Å²	63	28%	0.282	34%	0.34	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-102.2	125.1	172.5	-61.1	171.5	0	0	0	108.2	V137 A145 M146 A149 F157 S161	V137-I159 HydrophobicContact CG1-CB 4.32Å; V137-I159 HydrophobicContact CG1-CG1 3.96Å; V137-I159 HydrophobicContact CG1-CG2 4.22Å; A145-I159 HydrophobicContact CB-CD1 4.25Å; A145-I159 HydrophobicContact CB-CG2 3.88Å; M146-I159 HydrophobicContact SD-CD1 4.05Å; A149-I159 HydrophobicContact CB-CD1 4.19Å; F157-I159 HydrophobicContact CD1-CG1 4.21Å; F157-I159 HydrophobicContact CE1-CG1 4.16Å; I159-S161 PolarHBondContact O-N 2.72Å; I159-S161 PolarHBondContact O-OG 3.43Å
160	N	97.5	Very high	95.7	Very high	81 Å²	81	65.7 Å²	65.7	43%	0.433	36%	0.355	S	S	.	.	S	Bend	trans	52.2	26.3	179.7	-63.7	-38.5	0	0	0	114.5	V137 F138 T139	V137-N160 PolarHBondContact O-N 2.83Å; F138-N160 VanDerWaalsContact CA-OD1 3.31Å; F138-N160 WeakPolarHBondContact CA-OD1 3.42Å; T139-N160 PolarHBondContact N-OD1 3.07Å; T139-N160 PolarHBondContact O-ND2 3.46Å; T139-N160 PolarHBondContact O-OD1 3.29Å; T139-N160 VanDerWaalsContact O-OD1 3.09Å
161	S	96.5	Very high	95.7	Very high	50 Å²	50	61.1 Å²	61.1	35%	0.35	33%	0.333	S	S	.	.			trans	-154.6	171.5	177.6	56.2	0	0	0	0	108.1	W158 I159	W158-S161 WeakPolarHBondContact CB-O 3.26Å; I159-S161 PolarHBondContact O-N 2.72Å; I159-S161 PolarHBondContact O-OG 3.43Å
162	Y	96.2	Very high	95.5	Very high	77 Å²	77	60 Å²	60	30%	0.302	33%	0.327	S	S	.	.			trans	-157.8	147.4	176.3	-152.6	-90.7	0	0	0	110.5	V9 G11 W158 F164	V9-Y162 WeakPolarHBondContact O-CE1 3.24Å; V9-Y162 PolarHBondContact O-OH 3.08Å; G11-Y162 WeakPolarHBondContact CA-OH 3.49Å; W158-Y162 HydrophobicContact CE3-CD1 4.44Å; W158-Y162 AromaticContact CE3-CD2 3.94Å; W158-Y162 HydrophobicContact CE3-CD2 3.94Å; W158-Y162 HydrophobicContact CE3-CE1 4.41Å; W158-Y162 AromaticContact CE3-CE2 3.94Å; W158-Y162 HydrophobicContact CE3-CE2 3.94Å; W158-Y162 HydrophobicContact CE3-CG 4.19Å; W158-Y162 HydrophobicContact CZ3-CE1 4.17Å; W158-Y162 HydrophobicContact CZ3-CE2 4.26Å; Y162-F164 PolarHBondContact O-N 3.03Å
163	N	93.4	Very high	95.3	Very high	52 Å²	52	59.4 Å²	59.4	28%	0.278	33%	0.325	S	S	.	.	S	Bend	trans	57.7	35.1	176	-165.1	51.6	0	0	0	113.6	V9	V9-N163 VanDerWaalsContact CG2-OD1 3.24Å; V9-N163 WeakPolarHBondContact CG2-OD1 3.49Å
164	F	92.4	Very high	95	Very high	144 Å²	144	60.4 Å²	60.4	63%	0.632	33%	0.325	S	S	*	.			trans	-95	128.2	173.1	-173	-93.4	0	0	0	109.6	W158 Y162	W158-F164 PolarHBondContact NE1-O 2.98Å; Y162-F164 PolarHBondContact O-N 3.03Å
165	V	91	Very high	95	Very high	74 Å²	74	64 Å²	64	45%	0.448	34%	0.338	S	S	.	.			trans	-133.9	138.6	-175.3	-164.4	0	0	0	0	108.8	L183	V165-L183 HydrophobicContact CG1-CD1 3.54Å; V165-L183 HydrophobicContact CG1-CD2 3.66Å; V165-L183 HydrophobicContact CG1-CG 4.25Å
166	S	93.5	Very high	95	Very high	31 Å²	31	69.9 Å²	69.9	22%	0.217	36%	0.362	C	S	.	.			trans	-137.8	139.2	179.3	-159.5	0	0	0	0	109.8	Q168 T169	S166-Q168 PolarHBondContact O-N 3.43Å; S166-Q168 PolarHBondContact OG-OE1 3.14Å; S166-T169 PolarHBondContact O-N 2.6Å
167	P	93.9	Very high	95.1	Very high	91 Å²	91	70.7 Å²	70.7	59%	0.591	37%	0.367	S	S	*	.	T	Hydrogen-bonded Turn	trans	-56.1	-21.2	178.8	-26.3	34.6	0	0	0	114.8
168	Q	95.2	Very high	95	Very high	155 Å²	155	70 Å²	70	72%	0.724	38%	0.375	S	S	*	.	T	Hydrogen-bonded Turn	trans	-92.2	-4.1	-178.3	-55	84.2	-6.6	0	0	113.7	S166	S166-Q168 PolarHBondContact O-N 3.43Å; S166-Q168 PolarHBondContact OG-OE1 3.14Å
169	T	93.7	Very high	94.7	Very high	80 Å²	80	78.1 Å²	78.1	49%	0.491	42%	0.416	S	S	.	.	S	Bend	trans	-110.9	129	-179.8	-54.4	0	0	0	0	107.7	S166 L183	S166-T169 PolarHBondContact O-N 2.6Å; T169-L183 WeakPolarHBondContact O-CB 3.36Å; T169-L183 WeakPolarHBondContact O-CD1 3.37Å
170	P	94.6	Very high	94.6	Very high	84 Å²	84	78 Å²	78	55%	0.545	43%	0.428	S	S	.	.			trans	-67.5	146.5	178.2	28.2	-34.8	0	0	0	111.7	R181	P170-R181 HydrophobicContact CB-CB 4.05Å; P170-R181 HydrophobicContact CB-CG 4.34Å
171	F	96.8	Very high	94.4	Very high	46 Å²	46	79.7 Å²	79.7	20%	0.202	43%	0.428	C	S	.	.	B	Isolated β-bridge	trans	-131.7	142.7	175.5	-179.6	-84.2	0	0	0	110.6	V9 L133 S156 R181 E182 L183	V9-F171 HydrophobicContact CG1-CE2 3.69Å; V9-F171 HydrophobicContact CG1-CZ 3.41Å; V9-F171 VanDerWaalsContact CG1-CZ 3.41Å; V9-F171 HydrophobicContact CG2-CE2 4.47Å; V9-F171 HydrophobicContact CG2-CZ 4.39Å; L133-F171 HydrophobicContact CD1-CE1 3.99Å; L133-F171 HydrophobicContact CD1-CZ 4.26Å; L133-F171 HydrophobicContact CD2-CE1 4.47Å; L133-F171 HydrophobicContact CD2-CZ 4.32Å; L133-F171 HydrophobicContact CG-CE1 4.36Å; L133-F171 HydrophobicContact CG-CZ 4.16Å; S156-F171 WeakPolarHBondContact OG-CD2 3.33Å; F171-R181 CarbonylContact O-C 3.26Å; F171-R181 VanDerWaalsContact O-CA 3.26Å; F171-R181 WeakPolarHBondContact O-CA 3.28Å; F171-E182 WeakPolarHBondContact CA-O 2.82Å; F171-E182 PolarHBondContact N-O 2.65Å; F171-E182 PolarHBondContact O-N 3.02Å; F171-L183 HydrophobicContact CB-CD1 3.19Å; F171-L183 HydrophobicContact CB-CG 3.92Å; F171-L183 HydrophobicContact CG-CD1 4.23Å
172	G	93.9	Very high	94.1	Very high	11 Å²	11	84.9 Å²	84.9	11%	0.113	45%	0.447	C	S	.	.			trans	164.6	174.8	178.3	0	0	0	0	0	110.9	G155	G155-G172 WeakPolarHBondContact CA-O 3.49Å
173	G	94.1	Very high	92.7	Very high	4 Å²	4	86.8 Å²	86.8	4%	0.041	46%	0.462	C	S	.	.			trans	-96.1	162	-171.1	0	0	0	0	0	115.4	R181	G173-R181 PolarHBondContact O-NH1 3.41Å; G173-R181 PolarHBondContact O-NH2 2.8Å
174	Y	91.8	Very high	92.7	Very high	110 Å²	110	88.6 Å²	88.6	43%	0.431	47%	0.471	S	S	.	.	S	Bend	trans	-99.2	163.1	154.9	-82.8	-121.6	0	0	0	109.3	G132 E153 M176 S177 R181	G132-Y174 PolarHBondContact O-N 3.3Å; E153-Y174 HydrophobicContact CB-CD1 4.3Å; Y174-M176 PolarHBondContact O-N 3.13Å; Y174-S177 VanDerWaalsContact O-CB 3.3Å; Y174-S177 WeakPolarHBondContact O-CB 3.2Å; Y174-S177 PolarHBondContact O-N 3.01Å; Y174-R181 VanDerWaalsContact CE2-NH2 3.31Å
175	K	96	Very high	92.7	Very high	89 Å²	89	85.6 Å²	85.6	39%	0.387	46%	0.463	S	S	.	.	G	3₁₀ helix	trans	54.1	-132	173.7	-57	173.5	177.8	165.6	0	112.1	N127 T129 H130 E153 S177	N127-K175 PolarHBondContact O-NZ 3.05Å; T129-K175 PolarHBondContact O-NZ 3.2Å; H130-K175 WeakPolarHBondContact O-CB 3.3Å; E153-K175 WeakPolarHBondContact OE2-CE 3.5Å; E153-K175 IonicContact OE2-NZ 3.77Å; E153-K175 PolarHBondContact OE2-NZ 2.86Å; K175-S177 PolarHBondContact O-N 2.81Å
176	M	97	Very high	92.8	Very high	146 Å²	146	86.3 Å²	86.3	72%	0.719	46%	0.463	S	S	*	.	G	3₁₀ helix	trans	-78	1.3	-179.8	-58.8	-170.6	175.3	0	0	113.3	H130 Y174 G178	H130-M176 HydrophobicContact CB-CG 4.29Å; H130-M176 HydrophobicContact CB-SD 3.84Å; H130-M176 WeakPolarHBondContact O-CB 3.46Å; H130-M176 PolarHBondContact O-N 3.15Å; Y174-M176 PolarHBondContact O-N 3.13Å; M176-G178 PolarHBondContact O-N 2.67Å
177	S	96.2	Very high	92.8	Very high	32 Å²	32	89.5 Å²	89.5	22%	0.224	48%	0.478	C	S	.	.	G	3₁₀ helix	trans	-80.8	-1.3	173.9	-66.5	0	0	0	0	113.9	Y131 G132 L133 Y174 K175	Y131-S177 WeakPolarHBondContact CA-OG 3.1Å; Y131-S177 WeakPolarHBondContact CB-OG 3.48Å; G132-S177 PolarHBondContact N-OG 3.02Å; L133-S177 PolarHBondContact N-OG 2.99Å; Y174-S177 VanDerWaalsContact O-CB 3.3Å; Y174-S177 WeakPolarHBondContact O-CB 3.2Å; Y174-S177 PolarHBondContact O-N 3.01Å; K175-S177 PolarHBondContact O-N 2.81Å
178	G	95.2	Very high	92.7	Very high	36 Å²	36	89.4 Å²	89.4	37%	0.371	47%	0.471	S	S	.	.			trans	129.7	176.3	169.6	0	0	0	0	0	114.2	M176	M176-G178 PolarHBondContact O-N 2.67Å
179	M	92.8	Very high	92.5	Very high	192 Å²	192	85.1 Å²	85.1	95%	0.946	45%	0.454	S	S	*	.	S	Bend	trans	-127.5	144.8	177.4	-64.4	-170	-65.4	0	0	109.7
180	G	93.9	Very high	92.4	Very high	52 Å²	52	85.4 Å²	85.4	54%	0.536	45%	0.451	S	S	.	.	S	Bend	trans	85.9	-177.3	-174	0	0	0	0	0	113.1
181	R	93.4	Very high	92.3	Very high	117 Å²	117	85.5 Å²	85.5	44%	0.442	44%	0.444	S	S	.	.			trans	-140.7	144.9	-179.8	-60.1	-66.5	179	-100.7	6.5	109.2	P170 F171 G173 Y174	P170-R181 HydrophobicContact CB-CB 4.05Å; P170-R181 HydrophobicContact CB-CG 4.34Å; F171-R181 CarbonylContact O-C 3.26Å; F171-R181 VanDerWaalsContact O-CA 3.26Å; F171-R181 WeakPolarHBondContact O-CA 3.28Å; G173-R181 PolarHBondContact O-NH1 3.41Å; G173-R181 PolarHBondContact O-NH2 2.8Å; Y174-R181 VanDerWaalsContact CE2-NH2 3.31Å
182	E	90.9	Very high	91.9	Very high	159 Å²	159	88.8 Å²	88.8	74%	0.743	46%	0.464	S	S	*	.	B	Isolated β-bridge	trans	-127.4	151.8	177	-62.8	179.7	156.5	0	0	109.4	F171	F171-E182 WeakPolarHBondContact CA-O 2.82Å; F171-E182 PolarHBondContact N-O 2.65Å; F171-E182 PolarHBondContact O-N 3.02Å
183	L	67.5	Low	91.7	Very high	118 Å²	118	95.9 Å²	95.9	62%	0.618	50%	0.496	S	S	*	.			trans	172	0	148.7	-99.2	160.9	0	0	0	111.1	V165 T169 F171	V165-L183 HydrophobicContact CG1-CD1 3.54Å; V165-L183 HydrophobicContact CG1-CD2 3.66Å; V165-L183 HydrophobicContact CG1-CG 4.25Å; T169-L183 WeakPolarHBondContact O-CB 3.36Å; T169-L183 WeakPolarHBondContact O-CD1 3.37Å; F171-L183 HydrophobicContact CB-CD1 3.19Å; F171-L183 HydrophobicContact CB-CG 3.92Å; F171-L183 HydrophobicContact CG-CD1 4.23Å

Retrieved 183 of 183 residues in 58.7 ms (Link to these results)

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