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Lys-63-specific deubiquitinase

Metalloprotease that specifically cleaves 'Lys-63'-linked polyubiquitin chains. Component of the BRCA1-A complex, a complex that specifically recognizes 'Lys-63'-linked ubiquitinated histones H2A and H2AX at DNA lesions sites, leading to target the brca1-bard1 heterodimer to sites of DNA damage at double-strand breaks (DSBs). Catalytic subunit of the BRISC complex, a multiprotein complex that specifically cleaves 'Lys-63'-linked ubiquitin in various substrates. Mediates the specific 'Lys-63'-specific deubiquitination associated with the COP9 signalosome complex (CSN), via the interaction of the BRISC complex with the CSN complex. The BRISC complex is required for normal mitotic spindle assembly and microtubule attachment to kinetochores via its role in deubiquitinating NUMA1.

AlphaFold DB , UniProt , Accession X6RJS7, Species HUMAN (Homo sapiens, Human), Gene BRCC3, Length 226 aa.

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(Predicted Aligned Error values between residue pairs)

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Site	Residue	pLDDT	pLDDT confidence	pLDDT₁₀	pLDDT10 confidence	SASA	SASA [Å²]	SASA₁₀	SASA10 [Å²]	RSA	RSA unformatted	RSA₁₀	RSA10 unformatted	Surface	Surface10 (not used)	Disorder (not used)	Disorder	Sec. str.	Secondary structure	Isomer	Phi (φ)	Psi (ψ)	Omega (ω)	Chi 1 (χ₁)	Chi 2 (χ₂)	Chi 3 (χ₃)	Chi 4 (χ₄)	Chi 5 (χ₅)	Tau (τ)	Contacts (colored by PAE)	Contact details
1	M	34.1	Very low	64.4	Low	236 Å²	236	101 Å²	101	100%	1.163	57%	0.565	S	S	*	*				0	108.2	0	-62.4	-69.3	-122.7	0	0	106.5	V3	M1-V3 PolarHBondContact O-N 3.26Å
2	A	32.6	Very low	67.3	Low	101 Å²	101	92.6 Å²	92.6	84%	0.835	52%	0.518	S	S	*	.			trans	-66.6	126.4	177.9	0	0	0	0	0	108.3	Q4	A2-Q4 PolarHBondContact O-N 2.85Å
3	V	38.6	Very low	69.7	Low	132 Å²	132	89.2 Å²	89.2	80%	0.8	50%	0.496	S	S	*	.			trans	-61.8	107.8	167.4	178.3	0	0	0	0	105.5	M1 V5	M1-V3 PolarHBondContact O-N 3.26Å; V3-V5 PolarHBondContact O-N 3.4Å
4	Q	41.1	Very low	71.8	Confident	173 Å²	173	82.9 Å²	82.9	81%	0.808	46%	0.46	S	S	*	.			trans	-66.9	102.4	176.2	-166.2	162.4	5.3	0	0	106.3	A2 V6	A2-Q4 PolarHBondContact O-N 2.85Å; Q4-V6 PolarHBondContact O-N 3.14Å
5	V	51.8	Low	73.6	Confident	126 Å²	126	80.1 Å²	80.1	76%	0.764	44%	0.442	S	S	*	.			trans	-59.6	106.5	173.6	179.2	0	0	0	0	106	V3 Q7	V3-V5 PolarHBondContact O-N 3.4Å; V5-Q7 PolarHBondContact O-N 3.03Å
6	V	58.9	Low	75.1	Confident	77 Å²	77	76.9 Å²	76.9	47%	0.467	43%	0.428	S	S	.	.			trans	-65.3	107.2	176.1	179	0	0	0	0	106.7	Q4 A8	Q4-V6 PolarHBondContact O-N 3.14Å; V6-A8 PolarHBondContact O-N 2.66Å
7	Q	75.2	Confident	76.4	Confident	111 Å²	111	72.9 Å²	72.9	52%	0.519	41%	0.405	S	S	.	.			trans	-80.9	115.8	179.9	-167.9	175.5	3	0	0	108.9	V5 R46	V5-Q7 PolarHBondContact O-N 3.03Å; Q7-R46 PolarHBondContact O-NH1 2.81Å
8	A	86.9	Confident	77.7	Confident	24 Å²	24	68.8 Å²	68.8	20%	0.198	38%	0.383	C	S	.	.			trans	-59.5	159.2	176.3	0	0	0	0	0	111.8	V6 I188 I190	V6-A8 PolarHBondContact O-N 2.66Å; A8-I188 HydrophobicContact CB-CD1 4.3Å; A8-I190 HydrophobicContact CB-CD1 4.28Å
9	V	95.1	Very high	78.8	Confident	8 Å²	8	67 Å²	67	5%	0.048	37%	0.37	C	S	.	.			trans	-58.9	141.7	167.9	167.2	0	0	0	0	109.3	A11 V12 R46 V48 V126 I190	V9-A11 WeakPolarHBondContact CG1-O 3.07Å; V9-V12 HydrophobicContact CG1-CG2 4.35Å; V9-R46 WeakPolarHBondContact CG1-O 2.99Å; V9-V48 HydrophobicContact CB-CG2 4.41Å; V9-V48 HydrophobicContact CG1-CB 4.46Å; V9-V48 HydrophobicContact CG1-CG2 3.64Å; V9-V48 HydrophobicContact CG2-CG2 3.84Å; V9-V126 HydrophobicContact CB-CG1 4.31Å; V9-V126 HydrophobicContact CG1-CG1 4.31Å; V9-V126 HydrophobicContact CG2-CG1 4.09Å; V9-I190 HydrophobicContact CB-CG2 4.38Å; V9-I190 HydrophobicContact CG1-CG2 3.94Å
10	Q	96.4	Very high	79.7	Confident	112 Å²	112	67 Å²	67	52%	0.523	37%	0.369	S	S	.	.	S	Bend	trans	-81.7	-38.9	-177.7	-68.4	-166.7	66.1	0	0	112.6	V45 R46 P191	Q10-V45 PolarHBondContact NE2-O 2.8Å; Q10-R46 PolarHBondContact N-O 2.78Å; Q10-P191 WeakPolarHBondContact O-CD 3.34Å
11	A	98.1	Very high	80.6	Confident	11 Å²	11	64 Å²	64	9%	0.091	35%	0.353	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-159.5	163	177.9	0	0	0	0	0	111.1	V9 I47 V48 P191	V9-A11 WeakPolarHBondContact CG1-O 3.07Å; A11-I47 HydrophobicContact CB-CG1 4.32Å; A11-I47 HydrophobicContact CB-CG2 4.37Å; A11-I47 WeakPolarHBondContact O-CA 3.45Å; A11-V48 PolarHBondContact O-N 2.87Å; A11-P191 CarbonylContact C-O 3.53Å; A11-P191 WeakPolarHBondContact CA-O 3.47Å; A11-P191 HydrophobicContact CB-CB 4.48Å
12	V	98.8	Very high	83.7	Confident	0 Å²	0	52.8 Å²	52.8	0%	0	30%	0.298	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-118.8	126.9	169.9	-179.8	0	0	0	0	109.3	V9 V48 I50 V126 C148 I190 P191 I192 H193	V9-V12 HydrophobicContact CG1-CG2 4.35Å; V12-V48 CarbonylContact C-O 3.54Å; V12-V48 WeakPolarHBondContact CA-O 3.33Å; V12-V48 HydrophobicContact CG2-CB 4.18Å; V12-I50 HydrophobicContact CG1-CD1 3.64Å; V12-I50 HydrophobicContact CG1-CG1 4.17Å; V12-V126 HydrophobicContact CG2-CB 4.36Å; V12-V126 HydrophobicContact CG2-CG1 4.02Å; V12-V126 HydrophobicContact CG2-CG2 4.16Å; V12-C148 VanDerWaalsContact CG2-SG 3.5Å; V12-I190 HydrophobicContact CG2-CG2 3.85Å; V12-P191 PolarHBondContact N-O 3.02Å; V12-I192 HydrophobicContact CB-CB 4.48Å; V12-I192 HydrophobicContact CB-CG1 4.31Å; V12-I192 HydrophobicContact CG1-CD1 4.49Å; V12-I192 HydrophobicContact CG1-CG1 4.36Å; V12-I192 CarbonylContact O-C 3.54Å; V12-I192 WeakPolarHBondContact O-CA 3.4Å; V12-H193 PolarHBondContact O-N 3.38Å
13	H	98.8	Very high	86.8	Confident	49 Å²	49	49.6 Å²	49.6	23%	0.227	27%	0.267	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-103.7	110.1	170	-70.6	176.7	0	0	0	108.5	V48 H49 I50 H193 V195	H13-V48 PolarHBondContact N-O 3.41Å; H13-H49 AromaticContact CG-ND1 3.94Å; H13-H49 AromaticContact ND1-CE1 3.33Å; H13-H49 PolarHBondContact ND1-CE1 2.99Å; H13-H49 VanDerWaalsContact ND1-CE1 3.33Å; H13-H49 AromaticContact ND1-ND1 3.46Å; H13-H49 PolarHBondContact ND1-ND1 3.06Å; H13-H49 CarbonylContact O-C 3.52Å; H13-H49 WeakPolarHBondContact O-CA 3.44Å; H13-I50 PolarHBondContact O-N 3.17Å; H13-H193 WeakPolarHBondContact CA-O 3.49Å; H13-H193 AromaticContact CD2-CD2 3.82Å; H13-H193 AromaticContact NE2-CD2 3.86Å; H13-V195 HydrophobicContact CB-CG2 3.75Å
14	L	98.8	Very high	89.6	Confident	0 Å²	0	47.3 Å²	47.3	0%	0	25%	0.25	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-103	118.3	178.7	176.1	60.9	0	0	0	109.1	A18 F19 I50 L128 I192 H193 I194 V195	L14-A18 HydrophobicContact CD1-CB 3.72Å; L14-F19 HydrophobicContact CD2-CB 3.85Å; L14-F19 HydrophobicContact CD2-CD2 3.81Å; L14-F19 HydrophobicContact CD2-CG 4.34Å; L14-F19 HydrophobicContact CG-CB 4.07Å; L14-I50 HydrophobicContact CD1-CB 3.69Å; L14-I50 HydrophobicContact CD1-CD1 4.23Å; L14-I50 HydrophobicContact CD1-CG2 3.55Å; L14-L128 HydrophobicContact CD2-CD2 4.07Å; L14-I192 HydrophobicContact CB-CD1 4.23Å; L14-I192 HydrophobicContact CB-CG1 4.44Å; L14-I192 HydrophobicContact CD2-CD1 4.13Å; L14-H193 PolarHBondContact N-O 2.84Å; L14-I194 CarbonylContact O-C 3.48Å; L14-I194 VanDerWaalsContact O-CA 3.28Å; L14-I194 WeakPolarHBondContact O-CA 3.45Å; L14-V195 PolarHBondContact O-N 3.14Å
15	E	98.6	Very high	92.3	Very high	41 Å²	41	39.4 Å²	39.4	19%	0.192	21%	0.213	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-61.9	139.8	174.3	-72.1	-173.9	173	0	0	111.2	D17 A18 F19 I50 H51	E15-D17 PolarHBondContact O-N 3.33Å; E15-D17 VanDerWaalsContact O-N 3.15Å; E15-A18 PolarHBondContact O-N 2.85Å; E15-F19 PolarHBondContact O-N 3.15Å; E15-I50 PolarHBondContact N-O 3.49Å; E15-H51 IonicContact OE1-CE1 3.34Å; E15-H51 PolarHBondContact OE1-CE1 3.16Å; E15-H51 IonicContact OE1-CG 3.21Å; E15-H51 IonicContact OE1-ND1 2.68Å; E15-H51 PolarHBondContact OE1-ND1 2.84Å; E15-H51 WeakPolarHBondContact OE2-CA 3.28Å; E15-H51 IonicContact OE2-ND1 3.51Å
16	S	98.4	Very high	94.5	Very high	30 Å²	30	33.4 Å²	33.4	21%	0.21	18%	0.177	C	C	.	.	H	α-helix	trans	-59.3	-28.9	-177	57.7	0	0	0	0	113.3	F19 L20 V195 H197	S16-F19 PolarHBondContact O-N 2.9Å; S16-L20 WeakPolarHBondContact O-CB 3.46Å; S16-L20 PolarHBondContact O-N 2.78Å; S16-V195 PolarHBondContact N-O 3.46Å; S16-H197 WeakPolarHBondContact OG-CB 3.28Å; S16-H197 PolarHBondContact OG-N 3.3Å; S16-H197 PolarHBondContact OG-O 2.77Å
17	D	97.2	Very high	96.3	Very high	8 Å²	8	33.3 Å²	33.3	4%	0.043	17%	0.173	C	C	.	.	H	α-helix	trans	-69	-43.7	176.7	-64.4	1.4	0	0	0	111.2	E15 L20 V21 H197 I200 G201 C204	E15-D17 PolarHBondContact O-N 3.33Å; E15-D17 VanDerWaalsContact O-N 3.15Å; D17-L20 WeakPolarHBondContact O-CB 3.45Å; D17-L20 PolarHBondContact O-N 3.34Å; D17-V21 WeakPolarHBondContact O-CG2 3.1Å; D17-V21 PolarHBondContact O-N 3.02Å; D17-V21 VanDerWaalsContact O-N 3.16Å; D17-H197 IonicContact OD1-CG 4Å; D17-H197 IonicContact OD1-ND1 3.6Å; D17-H197 IonicContact OD2-CE1 3.51Å; D17-H197 IonicContact OD2-CG 3.66Å; D17-H197 IonicContact OD2-ND1 2.8Å; D17-H197 PolarHBondContact OD2-ND1 3.18Å; D17-I200 VanDerWaalsContact OD2-CA 3.28Å; D17-I200 WeakPolarHBondContact OD2-CA 3.28Å; D17-G201 PolarHBondContact OD2-N 2.99Å; D17-C204 HydrophobicContact CB-CB 3.96Å
18	A	98.4	Very high	97.3	Very high	0 Å²	0	30.3 Å²	30.3	0%	0	16%	0.164	C	C	.	.	H	α-helix	trans	-66	-41	174.9	0	0	0	0	0	111	L14 E15 L20 V21 C22 I50 V53	L14-A18 HydrophobicContact CD1-CB 3.72Å; E15-A18 PolarHBondContact O-N 2.85Å; A18-L20 VanDerWaalsContact C-N 3.31Å; A18-L20 PolarHBondContact O-N 3.1Å; A18-V21 PolarHBondContact O-N 2.68Å; A18-C22 PolarHBondContact O-N 3.45Å; A18-C22 PolarHBondContact O-SG 3.46Å; A18-I50 HydrophobicContact CB-CG2 4.41Å; A18-V53 HydrophobicContact CB-CG1 4.32Å
19	F	98.7	Very high	97.6	Very high	34 Å²	34	30.5 Å²	30.5	15%	0.149	16%	0.163	C	C	.	.	H	α-helix	trans	-57.1	-43.5	172.4	178.4	-93	0	0	0	112	L14 E15 S16 V21 C22 L23 F130 Y146 I194	L14-F19 HydrophobicContact CD2-CB 3.85Å; L14-F19 HydrophobicContact CD2-CD2 3.81Å; L14-F19 HydrophobicContact CD2-CG 4.34Å; L14-F19 HydrophobicContact CG-CB 4.07Å; E15-F19 PolarHBondContact O-N 3.15Å; S16-F19 PolarHBondContact O-N 2.9Å; F19-V21 VanDerWaalsContact C-N 3.34Å; F19-V21 PolarHBondContact O-N 3.49Å; F19-C22 PolarHBondContact O-N 3.29Å; F19-L23 HydrophobicContact CE1-CB 4.44Å; F19-L23 HydrophobicContact CE1-CD2 3.83Å; F19-L23 HydrophobicContact CZ-CD2 4.25Å; F19-L23 VanDerWaalsContact O-CB 3.3Å; F19-L23 WeakPolarHBondContact O-CB 3.49Å; F19-L23 PolarHBondContact O-N 2.71Å; F19-F130 AromaticContact CD2-CE1 3.91Å; F19-F130 HydrophobicContact CD2-CE1 3.91Å; F19-F130 HydrophobicContact CD2-CZ 4.25Å; F19-F130 AromaticContact CE2-CE1 3.65Å; F19-F130 HydrophobicContact CE2-CE1 3.65Å; F19-F130 HydrophobicContact CE2-CZ 4.39Å; F19-F130 HydrophobicContact CZ-CE1 4.44Å; F19-Y146 AromaticContact CE2-CD1 3.82Å; F19-Y146 HydrophobicContact CE2-CD1 3.82Å; F19-Y146 AromaticContact CE2-CE1 3.95Å; F19-Y146 HydrophobicContact CE2-CE1 3.95Å; F19-Y146 HydrophobicContact CE2-CG 4.14Å; F19-Y146 HydrophobicContact CZ-CD1 4.15Å; F19-Y146 HydrophobicContact CZ-CE1 4.12Å; F19-I194 HydrophobicContact CD1-CD1 4.23Å; F19-I194 HydrophobicContact CD2-CD1 3.66Å; F19-I194 HydrophobicContact CD2-CG1 4.3Å; F19-I194 HydrophobicContact CE1-CD1 4.23Å; F19-I194 HydrophobicContact CE2-CD1 3.64Å; F19-I194 HydrophobicContact CG-CD1 3.96Å; F19-I194 HydrophobicContact CZ-CD1 3.95Å
20	L	98.4	Very high	97.5	Very high	66 Å²	66	35 Å²	35	35%	0.346	18%	0.184	S	C	.	.	H	α-helix	trans	-59.8	-43.7	176.9	176.2	64.1	0	0	0	111.7	S16 D17 A18 L23 N24 I200	S16-L20 WeakPolarHBondContact O-CB 3.46Å; S16-L20 PolarHBondContact O-N 2.78Å; D17-L20 WeakPolarHBondContact O-CB 3.45Å; D17-L20 PolarHBondContact O-N 3.34Å; A18-L20 VanDerWaalsContact C-N 3.31Å; A18-L20 PolarHBondContact O-N 3.1Å; L20-L23 PolarHBondContact O-N 2.81Å; L20-N24 WeakPolarHBondContact O-CB 3.38Å; L20-N24 VanDerWaalsContact O-CG 3.24Å; L20-N24 PolarHBondContact O-N 3.43Å; L20-N24 PolarHBondContact O-ND2 2.86Å; L20-I200 HydrophobicContact CD2-CD1 3.75Å; L20-I200 HydrophobicContact CD2-CG1 4.34Å
21	V	98.4	Very high	97.3	Very high	5 Å²	5	38.8 Å²	38.8	3%	0.03	20%	0.198	C	C	.	.	H	α-helix	trans	-64.1	-47.8	177.2	-178.6	0	0	0	0	111	D17 A18 F19 L23 N24 H25 V53 I55 C204 A208	D17-V21 WeakPolarHBondContact O-CG2 3.1Å; D17-V21 PolarHBondContact O-N 3.02Å; D17-V21 VanDerWaalsContact O-N 3.16Å; A18-V21 PolarHBondContact O-N 2.68Å; F19-V21 VanDerWaalsContact C-N 3.34Å; F19-V21 PolarHBondContact O-N 3.49Å; V21-L23 VanDerWaalsContact C-N 3.33Å; V21-L23 PolarHBondContact O-N 2.79Å; V21-N24 PolarHBondContact O-N 3.25Å; V21-H25 WeakPolarHBondContact O-CB 3.15Å; V21-H25 PolarHBondContact O-N 3.26Å; V21-V53 HydrophobicContact CB-CG2 3.68Å; V21-V53 HydrophobicContact CG1-CG2 3.42Å; V21-V53 VanDerWaalsContact CG1-CG2 3.42Å; V21-I55 HydrophobicContact CG1-CD1 4.05Å; V21-I55 HydrophobicContact CG1-CG1 4.26Å; V21-C204 HydrophobicContact CG2-CB 4.01Å; V21-C204 WeakPolarHBondContact CG2-O 3.38Å; V21-A208 HydrophobicContact CG2-CB 4.2Å
22	C	98.5	Very high	96.9	Very high	0 Å²	0	41 Å²	41	0%	0	21%	0.206	C	C	.	.	H	α-helix	trans	-56.5	-47.1	175.9	-72.7	0	0	0	0	112	A18 F19 H25 A26 V53 Y97 F130	A18-C22 PolarHBondContact O-N 3.45Å; A18-C22 PolarHBondContact O-SG 3.46Å; F19-C22 PolarHBondContact O-N 3.29Å; C22-H25 PolarHBondContact O-N 3.19Å; C22-A26 WeakPolarHBondContact O-CB 3.33Å; C22-A26 PolarHBondContact O-N 3.08Å; C22-V53 VanDerWaalsContact SG-CG1 3.58Å; C22-Y97 HydrophobicContact CB-CD2 4.37Å; C22-Y97 HydrophobicContact CB-CE2 4.28Å; C22-F130 HydrophobicContact CB-CD2 4.49Å; C22-F130 HydrophobicContact CB-CE1 4.13Å; C22-F130 HydrophobicContact CB-CE2 3.71Å; C22-F130 HydrophobicContact CB-CZ 3.5Å
23	L	98.4	Very high	96.6	Very high	35 Å²	35	41.8 Å²	41.8	18%	0.183	21%	0.21	C	C	.	.	H	α-helix	trans	-67.6	-43.8	-176.8	-178.9	59.1	0	0	0	111.8	F19 L20 V21 H25 A26 L27 V144	F19-L23 HydrophobicContact CE1-CB 4.44Å; F19-L23 HydrophobicContact CE1-CD2 3.83Å; F19-L23 HydrophobicContact CZ-CD2 4.25Å; F19-L23 VanDerWaalsContact O-CB 3.3Å; F19-L23 WeakPolarHBondContact O-CB 3.49Å; F19-L23 PolarHBondContact O-N 2.71Å; L20-L23 PolarHBondContact O-N 2.81Å; V21-L23 VanDerWaalsContact C-N 3.33Å; V21-L23 PolarHBondContact O-N 2.79Å; L23-H25 VanDerWaalsContact C-N 3.26Å; L23-H25 PolarHBondContact O-N 2.99Å; L23-A26 PolarHBondContact O-N 3.4Å; L23-L27 HydrophobicContact CD1-CD1 3.83Å; L23-L27 HydrophobicContact CD1-CG 4.04Å; L23-L27 HydrophobicContact CG-CD1 3.91Å; L23-L27 HydrophobicContact CG-CG 4.49Å; L23-L27 WeakPolarHBondContact O-CB 3.36Å; L23-L27 VanDerWaalsContact O-CG 3.32Å; L23-L27 WeakPolarHBondContact O-CG 3.18Å; L23-L27 PolarHBondContact O-N 3.39Å; L23-V144 HydrophobicContact CD1-CG1 3.74Å
24	N	97.8	Very high	96.4	Very high	83 Å²	83	40 Å²	40	44%	0.444	20%	0.203	S	C	.	.	H	α-helix	trans	-60.7	-38.8	175.1	-75	-22.4	0	0	0	111.6	L20 V21 S28	L20-N24 WeakPolarHBondContact O-CB 3.38Å; L20-N24 VanDerWaalsContact O-CG 3.24Å; L20-N24 PolarHBondContact O-N 3.43Å; L20-N24 PolarHBondContact O-ND2 2.86Å; V21-N24 PolarHBondContact O-N 3.25Å; N24-S28 PolarHBondContact O-N 3.02Å
25	H	97.7	Very high	96.2	Very high	8 Å²	8	40.1 Å²	40.1	4%	0.037	20%	0.203	C	C	.	.	H	α-helix	trans	-67.3	-46.9	175.1	-174.3	-155.7	0	0	0	111.8	V21 C22 L23 L27 S28 V34 M35 I55 Y97 L211	V21-H25 WeakPolarHBondContact O-CB 3.15Å; V21-H25 PolarHBondContact O-N 3.26Å; C22-H25 PolarHBondContact O-N 3.19Å; L23-H25 VanDerWaalsContact C-N 3.26Å; L23-H25 PolarHBondContact O-N 2.99Å; H25-L27 PolarHBondContact O-N 3.5Å; H25-S28 WeakPolarHBondContact O-CB 2.8Å; H25-S28 PolarHBondContact O-N 3.04Å; H25-S28 PolarHBondContact O-OG 2.7Å; H25-V34 WeakPolarHBondContact NE2-CB 3.33Å; H25-M35 PolarHBondContact CE1-O 2.96Å; H25-M35 VanDerWaalsContact CE1-O 3.28Å; H25-I55 HydrophobicContact CB-CD1 4.3Å; H25-I55 VanDerWaalsContact CE1-CG2 3.47Å; H25-I55 WeakPolarHBondContact CE1-CG2 3.48Å; H25-Y97 AromaticContact ND1-CE2 3.71Å; H25-Y97 AromaticContact ND1-CZ 3.67Å; H25-Y97 PolarHBondContact ND1-OH 2.69Å; H25-L211 VanDerWaalsContact CD2-CD1 3.48Å; H25-L211 WeakPolarHBondContact CD2-CD1 3.39Å
26	A	97.6	Very high	96.2	Very high	0 Å²	0	38.1 Å²	38.1	0%	0	19%	0.194	C	C	.	.	H	α-helix	trans	-61	-31.5	178.6	0	0	0	0	0	113	C22 L23 S28 F130	C22-A26 WeakPolarHBondContact O-CB 3.33Å; C22-A26 PolarHBondContact O-N 3.08Å; L23-A26 PolarHBondContact O-N 3.4Å; A26-S28 VanDerWaalsContact C-N 3.34Å; A26-F130 HydrophobicContact CB-CB 3.88Å; A26-F130 HydrophobicContact CB-CG 4.42Å
27	L	97.2	Very high	96.1	Very high	74 Å²	74	36.7 Å²	36.7	39%	0.387	18%	0.184	S	C	.	.	T	Hydrogen-bonded Turn	trans	-86.4	0.9	176.6	-67.3	173.3	0	0	0	114	L23 H25 T29 C132 F133	L23-L27 HydrophobicContact CD1-CD1 3.83Å; L23-L27 HydrophobicContact CD1-CG 4.04Å; L23-L27 HydrophobicContact CG-CD1 3.91Å; L23-L27 HydrophobicContact CG-CG 4.49Å; L23-L27 WeakPolarHBondContact O-CB 3.36Å; L23-L27 VanDerWaalsContact O-CG 3.32Å; L23-L27 WeakPolarHBondContact O-CG 3.18Å; L23-L27 PolarHBondContact O-N 3.39Å; H25-L27 PolarHBondContact O-N 3.5Å; L27-T29 VanDerWaalsContact C-N 3.31Å; L27-T29 PolarHBondContact O-N 3.4Å; L27-C132 HydrophobicContact CD2-CB 4.02Å; L27-F133 HydrophobicContact CB-CZ 4.42Å; L27-F133 HydrophobicContact CD2-CE1 4.14Å; L27-F133 HydrophobicContact CD2-CE2 4.35Å; L27-F133 HydrophobicContact CD2-CZ 3.97Å
28	S	95.1	Very high	96.2	Very high	48 Å²	48	36.3 Å²	36.3	34%	0.336	18%	0.182	S	C	.	.	S	Bend	trans	-72.6	-24	-178.4	70	0	0	0	0	113.6	N24 H25 A26	N24-S28 PolarHBondContact O-N 3.02Å; H25-S28 WeakPolarHBondContact O-CB 2.8Å; H25-S28 PolarHBondContact O-N 3.04Å; H25-S28 PolarHBondContact O-OG 2.7Å; A26-S28 VanDerWaalsContact C-N 3.34Å
29	T	92.4	Very high	96.2	Very high	29 Å²	29	36.3 Å²	36.3	18%	0.178	18%	0.182	C	C	.	.			trans	-152.6	140.3	179.8	178.4	0	0	0	0	111	L27 K31 E32 V34 F133	L27-T29 VanDerWaalsContact C-N 3.31Å; L27-T29 PolarHBondContact O-N 3.4Å; T29-K31 PolarHBondContact OG1-N 2.82Å; T29-K31 VanDerWaalsContact OG1-N 3.16Å; T29-E32 HydrophobicContact CG2-CG 3.9Å; T29-E32 WeakPolarHBondContact CG2-O 3.39Å; T29-V34 HydrophobicContact CG2-CG1 3.49Å; T29-V34 VanDerWaalsContact CG2-CG1 3.49Å; T29-F133 VanDerWaalsContact O-CE2 3.25Å; T29-F133 WeakPolarHBondContact O-CE2 3.49Å
30	E	94.8	Very high	96.2	Very high	103 Å²	103	34.7 Å²	34.7	48%	0.481	18%	0.175	S	C	.	.	S	Bend	trans	-98.7	-7.2	171.7	64.9	-179.2	-160.7	0	0	112.4	P101 F133	E30-P101 WeakPolarHBondContact O-CB 3.35Å; E30-F133 HydrophobicContact CB-CD1 4.19Å; E30-F133 HydrophobicContact CB-CD2 3.82Å; E30-F133 HydrophobicContact CB-CE1 4.25Å; E30-F133 HydrophobicContact CB-CE2 3.91Å; E30-F133 HydrophobicContact CB-CG 3.96Å; E30-F133 HydrophobicContact CB-CZ 4.1Å
31	K	90.4	Very high	96.1	Very high	191 Å²	191	33.4 Å²	33.4	83%	0.83	17%	0.167	S	C	*	.	S	Bend	trans	-90.1	-28.3	-170.6	-65.9	-178.3	179.5	174.7	0	113.6	T29	T29-K31 PolarHBondContact OG1-N 2.82Å; T29-K31 VanDerWaalsContact OG1-N 3.16Å
32	E	90.3	Very high	96	Very high	56 Å²	56	35.2 Å²	35.2	26%	0.262	18%	0.178	S	C	.	.	S	Bend	trans	-142.8	153.4	-176.4	60.5	-174.2	-172	0	0	110.5	T29 K61	T29-E32 HydrophobicContact CG2-CG 3.9Å; T29-E32 WeakPolarHBondContact CG2-O 3.39Å; E32-K61 IonicContact OE1-NZ 2.64Å; E32-K61 PolarHBondContact OE1-NZ 3.13Å; E32-K61 VanDerWaalsContact OE2-CD 3.31Å; E32-K61 WeakPolarHBondContact OE2-CD 3.18Å; E32-K61 IonicContact OE2-NZ 3.03Å; E32-K61 PolarHBondContact OE2-NZ 2.67Å; E32-K61 VanDerWaalsContact OE2-NZ 3.14Å
33	E	93.5	Very high	95.8	Very high	17 Å²	17	37.8 Å²	37.8	8%	0.079	19%	0.192	C	C	.	.			trans	-73.9	137.2	173.5	-49.5	152.1	178.3	0	0	108.6	R58 V66 S99	E33-R58 WeakPolarHBondContact O-CD 3.42Å; E33-R58 PolarHBondContact O-NH1 3.28Å; E33-R58 IonicContact OE2-CZ 2.91Å; E33-R58 IonicContact OE2-NH1 3.87Å; E33-R58 PolarHBondContact OE2-NH1 2.8Å; E33-V66 WeakPolarHBondContact OE2-CG2 3.32Å; E33-S99 WeakPolarHBondContact CB-O 3.15Å; E33-S99 VanDerWaalsContact CG-O 3.26Å; E33-S99 WeakPolarHBondContact CG-O 3.24Å
34	V	94.2	Very high	95.4	Very high	11 Å²	11	41.2 Å²	41.2	7%	0.067	23%	0.225	C	C	.	.			trans	-101	163.7	171.9	-53.5	0	0	0	0	110.5	H25 T29 H98 S99	H25-V34 WeakPolarHBondContact NE2-CB 3.33Å; T29-V34 HydrophobicContact CG2-CG1 3.49Å; T29-V34 VanDerWaalsContact CG2-CG1 3.49Å; V34-H98 CarbonylContact O-C 3.51Å; V34-H98 WeakPolarHBondContact O-CA 3.37Å; V34-H98 WeakPolarHBondContact O-CB 3.37Å; V34-S99 PolarHBondContact N-OG 2.98Å; V34-S99 PolarHBondContact O-N 2.9Å
35	M	95.3	Very high	95.2	Very high	3 Å²	3	41.1 Å²	41.1	2%	0.015	23%	0.227	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-147	158.9	-179.2	66.7	-180	-64.2	0	0	113.6	H25 L56 R58 V66 I68 Y97 H98	H25-M35 PolarHBondContact CE1-O 2.96Å; H25-M35 VanDerWaalsContact CE1-O 3.28Å; M35-L56 HydrophobicContact CE-CD1 4.3Å; M35-L56 HydrophobicContact CG-CB 4.22Å; M35-L56 PolarHBondContact O-N 3.02Å; M35-L56 VanDerWaalsContact O-N 3.08Å; M35-L56 VanDerWaalsContact O-O 3.13Å; M35-R58 HydrophobicContact CG-CG 3.68Å; M35-R58 HydrophobicContact SD-CG 3.56Å; M35-R58 VanDerWaalsContact SD-CG 3.56Å; M35-V66 HydrophobicContact CB-CG1 3.72Å; M35-V66 HydrophobicContact CE-CG1 3.66Å; M35-V66 HydrophobicContact CG-CG1 4.25Å; M35-V66 HydrophobicContact SD-CG1 3.61Å; M35-I68 HydrophobicContact CE-CB 4.13Å; M35-I68 HydrophobicContact CE-CD1 4.25Å; M35-I68 HydrophobicContact CE-CG1 3.17Å; M35-Y97 CarbonylContact C-O 3.57Å; M35-Y97 VanDerWaalsContact CA-O 3.25Å; M35-Y97 WeakPolarHBondContact CA-O 3.34Å; M35-H98 HydrophobicContact CB-CB 4.23Å
36	G	96.8	Very high	94.9	Very high	0 Å²	0	45.4 Å²	45.4	0%	0	24%	0.243	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-164	177.3	173.4	0	0	0	0	0	113.3	I54 W96 Y97	G36-I54 CarbonylContact C-O 3.59Å; G36-I54 WeakPolarHBondContact CA-O 3.31Å; G36-W96 WeakPolarHBondContact O-CA 3.22Å; G36-Y97 PolarHBondContact N-O 2.94Å; G36-Y97 PolarHBondContact O-N 3.03Å
37	L	98.1	Very high	95	Very high	0 Å²	0	47 Å²	47	0%	0	25%	0.251	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-109.6	149.4	178.7	-77.1	169.4	0	0	0	111	V53 I54 L56 I68 L73 A76 V93 G95 W96 F125	L37-V53 CarbonylContact O-C 3.34Å; L37-V53 VanDerWaalsContact O-CA 3.23Å; L37-V53 WeakPolarHBondContact O-CA 3.38Å; L37-V53 WeakPolarHBondContact O-CB 3.49Å; L37-I54 HydrophobicContact CB-CB 4.43Å; L37-I54 PolarHBondContact N-O 2.93Å; L37-I54 PolarHBondContact O-N 3.46Å; L37-L56 HydrophobicContact CD1-CD1 3.85Å; L37-L56 HydrophobicContact CG-CD1 3.76Å; L37-I68 HydrophobicContact CD1-CG2 4.19Å; L37-I68 HydrophobicContact CD2-CD1 3.38Å; L37-I68 HydrophobicContact CG-CD1 4.03Å; L37-L73 HydrophobicContact CD1-CD2 4.16Å; L37-L73 HydrophobicContact CD2-CD2 4.13Å; L37-A76 HydrophobicContact CD1-CB 3.32Å; L37-V93 HydrophobicContact CB-CG1 4.44Å; L37-V93 HydrophobicContact CD1-CG1 4.48Å; L37-V93 HydrophobicContact CD2-CG1 3.8Å; L37-V93 HydrophobicContact CG-CG1 4.48Å; L37-G95 WeakPolarHBondContact CD2-O 3.37Å; L37-W96 HydrophobicContact CD2-CB 4.15Å; L37-F125 HydrophobicContact CD2-CZ 4.28Å
38	C	98.6	Very high	95	Very high	0 Å²	0	43.4 Å²	43.4	0%	0	23%	0.233	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-104.3	129.4	177.5	-58.2	0	0	0	0	109.9	I50 V94 G95	C38-I50 HydrophobicContact CB-CD1 4.05Å; C38-I50 HydrophobicContact CB-CG1 4.27Å; C38-I50 HydrophobicContact CB-CG2 3.86Å; C38-V94 HydrophobicContact CB-CG2 4.18Å; C38-V94 PolarHBondContact O-N 3.39Å; C38-G95 PolarHBondContact N-O 3.09Å
39	I	98.4	Very high	95.2	Very high	0 Å²	0	43 Å²	43	0%	0	23%	0.226	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-108	130.6	174.3	-59.6	-175.2	0	0	0	109.1	H51 S52 I54 E79 A80 L83 M91 R92	I39-H51 PolarHBondContact O-N 2.99Å; I39-S52 PolarHBondContact N-O 2.9Å; I39-S52 PolarHBondContact O-N 3.45Å; I39-S52 VanDerWaalsContact O-N 3.17Å; I39-I54 HydrophobicContact CD1-CD1 3.52Å; I39-I54 HydrophobicContact CD1-CG1 3.84Å; I39-I54 HydrophobicContact CG1-CD1 4.29Å; I39-I54 HydrophobicContact CG1-CG1 4.42Å; I39-E79 HydrophobicContact CD1-CG 4.19Å; I39-A80 HydrophobicContact CD1-CB 4.11Å; I39-A80 HydrophobicContact CG1-CB 4.49Å; I39-A80 HydrophobicContact CG2-CB 4.02Å; I39-L83 HydrophobicContact CD1-CD1 3.8Å; I39-L83 HydrophobicContact CG2-CD1 4.13Å; I39-M91 HydrophobicContact CG2-CB 4.08Å; I39-M91 HydrophobicContact CG2-CE 3.6Å; I39-R92 WeakPolarHBondContact CA-O 3.28Å
40	G	98.2	Very high	95.5	Very high	0 Å²	0	41.6 Å²	41.6	0%	0	22%	0.217	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-169.5	-161.7	-173.1	0	0	0	0	0	112.8	H49 M91 R92 V94	G40-H49 CarbonylContact C-O 3.55Å; G40-H49 WeakPolarHBondContact CA-O 3.42Å; G40-M91 WeakPolarHBondContact O-CA 3.43Å; G40-R92 PolarHBondContact N-O 2.85Å; G40-R92 PolarHBondContact O-N 3.44Å; G40-R92 VanDerWaalsContact O-O 3.1Å; G40-V94 VanDerWaalsContact C-CG1 3.5Å
41	E	97.3	Very high	95.6	Very high	39 Å²	39	37.5 Å²	37.5	18%	0.182	20%	0.198	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-134.1	163.7	172.5	64.2	-170.3	-164.1	0	0	110.1	H49 R89 P90	E41-H49 HydrophobicContact CG-CB 4.15Å; E41-H49 PolarHBondContact N-O 3.5Å; E41-H49 PolarHBondContact O-N 3.3Å; E41-R89 IonicContact OE1-CZ 3.9Å; E41-R89 IonicContact OE1-NE 2.95Å; E41-R89 IonicContact OE1-NH2 3.53Å; E41-R89 PolarHBondContact OE1-NH2 3.24Å; E41-R89 IonicContact OE2-CZ 3.87Å; E41-R89 IonicContact OE2-NE 3.32Å; E41-R89 IonicContact OE2-NH2 3.7Å; E41-P90 HydrophobicContact CB-CG 4.25Å; E41-P90 VanDerWaalsContact OE2-CD 3.28Å; E41-P90 WeakPolarHBondContact OE2-CD 3.42Å; E41-P90 WeakPolarHBondContact OE2-CG 3.39Å
42	V	96.3	Very high	96	Very high	43 Å²	43	28.6 Å²	28.6	26%	0.261	16%	0.159	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-124.5	124.7	174.8	-176.9	0	0	0	0	107.6	I47 V48 V94	V42-I47 WeakPolarHBondContact CA-O 3.43Å; V42-V48 HydrophobicContact CG2-CB 4.42Å; V42-V48 HydrophobicContact CG2-CG1 4.37Å; V42-V48 HydrophobicContact CG2-CG2 3.9Å; V42-V94 HydrophobicContact CG2-CG1 3.98Å
43	D	94.1	Very high	96.4	Very high	53 Å²	53	26 Å²	26	28%	0.283	15%	0.147	S	C	.	.			trans	-82.3	174.1	-177.9	70	22.6	0	0	0	112.7	V45 R46 I47 H49	D43-V45 PolarHBondContact O-N 2.92Å; D43-V45 VanDerWaalsContact O-N 3.17Å; D43-V45 VanDerWaalsContact OD1-C 3.31Å; D43-V45 WeakPolarHBondContact OD1-CA 3.45Å; D43-V45 WeakPolarHBondContact OD1-CG2 3.44Å; D43-V45 PolarHBondContact OD1-N 3.03Å; D43-R46 PolarHBondContact O-N 3.08Å; D43-R46 PolarHBondContact OD1-N 2.87Å; D43-R46 VanDerWaalsContact OD1-N 3.08Å; D43-I47 PolarHBondContact N-O 2.92Å; D43-I47 PolarHBondContact OD1-N 2.85Å; D43-I47 WeakPolarHBondContact OD2-CB 3.49Å; D43-H49 IonicContact OD2-CD2 3.9Å; D43-H49 IonicContact OD2-CE1 3.98Å; D43-H49 IonicContact OD2-NE2 2.99Å; D43-H49 PolarHBondContact OD2-NE2 3.02Å
44	A	90.4	Very high	96.5	Very high	108 Å²	108	26.7 Å²	26.7	89%	0.893	15%	0.152	S	C	*	.	T	Hydrogen-bonded Turn	trans	-63.5	-20.7	-178.3	0	0	0	0	0	113.7	R46	A44-R46 VanDerWaalsContact C-N 3.34Å
45	V	92	Very high	96.6	Very high	80 Å²	80	26.8 Å²	26.8	49%	0.485	15%	0.151	S	C	.	.	T	Hydrogen-bonded Turn	trans	-96	14.1	177.1	-64.5	0	0	0	0	112.1	Q10 D43 I47	Q10-V45 PolarHBondContact NE2-O 2.8Å; D43-V45 PolarHBondContact O-N 2.92Å; D43-V45 VanDerWaalsContact O-N 3.17Å; D43-V45 VanDerWaalsContact OD1-C 3.31Å; D43-V45 WeakPolarHBondContact OD1-CA 3.45Å; D43-V45 WeakPolarHBondContact OD1-CG2 3.44Å; D43-V45 PolarHBondContact OD1-N 3.03Å; V45-I47 VanDerWaalsContact C-N 3.31Å; V45-I47 HydrophobicContact CG2-CD1 3.87Å; V45-I47 HydrophobicContact CG2-CG1 4.03Å; V45-I47 PolarHBondContact O-N 3.04Å
46	R	93.2	Very high	96.5	Very high	98 Å²	98	27.5 Å²	27.5	37%	0.37	16%	0.155	S	C	.	.			trans	58.4	40.4	179.8	-54.2	-173.5	177.3	-131.5	-6.8	112.7	Q7 V9 Q10 D43 A44	Q7-R46 PolarHBondContact O-NH1 2.81Å; V9-R46 WeakPolarHBondContact CG1-O 2.99Å; Q10-R46 PolarHBondContact N-O 2.78Å; D43-R46 PolarHBondContact O-N 3.08Å; D43-R46 PolarHBondContact OD1-N 2.87Å; D43-R46 VanDerWaalsContact OD1-N 3.08Å; A44-R46 VanDerWaalsContact C-N 3.34Å
47	I	97.8	Very high	95.9	Very high	33 Å²	33	30.4 Å²	30.4	17%	0.169	17%	0.166	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-96.4	130.3	161.6	-60.2	170.8	0	0	0	107.7	A11 V42 D43 V45 H49	A11-I47 HydrophobicContact CB-CG1 4.32Å; A11-I47 HydrophobicContact CB-CG2 4.37Å; A11-I47 WeakPolarHBondContact O-CA 3.45Å; V42-I47 WeakPolarHBondContact CA-O 3.43Å; D43-I47 PolarHBondContact N-O 2.92Å; D43-I47 PolarHBondContact OD1-N 2.85Å; D43-I47 WeakPolarHBondContact OD2-CB 3.49Å; V45-I47 VanDerWaalsContact C-N 3.31Å; V45-I47 HydrophobicContact CG2-CD1 3.87Å; V45-I47 HydrophobicContact CG2-CG1 4.03Å; V45-I47 PolarHBondContact O-N 3.04Å; I47-H49 PolarHBondContact O-CD2 2.94Å
48	V	98.4	Very high	95.1	Very high	0 Å²	0	31.2 Å²	31.2	0%	0	17%	0.169	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-90.1	123.8	176.2	-179.9	0	0	0	0	108.3	V9 A11 V12 H13 V42 I50 V94 V126	V9-V48 HydrophobicContact CB-CG2 4.41Å; V9-V48 HydrophobicContact CG1-CB 4.46Å; V9-V48 HydrophobicContact CG1-CG2 3.64Å; V9-V48 HydrophobicContact CG2-CG2 3.84Å; A11-V48 PolarHBondContact O-N 2.87Å; V12-V48 CarbonylContact C-O 3.54Å; V12-V48 WeakPolarHBondContact CA-O 3.33Å; V12-V48 HydrophobicContact CG2-CB 4.18Å; H13-V48 PolarHBondContact N-O 3.41Å; V42-V48 HydrophobicContact CG2-CB 4.42Å; V42-V48 HydrophobicContact CG2-CG1 4.37Å; V42-V48 HydrophobicContact CG2-CG2 3.9Å; V48-I50 HydrophobicContact CG1-CG1 4.01Å; V48-V94 HydrophobicContact CG1-CB 3.79Å; V48-V94 HydrophobicContact CG1-CG1 4.43Å; V48-V94 HydrophobicContact CG1-CG2 3.74Å; V48-V126 HydrophobicContact CG1-CG2 4.25Å; V48-V126 HydrophobicContact CG2-CG1 4.06Å
49	H	98.5	Very high	93.8	Very high	39 Å²	39	35.7 Å²	35.7	18%	0.181	20%	0.201	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-107.7	112.5	175.1	-58.4	-96.3	0	0	0	108.7	H13 G40 E41 D43 I47 H51	H13-H49 AromaticContact CG-ND1 3.94Å; H13-H49 AromaticContact ND1-CE1 3.33Å; H13-H49 PolarHBondContact ND1-CE1 2.99Å; H13-H49 VanDerWaalsContact ND1-CE1 3.33Å; H13-H49 AromaticContact ND1-ND1 3.46Å; H13-H49 PolarHBondContact ND1-ND1 3.06Å; H13-H49 CarbonylContact O-C 3.52Å; H13-H49 WeakPolarHBondContact O-CA 3.44Å; G40-H49 CarbonylContact C-O 3.55Å; G40-H49 WeakPolarHBondContact CA-O 3.42Å; E41-H49 HydrophobicContact CG-CB 4.15Å; E41-H49 PolarHBondContact N-O 3.5Å; E41-H49 PolarHBondContact O-N 3.3Å; D43-H49 IonicContact OD2-CD2 3.9Å; D43-H49 IonicContact OD2-CE1 3.98Å; D43-H49 IonicContact OD2-NE2 2.99Å; D43-H49 PolarHBondContact OD2-NE2 3.02Å; I47-H49 PolarHBondContact O-CD2 2.94Å; H49-H51 PolarHBondContact O-NE2 2.86Å
50	I	98.7	Very high	92.5	Very high	0 Å²	0	37.6 Å²	37.6	0%	0	21%	0.211	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-97.9	117	-179.6	-57.2	172.9	0	0	0	108.7	V12 H13 L14 E15 A18 C38 V48 V53 V94 L128	V12-I50 HydrophobicContact CG1-CD1 3.64Å; V12-I50 HydrophobicContact CG1-CG1 4.17Å; H13-I50 PolarHBondContact O-N 3.17Å; L14-I50 HydrophobicContact CD1-CB 3.69Å; L14-I50 HydrophobicContact CD1-CD1 4.23Å; L14-I50 HydrophobicContact CD1-CG2 3.55Å; E15-I50 PolarHBondContact N-O 3.49Å; A18-I50 HydrophobicContact CB-CG2 4.41Å; C38-I50 HydrophobicContact CB-CD1 4.05Å; C38-I50 HydrophobicContact CB-CG1 4.27Å; C38-I50 HydrophobicContact CB-CG2 3.86Å; V48-I50 HydrophobicContact CG1-CG1 4.01Å; I50-V53 HydrophobicContact CG2-CG1 4.45Å; I50-V94 HydrophobicContact CG1-CG2 4Å; I50-L128 HydrophobicContact CD1-CD1 3.96Å; I50-L128 HydrophobicContact CD1-CD2 4.29Å
51	H	98.1	Very high	91.4	Very high	16 Å²	16	42.4 Å²	42.4	7%	0.074	23%	0.232	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-101.9	-30.4	-175.9	-62.4	-58.5	0	0	0	113.2	E15 I39 H49 R89 M91 C204	E15-H51 IonicContact OE1-CE1 3.34Å; E15-H51 PolarHBondContact OE1-CE1 3.16Å; E15-H51 IonicContact OE1-CG 3.21Å; E15-H51 IonicContact OE1-ND1 2.68Å; E15-H51 PolarHBondContact OE1-ND1 2.84Å; E15-H51 WeakPolarHBondContact OE2-CA 3.28Å; E15-H51 IonicContact OE2-ND1 3.51Å; I39-H51 PolarHBondContact O-N 2.99Å; H49-H51 PolarHBondContact O-NE2 2.86Å; H51-R89 PolarHBondContact CD2-NH1 2.94Å; H51-R89 VanDerWaalsContact CE1-CZ 3.46Å; H51-R89 PolarHBondContact CE1-NH1 2.98Å; H51-R89 PolarHBondContact CE1-NH2 3.36Å; H51-R89 PolarHBondContact ND1-NH1 3.21Å; H51-R89 VanDerWaalsContact NE2-CZ 3.29Å; H51-R89 PolarHBondContact NE2-NH1 3.17Å; H51-R89 PolarHBondContact NE2-NH2 2.91Å; H51-M91 HydrophobicContact CB-CE 3.7Å; H51-M91 HydrophobicContact CB-SD 4.49Å; H51-C204 PolarHBondContact O-SG 2.98Å; H51-C204 VanDerWaalsContact O-SG 3.36Å
52	S	97.5	Very high	90.3	Very high	4 Å²	4	47.6 Å²	47.6	3%	0.028	25%	0.249	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-155.7	171.1	-179.2	61.3	0	0	0	0	110.8	I39	I39-S52 PolarHBondContact N-O 2.9Å; I39-S52 PolarHBondContact O-N 3.45Å; I39-S52 VanDerWaalsContact O-N 3.17Å
53	V	98.1	Very high	89.2	Confident	1 Å²	1	54.3 Å²	54.3	1%	0.006	28%	0.275	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-135.7	153.1	179.6	-61.8	0	0	0	0	111.7	A18 V21 C22 L37 I50 Y97 S207	A18-V53 HydrophobicContact CB-CG1 4.32Å; V21-V53 HydrophobicContact CB-CG2 3.68Å; V21-V53 HydrophobicContact CG1-CG2 3.42Å; V21-V53 VanDerWaalsContact CG1-CG2 3.42Å; C22-V53 VanDerWaalsContact SG-CG1 3.58Å; L37-V53 CarbonylContact O-C 3.34Å; L37-V53 VanDerWaalsContact O-CA 3.23Å; L37-V53 WeakPolarHBondContact O-CA 3.38Å; L37-V53 WeakPolarHBondContact O-CB 3.49Å; I50-V53 HydrophobicContact CG2-CG1 4.45Å; V53-Y97 HydrophobicContact CB-CE1 4.03Å; V53-Y97 HydrophobicContact CG1-CE1 4.28Å; V53-Y97 HydrophobicContact CG2-CE1 4.41Å; V53-S207 VanDerWaalsContact O-CB 3.24Å; V53-S207 WeakPolarHBondContact O-CB 3.48Å; V53-S207 PolarHBondContact O-OG 2.66Å
54	I	97.1	Very high	87.9	Confident	33 Å²	33	55.4 Å²	55.4	17%	0.169	28%	0.281	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-106.9	123.7	169.6	-63.6	175.3	0	0	0	107.9	G36 L37 I39 L56 A76 E79	G36-I54 CarbonylContact C-O 3.59Å; G36-I54 WeakPolarHBondContact CA-O 3.31Å; L37-I54 HydrophobicContact CB-CB 4.43Å; L37-I54 PolarHBondContact N-O 2.93Å; L37-I54 PolarHBondContact O-N 3.46Å; I39-I54 HydrophobicContact CD1-CD1 3.52Å; I39-I54 HydrophobicContact CD1-CG1 3.84Å; I39-I54 HydrophobicContact CG1-CD1 4.29Å; I39-I54 HydrophobicContact CG1-CG1 4.42Å; I54-L56 HydrophobicContact CG2-CD2 3.87Å; I54-A76 HydrophobicContact CD1-CB 3.71Å; I54-E79 HydrophobicContact CD1-CB 3.93Å; I54-E79 HydrophobicContact CD1-CG 3.87Å; I54-E79 HydrophobicContact CG1-CG 4.49Å
55	I	95.8	Very high	87.1	Confident	12 Å²	12	54.8 Å²	54.8	6%	0.062	26%	0.256	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-75.8	124.1	171.8	-63.8	-176.2	0	0	0	107.8	V21 H25 S207 L211 I214	V21-I55 HydrophobicContact CG1-CD1 4.05Å; V21-I55 HydrophobicContact CG1-CG1 4.26Å; H25-I55 HydrophobicContact CB-CD1 4.3Å; H25-I55 VanDerWaalsContact CE1-CG2 3.47Å; H25-I55 WeakPolarHBondContact CE1-CG2 3.48Å; I55-S207 WeakPolarHBondContact CD1-O 3.46Å; I55-L211 HydrophobicContact CD1-CB 3.79Å; I55-L211 HydrophobicContact CD1-CD1 4.47Å; I55-L211 HydrophobicContact CG2-CD1 4.17Å; I55-I214 HydrophobicContact CB-CD1 3.87Å; I55-I214 HydrophobicContact CG2-CD1 3.5Å; I55-I214 VanDerWaalsContact CG2-CD1 3.5Å; I55-I214 WeakPolarHBondContact O-CD1 3.43Å
56	L	92.8	Very high	86.1	Confident	18 Å²	18	51.1 Å²	51.1	9%	0.094	23%	0.233	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-107.6	143.4	178.5	-66.7	-177.1	0	0	0	111	M35 L37 I54 I68 Q72	M35-L56 HydrophobicContact CE-CD1 4.3Å; M35-L56 HydrophobicContact CG-CB 4.22Å; M35-L56 PolarHBondContact O-N 3.02Å; M35-L56 VanDerWaalsContact O-N 3.08Å; M35-L56 VanDerWaalsContact O-O 3.13Å; L37-L56 HydrophobicContact CD1-CD1 3.85Å; L37-L56 HydrophobicContact CG-CD1 3.76Å; I54-L56 HydrophobicContact CG2-CD2 3.87Å; L56-I68 HydrophobicContact CD1-CG1 4.13Å; L56-I68 HydrophobicContact CD1-CG2 3.75Å; L56-Q72 HydrophobicContact CD1-CB 4.38Å; L56-Q72 HydrophobicContact CD2-CB 4.28Å; L56-Q72 HydrophobicContact CD2-CG 4.42Å
57	R	85.6	Confident	85.3	Confident	62 Å²	62	51.2 Å²	51.2	23%	0.234	24%	0.238	C	C	.	.			trans	-78.4	137.6	167.6	168.9	164.7	-177.5	-162.8	9.7	110.8	Q72 I214 E218 D221	R57-Q72 PolarHBondContact O-NE2 3.26Å; R57-I214 HydrophobicContact CB-CG2 4.02Å; R57-E218 HydrophobicContact CG-CG 3.89Å; R57-E218 WeakPolarHBondContact CG-OE1 3.16Å; R57-E218 VanDerWaalsContact NE-CG 3.29Å; R57-D221 IonicContact CZ-OD2 3.84Å; R57-D221 IonicContact NH1-OD2 3.71Å; R57-D221 PolarHBondContact NH1-OD2 3.31Å; R57-D221 VanDerWaalsContact NH2-CB 3.26Å; R57-D221 IonicContact NH2-OD2 2.67Å; R57-D221 PolarHBondContact NH2-OD2 2.83Å
58	R	79.3	Confident	84.6	Confident	16 Å²	16	50.1 Å²	50.1	6%	0.06	23%	0.233	C	C	.	.			trans	-85.4	119	169.5	-74.8	-168.5	67.5	177.3	2.2	111.2	E33 M35 D60 R62 R65	E33-R58 WeakPolarHBondContact O-CD 3.42Å; E33-R58 PolarHBondContact O-NH1 3.28Å; E33-R58 IonicContact OE2-CZ 2.91Å; E33-R58 IonicContact OE2-NH1 3.87Å; E33-R58 PolarHBondContact OE2-NH1 2.8Å; M35-R58 HydrophobicContact CG-CG 3.68Å; M35-R58 HydrophobicContact SD-CG 3.56Å; M35-R58 VanDerWaalsContact SD-CG 3.56Å; R58-D60 VanDerWaalsContact CZ-O 3.31Å; R58-D60 PolarHBondContact NE-O 3.27Å; R58-D60 PolarHBondContact NH2-O 2.93Å; R58-R62 PolarHBondContact NH2-O 3.12Å; R58-R65 PolarHBondContact NH2-O 3.42Å
59	S	71.7	Confident	84	Confident	95 Å²	95	51.6 Å²	51.6	66%	0.664	24%	0.243	S	C	*	.	S	Bend	trans	-79.2	-35.8	170.6	54.3	0	0	0	0	112.1
60	D	72	Confident	83.4	Confident	39 Å²	39	54.4 Å²	54.4	21%	0.209	26%	0.264	C	S	.	.			trans	-106.6	116.9	174.1	-165.9	-19.1	0	0	0	109.9	R58 R62 R65	R58-D60 VanDerWaalsContact CZ-O 3.31Å; R58-D60 PolarHBondContact NE-O 3.27Å; R58-D60 PolarHBondContact NH2-O 2.93Å; D60-R62 WeakPolarHBondContact OD1-CB 3.45Å; D60-R62 WeakPolarHBondContact OD1-CG 3.48Å; D60-R62 IonicContact OD1-CZ 3.08Å; D60-R62 PolarHBondContact OD1-N 3.19Å; D60-R62 VanDerWaalsContact OD1-N 3.1Å; D60-R62 IonicContact OD1-NE 3.97Å; D60-R62 PolarHBondContact OD1-NE 3.37Å; D60-R62 VanDerWaalsContact OD1-NE 3.08Å; D60-R62 IonicContact OD1-NH2 3.35Å; D60-R62 IonicContact OD2-CZ 3.17Å; D60-R62 IonicContact OD2-NE 2.73Å; D60-R62 PolarHBondContact OD2-NE 3.32Å; D60-R62 VanDerWaalsContact OD2-NE 3.17Å; D60-R62 IonicContact OD2-NH2 3.75Å; D60-R62 PolarHBondContact OD2-NH2 2.96Å; D60-R65 WeakPolarHBondContact OD2-CD 3.37Å; D60-R65 IonicContact OD2-CZ 2.84Å; D60-R65 IonicContact OD2-NE 3.99Å; D60-R65 IonicContact OD2-NH1 3.97Å; D60-R65 PolarHBondContact OD2-NH1 3.4Å
61	K	75.3	Confident	83	Confident	101 Å²	101	60.7 Å²	60.7	44%	0.439	29%	0.294	S	S	.	.			trans	-97.7	12.9	-177.3	-64.7	-174.4	171.4	-126.5	0	113.2	E32 E218	E32-K61 IonicContact OE1-NZ 2.64Å; E32-K61 PolarHBondContact OE1-NZ 3.13Å; E32-K61 VanDerWaalsContact OE2-CD 3.31Å; E32-K61 WeakPolarHBondContact OE2-CD 3.18Å; E32-K61 IonicContact OE2-NZ 3.03Å; E32-K61 PolarHBondContact OE2-NZ 2.67Å; E32-K61 VanDerWaalsContact OE2-NZ 3.14Å; K61-E218 IonicContact NZ-OE2 2.68Å; K61-E218 PolarHBondContact NZ-OE2 3.1Å
62	R	74.4	Confident	82.6	Confident	148 Å²	148	61.7 Å²	61.7	56%	0.558	30%	0.298	S	S	*	.			trans	-67.7	145.5	174	-74.3	-177.9	-74.9	-175.5	-10.3	111.2	R58 D60 R65	R58-R62 PolarHBondContact NH2-O 3.12Å; D60-R62 WeakPolarHBondContact OD1-CB 3.45Å; D60-R62 WeakPolarHBondContact OD1-CG 3.48Å; D60-R62 IonicContact OD1-CZ 3.08Å; D60-R62 PolarHBondContact OD1-N 3.19Å; D60-R62 VanDerWaalsContact OD1-N 3.1Å; D60-R62 IonicContact OD1-NE 3.97Å; D60-R62 PolarHBondContact OD1-NE 3.37Å; D60-R62 VanDerWaalsContact OD1-NE 3.08Å; D60-R62 IonicContact OD1-NH2 3.35Å; D60-R62 IonicContact OD2-CZ 3.17Å; D60-R62 IonicContact OD2-NE 2.73Å; D60-R62 PolarHBondContact OD2-NE 3.32Å; D60-R62 VanDerWaalsContact OD2-NE 3.17Å; D60-R62 IonicContact OD2-NH2 3.75Å; D60-R62 PolarHBondContact OD2-NH2 2.96Å; R62-R65 HydrophobicContact CB-CB 4.4Å; R62-R65 PolarHBondContact O-N 2.83Å
63	K	72.4	Confident	82.3	Confident	185 Å²	185	63.3 Å²	63.3	80%	0.804	31%	0.306	S	S	*	.	T	Hydrogen-bonded Turn	trans	-57.9	143.6	174.5	-65.5	-169.6	176.7	-170.1	0	110.8	R65	K63-R65 PolarHBondContact O-N 3.05Å
64	D	66.5	Low	82.1	Confident	76 Å²	76	66.8 Å²	66.8	41%	0.406	33%	0.331	S	S	.	.	T	Hydrogen-bonded Turn	trans	60.6	12.9	175.6	-47.6	-57	0	0	0	115.1	V110	D64-V110 HydrophobicContact CB-CG2 4.47Å; D64-V110 WeakPolarHBondContact O-CG1 3.21Å
65	R	74.7	Confident	81.9	Confident	95 Å²	95	68.1 Å²	68.1	36%	0.358	35%	0.347	S	S	.	.			trans	-117.9	72	-179.2	-162	172.5	-174	-136.7	-0.8	112.2	R58 D60 R62 K63 E67	R58-R65 PolarHBondContact NH2-O 3.42Å; D60-R65 WeakPolarHBondContact OD2-CD 3.37Å; D60-R65 IonicContact OD2-CZ 2.84Å; D60-R65 IonicContact OD2-NE 3.99Å; D60-R65 IonicContact OD2-NH1 3.97Å; D60-R65 PolarHBondContact OD2-NH1 3.4Å; R62-R65 HydrophobicContact CB-CB 4.4Å; R62-R65 PolarHBondContact O-N 2.83Å; K63-R65 PolarHBondContact O-N 3.05Å; R65-E67 IonicContact CZ-OE1 3.2Å; R65-E67 IonicContact NE-OE1 3.36Å; R65-E67 PolarHBondContact NE-OE1 2.69Å; R65-E67 IonicContact NH2-OE1 2.96Å; R65-E67 PolarHBondContact NH2-OE1 3.4Å; R65-E67 IonicContact NH2-OE2 3.72Å; R65-E67 PolarHBondContact NH2-OE2 2.96Å
66	V	70.7	Confident	81.9	Confident	2 Å²	2	67.6 Å²	67.6	1%	0.012	35%	0.345	C	S	.	.			trans	-96.7	99.4	175.4	-170.6	0	0	0	0	108.7	E33 M35 W96 H98	E33-V66 WeakPolarHBondContact OE2-CG2 3.32Å; M35-V66 HydrophobicContact CB-CG1 3.72Å; M35-V66 HydrophobicContact CE-CG1 3.66Å; M35-V66 HydrophobicContact CG-CG1 4.25Å; M35-V66 HydrophobicContact SD-CG1 3.61Å; V66-W96 HydrophobicContact CB-CZ3 4.13Å; V66-W96 HydrophobicContact CG1-CE3 4.3Å; V66-W96 HydrophobicContact CG1-CZ3 3.71Å; V66-H98 HydrophobicContact CG1-CB 4.17Å
67	E	76.7	Confident	82	Confident	100 Å²	100	69.3 Å²	69.3	47%	0.467	36%	0.358	S	S	.	.			trans	-126.8	129.3	176.4	-69.2	172.6	-145.4	0	0	108.6	R65	R65-E67 IonicContact CZ-OE1 3.2Å; R65-E67 IonicContact NE-OE1 3.36Å; R65-E67 PolarHBondContact NE-OE1 2.69Å; R65-E67 IonicContact NH2-OE1 2.96Å; R65-E67 PolarHBondContact NH2-OE1 3.4Å; R65-E67 IonicContact NH2-OE2 3.72Å; R65-E67 PolarHBondContact NH2-OE2 2.96Å
68	I	82.9	Confident	82.6	Confident	11 Å²	11	70.4 Å²	70.4	6%	0.056	37%	0.372	C	S	.	.			trans	-85.3	127.1	173.1	-53.2	157.7	0	0	0	108.2	M35 L37 L56 Q72 L73 W96 Y118	M35-I68 HydrophobicContact CE-CB 4.13Å; M35-I68 HydrophobicContact CE-CD1 4.25Å; M35-I68 HydrophobicContact CE-CG1 3.17Å; L37-I68 HydrophobicContact CD1-CG2 4.19Å; L37-I68 HydrophobicContact CD2-CD1 3.38Å; L37-I68 HydrophobicContact CG-CD1 4.03Å; L56-I68 HydrophobicContact CD1-CG1 4.13Å; L56-I68 HydrophobicContact CD1-CG2 3.75Å; I68-Q72 HydrophobicContact CG2-CB 3.65Å; I68-L73 HydrophobicContact CB-CG 4.42Å; I68-L73 HydrophobicContact CG2-CD2 3.96Å; I68-L73 HydrophobicContact CG2-CG 3.8Å; I68-W96 HydrophobicContact CD1-CB 3.84Å; I68-W96 HydrophobicContact CD1-CG 4.46Å; I68-Y118 WeakPolarHBondContact CA-OH 3.43Å; I68-Y118 WeakPolarHBondContact CB-OH 3.2Å; I68-Y118 HydrophobicContact CD1-CE1 4.37Å; I68-Y118 HydrophobicContact CD1-CE2 3.99Å; I68-Y118 WeakPolarHBondContact CG1-OH 3.39Å; I68-Y118 PolarHBondContact N-OH 3.11Å
69	S	85.9	Confident	83.4	Confident	31 Å²	31	72.4 Å²	72.4	22%	0.217	38%	0.382	C	S	.	.			trans	-71.5	153.7	179.5	93.4	0	0	0	0	111.8	E71 Q72 L73	S69-E71 WeakPolarHBondContact CB-OE2 3.36Å; S69-E71 PolarHBondContact O-N 2.87Å; S69-E71 PolarHBondContact OG-N 3.15Å; S69-E71 PolarHBondContact OG-OE2 2.87Å; S69-Q72 WeakPolarHBondContact O-CB 3.4Å; S69-Q72 PolarHBondContact O-N 3.42Å; S69-Q72 PolarHBondContact OG-N 3.45Å; S69-L73 PolarHBondContact O-N 3.35Å
70	P	86.3	Confident	84.6	Confident	97 Å²	97	68 Å²	68	63%	0.63	35%	0.351	S	S	*	.	H	α-helix	trans	-55.7	-34.1	174.7	-26.1	35.7	0	0	0	113.3	L73 S74	P70-L73 PolarHBondContact O-N 3.46Å; P70-S74 WeakPolarHBondContact O-CB 3.41Å; P70-S74 PolarHBondContact O-N 3.46Å
71	E	89.4	Confident	85.8	Confident	133 Å²	133	71.7 Å²	71.7	62%	0.621	37%	0.367	S	S	*	.	H	α-helix	trans	-66.6	-40	176.8	-56.6	72.7	-156.5	0	0	111.4	S69 S74 A75	S69-E71 WeakPolarHBondContact CB-OE2 3.36Å; S69-E71 PolarHBondContact O-N 2.87Å; S69-E71 PolarHBondContact OG-N 3.15Å; S69-E71 PolarHBondContact OG-OE2 2.87Å; E71-S74 PolarHBondContact O-N 3.36Å; E71-A75 WeakPolarHBondContact O-CB 3.3Å; E71-A75 PolarHBondContact O-N 3.03Å
72	Q	90.6	Very high	86.8	Confident	36 Å²	36	71.3 Å²	71.3	17%	0.168	36%	0.363	C	S	.	.	H	α-helix	trans	-67.5	-41.1	175.4	-69.2	177.3	-52.5	0	0	111.7	L56 R57 I68 S69 S74 A75 A76	L56-Q72 HydrophobicContact CD1-CB 4.38Å; L56-Q72 HydrophobicContact CD2-CB 4.28Å; L56-Q72 HydrophobicContact CD2-CG 4.42Å; R57-Q72 PolarHBondContact O-NE2 3.26Å; I68-Q72 HydrophobicContact CG2-CB 3.65Å; S69-Q72 WeakPolarHBondContact O-CB 3.4Å; S69-Q72 PolarHBondContact O-N 3.42Å; S69-Q72 PolarHBondContact OG-N 3.45Å; Q72-S74 VanDerWaalsContact C-N 3.35Å; Q72-A75 PolarHBondContact O-N 2.64Å; Q72-A76 VanDerWaalsContact O-CB 3.31Å; Q72-A76 WeakPolarHBondContact O-CB 3.38Å; Q72-A76 PolarHBondContact O-N 3.39Å
73	L	90.6	Very high	87.8	Confident	38 Å²	38	64.4 Å²	64.4	20%	0.199	34%	0.337	C	S	.	.	H	α-helix	trans	-62.1	-43	173.6	-73.6	172.6	0	0	0	111.6	L37 I68 S69 P70 A76 S77 Y118 M121	L37-L73 HydrophobicContact CD1-CD2 4.16Å; L37-L73 HydrophobicContact CD2-CD2 4.13Å; I68-L73 HydrophobicContact CB-CG 4.42Å; I68-L73 HydrophobicContact CG2-CD2 3.96Å; I68-L73 HydrophobicContact CG2-CG 3.8Å; S69-L73 PolarHBondContact O-N 3.35Å; P70-L73 PolarHBondContact O-N 3.46Å; L73-A76 PolarHBondContact O-N 3.32Å; L73-S77 PolarHBondContact O-N 3.29Å; L73-Y118 HydrophobicContact CD1-CE1 4.19Å; L73-M121 HydrophobicContact CD1-CE 4.28Å
74	S	93.1	Very high	89	Confident	74 Å²	74	56.7 Å²	56.7	52%	0.517	31%	0.308	S	S	.	.	H	α-helix	trans	-61.8	-49.2	176.9	-175.5	0	0	0	0	111.6	P70 E71 Q72 A76 S77 T78	P70-S74 WeakPolarHBondContact O-CB 3.41Å; P70-S74 PolarHBondContact O-N 3.46Å; E71-S74 PolarHBondContact O-N 3.36Å; Q72-S74 VanDerWaalsContact C-N 3.35Å; S74-A76 VanDerWaalsContact C-N 3.31Å; S74-A76 PolarHBondContact O-N 3Å; S74-S77 WeakPolarHBondContact O-CB 3.23Å; S74-S77 PolarHBondContact O-N 3.45Å; S74-S77 VanDerWaalsContact O-N 3.11Å; S74-T78 PolarHBondContact O-N 2.94Å; S74-T78 PolarHBondContact O-OG1 2.94Å
75	A	93.8	Very high	90.5	Very high	61 Å²	61	61.1 Å²	61.1	50%	0.504	33%	0.326	S	S	.	.	H	α-helix	trans	-60.2	-40.2	176.8	0	0	0	0	0	112.4	E71 Q72 T78 E79	E71-A75 WeakPolarHBondContact O-CB 3.3Å; E71-A75 PolarHBondContact O-N 3.03Å; Q72-A75 PolarHBondContact O-N 2.64Å; A75-T78 PolarHBondContact O-N 2.94Å; A75-E79 PolarHBondContact O-N 3.26Å
76	A	95	Very high	91.4	Very high	2 Å²	2	61.7 Å²	61.7	2%	0.017	34%	0.336	C	S	.	.	H	α-helix	trans	-67.6	-34.5	175.7	0	0	0	0	0	112.9	L37 I54 Q72 L73 S74 E79 A80 V93	L37-A76 HydrophobicContact CD1-CB 3.32Å; I54-A76 HydrophobicContact CD1-CB 3.71Å; Q72-A76 VanDerWaalsContact O-CB 3.31Å; Q72-A76 WeakPolarHBondContact O-CB 3.38Å; Q72-A76 PolarHBondContact O-N 3.39Å; L73-A76 PolarHBondContact O-N 3.32Å; S74-A76 VanDerWaalsContact C-N 3.31Å; S74-A76 PolarHBondContact O-N 3Å; A76-E79 PolarHBondContact O-N 2.84Å; A76-A80 WeakPolarHBondContact O-CB 3.42Å; A76-A80 PolarHBondContact O-N 3.24Å; A76-V93 HydrophobicContact CB-CG2 3.88Å
77	S	95.6	Very high	92.4	Very high	53 Å²	53	64.7 Å²	64.7	37%	0.371	35%	0.354	S	S	.	.	H	α-helix	trans	-64.3	-45.7	173.4	-165.8	0	0	0	0	111.2	L73 S74 E79 A80 E81	L73-S77 PolarHBondContact O-N 3.29Å; S74-S77 WeakPolarHBondContact O-CB 3.23Å; S74-S77 PolarHBondContact O-N 3.45Å; S74-S77 VanDerWaalsContact O-N 3.11Å; S77-E79 VanDerWaalsContact C-N 3.31Å; S77-E79 PolarHBondContact O-N 2.84Å; S77-A80 PolarHBondContact O-N 3.35Å; S77-E81 WeakPolarHBondContact O-CG 3.42Å; S77-E81 PolarHBondContact O-N 3.32Å
78	T	97.1	Very high	93.3	Very high	86 Å²	86	63.3 Å²	63.3	53%	0.528	37%	0.367	S	S	.	.	H	α-helix	trans	-60.2	-41.1	175	-57.9	0	0	0	0	111.8	S74 A75 E81 R82	S74-T78 PolarHBondContact O-N 2.94Å; S74-T78 PolarHBondContact O-OG1 2.94Å; A75-T78 PolarHBondContact O-N 2.94Å; T78-E81 PolarHBondContact O-N 3.47Å; T78-R82 PolarHBondContact O-N 2.73Å
79	E	96.1	Very high	93.9	Very high	58 Å²	58	66.7 Å²	66.7	27%	0.271	38%	0.379	S	S	.	.	H	α-helix	trans	-66.8	-38.2	176.2	179.4	56.9	-166	0	0	112	I39 I54 A75 A76 S77 R82 L83	I39-E79 HydrophobicContact CD1-CG 4.19Å; I54-E79 HydrophobicContact CD1-CB 3.93Å; I54-E79 HydrophobicContact CD1-CG 3.87Å; I54-E79 HydrophobicContact CG1-CG 4.49Å; A75-E79 PolarHBondContact O-N 3.26Å; A76-E79 PolarHBondContact O-N 2.84Å; S77-E79 VanDerWaalsContact C-N 3.31Å; S77-E79 PolarHBondContact O-N 2.84Å; E79-R82 WeakPolarHBondContact O-CB 3.37Å; E79-R82 PolarHBondContact O-N 3.47Å; E79-R82 IonicContact OE1-CZ 3.53Å; E79-R82 IonicContact OE1-NE 3.88Å; E79-R82 PolarHBondContact OE1-NE 3.46Å; E79-R82 IonicContact OE1-NH2 3.7Å; E79-R82 PolarHBondContact OE1-NH2 3.18Å; E79-R82 IonicContact OE2-CZ 3.88Å; E79-R82 IonicContact OE2-NE 3.75Å; E79-R82 PolarHBondContact OE2-NE 2.9Å; E79-R82 IonicContact OE2-NH2 3.33Å; E79-L83 HydrophobicContact CG-CD1 4.31Å; E79-L83 VanDerWaalsContact O-CG 3.31Å; E79-L83 WeakPolarHBondContact O-CG 3.46Å; E79-L83 PolarHBondContact O-N 3.41Å
80	A	97.1	Very high	94.4	Very high	2 Å²	2	69.7 Å²	69.7	2%	0.017	40%	0.398	C	S	.	.	H	α-helix	trans	-64.1	-40.2	175.3	0	0	0	0	0	112.2	I39 A76 S77 L83 A84	I39-A80 HydrophobicContact CD1-CB 4.11Å; I39-A80 HydrophobicContact CG1-CB 4.49Å; I39-A80 HydrophobicContact CG2-CB 4.02Å; A76-A80 WeakPolarHBondContact O-CB 3.42Å; A76-A80 PolarHBondContact O-N 3.24Å; S77-A80 PolarHBondContact O-N 3.35Å; A80-L83 PolarHBondContact O-N 3.01Å; A80-A84 WeakPolarHBondContact O-CB 3.24Å; A80-A84 PolarHBondContact O-N 3.4Å
81	E	97.6	Very high	94.9	Very high	116 Å²	116	65.9 Å²	65.9	54%	0.542	37%	0.372	S	S	.	.	H	α-helix	trans	-60.1	-46.6	173	-72.7	169.5	-171.5	0	0	111.4	S77 T78 L83 A84 E85	S77-E81 WeakPolarHBondContact O-CG 3.42Å; S77-E81 PolarHBondContact O-N 3.32Å; T78-E81 PolarHBondContact O-N 3.47Å; E81-L83 VanDerWaalsContact C-N 3.3Å; E81-L83 PolarHBondContact O-N 3.42Å; E81-A84 WeakPolarHBondContact O-CB 3.43Å; E81-A84 PolarHBondContact O-N 3.32Å; E81-A84 VanDerWaalsContact O-N 3.12Å; E81-E85 PolarHBondContact O-N 3.26Å
82	R	97.1	Very high	95.3	Very high	94 Å²	94	63.3 Å²	63.3	36%	0.355	36%	0.356	S	S	.	.	H	α-helix	trans	-58.7	-42.4	175.6	-169.4	-162.2	70.3	77.9	-7.1	111.9	T78 E79 L86	T78-R82 PolarHBondContact O-N 2.73Å; E79-R82 WeakPolarHBondContact O-CB 3.37Å; E79-R82 PolarHBondContact O-N 3.47Å; E79-R82 IonicContact OE1-CZ 3.53Å; E79-R82 IonicContact OE1-NE 3.88Å; E79-R82 PolarHBondContact OE1-NE 3.46Å; E79-R82 IonicContact OE1-NH2 3.7Å; E79-R82 PolarHBondContact OE1-NH2 3.18Å; E79-R82 IonicContact OE2-CZ 3.88Å; E79-R82 IonicContact OE2-NE 3.75Å; E79-R82 PolarHBondContact OE2-NE 2.9Å; E79-R82 IonicContact OE2-NH2 3.33Å; R82-L86 WeakPolarHBondContact O-CB 3.28Å; R82-L86 PolarHBondContact O-N 2.67Å
83	L	95.7	Very high	95.7	Very high	2 Å²	2	62.9 Å²	62.9	1%	0.01	36%	0.356	C	S	.	.	H	α-helix	trans	-68.8	-34.5	177	-71	176.1	0	0	0	112.1	I39 E79 A80 E81 L86 T87 M91 V203	I39-L83 HydrophobicContact CD1-CD1 3.8Å; I39-L83 HydrophobicContact CG2-CD1 4.13Å; E79-L83 HydrophobicContact CG-CD1 4.31Å; E79-L83 VanDerWaalsContact O-CG 3.31Å; E79-L83 WeakPolarHBondContact O-CG 3.46Å; E79-L83 PolarHBondContact O-N 3.41Å; A80-L83 PolarHBondContact O-N 3.01Å; E81-L83 VanDerWaalsContact C-N 3.3Å; E81-L83 PolarHBondContact O-N 3.42Å; L83-L86 PolarHBondContact O-N 3Å; L83-T87 WeakPolarHBondContact O-CB 3.45Å; L83-T87 WeakPolarHBondContact O-CG2 3.41Å; L83-T87 PolarHBondContact O-N 2.78Å; L83-T87 PolarHBondContact O-OG1 2.92Å; L83-M91 HydrophobicContact CB-CB 4.28Å; L83-M91 HydrophobicContact CB-CG 4.27Å; L83-V203 HydrophobicContact CD1-CG1 3.88Å; L83-V203 HydrophobicContact CD2-CB 4.31Å; L83-V203 HydrophobicContact CD2-CG1 3.7Å; L83-V203 HydrophobicContact CD2-CG2 3.57Å; L83-V203 HydrophobicContact CG-CG1 4.47Å
84	A	97	Very high	96	Very high	24 Å²	24	61 Å²	61	20%	0.198	35%	0.346	C	S	.	.	H	α-helix	trans	-62.4	-46.8	175.4	0	0	0	0	0	111	A80 E81 G88 R89 M91	A80-A84 WeakPolarHBondContact O-CB 3.24Å; A80-A84 PolarHBondContact O-N 3.4Å; E81-A84 WeakPolarHBondContact O-CB 3.43Å; E81-A84 PolarHBondContact O-N 3.32Å; E81-A84 VanDerWaalsContact O-N 3.12Å; A84-G88 WeakPolarHBondContact O-CA 3.23Å; A84-G88 PolarHBondContact O-N 2.94Å; A84-R89 WeakPolarHBondContact CA-O 3.28Å; A84-R89 WeakPolarHBondContact CB-O 3.3Å; A84-R89 PolarHBondContact O-N 3.01Å; A84-M91 HydrophobicContact CB-CB 3.98Å; A84-M91 HydrophobicContact CB-CG 4.43Å
85	E	97.1	Very high	96.3	Very high	168 Å²	168	57.5 Å²	57.5	79%	0.785	32%	0.322	S	S	*	.	H	α-helix	trans	-62.3	-43.5	175.2	-68.7	-179.6	174	0	0	112.2	E81 T87	E81-E85 PolarHBondContact O-N 3.26Å; E85-T87 PolarHBondContact O-N 3.02Å
86	L	93.5	Very high	96.5	Very high	108 Å²	108	54.6 Å²	54.6	57%	0.565	30%	0.298	S	S	*	.	H	α-helix	trans	-66.9	-37.7	-178	179.5	62.9	0	0	0	112.9	R82 L83	R82-L86 WeakPolarHBondContact O-CB 3.28Å; R82-L86 PolarHBondContact O-N 2.67Å; L83-L86 PolarHBondContact O-N 3Å
87	T	93	Very high	96.7	Very high	65 Å²	65	54.5 Å²	54.5	40%	0.399	30%	0.297	S	S	.	.	H	α-helix	trans	-99.6	-14.8	-172.9	62	0	0	0	0	113.3	L83 E85 R89	L83-T87 WeakPolarHBondContact O-CB 3.45Å; L83-T87 WeakPolarHBondContact O-CG2 3.41Å; L83-T87 PolarHBondContact O-N 2.78Å; L83-T87 PolarHBondContact O-OG1 2.92Å; E85-T87 PolarHBondContact O-N 3.02Å; T87-R89 PolarHBondContact O-N 3.18Å; T87-R89 PolarHBondContact OG1-N 2.81Å
88	G	95.4	Very high	96.8	Very high	71 Å²	71	52 Å²	52	73%	0.732	28%	0.279	S	S	*	.	T	Hydrogen-bonded Turn	trans	68.2	19.2	-171.6	0	0	0	0	0	113.4	A84	A84-G88 WeakPolarHBondContact O-CA 3.23Å; A84-G88 PolarHBondContact O-N 2.94Å
89	R	94.9	Very high	96.8	Very high	81 Å²	81	47.9 Å²	47.9	31%	0.306	25%	0.254	S	S	.	.	S	Bend	trans	-111.5	151	-179.2	-60.7	-177.5	68.5	-172.9	3.7	110.7	E41 H51 A84 T87 M91	E41-R89 IonicContact OE1-CZ 3.9Å; E41-R89 IonicContact OE1-NE 2.95Å; E41-R89 IonicContact OE1-NH2 3.53Å; E41-R89 PolarHBondContact OE1-NH2 3.24Å; E41-R89 IonicContact OE2-CZ 3.87Å; E41-R89 IonicContact OE2-NE 3.32Å; E41-R89 IonicContact OE2-NH2 3.7Å; H51-R89 PolarHBondContact CD2-NH1 2.94Å; H51-R89 VanDerWaalsContact CE1-CZ 3.46Å; H51-R89 PolarHBondContact CE1-NH1 2.98Å; H51-R89 PolarHBondContact CE1-NH2 3.36Å; H51-R89 PolarHBondContact ND1-NH1 3.21Å; H51-R89 VanDerWaalsContact NE2-CZ 3.29Å; H51-R89 PolarHBondContact NE2-NH1 3.17Å; H51-R89 PolarHBondContact NE2-NH2 2.91Å; A84-R89 WeakPolarHBondContact CA-O 3.28Å; A84-R89 WeakPolarHBondContact CB-O 3.3Å; A84-R89 PolarHBondContact O-N 3.01Å; T87-R89 PolarHBondContact O-N 3.18Å; T87-R89 PolarHBondContact OG1-N 2.81Å; R89-M91 HydrophobicContact CB-CG 4.1Å; R89-M91 HydrophobicContact CB-SD 4.13Å; R89-M91 PolarHBondContact O-N 3.43Å
90	P	96.4	Very high	96.9	Very high	95 Å²	95	45.4 Å²	45.4	62%	0.617	24%	0.242	S	C	*	.			trans	-74.8	60.1	178.7	33.4	-38.6	0	0	0	112.6	E41	E41-P90 HydrophobicContact CB-CG 4.25Å; E41-P90 VanDerWaalsContact OE2-CD 3.28Å; E41-P90 WeakPolarHBondContact OE2-CD 3.42Å; E41-P90 WeakPolarHBondContact OE2-CG 3.39Å
91	M	97.6	Very high	96.8	Very high	17 Å²	17	46 Å²	46	8%	0.084	25%	0.246	C	C	.	.			trans	-67.9	132.6	-178.3	-57.9	-65.6	-76.2	0	0	110.9	I39 G40 H51 L83 A84 R89	I39-M91 HydrophobicContact CG2-CB 4.08Å; I39-M91 HydrophobicContact CG2-CE 3.6Å; G40-M91 WeakPolarHBondContact O-CA 3.43Å; H51-M91 HydrophobicContact CB-CE 3.7Å; H51-M91 HydrophobicContact CB-SD 4.49Å; L83-M91 HydrophobicContact CB-CB 4.28Å; L83-M91 HydrophobicContact CB-CG 4.27Å; A84-M91 HydrophobicContact CB-CB 3.98Å; A84-M91 HydrophobicContact CB-CG 4.43Å; R89-M91 HydrophobicContact CB-CG 4.1Å; R89-M91 HydrophobicContact CB-SD 4.13Å; R89-M91 PolarHBondContact O-N 3.43Å
92	R	97.4	Very high	96.8	Very high	79 Å²	79	45.6 Å²	45.6	30%	0.298	24%	0.244	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-148.9	168.5	176.4	63.6	-178.1	-168.7	83.2	-20.5	110.6	I39 G40 V94 D122	I39-R92 WeakPolarHBondContact CA-O 3.28Å; G40-R92 PolarHBondContact N-O 2.85Å; G40-R92 PolarHBondContact O-N 3.44Å; G40-R92 VanDerWaalsContact O-O 3.1Å; R92-V94 HydrophobicContact CG-CG1 3.76Å; R92-V94 PolarHBondContact O-N 3.35Å; R92-D122 IonicContact CZ-OD2 3.14Å; R92-D122 VanDerWaalsContact CZ-OD2 3.25Å; R92-D122 IonicContact NH1-OD2 3.22Å; R92-D122 PolarHBondContact NH1-OD2 3.05Å; R92-D122 IonicContact NH2-OD1 2.85Å; R92-D122 IonicContact NH2-OD2 2.81Å; R92-D122 PolarHBondContact NH2-OD2 2.98Å
93	V	98	Very high	96.7	Very high	26 Å²	26	44.6 Å²	44.6	16%	0.158	25%	0.245	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-69.7	122.8	167.8	-171.4	0	0	0	0	108.2	L37 A76 F125	L37-V93 HydrophobicContact CB-CG1 4.44Å; L37-V93 HydrophobicContact CD1-CG1 4.48Å; L37-V93 HydrophobicContact CD2-CG1 3.8Å; L37-V93 HydrophobicContact CG-CG1 4.48Å; A76-V93 HydrophobicContact CB-CG2 3.88Å; V93-F125 HydrophobicContact CG1-CE2 3.99Å
94	V	98.2	Very high	96.8	Very high	0 Å²	0	48.8 Å²	48.8	0%	0	27%	0.271	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-120.7	-9.3	-174.8	-65	0	0	0	0	113.6	C38 G40 V42 V48 I50 R92 F125 V126	C38-V94 HydrophobicContact CB-CG2 4.18Å; C38-V94 PolarHBondContact O-N 3.39Å; G40-V94 VanDerWaalsContact C-CG1 3.5Å; V42-V94 HydrophobicContact CG2-CG1 3.98Å; V48-V94 HydrophobicContact CG1-CB 3.79Å; V48-V94 HydrophobicContact CG1-CG1 4.43Å; V48-V94 HydrophobicContact CG1-CG2 3.74Å; I50-V94 HydrophobicContact CG1-CG2 4Å; R92-V94 HydrophobicContact CG-CG1 3.76Å; R92-V94 PolarHBondContact O-N 3.35Å; V94-F125 WeakPolarHBondContact O-CA 3.31Å; V94-V126 PolarHBondContact O-N 3.38Å; V94-V126 VanDerWaalsContact O-N 3.16Å
95	G	98.2	Very high	96.8	Very high	0 Å²	0	48.4 Å²	48.4	0%	0	27%	0.266	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-179.7	-172.7	-178.8	0	0	0	0	0	112.8	L37 C38 F125 V126	L37-G95 WeakPolarHBondContact CD2-O 3.37Å; C38-G95 PolarHBondContact N-O 3.09Å; G95-F125 VanDerWaalsContact C-CZ 3.49Å; G95-V126 CarbonylContact C-O 3.57Å; G95-V126 WeakPolarHBondContact CA-O 3.33Å
96	W	98.4	Very high	96.9	Very high	0 Å²	0	46.1 Å²	46.1	0%	0	25%	0.25	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-141.9	159.7	179.7	68	-55.5	0	0	0	109.8	G36 L37 V66 I68 H98 T114 Q115 Y118 F125 V126 L128 F149	G36-W96 WeakPolarHBondContact O-CA 3.22Å; L37-W96 HydrophobicContact CD2-CB 4.15Å; V66-W96 HydrophobicContact CB-CZ3 4.13Å; V66-W96 HydrophobicContact CG1-CE3 4.3Å; V66-W96 HydrophobicContact CG1-CZ3 3.71Å; I68-W96 HydrophobicContact CD1-CB 3.84Å; I68-W96 HydrophobicContact CD1-CG 4.46Å; W96-H98 AromaticContact CH2-CE1 3.9Å; W96-H98 AromaticContact CH2-ND1 3.77Å; W96-H98 AromaticContact CZ3-ND1 3.52Å; W96-T114 HydrophobicContact CH2-CG2 3.94Å; W96-T114 HydrophobicContact CZ2-CG2 4.06Å; W96-T114 HydrophobicContact CZ3-CG2 4.49Å; W96-Q115 HydrophobicContact CZ2-CB 4.41Å; W96-Y118 HydrophobicContact CD2-CD2 4.47Å; W96-Y118 HydrophobicContact CD2-CE2 4.26Å; W96-F125 HydrophobicContact CB-CE1 4.09Å; W96-F125 HydrophobicContact CB-CZ 4.03Å; W96-F125 AromaticContact CD1-CD1 3.88Å; W96-F125 AromaticContact CD1-CE1 3.14Å; W96-F125 AromaticContact CD1-CZ 3.96Å; W96-F125 AromaticContact CG-CE1 3.8Å; W96-F125 HydrophobicContact CG-CE1 3.8Å; W96-F125 HydrophobicContact CG-CZ 4.24Å; W96-F125 AromaticContact NE1-CE1 3.86Å; W96-V126 VanDerWaalsContact CD1-O 3.29Å; W96-V126 PolarHBondContact N-O 3.13Å; W96-L128 WeakPolarHBondContact O-CD1 3.39Å; W96-L128 PolarHBondContact O-N 2.94Å; W96-F149 HydrophobicContact CZ2-CZ 4.24Å
97	Y	98.6	Very high	97	Very high	0 Å²	0	41.8 Å²	41.8	0%	0	23%	0.228	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-136.8	153.5	171.5	74.6	-85.3	0	0	0	111.2	C22 H25 M35 G36 V53 L128 F130	C22-Y97 HydrophobicContact CB-CD2 4.37Å; C22-Y97 HydrophobicContact CB-CE2 4.28Å; H25-Y97 AromaticContact ND1-CE2 3.71Å; H25-Y97 AromaticContact ND1-CZ 3.67Å; H25-Y97 PolarHBondContact ND1-OH 2.69Å; M35-Y97 CarbonylContact C-O 3.57Å; M35-Y97 VanDerWaalsContact CA-O 3.25Å; M35-Y97 WeakPolarHBondContact CA-O 3.34Å; G36-Y97 PolarHBondContact N-O 2.94Å; G36-Y97 PolarHBondContact O-N 3.03Å; V53-Y97 HydrophobicContact CB-CE1 4.03Å; V53-Y97 HydrophobicContact CG1-CE1 4.28Å; V53-Y97 HydrophobicContact CG2-CE1 4.41Å; Y97-L128 WeakPolarHBondContact CA-O 3.33Å; Y97-F130 HydrophobicContact CD2-CD2 4.25Å; Y97-F130 HydrophobicContact CD2-CE2 4.29Å; Y97-F130 HydrophobicContact CG-CE2 4.42Å
98	H	97.8	Very high	97.1	Very high	0 Å²	0	40.2 Å²	40.2	0%	0	22%	0.22	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-143.4	168.7	166	68.8	-76.2	0	0	0	112.1	V34 M35 V66 W96 H100 D111 L128 I129 F130	V34-H98 CarbonylContact O-C 3.51Å; V34-H98 WeakPolarHBondContact O-CA 3.37Å; V34-H98 WeakPolarHBondContact O-CB 3.37Å; M35-H98 HydrophobicContact CB-CB 4.23Å; V66-H98 HydrophobicContact CG1-CB 4.17Å; W96-H98 AromaticContact CH2-CE1 3.9Å; W96-H98 AromaticContact CH2-ND1 3.77Å; W96-H98 AromaticContact CZ3-ND1 3.52Å; H98-H100 AromaticContact CD2-CD2 3.51Å; H98-H100 AromaticContact CD2-NE2 3.58Å; H98-H100 AromaticContact NE2-CD2 3.42Å; H98-H100 PolarHBondContact NE2-CD2 3.33Å; H98-H100 AromaticContact NE2-CE1 4Å; H98-H100 AromaticContact NE2-NE2 2.98Å; H98-H100 PolarHBondContact NE2-NE2 2.93Å; H98-D111 IonicContact CE1-OD1 3.25Å; H98-D111 PolarHBondContact CE1-OD1 2.97Å; H98-D111 VanDerWaalsContact CE1-OD1 3.32Å; H98-D111 IonicContact NE2-OD1 3.82Å; H98-D111 PolarHBondContact NE2-OD1 2.91Å; H98-D111 IonicContact NE2-OD2 2.83Å; H98-L128 PolarHBondContact N-O 3.27Å; H98-L128 VanDerWaalsContact N-O 3.11Å; H98-I129 VanDerWaalsContact CE1-CG1 3.49Å; H98-I129 WeakPolarHBondContact CE1-CG1 3.43Å; H98-I129 WeakPolarHBondContact O-CA 3.43Å; H98-F130 PolarHBondContact O-N 3.35Å
99	S	97.6	Very high	96.9	Very high	0 Å²	0	44.9 Å²	44.9	0%	0	22%	0.223	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-105.3	151	177.5	73	0	0	0	0	112.8	E33 V34 F130	E33-S99 WeakPolarHBondContact CB-O 3.15Å; E33-S99 VanDerWaalsContact CG-O 3.26Å; E33-S99 WeakPolarHBondContact CG-O 3.24Å; V34-S99 PolarHBondContact N-OG 2.98Å; V34-S99 PolarHBondContact O-N 2.9Å; S99-F130 CarbonylContact C-O 3.52Å; S99-F130 VanDerWaalsContact CA-O 3.24Å; S99-F130 WeakPolarHBondContact CA-O 3.41Å
100	H	97.6	Very high	96.8	Very high	5 Å²	5	43.9 Å²	43.9	2%	0.023	23%	0.226	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-122	80.9	177.3	-92	-160.8	0	0	0	108.2	H98 H102 I103 T104 W106 D111 I129 F130 S131 C132	H98-H100 AromaticContact CD2-CD2 3.51Å; H98-H100 AromaticContact CD2-NE2 3.58Å; H98-H100 AromaticContact NE2-CD2 3.42Å; H98-H100 PolarHBondContact NE2-CD2 3.33Å; H98-H100 AromaticContact NE2-CE1 4Å; H98-H100 AromaticContact NE2-NE2 2.98Å; H98-H100 PolarHBondContact NE2-NE2 2.93Å; H100-H102 PolarHBondContact O-N 3.47Å; H100-I103 HydrophobicContact CB-CD1 3.89Å; H100-I103 HydrophobicContact CB-CG1 3.39Å; H100-T104 PolarHBondContact ND1-O 2.77Å; H100-W106 PolarHBondContact CE1-O 3.17Å; H100-D111 IonicContact CE1-OD2 3.19Å; H100-D111 IonicContact NE2-OD2 3.82Å; H100-I129 HydrophobicContact CB-CG2 3.93Å; H100-F130 PolarHBondContact N-O 3.45Å; H100-S131 WeakPolarHBondContact O-CA 3.34Å; H100-C132 PolarHBondContact O-N 2.82Å
101	P	96.9	Very high	96.8	Very high	16 Å²	16	39.6 Å²	39.6	10%	0.104	20%	0.197	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-70.1	129.8	178.8	28.9	-33.2	0	0	0	110.4	E30 I103 F133	E30-P101 WeakPolarHBondContact O-CB 3.35Å; P101-I103 PolarHBondContact O-N 2.76Å; P101-F133 HydrophobicContact CB-CD2 4.04Å
102	H	97.2	Very high	96.7	Very high	107 Å²	107	39.4 Å²	39.4	50%	0.495	20%	0.197	S	C	.	.	T	Hydrogen-bonded Turn	trans	58.6	9.7	179	-51.4	-63	0	0	0	116.2	H100 C132 F133	H100-H102 PolarHBondContact O-N 3.47Å; H102-C132 PolarHBondContact N-O 2.66Å; H102-F133 WeakPolarHBondContact CE1-CB 3.34Å; H102-F133 PolarHBondContact CE1-O 2.83Å; H102-F133 PolarHBondContact ND1-O 3.25Å
103	I	95.2	Very high	96.5	Very high	72 Å²	72	41.7 Å²	41.7	37%	0.369	21%	0.206	S	C	.	.	S	Bend	trans	-124.6	162.6	178.5	67.9	-176.5	0	0	0	110.4	H100 P101 S131	H100-I103 HydrophobicContact CB-CD1 3.89Å; H100-I103 HydrophobicContact CB-CG1 3.39Å; P101-I103 PolarHBondContact O-N 2.76Å; I103-S131 PolarHBondContact O-OG 3.19Å
104	T	96.3	Very high	96.2	Very high	91 Å²	91	41 Å²	41	56%	0.558	20%	0.202	S	C	*	.			trans	-64.3	155.1	-174.6	69.2	0	0	0	0	112.2	H100 W106	H100-T104 PolarHBondContact ND1-O 2.77Å; T104-W106 PolarHBondContact O-N 2.93Å
105	V	97.9	Very high	96.1	Very high	16 Å²	16	41 Å²	41	10%	0.097	20%	0.202	C	C	.	.	S	Bend	trans	-69.2	-10.6	178	75.6	0	0	0	0	114.4	I129 L145 T147	V105-I129 HydrophobicContact CG2-CB 4.47Å; V105-I129 HydrophobicContact CG2-CG2 4.42Å; V105-L145 HydrophobicContact CB-CB 4Å; V105-L145 HydrophobicContact CG1-CB 4.3Å; V105-L145 HydrophobicContact CG2-CB 4.11Å; V105-T147 HydrophobicContact CG2-CG2 3.86Å; V105-T147 VanDerWaalsContact O-CG2 3.3Å; V105-T147 WeakPolarHBondContact O-CG2 3.48Å
106	W	97.9	Very high	95.9	Very high	120 Å²	120	41.3 Å²	41.3	46%	0.455	20%	0.204	S	C	.	.	S	Bend	trans	-72.2	137.5	-177.6	-58.9	115.8	0	0	0	111.8	H100 T104 R187	H100-W106 PolarHBondContact CE1-O 3.17Å; T104-W106 PolarHBondContact O-N 2.93Å; W106-R187 VanDerWaalsContact CE3-CZ 3.45Å
107	P	96.4	Very high	95.6	Very high	16 Å²	16	47 Å²	47	10%	0.104	23%	0.232	C	C	.	.	P	Polyproline II helix	trans	-64.7	137.7	178	26.9	-33.8	0	0	0	110.8	D111 V112 I129 F149 R187	P107-D111 HydrophobicContact CB-CB 3.79Å; P107-V112 HydrophobicContact CB-CG2 4.07Å; P107-V112 HydrophobicContact CG-CG2 4.17Å; P107-I129 HydrophobicContact CB-CD1 3.68Å; P107-F149 HydrophobicContact CB-CD1 4.43Å; P107-F149 HydrophobicContact CB-CD2 4.21Å; P107-F149 HydrophobicContact CB-CE1 4.17Å; P107-F149 HydrophobicContact CB-CE2 3.92Å; P107-F149 HydrophobicContact CB-CG 4.46Å; P107-F149 HydrophobicContact CB-CZ 3.91Å; P107-F149 HydrophobicContact CG-CD1 4.45Å; P107-F149 HydrophobicContact CG-CD2 4.1Å; P107-F149 HydrophobicContact CG-CE2 4.31Å; P107-F149 HydrophobicContact CG-CG 4.17Å; P107-R187 HydrophobicContact CG-CB 4.04Å; P107-R187 HydrophobicContact CG-CG 4.42Å
108	S	94.7	Very high	95.4	Very high	32 Å²	32	47.8 Å²	47.8	22%	0.224	24%	0.235	C	C	.	.	P	Polyproline II helix	trans	-70.6	172.8	170	75.3	0	0	0	0	111.3	V110 D111 V112	S108-V110 PolarHBondContact O-N 2.97Å; S108-V110 PolarHBondContact OG-N 2.91Å; S108-D111 VanDerWaalsContact CB-OD2 3.3Å; S108-D111 WeakPolarHBondContact CB-OD2 3.36Å; S108-D111 PolarHBondContact N-OD2 2.77Å; S108-D111 PolarHBondContact O-N 3.06Å; S108-D111 PolarHBondContact OG-N 3.02Å; S108-D111 VanDerWaalsContact OG-N 3.13Å; S108-D111 PolarHBondContact OG-OD2 2.87Å; S108-V112 WeakPolarHBondContact O-CG2 3.11Å; S108-V112 PolarHBondContact O-N 3.11Å; S108-V112 VanDerWaalsContact O-N 3.1Å
109	H	92.3	Very high	95.2	Very high	170 Å²	170	48.1 Å²	48.1	79%	0.787	24%	0.237	S	C	*	.	H	α-helix	trans	-66	-28.6	174.7	-69	59.8	0	0	0	112	R113	H109-R113 WeakPolarHBondContact O-CB 3.45Å; H109-R113 PolarHBondContact O-N 3.16Å
110	V	92.6	Very high	94.9	Very high	60 Å²	60	55 Å²	55	36%	0.364	27%	0.27	S	S	.	.	H	α-helix	trans	-71.2	-43.9	175.6	-174	0	0	0	0	109.6	D64 S108 V112 R113 T114	D64-V110 HydrophobicContact CB-CG2 4.47Å; D64-V110 WeakPolarHBondContact O-CG1 3.21Å; S108-V110 PolarHBondContact O-N 2.97Å; S108-V110 PolarHBondContact OG-N 2.91Å; V110-V112 VanDerWaalsContact C-N 3.34Å; V110-V112 PolarHBondContact O-N 2.88Å; V110-R113 PolarHBondContact O-N 2.82Å; V110-R113 VanDerWaalsContact O-N 3.14Å; V110-T114 WeakPolarHBondContact O-CB 3.38Å; V110-T114 PolarHBondContact O-N 2.88Å; V110-T114 PolarHBondContact O-OG1 2.96Å; V110-T114 VanDerWaalsContact O-OG1 3.12Å
111	D	95.3	Very high	94.5	Very high	4 Å²	4	61 Å²	61	2%	0.021	30%	0.3	C	S	.	.	H	α-helix	trans	-58.6	-45	177.1	-59.1	-43.8	0	0	0	112	H98 H100 P107 S108 R113 T114 Q115 F149	H98-D111 IonicContact CE1-OD1 3.25Å; H98-D111 PolarHBondContact CE1-OD1 2.97Å; H98-D111 VanDerWaalsContact CE1-OD1 3.32Å; H98-D111 IonicContact NE2-OD1 3.82Å; H98-D111 PolarHBondContact NE2-OD1 2.91Å; H98-D111 IonicContact NE2-OD2 2.83Å; H100-D111 IonicContact CE1-OD2 3.19Å; H100-D111 IonicContact NE2-OD2 3.82Å; P107-D111 HydrophobicContact CB-CB 3.79Å; S108-D111 VanDerWaalsContact CB-OD2 3.3Å; S108-D111 WeakPolarHBondContact CB-OD2 3.36Å; S108-D111 PolarHBondContact N-OD2 2.77Å; S108-D111 PolarHBondContact O-N 3.06Å; S108-D111 PolarHBondContact OG-N 3.02Å; S108-D111 VanDerWaalsContact OG-N 3.13Å; S108-D111 PolarHBondContact OG-OD2 2.87Å; D111-R113 VanDerWaalsContact C-N 3.34Å; D111-R113 PolarHBondContact O-N 3.44Å; D111-T114 PolarHBondContact O-N 3.3Å; D111-Q115 WeakPolarHBondContact O-CB 3.37Å; D111-Q115 PolarHBondContact O-N 3.47Å; D111-F149 HydrophobicContact CB-CZ 4.14Å
112	V	95.6	Very high	94.3	Very high	13 Å²	13	62.4 Å²	62.4	8%	0.079	31%	0.307	C	S	.	.	H	α-helix	trans	-63.5	-39.6	178	175.9	0	0	0	0	111.3	P107 S108 V110 A116 S151 Y185 R187	P107-V112 HydrophobicContact CB-CG2 4.07Å; P107-V112 HydrophobicContact CG-CG2 4.17Å; S108-V112 WeakPolarHBondContact O-CG2 3.11Å; S108-V112 PolarHBondContact O-N 3.11Å; S108-V112 VanDerWaalsContact O-N 3.1Å; V110-V112 VanDerWaalsContact C-N 3.34Å; V110-V112 PolarHBondContact O-N 2.88Å; V112-A116 WeakPolarHBondContact O-CB 3.04Å; V112-A116 PolarHBondContact O-N 2.92Å; V112-S151 WeakPolarHBondContact CG1-OG 3.47Å; V112-S151 WeakPolarHBondContact O-CB 3.34Å; V112-S151 PolarHBondContact O-OG 3.22Å; V112-Y185 WeakPolarHBondContact CG1-O 3.18Å; V112-R187 HydrophobicContact CG2-CB 3.88Å
113	R	93.1	Very high	94	Very high	128 Å²	128	61 Å²	61	48%	0.483	30%	0.301	S	S	.	.	H	α-helix	trans	-68.6	-45	176.9	-176.8	179.5	-74.7	-178.9	-5.5	111.5	H109 V110 D111 Q115 A116 M117 E182	H109-R113 WeakPolarHBondContact O-CB 3.45Å; H109-R113 PolarHBondContact O-N 3.16Å; V110-R113 PolarHBondContact O-N 2.82Å; V110-R113 VanDerWaalsContact O-N 3.14Å; D111-R113 VanDerWaalsContact C-N 3.34Å; D111-R113 PolarHBondContact O-N 3.44Å; R113-Q115 VanDerWaalsContact C-N 3.34Å; R113-Q115 PolarHBondContact O-N 2.64Å; R113-A116 WeakPolarHBondContact O-CB 3.25Å; R113-A116 PolarHBondContact O-N 3.27Å; R113-M117 WeakPolarHBondContact O-CG 3.34Å; R113-M117 PolarHBondContact O-N 2.9Å; R113-E182 IonicContact CZ-OE1 4Å; R113-E182 IonicContact NH2-OE1 3.73Å; R113-E182 PolarHBondContact NH2-OE1 3.1Å
114	T	93.3	Very high	94	Very high	12 Å²	12	58.1 Å²	58.1	7%	0.074	29%	0.288	C	S	.	.	H	α-helix	trans	-60.5	-44.9	176	-64.8	0	0	0	0	111	W96 V110 D111 A116 M117 Y118	W96-T114 HydrophobicContact CH2-CG2 3.94Å; W96-T114 HydrophobicContact CZ2-CG2 4.06Å; W96-T114 HydrophobicContact CZ3-CG2 4.49Å; V110-T114 WeakPolarHBondContact O-CB 3.38Å; V110-T114 PolarHBondContact O-N 2.88Å; V110-T114 PolarHBondContact O-OG1 2.96Å; V110-T114 VanDerWaalsContact O-OG1 3.12Å; D111-T114 PolarHBondContact O-N 3.3Å; T114-A116 VanDerWaalsContact C-N 3.34Å; T114-A116 PolarHBondContact O-N 3.28Å; T114-M117 WeakPolarHBondContact O-CB 3.35Å; T114-M117 PolarHBondContact O-N 3.08Å; T114-M117 VanDerWaalsContact O-N 3.17Å; T114-Y118 HydrophobicContact CG2-CD2 3.88Å; T114-Y118 HydrophobicContact CG2-CE2 3.35Å; T114-Y118 WeakPolarHBondContact O-CD2 3.32Å; T114-Y118 PolarHBondContact O-N 3.47Å
115	Q	95.8	Very high	94	Very high	0 Å²	0	54.4 Å²	54.4	0%	0	26%	0.264	C	S	.	.	H	α-helix	trans	-60.1	-42.2	175.1	172.8	58.8	36.2	0	0	112.1	W96 D111 R113 M117 Y118 Q119 F125 F149 S151	W96-Q115 HydrophobicContact CZ2-CB 4.41Å; D111-Q115 WeakPolarHBondContact O-CB 3.37Å; D111-Q115 PolarHBondContact O-N 3.47Å; R113-Q115 VanDerWaalsContact C-N 3.34Å; R113-Q115 PolarHBondContact O-N 2.64Å; Q115-M117 VanDerWaalsContact C-N 3.33Å; Q115-M117 PolarHBondContact O-N 2.9Å; Q115-Y118 PolarHBondContact O-N 3.02Å; Q115-Q119 PolarHBondContact O-N 3.3Å; Q115-F125 PolarHBondContact NE2-O 3.4Å; Q115-F149 HydrophobicContact CB-CD2 4.44Å; Q115-F149 HydrophobicContact CB-CE2 3.58Å; Q115-F149 HydrophobicContact CB-CZ 4.1Å; Q115-F149 HydrophobicContact CG-CD2 4.09Å; Q115-F149 HydrophobicContact CG-CE2 3.7Å; Q115-F149 HydrophobicContact CG-CZ 4.39Å; Q115-S151 WeakPolarHBondContact CB-OG 3.26Å; Q115-S151 VanDerWaalsContact CG-OG 3.31Å; Q115-S151 WeakPolarHBondContact CG-OG 3.18Å
116	A	93.9	Very high	94	Very high	5 Å²	5	53.6 Å²	53.6	4%	0.041	26%	0.26	C	S	.	.	H	α-helix	trans	-61.4	-41.4	175.2	0	0	0	0	0	112	V112 R113 T114 Y118 Q119 M120 Y185	V112-A116 WeakPolarHBondContact O-CB 3.04Å; V112-A116 PolarHBondContact O-N 2.92Å; R113-A116 WeakPolarHBondContact O-CB 3.25Å; R113-A116 PolarHBondContact O-N 3.27Å; T114-A116 VanDerWaalsContact C-N 3.34Å; T114-A116 PolarHBondContact O-N 3.28Å; A116-Y118 PolarHBondContact O-N 2.86Å; A116-Q119 PolarHBondContact O-N 3.38Å; A116-M120 WeakPolarHBondContact O-CG 3.48Å; A116-M120 PolarHBondContact O-N 3.3Å; A116-M120 VanDerWaalsContact O-N 3.14Å; A116-Y185 HydrophobicContact CB-CD1 3.35Å; A116-Y185 HydrophobicContact CB-CD2 3.77Å; A116-Y185 HydrophobicContact CB-CE1 3.54Å; A116-Y185 HydrophobicContact CB-CE2 3.97Å; A116-Y185 HydrophobicContact CB-CG 3.47Å; A116-Y185 VanDerWaalsContact CB-CG 3.47Å
117	M	92.5	Very high	94.1	Very high	119 Å²	119	47.9 Å²	47.9	59%	0.586	24%	0.238	S	C	*	.	H	α-helix	trans	-61.4	-42.4	175.1	-70.4	-179.1	61.9	0	0	112	R113 T114 Q115 Q119 M120	R113-M117 WeakPolarHBondContact O-CG 3.34Å; R113-M117 PolarHBondContact O-N 2.9Å; T114-M117 WeakPolarHBondContact O-CB 3.35Å; T114-M117 PolarHBondContact O-N 3.08Å; T114-M117 VanDerWaalsContact O-N 3.17Å; Q115-M117 VanDerWaalsContact C-N 3.33Å; Q115-M117 PolarHBondContact O-N 2.9Å; M117-Q119 VanDerWaalsContact C-N 3.33Å; M117-Q119 PolarHBondContact O-N 2.95Å; M117-M120 WeakPolarHBondContact O-CB 3.47Å; M117-M120 PolarHBondContact O-N 3.03Å
118	Y	93.9	Very high	94.2	Very high	17 Å²	17	47.2 Å²	47.2	7%	0.067	23%	0.234	C	C	.	.	H	α-helix	trans	-65.7	-36.2	175.1	-69.1	-51.5	0	0	0	112.5	I68 L73 W96 T114 Q115 A116 M120 M121 D122 F125	I68-Y118 WeakPolarHBondContact CA-OH 3.43Å; I68-Y118 WeakPolarHBondContact CB-OH 3.2Å; I68-Y118 HydrophobicContact CD1-CE1 4.37Å; I68-Y118 HydrophobicContact CD1-CE2 3.99Å; I68-Y118 WeakPolarHBondContact CG1-OH 3.39Å; I68-Y118 PolarHBondContact N-OH 3.11Å; L73-Y118 HydrophobicContact CD1-CE1 4.19Å; W96-Y118 HydrophobicContact CD2-CD2 4.47Å; W96-Y118 HydrophobicContact CD2-CE2 4.26Å; T114-Y118 HydrophobicContact CG2-CD2 3.88Å; T114-Y118 HydrophobicContact CG2-CE2 3.35Å; T114-Y118 WeakPolarHBondContact O-CD2 3.32Å; T114-Y118 PolarHBondContact O-N 3.47Å; Q115-Y118 PolarHBondContact O-N 3.02Å; A116-Y118 PolarHBondContact O-N 2.86Å; Y118-M120 PolarHBondContact O-N 3.21Å; Y118-M121 HydrophobicContact CD1-CE 3.43Å; Y118-M121 VanDerWaalsContact CD1-CE 3.43Å; Y118-M121 HydrophobicContact CE1-CE 4.03Å; Y118-M121 HydrophobicContact CG-CE 4.47Å; Y118-M121 WeakPolarHBondContact O-CB 3.13Å; Y118-M121 PolarHBondContact O-N 2.93Å; Y118-D122 PolarHBondContact O-N 3.25Å; Y118-D122 VanDerWaalsContact O-N 3.1Å; Y118-F125 HydrophobicContact CD1-CE1 4.27Å; Y118-F125 HydrophobicContact CD1-CZ 4.4Å; Y118-F125 HydrophobicContact CD2-CD1 4.34Å; Y118-F125 AromaticContact CD2-CE1 3.61Å; Y118-F125 HydrophobicContact CD2-CE1 3.61Å; Y118-F125 HydrophobicContact CD2-CZ 4.33Å; Y118-F125 HydrophobicContact CE2-CE1 4.49Å; Y118-F125 HydrophobicContact CG-CD1 4.02Å; Y118-F125 AromaticContact CG-CE1 3.51Å; Y118-F125 HydrophobicContact CG-CE1 3.51Å; Y118-F125 HydrophobicContact CG-CZ 4.07Å
119	Q	93.8	Very high	94.4	Very high	8 Å²	8	45.7 Å²	45.7	4%	0.037	22%	0.223	C	C	.	.	H	α-helix	trans	-65.1	-24.9	175.1	-81.3	173.4	-111.4	0	0	113.9	Q115 A116 M117 M121 D122 Q123 S151	Q115-Q119 PolarHBondContact O-N 3.3Å; A116-Q119 PolarHBondContact O-N 3.38Å; M117-Q119 VanDerWaalsContact C-N 3.33Å; M117-Q119 PolarHBondContact O-N 2.95Å; Q119-M121 PolarHBondContact O-N 3.36Å; Q119-D122 WeakPolarHBondContact CA-O 3.44Å; Q119-D122 CarbonylContact O-C 3.55Å; Q119-D122 PolarHBondContact O-N 3.47Å; Q119-Q123 VanDerWaalsContact O-CD 3.23Å; Q119-Q123 PolarHBondContact O-N 2.94Å; Q119-Q123 PolarHBondContact O-NE2 2.92Å; Q119-S151 PolarHBondContact NE2-O 3.42Å; Q119-S151 PolarHBondContact OE1-O 2.89Å
120	M	90.9	Very high	94.7	Very high	144 Å²	144	37.7 Å²	37.7	71%	0.709	19%	0.186	S	C	*	.	H	α-helix	trans	-61.9	-28.3	171.7	-63.3	179.4	71.4	0	0	112.1	A116 M117 Y118	A116-M120 WeakPolarHBondContact O-CG 3.48Å; A116-M120 PolarHBondContact O-N 3.3Å; A116-M120 VanDerWaalsContact O-N 3.14Å; M117-M120 WeakPolarHBondContact O-CB 3.47Å; M117-M120 PolarHBondContact O-N 3.03Å; Y118-M120 PolarHBondContact O-N 3.21Å
121	M	88.9	Confident	94.9	Very high	131 Å²	131	34.9 Å²	34.9	65%	0.645	17%	0.169	S	C	*	.	H	α-helix	trans	-88	-42.8	177	-64.2	-177.4	-75.6	0	0	111.9	L73 Y118 Q119	L73-M121 HydrophobicContact CD1-CE 4.28Å; Y118-M121 HydrophobicContact CD1-CE 3.43Å; Y118-M121 VanDerWaalsContact CD1-CE 3.43Å; Y118-M121 HydrophobicContact CE1-CE 4.03Å; Y118-M121 HydrophobicContact CG-CE 4.47Å; Y118-M121 WeakPolarHBondContact O-CB 3.13Å; Y118-M121 PolarHBondContact O-N 2.93Å; Q119-M121 PolarHBondContact O-N 3.36Å
122	D	91.8	Very high	95.1	Very high	46 Å²	46	34.7 Å²	34.7	25%	0.246	17%	0.168	C	C	.	.			trans	-142.6	115.4	174.7	177.1	14.3	0	0	0	111.2	R92 Y118 Q119 G124 F125	R92-D122 IonicContact CZ-OD2 3.14Å; R92-D122 VanDerWaalsContact CZ-OD2 3.25Å; R92-D122 IonicContact NH1-OD2 3.22Å; R92-D122 PolarHBondContact NH1-OD2 3.05Å; R92-D122 IonicContact NH2-OD1 2.85Å; R92-D122 IonicContact NH2-OD2 2.81Å; R92-D122 PolarHBondContact NH2-OD2 2.98Å; Y118-D122 PolarHBondContact O-N 3.25Å; Y118-D122 VanDerWaalsContact O-N 3.1Å; Q119-D122 WeakPolarHBondContact CA-O 3.44Å; Q119-D122 CarbonylContact O-C 3.55Å; Q119-D122 PolarHBondContact O-N 3.47Å; D122-G124 PolarHBondContact O-N 2.85Å; D122-G124 VanDerWaalsContact O-N 3.15Å; D122-G124 PolarHBondContact OD1-N 2.87Å; D122-F125 HydrophobicContact CB-CB 4.31Å; D122-F125 WeakPolarHBondContact O-CB 3.38Å; D122-F125 PolarHBondContact O-N 2.82Å
123	Q	92.1	Very high	95.2	Very high	78 Å²	78	36.9 Å²	36.9	36%	0.364	18%	0.176	S	C	.	.	T	Hydrogen-bonded Turn	trans	-64.5	-19.8	179.5	-62.1	-62.6	-29	0	0	113.4	Q119 F125 Q150	Q119-Q123 VanDerWaalsContact O-CD 3.23Å; Q119-Q123 PolarHBondContact O-N 2.94Å; Q119-Q123 PolarHBondContact O-NE2 2.92Å; Q123-F125 VanDerWaalsContact C-N 3.29Å; Q123-Q150 PolarHBondContact O-NE2 3.31Å
124	G	94.5	Very high	95.4	Very high	11 Å²	11	32.9 Å²	32.9	11%	0.113	16%	0.164	C	C	.	.	T	Hydrogen-bonded Turn	trans	-82.2	-2.2	173.3	0	0	0	0	0	114.3	D122	D122-G124 PolarHBondContact O-N 2.85Å; D122-G124 VanDerWaalsContact O-N 3.15Å; D122-G124 PolarHBondContact OD1-N 2.87Å
125	F	97.1	Very high	95.5	Very high	12 Å²	12	37.6 Å²	37.6	5%	0.053	19%	0.185	C	C	.	.			trans	-70.9	133.5	-175.9	-160	-96.7	0	0	0	111.7	L37 V93 V94 G95 W96 Q115 Y118 D122 Q123 Q150	L37-F125 HydrophobicContact CD2-CZ 4.28Å; V93-F125 HydrophobicContact CG1-CE2 3.99Å; V94-F125 WeakPolarHBondContact O-CA 3.31Å; G95-F125 VanDerWaalsContact C-CZ 3.49Å; W96-F125 HydrophobicContact CB-CE1 4.09Å; W96-F125 HydrophobicContact CB-CZ 4.03Å; W96-F125 AromaticContact CD1-CD1 3.88Å; W96-F125 AromaticContact CD1-CE1 3.14Å; W96-F125 AromaticContact CD1-CZ 3.96Å; W96-F125 AromaticContact CG-CE1 3.8Å; W96-F125 HydrophobicContact CG-CE1 3.8Å; W96-F125 HydrophobicContact CG-CZ 4.24Å; W96-F125 AromaticContact NE1-CE1 3.86Å; Q115-F125 PolarHBondContact NE2-O 3.4Å; Y118-F125 HydrophobicContact CD1-CE1 4.27Å; Y118-F125 HydrophobicContact CD1-CZ 4.4Å; Y118-F125 HydrophobicContact CD2-CD1 4.34Å; Y118-F125 AromaticContact CD2-CE1 3.61Å; Y118-F125 HydrophobicContact CD2-CE1 3.61Å; Y118-F125 HydrophobicContact CD2-CZ 4.33Å; Y118-F125 HydrophobicContact CE2-CE1 4.49Å; Y118-F125 HydrophobicContact CG-CD1 4.02Å; Y118-F125 AromaticContact CG-CE1 3.51Å; Y118-F125 HydrophobicContact CG-CE1 3.51Å; Y118-F125 HydrophobicContact CG-CZ 4.07Å; D122-F125 HydrophobicContact CB-CB 4.31Å; D122-F125 WeakPolarHBondContact O-CB 3.38Å; D122-F125 PolarHBondContact O-N 2.82Å; Q123-F125 VanDerWaalsContact C-N 3.29Å; F125-Q150 PolarHBondContact O-NE2 3.25Å
126	V	98.4	Very high	95.4	Very high	0 Å²	0	40 Å²	40	0%	0	20%	0.198	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-122.5	146.8	-177.3	-64.9	0	0	0	0	112.4	V9 V12 V48 V94 G95 W96 L128 Q150	V9-V126 HydrophobicContact CB-CG1 4.31Å; V9-V126 HydrophobicContact CG1-CG1 4.31Å; V9-V126 HydrophobicContact CG2-CG1 4.09Å; V12-V126 HydrophobicContact CG2-CB 4.36Å; V12-V126 HydrophobicContact CG2-CG1 4.02Å; V12-V126 HydrophobicContact CG2-CG2 4.16Å; V48-V126 HydrophobicContact CG1-CG2 4.25Å; V48-V126 HydrophobicContact CG2-CG1 4.06Å; V94-V126 PolarHBondContact O-N 3.38Å; V94-V126 VanDerWaalsContact O-N 3.16Å; G95-V126 CarbonylContact C-O 3.57Å; G95-V126 WeakPolarHBondContact CA-O 3.33Å; W96-V126 VanDerWaalsContact CD1-O 3.29Å; W96-V126 PolarHBondContact N-O 3.13Å; V126-L128 HydrophobicContact CG2-CD1 4.13Å; V126-Q150 HydrophobicContact CG1-CG 4.04Å
127	G	98.3	Very high	95.3	Very high	0 Å²	0	47.6 Å²	47.6	0%	0	23%	0.23	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-102.9	139.5	172.7	0	0	0	0	0	111.5	C148 F149	G127-C148 CarbonylContact O-C 3.5Å; G127-C148 VanDerWaalsContact O-CA 3.28Å; G127-C148 WeakPolarHBondContact O-CA 3.38Å; G127-C148 PolarHBondContact O-SG 3.5Å; G127-C148 VanDerWaalsContact O-SG 3.4Å; G127-F149 PolarHBondContact N-O 3.14Å; G127-F149 WeakPolarHBondContact O-CD1 3.25Å; G127-F149 PolarHBondContact O-N 3.01Å
128	L	98.8	Very high	95.5	Very high	2 Å²	2	49.2 Å²	49.2	1%	0.01	24%	0.241	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-121.3	140.5	173.1	-66	85.5	0	0	0	110	L14 I50 W96 Y97 H98 V126 F130 T147 I192	L14-L128 HydrophobicContact CD2-CD2 4.07Å; I50-L128 HydrophobicContact CD1-CD1 3.96Å; I50-L128 HydrophobicContact CD1-CD2 4.29Å; W96-L128 WeakPolarHBondContact O-CD1 3.39Å; W96-L128 PolarHBondContact O-N 2.94Å; Y97-L128 WeakPolarHBondContact CA-O 3.33Å; H98-L128 PolarHBondContact N-O 3.27Å; H98-L128 VanDerWaalsContact N-O 3.11Å; V126-L128 HydrophobicContact CG2-CD1 4.13Å; L128-F130 HydrophobicContact CB-CE2 4.27Å; L128-T147 WeakPolarHBondContact CA-O 3.34Å; L128-I192 HydrophobicContact CD2-CD1 3.73Å
129	I	98.8	Very high	95.6	Very high	0 Å²	0	52 Å²	52	0%	0	26%	0.26	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-126.1	133.1	176.3	-54.5	-174.4	0	0	0	109.2	H98 H100 V105 P107 Y146 T147 F149	H98-I129 VanDerWaalsContact CE1-CG1 3.49Å; H98-I129 WeakPolarHBondContact CE1-CG1 3.43Å; H98-I129 WeakPolarHBondContact O-CA 3.43Å; H100-I129 HydrophobicContact CB-CG2 3.93Å; V105-I129 HydrophobicContact CG2-CB 4.47Å; V105-I129 HydrophobicContact CG2-CG2 4.42Å; P107-I129 HydrophobicContact CB-CD1 3.68Å; I129-Y146 CarbonylContact O-C 3.52Å; I129-Y146 WeakPolarHBondContact O-CA 3.42Å; I129-T147 HydrophobicContact CB-CG2 4.08Å; I129-T147 HydrophobicContact CG1-CG2 4.47Å; I129-T147 PolarHBondContact N-O 2.95Å; I129-T147 PolarHBondContact O-N 3.26Å; I129-F149 HydrophobicContact CD1-CD1 4.39Å; I129-F149 HydrophobicContact CD1-CE1 3.78Å; I129-F149 HydrophobicContact CD1-CZ 4.39Å; I129-F149 HydrophobicContact CG1-CD1 4.35Å; I129-F149 HydrophobicContact CG1-CE1 3.78Å
130	F	98.8	Very high	95.7	Very high	1 Å²	1	58.6 Å²	58.6	0%	0.004	29%	0.289	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-111	107.7	173.2	-68.5	-97.5	0	0	0	110	F19 C22 A26 Y97 H98 S99 H100 L128 L145	F19-F130 AromaticContact CD2-CE1 3.91Å; F19-F130 HydrophobicContact CD2-CE1 3.91Å; F19-F130 HydrophobicContact CD2-CZ 4.25Å; F19-F130 AromaticContact CE2-CE1 3.65Å; F19-F130 HydrophobicContact CE2-CE1 3.65Å; F19-F130 HydrophobicContact CE2-CZ 4.39Å; F19-F130 HydrophobicContact CZ-CE1 4.44Å; C22-F130 HydrophobicContact CB-CD2 4.49Å; C22-F130 HydrophobicContact CB-CE1 4.13Å; C22-F130 HydrophobicContact CB-CE2 3.71Å; C22-F130 HydrophobicContact CB-CZ 3.5Å; A26-F130 HydrophobicContact CB-CB 3.88Å; A26-F130 HydrophobicContact CB-CG 4.42Å; Y97-F130 HydrophobicContact CD2-CD2 4.25Å; Y97-F130 HydrophobicContact CD2-CE2 4.29Å; Y97-F130 HydrophobicContact CG-CE2 4.42Å; H98-F130 PolarHBondContact O-N 3.35Å; S99-F130 CarbonylContact C-O 3.52Å; S99-F130 VanDerWaalsContact CA-O 3.24Å; S99-F130 WeakPolarHBondContact CA-O 3.41Å; H100-F130 PolarHBondContact N-O 3.45Å; L128-F130 HydrophobicContact CB-CE2 4.27Å; F130-L145 CarbonylContact C-O 3.47Å
131	S	98.4	Very high	96	Very high	1 Å²	1	54.9 Å²	54.9	1%	0.007	27%	0.274	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-86.5	118.9	172.4	173	0	0	0	0	109.8	H100 I103 I134 V144 L145	H100-S131 WeakPolarHBondContact O-CA 3.34Å; I103-S131 PolarHBondContact O-OG 3.19Å; S131-I134 WeakPolarHBondContact OG-CG1 3.38Å; S131-V144 WeakPolarHBondContact O-CA 3.2Å; S131-L145 PolarHBondContact N-O 3.23Å; S131-L145 PolarHBondContact O-N 3.43Å
132	C	98.3	Very high	96.4	Very high	0 Å²	0	51.5 Å²	51.5	0%	0	27%	0.273	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-124.9	164	-171.6	-65	0	0	0	0	111.1	L27 H100 H102 I134	L27-C132 HydrophobicContact CD2-CB 4.02Å; H100-C132 PolarHBondContact O-N 2.82Å; H102-C132 PolarHBondContact N-O 2.66Å; C132-I134 PolarHBondContact O-N 3.48Å
133	F	97.5	Very high	96.6	Very high	59 Å²	59	56 Å²	56	26%	0.259	29%	0.286	S	S	.	.	E	Extended strand (participates in β ladder)	trans	57.9	34	177.3	-46	-80.8	0	0	0	113.5	L27 T29 E30 P101 H102	L27-F133 HydrophobicContact CB-CZ 4.42Å; L27-F133 HydrophobicContact CD2-CE1 4.14Å; L27-F133 HydrophobicContact CD2-CE2 4.35Å; L27-F133 HydrophobicContact CD2-CZ 3.97Å; T29-F133 VanDerWaalsContact O-CE2 3.25Å; T29-F133 WeakPolarHBondContact O-CE2 3.49Å; E30-F133 HydrophobicContact CB-CD1 4.19Å; E30-F133 HydrophobicContact CB-CD2 3.82Å; E30-F133 HydrophobicContact CB-CE1 4.25Å; E30-F133 HydrophobicContact CB-CE2 3.91Å; E30-F133 HydrophobicContact CB-CG 3.96Å; E30-F133 HydrophobicContact CB-CZ 4.1Å; P101-F133 HydrophobicContact CB-CD2 4.04Å; H102-F133 WeakPolarHBondContact CE1-CB 3.34Å; H102-F133 PolarHBondContact CE1-O 2.83Å; H102-F133 PolarHBondContact ND1-O 3.25Å
134	I	97.1	Very high	96.9	Very high	44 Å²	44	55.5 Å²	55.5	23%	0.226	29%	0.288	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-86.2	113.1	174.2	-53	-55.5	0	0	0	108.2	S131 C132 G142 R143 L145	S131-I134 WeakPolarHBondContact OG-CG1 3.38Å; C132-I134 PolarHBondContact O-N 3.48Å; I134-G142 CarbonylContact O-C 3.58Å; I134-G142 WeakPolarHBondContact O-CA 3.49Å; I134-R143 HydrophobicContact CB-CB 4.16Å; I134-R143 HydrophobicContact CG2-CB 4.34Å; I134-R143 PolarHBondContact N-O 3.01Å; I134-R143 PolarHBondContact O-N 3.17Å; I134-L145 HydrophobicContact CG1-CD1 4.11Å
135	E	95.8	Very high	97.1	Very high	111 Å²	111	58.3 Å²	58.3	52%	0.519	30%	0.3	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-119.7	126.4	175.5	-171	-169.2	155.7	0	0	110.1	K137 K140	E135-K137 PolarHBondContact O-N 2.67Å; E135-K140 IonicContact OE1-NZ 2.67Å
136	D	93.6	Very high	97.2	Very high	50 Å²	50	62.2 Å²	62.2	27%	0.267	32%	0.316	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-80.2	107.3	163.9	175.9	-5.9	0	0	0	109.2	N138 T139 K140 T141	D136-N138 PolarHBondContact O-N 3.46Å; D136-N138 VanDerWaalsContact O-N 3.13Å; D136-N138 WeakPolarHBondContact OD1-CB 3.41Å; D136-N138 PolarHBondContact OD1-N 2.98Å; D136-T139 VanDerWaalsContact CB-OG1 3.23Å; D136-T139 WeakPolarHBondContact CB-OG1 3.49Å; D136-T139 PolarHBondContact O-N 3.42Å; D136-T139 PolarHBondContact OD1-N 3.21Å; D136-T139 VanDerWaalsContact OD2-CG2 3.28Å; D136-T139 WeakPolarHBondContact OD2-CG2 3.42Å; D136-T139 PolarHBondContact OD2-OG1 2.94Å; D136-K140 WeakPolarHBondContact O-CA 3.38Å; D136-K140 PolarHBondContact O-N 3.46Å; D136-T141 PolarHBondContact N-O 2.83Å; D136-T141 VanDerWaalsContact N-O 3.09Å
137	K	93	Very high	97.2	Very high	166 Å²	166	62.7 Å²	62.7	72%	0.722	32%	0.319	S	S	*	.	T	Hydrogen-bonded Turn	trans	-59.2	-26.5	-176.3	-67.7	-176.2	178.3	179.7	0	113.6	E135 K140	E135-K137 PolarHBondContact O-N 2.67Å; K137-K140 WeakPolarHBondContact O-CE 3.31Å; K137-K140 PolarHBondContact O-NZ 2.97Å
138	N	96.3	Very high	97.2	Very high	152 Å²	152	62.7 Å²	62.7	81%	0.813	32%	0.319	S	S	*	.	T	Hydrogen-bonded Turn	trans	-82.1	-41.2	-178.6	-61.6	-37.9	0	0	0	111.4	D136	D136-N138 PolarHBondContact O-N 3.46Å; D136-N138 VanDerWaalsContact O-N 3.13Å; D136-N138 WeakPolarHBondContact OD1-CB 3.41Å; D136-N138 PolarHBondContact OD1-N 2.98Å
139	T	96.4	Very high	97.2	Very high	76 Å²	76	62.7 Å²	62.7	47%	0.466	32%	0.319	S	S	.	.	T	Hydrogen-bonded Turn	trans	-96.5	-8.4	-176.4	61.5	0	0	0	0	113.9	D136 T141	D136-T139 VanDerWaalsContact CB-OG1 3.23Å; D136-T139 WeakPolarHBondContact CB-OG1 3.49Å; D136-T139 PolarHBondContact O-N 3.42Å; D136-T139 PolarHBondContact OD1-N 3.21Å; D136-T139 VanDerWaalsContact OD2-CG2 3.28Å; D136-T139 WeakPolarHBondContact OD2-CG2 3.42Å; D136-T139 PolarHBondContact OD2-OG1 2.94Å; T139-T141 PolarHBondContact O-N 3.39Å; T139-T141 PolarHBondContact O-OG1 3.32Å; T139-T141 PolarHBondContact OG1-OG1 3.46Å
140	K	95.8	Very high	97.1	Very high	147 Å²	147	62.8 Å²	62.8	64%	0.639	32%	0.319	S	S	*	.	T	Hydrogen-bonded Turn	trans	55.2	28.5	-174.2	-57.4	-54	-170.8	-170.2	0	113.4	E135 D136 K137	E135-K140 IonicContact OE1-NZ 2.67Å; D136-K140 WeakPolarHBondContact O-CA 3.38Å; D136-K140 PolarHBondContact O-N 3.46Å; K137-K140 WeakPolarHBondContact O-CE 3.31Å; K137-K140 PolarHBondContact O-NZ 2.97Å
141	T	96.8	Very high	97	Very high	65 Å²	65	63 Å²	63	40%	0.399	32%	0.32	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-97.1	119.3	179.8	-59.3	0	0	0	0	109.7	D136 T139 R143	D136-T141 PolarHBondContact N-O 2.83Å; D136-T141 VanDerWaalsContact N-O 3.09Å; T139-T141 PolarHBondContact O-N 3.39Å; T139-T141 PolarHBondContact O-OG1 3.32Å; T139-T141 PolarHBondContact OG1-OG1 3.46Å; T141-R143 HydrophobicContact CG2-CG 4.48Å
142	G	96	Very high	96.8	Very high	60 Å²	60	65.9 Å²	65.9	62%	0.619	34%	0.335	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-81.3	143.9	169.8	0	0	0	0	0	111.6	I134	I134-G142 CarbonylContact O-C 3.58Å; I134-G142 WeakPolarHBondContact O-CA 3.49Å
143	R	97.3	Very high	96.2	Very high	140 Å²	140	71.4 Å²	71.4	53%	0.528	36%	0.361	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-133.6	141.4	177.6	-58.8	-178	-172.9	175.4	4.2	110.4	I134 T141 L145	I134-R143 HydrophobicContact CB-CB 4.16Å; I134-R143 HydrophobicContact CG2-CB 4.34Å; I134-R143 PolarHBondContact N-O 3.01Å; I134-R143 PolarHBondContact O-N 3.17Å; T141-R143 HydrophobicContact CG2-CG 4.48Å; R143-L145 HydrophobicContact CB-CD1 4.21Å
144	V	98.2	Very high	95.3	Very high	68 Å²	68	69.6 Å²	69.6	41%	0.412	36%	0.357	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-120.3	130.3	163.5	177.4	0	0	0	0	106.2	L23 S131	L23-V144 HydrophobicContact CD1-CG1 3.74Å; S131-V144 WeakPolarHBondContact O-CA 3.2Å
145	L	98.6	Very high	93.7	Very high	70 Å²	70	76.4 Å²	76.4	37%	0.366	39%	0.388	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-123.2	151	177.2	-52.8	102.5	0	0	0	109.1	V105 F130 S131 I134 R143	V105-L145 HydrophobicContact CB-CB 4Å; V105-L145 HydrophobicContact CG1-CB 4.3Å; V105-L145 HydrophobicContact CG2-CB 4.11Å; F130-L145 CarbonylContact C-O 3.47Å; S131-L145 PolarHBondContact N-O 3.23Å; S131-L145 PolarHBondContact O-N 3.43Å; I134-L145 HydrophobicContact CG1-CD1 4.11Å; R143-L145 HydrophobicContact CB-CD1 4.21Å
146	Y	98.7	Very high	91.8	Very high	95 Å²	95	79.1 Å²	79.1	37%	0.373	40%	0.398	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-138.5	152	172.8	57.9	-87.8	0	0	0	110.4	F19 I129 I192 I194	F19-Y146 AromaticContact CE2-CD1 3.82Å; F19-Y146 HydrophobicContact CE2-CD1 3.82Å; F19-Y146 AromaticContact CE2-CE1 3.95Å; F19-Y146 HydrophobicContact CE2-CE1 3.95Å; F19-Y146 HydrophobicContact CE2-CG 4.14Å; F19-Y146 HydrophobicContact CZ-CD1 4.15Å; F19-Y146 HydrophobicContact CZ-CE1 4.12Å; I129-Y146 CarbonylContact O-C 3.52Å; I129-Y146 WeakPolarHBondContact O-CA 3.42Å; Y146-I192 HydrophobicContact CD2-CG2 4.18Å; Y146-I192 HydrophobicContact CE2-CG2 4.01Å; Y146-I194 HydrophobicContact CE1-CD1 4.41Å; Y146-I194 HydrophobicContact CE2-CD1 4.38Å
147	T	98.6	Very high	89.4	Confident	10 Å²	10	81.9 Å²	81.9	6%	0.061	42%	0.421	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-143	163.5	175.5	-164.4	0	0	0	0	110.6	V105 L128 I129	V105-T147 HydrophobicContact CG2-CG2 3.86Å; V105-T147 VanDerWaalsContact O-CG2 3.3Å; V105-T147 WeakPolarHBondContact O-CG2 3.48Å; L128-T147 WeakPolarHBondContact CA-O 3.34Å; I129-T147 HydrophobicContact CB-CG2 4.08Å; I129-T147 HydrophobicContact CG1-CG2 4.47Å; I129-T147 PolarHBondContact N-O 2.95Å; I129-T147 PolarHBondContact O-N 3.26Å
148	C	98.7	Very high	87	Confident	0 Å²	0	79.3 Å²	79.3	0%	0	42%	0.424	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-129.8	139.8	172.5	-174.3	0	0	0	0	109.9	V12 G127 I190 I192	V12-C148 VanDerWaalsContact CG2-SG 3.5Å; G127-C148 CarbonylContact O-C 3.5Å; G127-C148 VanDerWaalsContact O-CA 3.28Å; G127-C148 WeakPolarHBondContact O-CA 3.38Å; G127-C148 PolarHBondContact O-SG 3.5Å; G127-C148 VanDerWaalsContact O-SG 3.4Å; C148-I190 HydrophobicContact CB-CB 4.49Å; C148-I190 PolarHBondContact O-N 2.95Å; C148-I192 HydrophobicContact CB-CB 3.98Å; C148-I192 HydrophobicContact CB-CD1 4.25Å; C148-I192 HydrophobicContact CB-CG2 4.3Å
149	F	98.4	Very high	84.4	Confident	2 Å²	2	80.2 Å²	80.2	1%	0.009	42%	0.424	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-147.7	159	-175.6	73.9	-75	0	0	0	113	W96 P107 D111 Q115 G127 I129 I188	W96-F149 HydrophobicContact CZ2-CZ 4.24Å; P107-F149 HydrophobicContact CB-CD1 4.43Å; P107-F149 HydrophobicContact CB-CD2 4.21Å; P107-F149 HydrophobicContact CB-CE1 4.17Å; P107-F149 HydrophobicContact CB-CE2 3.92Å; P107-F149 HydrophobicContact CB-CG 4.46Å; P107-F149 HydrophobicContact CB-CZ 3.91Å; P107-F149 HydrophobicContact CG-CD1 4.45Å; P107-F149 HydrophobicContact CG-CD2 4.1Å; P107-F149 HydrophobicContact CG-CE2 4.31Å; P107-F149 HydrophobicContact CG-CG 4.17Å; D111-F149 HydrophobicContact CB-CZ 4.14Å; Q115-F149 HydrophobicContact CB-CD2 4.44Å; Q115-F149 HydrophobicContact CB-CE2 3.58Å; Q115-F149 HydrophobicContact CB-CZ 4.1Å; Q115-F149 HydrophobicContact CG-CD2 4.09Å; Q115-F149 HydrophobicContact CG-CE2 3.7Å; Q115-F149 HydrophobicContact CG-CZ 4.39Å; G127-F149 PolarHBondContact N-O 3.14Å; G127-F149 WeakPolarHBondContact O-CD1 3.25Å; G127-F149 PolarHBondContact O-N 3.01Å; I129-F149 HydrophobicContact CD1-CD1 4.39Å; I129-F149 HydrophobicContact CD1-CE1 3.78Å; I129-F149 HydrophobicContact CD1-CZ 4.39Å; I129-F149 HydrophobicContact CG1-CD1 4.35Å; I129-F149 HydrophobicContact CG1-CE1 3.78Å; F149-I188 CarbonylContact C-O 3.57Å; F149-I188 WeakPolarHBondContact CA-O 3.09Å; F149-I188 WeakPolarHBondContact CB-O 3.37Å
150	Q	97.8	Very high	81.5	Confident	1 Å²	1	81.7 Å²	81.7	1%	0.005	44%	0.437	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-123.7	173.7	160.4	-73.3	-168.3	-52.1	0	0	109.2	Q123 F125 V126 I188 I190	Q123-Q150 PolarHBondContact O-NE2 3.31Å; F125-Q150 PolarHBondContact O-NE2 3.25Å; V126-Q150 HydrophobicContact CG1-CG 4.04Å; Q150-I188 HydrophobicContact CB-CG2 3.75Å; Q150-I188 PolarHBondContact N-O 3Å; Q150-I188 WeakPolarHBondContact O-CG2 3.34Å; Q150-I188 PolarHBondContact O-N 3.36Å; Q150-I190 HydrophobicContact CB-CD1 4.28Å; Q150-I190 HydrophobicContact CB-CG1 4.31Å; Q150-I190 HydrophobicContact CG-CD1 4.2Å; Q150-I190 HydrophobicContact CG-CG1 3.97Å
151	S	95.8	Very high	79	Confident	5 Å²	5	82.3 Å²	82.3	4%	0.035	45%	0.447	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-112.4	138.8	174.4	-63.2	0	0	0	0	110.4	V112 Q115 Q119 E186	V112-S151 WeakPolarHBondContact CG1-OG 3.47Å; V112-S151 WeakPolarHBondContact O-CB 3.34Å; V112-S151 PolarHBondContact O-OG 3.22Å; Q115-S151 WeakPolarHBondContact CB-OG 3.26Å; Q115-S151 VanDerWaalsContact CG-OG 3.31Å; Q115-S151 WeakPolarHBondContact CG-OG 3.18Å; Q119-S151 PolarHBondContact NE2-O 3.42Å; Q119-S151 PolarHBondContact OE1-O 2.89Å; S151-E186 CarbonylContact C-O 3.47Å; S151-E186 WeakPolarHBondContact CA-O 3.48Å
152	I	93.4	Very high	76.3	Confident	63 Å²	63	88.4 Å²	88.4	32%	0.323	47%	0.47	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-123.8	150.7	174.2	57.8	170.4	0	0	0	109.8	A154 Y185 E186 I188	I152-A154 PolarHBondContact O-N 3.49Å; I152-Y185 CarbonylContact O-C 3.56Å; I152-Y185 WeakPolarHBondContact O-CA 3.21Å; I152-E186 HydrophobicContact CG1-CB 4.27Å; I152-E186 PolarHBondContact N-O 3.21Å; I152-E186 PolarHBondContact O-N 3.49Å; I152-I188 HydrophobicContact CG2-CB 4.42Å; I152-I188 HydrophobicContact CG2-CG2 3.89Å
153	Q	86.7	Confident	73.4	Confident	115 Å²	115	88.7 Å²	88.7	54%	0.537	47%	0.473	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-70.2	125.5	174.6	-165.9	170.5	30.3	0	0	109.1	Q155 E183	Q153-Q155 PolarHBondContact O-N 3Å; Q153-E183 PolarHBondContact NE2-OE1 3.01Å; Q153-E183 VanDerWaalsContact NE2-OE1 3.14Å
154	A	77.7	Confident	70.7	Confident	22 Å²	22	88.4 Å²	88.4	18%	0.182	49%	0.489	C	S	.	.	P	Polyproline II helix	trans	-60.3	132.8	176.5	0	0	0	0	0	109.7	I152 K156 R184 E186	I152-A154 PolarHBondContact O-N 3.49Å; A154-K156 PolarHBondContact O-N 2.87Å; A154-R184 WeakPolarHBondContact CA-O 3.08Å; A154-R184 HydrophobicContact CB-CB 4.13Å; A154-R184 WeakPolarHBondContact CB-O 3.38Å; A154-R184 PolarHBondContact N-O 2.92Å; A154-E186 HydrophobicContact CB-CG 3.96Å; A154-E186 WeakPolarHBondContact CB-OE1 3.45Å
155	Q	64.3	Low	68.1	Low	187 Å²	187	96.4 Å²	96.4	87%	0.874	51%	0.512	S	S	*	.	P	Polyproline II helix	trans	-69	127.7	170.7	-66.5	-161.6	-57.6	0	0	108.6	Q153 S157	Q153-Q155 PolarHBondContact O-N 3Å; Q155-S157 PolarHBondContact O-N 3.16Å
156	K	56.5	Low	65	Low	168 Å²	168	100.5 Å²	100.5	73%	0.73	53%	0.534	S	S	*	.			trans	-58.1	114.4	165.2	-77.7	-177.5	179.6	175.3	0	106.9	A154 S158 E181	A154-K156 PolarHBondContact O-N 2.87Å; K156-S158 PolarHBondContact O-N 3.25Å; K156-E181 IonicContact NZ-OE1 3.55Å; K156-E181 PolarHBondContact NZ-OE1 3.02Å
157	S	43.1	Very low	61.7	Low	107 Å²	107	104.1 Å²	104.1	75%	0.748	55%	0.552	S	S	*	*			trans	-56	110.1	166.6	53.4	0	0	0	0	106.9	Q155 E159	Q155-S157 PolarHBondContact O-N 3.16Å; S157-E159 VanDerWaalsContact C-N 3.29Å; S157-E159 PolarHBondContact O-N 2.96Å
158	S	42.6	Very low	58.4	Low	113 Å²	113	114.2 Å²	114.2	79%	0.79	59%	0.589	S	S	*	*			trans	-64.2	97.7	168.1	54.9	0	0	0	0	106.6	K156 S160	K156-S158 PolarHBondContact O-N 3.25Å; S158-S160 PolarHBondContact O-N 3.42Å
159	E	42	Very low	55.2	Low	171 Å²	171	118.7 Å²	118.7	80%	0.799	62%	0.621	S	S	*	*			trans	-53.7	116.8	163.5	-84.3	-177.8	154.9	0	0	107.1	S157 L161	S157-E159 VanDerWaalsContact C-N 3.29Å; S157-E159 PolarHBondContact O-N 2.96Å; E159-L161 PolarHBondContact O-N 2.99Å
160	S	35.4	Very low	52.1	Low	107 Å²	107	124 Å²	124	75%	0.748	66%	0.658	S	S	*	*			trans	-60.3	104.5	172.5	48	0	0	0	0	108.7	S158 H162	S158-S160 PolarHBondContact O-N 3.42Å; S160-H162 PolarHBondContact O-N 3.05Å
161	L	41.8	Very low	48.9	Very low	160 Å²	160	129.7 Å²	129.7	84%	0.838	70%	0.698	S	S	*	*			trans	-64	81.1	167	-106.5	90.1	0	0	0	109.8	E159	E159-L161 PolarHBondContact O-N 2.99Å
162	H	40.9	Very low	46.2	Very low	193 Å²	193	138.3 Å²	138.3	89%	0.894	74%	0.738	S	S	*	*			trans	-149.1	80	161	-76.8	95.7	0	0	0	110.1	S160	S160-H162 PolarHBondContact O-N 3.05Å
163	G	34	Very low	43.3	Very low	65 Å²	65	144.5 Å²	144.5	67%	0.67	77%	0.765	S	S	*	*			trans	-130	141.1	162.2	0	0	0	0	0	109.2	R165	G163-R165 PolarHBondContact O-N 3.21Å
164	P	40.8	Very low	40.7	Very low	135 Å²	135	146 Å²	146	88%	0.877	78%	0.775	S	S	*	*			trans	-66.2	136.1	-168.9	-12.9	27.3	0	0	0	111.2	D166	P164-D166 PolarHBondContact O-N 3.25Å
165	R	43.9	Very low	38.7	Very low	235 Å²	235	149.9 Å²	149.9	89%	0.887	80%	0.801	S	S	*	*			trans	-58.4	125.9	164.3	-70.8	178.3	175.8	-154.6	-2.7	107.7	G163	G163-R165 PolarHBondContact O-N 3.21Å
166	D	33.2	Very low	37.3	Very low	156 Å²	156	148.9 Å²	148.9	83%	0.834	80%	0.8	S	S	*	*			trans	-173.6	123.2	135.6	-82	-26	0	0	0	111.9	P164	P164-D166 PolarHBondContact O-N 3.25Å
167	F	30.2	Very low	36.5	Very low	171 Å²	171	150.5 Å²	150.5	75%	0.75	81%	0.81	S	S	*	*			trans	70.9	103.1	136.8	-149.2	-102	0	0	0	121.4
168	W	30.2	Very low	36	Very low	222 Å²	222	148.1 Å²	148.1	84%	0.841	80%	0.802	S	S	*	*				-178.5	132.7	92	-142	-11	0	0	0	113.8
169	S	29.5	Very low	35.7	Very low	95 Å²	95	151.9 Å²	151.9	66%	0.664	81%	0.807	S	S	*	*			trans	48.9	114.7	145.7	-156.7	0	0	0	0	124.1
170	S	33.6	Very low	35.6	Very low	112 Å²	112	152.6 Å²	152.6	78%	0.783	81%	0.808	S	S	*	*			trans	8.2	115.7	136.9	-58.3	0	0	0	0	119.8
171	S	31.5	Very low	35.8	Very low	122 Å²	122	155 Å²	155	85%	0.853	81%	0.807	S	S	*	*			trans	-152.5	126.6	131.2	-80.9	0	0	0	0	109.7	H173	S171-H173 PolarHBondContact O-N 3.39Å
172	Q	39	Very low	36.1	Very low	186 Å²	186	153.3 Å²	153.3	87%	0.869	80%	0.795	S	S	*	*			trans	-60.7	126.7	171.5	-82.2	166.3	-26.6	0	0	109.7
173	H	31.3	Very low	36.9	Very low	192 Å²	192	149.1 Å²	149.1	89%	0.889	78%	0.776	S	S	*	*			trans	-134.5	120.8	150.2	-116.2	-90.9	0	0	0	109.2	S171	S171-H173 PolarHBondContact O-N 3.39Å
174	I	33	Very low	39.1	Very low	146 Å²	146	155 Å²	155	75%	0.749	78%	0.778	S	S	*	*			trans	-75.7	131.2	-178.4	-77.7	163.4	0	0	0	109.6
175	S	34.7	Very low	41.3	Very low	105 Å²	105	151.9 Å²	151.9	73%	0.734	75%	0.749	S	S	*	*			trans	36.4	116.2	151.9	-47.3	0	0	0	0	120.8
176	I	35.3	Very low	43.7	Very low	166 Å²	166	145.6 Å²	145.6	85%	0.851	73%	0.73	S	S	*	*			trans	-137.4	88.7	132.1	-55.3	-178.3	0	0	0	107.8
177	E	41.1	Very low	46.6	Very low	202 Å²	202	143 Å²	143	94%	0.944	71%	0.709	S	S	*	*			trans	-78.2	115.9	152.3	-83.7	-179.4	153.6	0	0	106.8
178	G	32.4	Very low	49.7	Very low	57 Å²	57	137.7 Å²	137.7	59%	0.588	69%	0.687	S	S	*	*			trans	170.8	77.3	-178.1	0	0	0	0	0	114.1
179	Q	36.3	Very low	52.9	Low	191 Å²	191	132.3 Å²	132.3	89%	0.893	67%	0.671	S	S	*	*			trans	54.6	102.5	146.7	-62.1	-178.3	-33.9	0	0	119.4
180	K	38.5	Very low	56.2	Low	187 Å²	187	128 Å²	128	81%	0.813	64%	0.641	S	S	*	*				-170.9	85.5	111.5	-105.2	178.8	178.4	-179.1	0	108.7	E182	K180-E182 PolarHBondContact O-N 3.18Å
181	E	41.5	Very low	59.3	Low	156 Å²	156	126 Å²	126	73%	0.729	63%	0.625	S	S	*	*			trans	-65.5	87.5	153.1	-110.7	176.5	156.9	0	0	106	K156 E183	K156-E181 IonicContact NZ-OE1 3.55Å; K156-E181 PolarHBondContact NZ-OE1 3.02Å; E181-E183 PolarHBondContact O-N 3.48Å
182	E	47.9	Very low	62.5	Low	125 Å²	125	121.8 Å²	121.8	58%	0.584	59%	0.593	S	S	*	*			trans	-65	97.4	160.9	-79.4	-167.3	137.4	0	0	106	R113 K180 R184	R113-E182 IonicContact CZ-OE1 4Å; R113-E182 IonicContact NH2-OE1 3.73Å; R113-E182 PolarHBondContact NH2-OE1 3.1Å; K180-E182 PolarHBondContact O-N 3.18Å; E182-R184 VanDerWaalsContact C-N 3.3Å; E182-R184 PolarHBondContact O-N 3.32Å
183	E	56.7	Low	65.3	Low	106 Å²	106	117.7 Å²	117.7	50%	0.495	57%	0.573	S	S	.	*			trans	-52.1	102.9	161.7	-69.8	-174.6	151.7	0	0	107.1	Q153 E181 Y185	Q153-E183 PolarHBondContact NE2-OE1 3.01Å; Q153-E183 VanDerWaalsContact NE2-OE1 3.14Å; E181-E183 PolarHBondContact O-N 3.48Å; E183-Y185 HydrophobicContact CB-CE2 3.93Å; E183-Y185 VanDerWaalsContact O-CD2 3.28Å; E183-Y185 WeakPolarHBondContact O-CD2 3.48Å; E183-Y185 PolarHBondContact O-N 3.44Å; E183-Y185 PolarHBondContact OE2-OH 3.34Å
184	R	79.8	Confident	68.5	Low	189 Å²	189	111.5 Å²	111.5	71%	0.713	55%	0.546	S	S	*	.			trans	-78.1	106.9	-176.1	-154.7	177.5	-138.8	-168.1	3.4	106.2	A154 E182	A154-R184 WeakPolarHBondContact CA-O 3.08Å; A154-R184 HydrophobicContact CB-CB 4.13Å; A154-R184 WeakPolarHBondContact CB-O 3.38Å; A154-R184 PolarHBondContact N-O 2.92Å; E182-R184 VanDerWaalsContact C-N 3.3Å; E182-R184 PolarHBondContact O-N 3.32Å
185	Y	88.7	Confident	71.6	Confident	68 Å²	68	107.2 Å²	107.2	27%	0.267	53%	0.526	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-83	140.3	172.8	-68.5	-84.9	0	0	0	109.4	V112 A116 I152 E183	V112-Y185 WeakPolarHBondContact CG1-O 3.18Å; A116-Y185 HydrophobicContact CB-CD1 3.35Å; A116-Y185 HydrophobicContact CB-CD2 3.77Å; A116-Y185 HydrophobicContact CB-CE1 3.54Å; A116-Y185 HydrophobicContact CB-CE2 3.97Å; A116-Y185 HydrophobicContact CB-CG 3.47Å; A116-Y185 VanDerWaalsContact CB-CG 3.47Å; I152-Y185 CarbonylContact O-C 3.56Å; I152-Y185 WeakPolarHBondContact O-CA 3.21Å; E183-Y185 HydrophobicContact CB-CE2 3.93Å; E183-Y185 VanDerWaalsContact O-CD2 3.28Å; E183-Y185 WeakPolarHBondContact O-CD2 3.48Å; E183-Y185 PolarHBondContact O-N 3.44Å; E183-Y185 PolarHBondContact OE2-OH 3.34Å
186	E	93.1	Very high	74.6	Confident	103 Å²	103	107.6 Å²	107.6	48%	0.481	53%	0.527	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-115.1	148.4	175.1	-75.1	176.4	-170.1	0	0	110.1	S151 I152 A154	S151-E186 CarbonylContact C-O 3.47Å; S151-E186 WeakPolarHBondContact CA-O 3.48Å; I152-E186 HydrophobicContact CG1-CB 4.27Å; I152-E186 PolarHBondContact N-O 3.21Å; I152-E186 PolarHBondContact O-N 3.49Å; A154-E186 HydrophobicContact CB-CG 3.96Å; A154-E186 WeakPolarHBondContact CB-OE1 3.45Å
187	R	94.1	Very high	77.5	Confident	103 Å²	103	103.4 Å²	103.4	39%	0.389	50%	0.503	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-74.2	141	174.6	72.8	179.2	-174.6	89.2	-4.5	110.4	W106 P107 V112	W106-R187 VanDerWaalsContact CE3-CZ 3.45Å; P107-R187 HydrophobicContact CG-CB 4.04Å; P107-R187 HydrophobicContact CG-CG 4.42Å; V112-R187 HydrophobicContact CG2-CB 3.88Å
188	I	96.1	Very high	80.1	Confident	58 Å²	58	100.9 Å²	100.9	30%	0.297	50%	0.501	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-120.3	133	161.9	-173.2	169.4	0	0	0	108.5	A8 F149 Q150 I152 I190	A8-I188 HydrophobicContact CB-CD1 4.3Å; F149-I188 CarbonylContact C-O 3.57Å; F149-I188 WeakPolarHBondContact CA-O 3.09Å; F149-I188 WeakPolarHBondContact CB-O 3.37Å; Q150-I188 HydrophobicContact CB-CG2 3.75Å; Q150-I188 PolarHBondContact N-O 3Å; Q150-I188 WeakPolarHBondContact O-CG2 3.34Å; Q150-I188 PolarHBondContact O-N 3.36Å; I152-I188 HydrophobicContact CG2-CB 4.42Å; I152-I188 HydrophobicContact CG2-CG2 3.89Å; I188-I190 HydrophobicContact CG2-CD1 4.21Å
189	E	97.4	Very high	83.1	Confident	110 Å²	110	102.7 Å²	102.7	51%	0.514	50%	0.501	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-80.5	133.3	178.3	-172.5	168.6	172.9	0	0	110
190	I	98.2	Very high	86	Confident	4 Å²	4	98 Å²	98	2%	0.021	48%	0.481	C	S	.	.			trans	-108.4	127.2	177.2	-52.2	-55	0	0	0	108.3	A8 V9 V12 C148 Q150 I188 I192	A8-I190 HydrophobicContact CB-CD1 4.28Å; V9-I190 HydrophobicContact CB-CG2 4.38Å; V9-I190 HydrophobicContact CG1-CG2 3.94Å; V12-I190 HydrophobicContact CG2-CG2 3.85Å; C148-I190 HydrophobicContact CB-CB 4.49Å; C148-I190 PolarHBondContact O-N 2.95Å; Q150-I190 HydrophobicContact CB-CD1 4.28Å; Q150-I190 HydrophobicContact CB-CG1 4.31Å; Q150-I190 HydrophobicContact CG-CD1 4.2Å; Q150-I190 HydrophobicContact CG-CG1 3.97Å; I188-I190 HydrophobicContact CG2-CD1 4.21Å; I190-I192 PolarHBondContact O-N 3.37Å
191	P	98.4	Very high	88.6	Confident	69 Å²	69	90.3 Å²	90.3	45%	0.448	45%	0.454	S	S	.	.			trans	-55.5	127.7	174.8	-25	33.9	0	0	0	111.3	Q10 A11 V12	Q10-P191 WeakPolarHBondContact O-CD 3.34Å; A11-P191 CarbonylContact C-O 3.53Å; A11-P191 WeakPolarHBondContact CA-O 3.47Å; A11-P191 HydrophobicContact CB-CB 4.48Å; V12-P191 PolarHBondContact N-O 3.02Å
192	I	98.6	Very high	91.2	Very high	35 Å²	35	89.9 Å²	89.9	18%	0.179	45%	0.45	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-116	131.3	177	-174.8	170.1	0	0	0	110.7	V12 L14 L128 Y146 C148 I190	V12-I192 HydrophobicContact CB-CB 4.48Å; V12-I192 HydrophobicContact CB-CG1 4.31Å; V12-I192 HydrophobicContact CG1-CD1 4.49Å; V12-I192 HydrophobicContact CG1-CG1 4.36Å; V12-I192 CarbonylContact O-C 3.54Å; V12-I192 WeakPolarHBondContact O-CA 3.4Å; L14-I192 HydrophobicContact CB-CD1 4.23Å; L14-I192 HydrophobicContact CB-CG1 4.44Å; L14-I192 HydrophobicContact CD2-CD1 4.13Å; L128-I192 HydrophobicContact CD2-CD1 3.73Å; Y146-I192 HydrophobicContact CD2-CG2 4.18Å; Y146-I192 HydrophobicContact CE2-CG2 4.01Å; C148-I192 HydrophobicContact CB-CB 3.98Å; C148-I192 HydrophobicContact CB-CD1 4.25Å; C148-I192 HydrophobicContact CB-CG2 4.3Å; I190-I192 PolarHBondContact O-N 3.37Å
193	H	98.6	Very high	93.4	Very high	100 Å²	100	85.2 Å²	85.2	46%	0.463	43%	0.43	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-120.6	128.7	176.9	-58	-71.6	0	0	0	109.7	V12 H13 L14 V195	V12-H193 PolarHBondContact O-N 3.38Å; H13-H193 WeakPolarHBondContact CA-O 3.49Å; H13-H193 AromaticContact CD2-CD2 3.82Å; H13-H193 AromaticContact NE2-CD2 3.86Å; L14-H193 PolarHBondContact N-O 2.84Å; H193-V195 PolarHBondContact O-N 3.1Å
194	I	98.6	Very high	95.3	Very high	62 Å²	62	80.4 Å²	80.4	32%	0.318	41%	0.408	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-83.1	117	171.6	-58.3	178.8	0	0	0	107.9	L14 F19 Y146	L14-I194 CarbonylContact O-C 3.48Å; L14-I194 VanDerWaalsContact O-CA 3.28Å; L14-I194 WeakPolarHBondContact O-CA 3.45Å; F19-I194 HydrophobicContact CD1-CD1 4.23Å; F19-I194 HydrophobicContact CD2-CD1 3.66Å; F19-I194 HydrophobicContact CD2-CG1 4.3Å; F19-I194 HydrophobicContact CE1-CD1 4.23Å; F19-I194 HydrophobicContact CE2-CD1 3.64Å; F19-I194 HydrophobicContact CG-CD1 3.96Å; F19-I194 HydrophobicContact CZ-CD1 3.95Å; Y146-I194 HydrophobicContact CE1-CD1 4.41Å; Y146-I194 HydrophobicContact CE2-CD1 4.38Å
195	V	98.4	Very high	96.1	Very high	55 Å²	55	75.8 Å²	75.8	33%	0.333	40%	0.397	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-87	123.3	177.7	-178.2	0	0	0	0	108.5	H13 L14 S16 H193 H197	H13-V195 HydrophobicContact CB-CG2 3.75Å; L14-V195 PolarHBondContact O-N 3.14Å; S16-V195 PolarHBondContact N-O 3.46Å; H193-V195 PolarHBondContact O-N 3.1Å; V195-H197 PolarHBondContact O-N 3.36Å
196	P	97.8	Very high	96.3	Very high	114 Å²	114	76.4 Å²	76.4	74%	0.74	40%	0.402	S	S	*	.	P	Polyproline II helix	trans	-68.7	129.2	-178.1	27.9	-34.1	0	0	0	111
197	H	95.6	Very high	96.4	Very high	78 Å²	78	72.4 Å²	72.4	36%	0.361	39%	0.386	S	S	.	.			trans	-126.8	123	171.8	-162.5	-95.6	0	0	0	108.2	S16 D17 V195 T199	S16-H197 WeakPolarHBondContact OG-CB 3.28Å; S16-H197 PolarHBondContact OG-N 3.3Å; S16-H197 PolarHBondContact OG-O 2.77Å; D17-H197 IonicContact OD1-CG 4Å; D17-H197 IonicContact OD1-ND1 3.6Å; D17-H197 IonicContact OD2-CE1 3.51Å; D17-H197 IonicContact OD2-CG 3.66Å; D17-H197 IonicContact OD2-ND1 2.8Å; D17-H197 PolarHBondContact OD2-ND1 3.18Å; V195-H197 PolarHBondContact O-N 3.36Å; H197-T199 PolarHBondContact CE1-O 2.99Å; H197-T199 PolarHBondContact ND1-O 3.18Å
198	V	95.1	Very high	96.4	Very high	148 Å²	148	69.1 Å²	69.1	90%	0.897	38%	0.381	S	S	*	.	S	Bend	trans	-78.8	-24.9	-164.8	-179.7	0	0	0	0	112.6
199	T	96.2	Very high	96.3	Very high	96 Å²	96	70 Å²	70	59%	0.589	39%	0.389	S	S	*	.	S	Bend	trans	-128.9	141.2	-175.3	56.2	0	0	0	0	109.8	H197 G201	H197-T199 PolarHBondContact CE1-O 2.99Å; H197-T199 PolarHBondContact ND1-O 3.18Å; T199-G201 PolarHBondContact O-N 2.91Å; T199-G201 VanDerWaalsContact O-N 3.14Å
200	I	96.3	Very high	96.1	Very high	93 Å²	93	68.3 Å²	68.3	48%	0.477	38%	0.381	S	S	.	.			trans	-69.9	116.6	178.1	-56.5	174.4	0	0	0	110.3	D17 L20 C204 L205	D17-I200 VanDerWaalsContact OD2-CA 3.28Å; D17-I200 WeakPolarHBondContact OD2-CA 3.28Å; L20-I200 HydrophobicContact CD2-CD1 3.75Å; L20-I200 HydrophobicContact CD2-CG1 4.34Å; I200-C204 HydrophobicContact CG2-CB 4.31Å; I200-L205 HydrophobicContact CG2-CB 4.08Å
201	G	94.5	Very high	95.7	Very high	24 Å²	24	69.2 Å²	69.2	25%	0.247	39%	0.386	C	S	.	.			trans	-61.3	147	174.9	0	0	0	0	0	112.4	D17 T199 V203 C204 L205	D17-G201 PolarHBondContact OD2-N 2.99Å; T199-G201 PolarHBondContact O-N 2.91Å; T199-G201 VanDerWaalsContact O-N 3.14Å; G201-V203 VanDerWaalsContact C-N 3.29Å; G201-V203 PolarHBondContact O-N 3.38Å; G201-C204 PolarHBondContact O-N 2.74Å; G201-L205 PolarHBondContact O-N 3.13Å
202	K	95.3	Very high	95.4	Very high	147 Å²	147	70 Å²	70	64%	0.639	39%	0.391	S	S	*	.	H	α-helix	trans	-54.2	-43.4	-177.8	179.6	177.8	170.9	-178.8	0	112.8	L205 E206	K202-L205 PolarHBondContact O-N 3.31Å; K202-E206 WeakPolarHBondContact CE-OE1 2.99Å; K202-E206 HydrophobicContact CG-CG 4.38Å; K202-E206 IonicContact NZ-OE1 2.71Å; K202-E206 WeakPolarHBondContact O-CB 3.39Å; K202-E206 WeakPolarHBondContact O-CG 3.5Å; K202-E206 PolarHBondContact O-N 3.14Å
203	V	94.8	Very high	95	Very high	28 Å²	28	74 Å²	74	17%	0.17	41%	0.407	C	S	.	.	H	α-helix	trans	-61.8	-47.3	-179.2	-178.1	0	0	0	0	111	L83 G201 L205 E206 S207	L83-V203 HydrophobicContact CD1-CG1 3.88Å; L83-V203 HydrophobicContact CD2-CB 4.31Å; L83-V203 HydrophobicContact CD2-CG1 3.7Å; L83-V203 HydrophobicContact CD2-CG2 3.57Å; L83-V203 HydrophobicContact CG-CG1 4.47Å; G201-V203 VanDerWaalsContact C-N 3.29Å; G201-V203 PolarHBondContact O-N 3.38Å; V203-L205 VanDerWaalsContact C-N 3.33Å; V203-L205 PolarHBondContact O-N 2.99Å; V203-E206 PolarHBondContact O-N 3.12Å; V203-S207 PolarHBondContact O-N 2.85Å; V203-S207 PolarHBondContact O-OG 2.83Å
204	C	95.7	Very high	94.5	Very high	4 Å²	4	70.8 Å²	70.8	3%	0.027	39%	0.393	C	S	.	.	H	α-helix	trans	-64.5	-37.7	177.1	-69	0	0	0	0	112.1	D17 V21 H51 I200 G201 S207 A208	D17-C204 HydrophobicContact CB-CB 3.96Å; V21-C204 HydrophobicContact CG2-CB 4.01Å; V21-C204 WeakPolarHBondContact CG2-O 3.38Å; H51-C204 PolarHBondContact O-SG 2.98Å; H51-C204 VanDerWaalsContact O-SG 3.36Å; I200-C204 HydrophobicContact CG2-CB 4.31Å; G201-C204 PolarHBondContact O-N 2.74Å; C204-S207 PolarHBondContact O-N 2.95Å; C204-A208 WeakPolarHBondContact O-CB 3.28Å; C204-A208 PolarHBondContact O-N 2.8Å
205	L	95.8	Very high	93.9	Very high	93 Å²	93	71.1 Å²	71.1	49%	0.487	40%	0.395	S	S	.	.	H	α-helix	trans	-65.1	-44.1	175.4	-175.1	62.8	0	0	0	111.9	I200 G201 K202 V203 A208 V209	I200-L205 HydrophobicContact CG2-CB 4.08Å; G201-L205 PolarHBondContact O-N 3.13Å; K202-L205 PolarHBondContact O-N 3.31Å; V203-L205 VanDerWaalsContact C-N 3.33Å; V203-L205 PolarHBondContact O-N 2.99Å; L205-A208 WeakPolarHBondContact O-CB 3.46Å; L205-A208 PolarHBondContact O-N 3.42Å; L205-V209 PolarHBondContact O-N 2.83Å; L205-V209 VanDerWaalsContact O-N 3.13Å
206	E	94.6	Very high	93.4	Very high	80 Å²	80	71.7 Å²	71.7	37%	0.374	40%	0.4	S	S	.	.	H	α-helix	trans	-59.2	-48.1	174.6	-75.2	175.9	167.1	0	0	110.6	K202 V203 A208 V209 E210	K202-E206 WeakPolarHBondContact CE-OE1 2.99Å; K202-E206 HydrophobicContact CG-CG 4.38Å; K202-E206 IonicContact NZ-OE1 2.71Å; K202-E206 WeakPolarHBondContact O-CB 3.39Å; K202-E206 WeakPolarHBondContact O-CG 3.5Å; K202-E206 PolarHBondContact O-N 3.14Å; V203-E206 PolarHBondContact O-N 3.12Å; E206-A208 VanDerWaalsContact C-N 3.31Å; E206-A208 PolarHBondContact O-N 3Å; E206-V209 WeakPolarHBondContact O-CG2 3.3Å; E206-V209 PolarHBondContact O-N 2.64Å; E206-E210 PolarHBondContact O-N 2.91Å
207	S	94	Very high	92.9	Very high	19 Å²	19	70.4 Å²	70.4	13%	0.133	38%	0.384	C	S	.	.	H	α-helix	trans	-59.7	-38.7	174.5	-65.4	0	0	0	0	113.2	V53 I55 V203 C204 V209 E210	V53-S207 VanDerWaalsContact O-CB 3.24Å; V53-S207 WeakPolarHBondContact O-CB 3.48Å; V53-S207 PolarHBondContact O-OG 2.66Å; I55-S207 WeakPolarHBondContact CD1-O 3.46Å; V203-S207 PolarHBondContact O-N 2.85Å; V203-S207 PolarHBondContact O-OG 2.83Å; C204-S207 PolarHBondContact O-N 2.95Å; S207-V209 VanDerWaalsContact C-N 3.35Å; S207-V209 PolarHBondContact O-N 3.14Å; S207-E210 PolarHBondContact O-N 2.81Å
208	A	93.7	Very high	92.2	Very high	34 Å²	34	67.6 Å²	67.6	28%	0.281	37%	0.372	S	S	.	.	H	α-helix	trans	-64.5	-38.3	179.4	0	0	0	0	0	112.5	V21 C204 L205 E206 E210 L211	V21-A208 HydrophobicContact CG2-CB 4.2Å; C204-A208 WeakPolarHBondContact O-CB 3.28Å; C204-A208 PolarHBondContact O-N 2.8Å; L205-A208 WeakPolarHBondContact O-CB 3.46Å; L205-A208 PolarHBondContact O-N 3.42Å; E206-A208 VanDerWaalsContact C-N 3.31Å; E206-A208 PolarHBondContact O-N 3Å; A208-E210 VanDerWaalsContact C-N 3.28Å; A208-E210 PolarHBondContact O-N 3.4Å; A208-L211 PolarHBondContact O-N 2.91Å
209	V	95.1	Very high	91.6	Very high	77 Å²	77	66.9 Å²	66.9	47%	0.467	36%	0.358	S	S	.	.	H	α-helix	trans	-81.3	-5.3	-179.6	-58.6	0	0	0	0	113.6	L205 E206 S207	L205-V209 PolarHBondContact O-N 2.83Å; L205-V209 VanDerWaalsContact O-N 3.13Å; E206-V209 WeakPolarHBondContact O-CG2 3.3Å; E206-V209 PolarHBondContact O-N 2.64Å; S207-V209 VanDerWaalsContact C-N 3.35Å; S207-V209 PolarHBondContact O-N 3.14Å
210	E	92.8	Very high	91.2	Very high	75 Å²	75	66.1 Å²	66.1	35%	0.35	35%	0.348	S	S	.	.	H	α-helix	trans	-75.2	-25.4	169.8	-70.3	-53.6	122.5	0	0	112.5	E206 S207 A208 K213 I214	E206-E210 PolarHBondContact O-N 2.91Å; S207-E210 PolarHBondContact O-N 2.81Å; A208-E210 VanDerWaalsContact C-N 3.28Å; A208-E210 PolarHBondContact O-N 3.4Å; E210-K213 WeakPolarHBondContact O-CB 3.45Å; E210-K213 PolarHBondContact O-N 2.99Å; E210-K213 IonicContact OE1-NZ 2.64Å; E210-K213 PolarHBondContact OE1-NZ 3.28Å; E210-K213 WeakPolarHBondContact OE2-CD 3.45Å; E210-K213 IonicContact OE2-NZ 2.91Å; E210-I214 HydrophobicContact CB-CD1 4.3Å; E210-I214 WeakPolarHBondContact O-CG1 3.46Å; E210-I214 PolarHBondContact O-N 2.91Å
211	L	90.8	Very high	90.6	Very high	23 Å²	23	63.1 Å²	63.1	12%	0.12	33%	0.333	C	S	.	.	H	α-helix	trans	-55.9	-50.9	-176.8	177.3	62.3	0	0	0	113.3	H25 I55 A208 K213 I214 L215	H25-L211 VanDerWaalsContact CD2-CD1 3.48Å; H25-L211 WeakPolarHBondContact CD2-CD1 3.39Å; I55-L211 HydrophobicContact CD1-CB 3.79Å; I55-L211 HydrophobicContact CD1-CD1 4.47Å; I55-L211 HydrophobicContact CG2-CD1 4.17Å; A208-L211 PolarHBondContact O-N 2.91Å; L211-K213 PolarHBondContact O-N 3.39Å; L211-I214 PolarHBondContact O-N 2.85Å; L211-L215 HydrophobicContact CD1-CD1 4.02Å; L211-L215 HydrophobicContact CD1-CD2 4.44Å; L211-L215 HydrophobicContact CD1-CG 4Å; L211-L215 HydrophobicContact CG-CD1 4.07Å; L211-L215 HydrophobicContact CG-CG 4.45Å; L211-L215 WeakPolarHBondContact O-CG 3.28Å; L211-L215 PolarHBondContact O-N 3.39Å
212	P	90.6	Very high	89.9	Confident	85 Å²	85	64.1 Å²	64.1	55%	0.552	34%	0.339	S	S	*	.	H	α-helix	trans	-60.9	-32.7	177.5	-23.2	34.7	0	0	0	113.3	C216	P212-C216 WeakPolarHBondContact O-CB 3.18Å; P212-C216 PolarHBondContact O-N 3.06Å
213	K	91.1	Very high	89.5	Confident	120 Å²	120	65.9 Å²	65.9	52%	0.522	34%	0.343	S	S	.	.	H	α-helix	trans	-68.7	-45	177.7	-59.7	175.7	-173.5	168.8	0	110.6	E210 L211 C216 Q217	E210-K213 WeakPolarHBondContact O-CB 3.45Å; E210-K213 PolarHBondContact O-N 2.99Å; E210-K213 IonicContact OE1-NZ 2.64Å; E210-K213 PolarHBondContact OE1-NZ 3.28Å; E210-K213 WeakPolarHBondContact OE2-CD 3.45Å; E210-K213 IonicContact OE2-NZ 2.91Å; L211-K213 PolarHBondContact O-N 3.39Å; K213-C216 PolarHBondContact O-N 2.83Å; K213-Q217 WeakPolarHBondContact O-CB 3.31Å; K213-Q217 PolarHBondContact O-N 3.48Å
214	I	87.7	Confident	89.2	Confident	31 Å²	31	72.3 Å²	72.3	16%	0.159	36%	0.364	C	S	.	.	H	α-helix	trans	-60.8	-47.7	177.4	-69.5	168.8	0	0	0	110.8	I55 R57 E210 L211 C216 Q217 E218	I55-I214 HydrophobicContact CB-CD1 3.87Å; I55-I214 HydrophobicContact CG2-CD1 3.5Å; I55-I214 VanDerWaalsContact CG2-CD1 3.5Å; I55-I214 WeakPolarHBondContact O-CD1 3.43Å; R57-I214 HydrophobicContact CB-CG2 4.02Å; E210-I214 HydrophobicContact CB-CD1 4.3Å; E210-I214 WeakPolarHBondContact O-CG1 3.46Å; E210-I214 PolarHBondContact O-N 2.91Å; L211-I214 PolarHBondContact O-N 2.85Å; I214-C216 VanDerWaalsContact C-N 3.35Å; I214-C216 PolarHBondContact O-N 2.92Å; I214-Q217 WeakPolarHBondContact O-CB 3.19Å; I214-Q217 PolarHBondContact O-N 3.05Å; I214-E218 PolarHBondContact O-N 3.49Å
215	L	86.2	Confident	88.5	Confident	70 Å²	70	81.2 Å²	81.2	37%	0.366	40%	0.397	S	S	.	.	H	α-helix	trans	-62.2	-41.4	178.2	-66.5	175.5	0	0	0	111.9	L211 Q217 E218 E219	L211-L215 HydrophobicContact CD1-CD1 4.02Å; L211-L215 HydrophobicContact CD1-CD2 4.44Å; L211-L215 HydrophobicContact CD1-CG 4Å; L211-L215 HydrophobicContact CG-CD1 4.07Å; L211-L215 HydrophobicContact CG-CG 4.45Å; L211-L215 WeakPolarHBondContact O-CG 3.28Å; L211-L215 PolarHBondContact O-N 3.39Å; L215-Q217 VanDerWaalsContact C-N 3.35Å; L215-Q217 PolarHBondContact O-N 2.99Å; L215-E218 WeakPolarHBondContact O-CB 3.47Å; L215-E218 PolarHBondContact O-N 2.88Å; L215-E219 PolarHBondContact O-N 2.68Å
216	C	88.2	Confident	87.2	Confident	66 Å²	66	86.1 Å²	86.1	45%	0.446	42%	0.422	S	S	.	.	H	α-helix	trans	-63.5	-41.4	175.7	-171.1	0	0	0	0	111.9	P212 K213 I214 E218 E219 Q220	P212-C216 WeakPolarHBondContact O-CB 3.18Å; P212-C216 PolarHBondContact O-N 3.06Å; K213-C216 PolarHBondContact O-N 2.83Å; I214-C216 VanDerWaalsContact C-N 3.35Å; I214-C216 PolarHBondContact O-N 2.92Å; C216-E218 VanDerWaalsContact C-N 3.34Å; C216-E219 PolarHBondContact O-N 3.17Å; C216-Q220 VanDerWaalsContact O-CG 3.28Å; C216-Q220 WeakPolarHBondContact O-CG 3.36Å; C216-Q220 PolarHBondContact O-N 2.96Å; C216-Q220 PolarHBondContact SG-NE2 3.07Å; C216-Q220 VanDerWaalsContact SG-NE2 3.36Å
217	Q	85.9	Confident	86.9	Confident	87 Å²	87	86.4 Å²	86.4	41%	0.407	42%	0.424	S	S	.	.	H	α-helix	trans	-64.2	-38.6	176.9	-163.2	75.5	54.2	0	0	111.8	K213 I214 L215 Q220 D221	K213-Q217 WeakPolarHBondContact O-CB 3.31Å; K213-Q217 PolarHBondContact O-N 3.48Å; I214-Q217 WeakPolarHBondContact O-CB 3.19Å; I214-Q217 PolarHBondContact O-N 3.05Å; L215-Q217 VanDerWaalsContact C-N 3.35Å; L215-Q217 PolarHBondContact O-N 2.99Å; Q217-Q220 PolarHBondContact O-N 3.35Å; Q217-D221 PolarHBondContact O-N 3.37Å
218	E	82.2	Confident	86.5	Confident	20 Å²	20	89.9 Å²	89.9	9%	0.093	44%	0.439	C	S	.	.	H	α-helix	trans	-58.6	-49.7	174.9	-83.2	-168.6	-166.8	0	0	112.2	R57 K61 I214 L215 C216 D221 A222	R57-E218 HydrophobicContact CG-CG 3.89Å; R57-E218 WeakPolarHBondContact CG-OE1 3.16Å; R57-E218 VanDerWaalsContact NE-CG 3.29Å; K61-E218 IonicContact NZ-OE2 2.68Å; K61-E218 PolarHBondContact NZ-OE2 3.1Å; I214-E218 PolarHBondContact O-N 3.49Å; L215-E218 WeakPolarHBondContact O-CB 3.47Å; L215-E218 PolarHBondContact O-N 2.88Å; C216-E218 VanDerWaalsContact C-N 3.34Å; E218-D221 PolarHBondContact O-N 3.2Å; E218-A222 PolarHBondContact O-N 2.96Å
219	E	83	Confident	86.1	Confident	133 Å²	133	93.1 Å²	93.1	62%	0.621	45%	0.448	S	S	*	.	H	α-helix	trans	-64.9	-42.7	178.8	-70.7	-59.2	132.3	0	0	112	L215 C216 D221 A222 Y223	L215-E219 PolarHBondContact O-N 2.68Å; C216-E219 PolarHBondContact O-N 3.17Å; E219-D221 VanDerWaalsContact C-N 3.32Å; E219-D221 PolarHBondContact O-N 2.73Å; E219-A222 PolarHBondContact O-N 2.84Å; E219-Y223 WeakPolarHBondContact O-CB 3.36Å; E219-Y223 PolarHBondContact O-N 3.08Å
220	Q	87.3	Confident	85.6	Confident	80 Å²	80	94 Å²	94	37%	0.374	45%	0.447	S	S	.	.	H	α-helix	trans	-60.5	-41.6	177.5	-75	176.8	15.8	0	0	112.3	C216 Q217 Y223 R224	C216-Q220 VanDerWaalsContact O-CG 3.28Å; C216-Q220 WeakPolarHBondContact O-CG 3.36Å; C216-Q220 PolarHBondContact O-N 2.96Å; C216-Q220 PolarHBondContact SG-NE2 3.07Å; C216-Q220 VanDerWaalsContact SG-NE2 3.36Å; Q217-Q220 PolarHBondContact O-N 3.35Å; Q220-Y223 PolarHBondContact O-N 3.3Å; Q220-R224 VanDerWaalsContact O-CG 3.28Å; Q220-R224 WeakPolarHBondContact O-CG 3.48Å; Q220-R224 PolarHBondContact O-N 3.26Å
221	D	82.8	Confident	85.1	Confident	29 Å²	29	95.2 Å²	95.2	16%	0.155	45%	0.453	C	S	.	.	H	α-helix	trans	-74.9	-31.4	179.3	-71.4	-18.1	0	0	0	112.6	R57 Q217 E218 E219 Y223 R224 R225	R57-D221 IonicContact CZ-OD2 3.84Å; R57-D221 IonicContact NH1-OD2 3.71Å; R57-D221 PolarHBondContact NH1-OD2 3.31Å; R57-D221 VanDerWaalsContact NH2-CB 3.26Å; R57-D221 IonicContact NH2-OD2 2.67Å; R57-D221 PolarHBondContact NH2-OD2 2.83Å; Q217-D221 PolarHBondContact O-N 3.37Å; E218-D221 PolarHBondContact O-N 3.2Å; E219-D221 VanDerWaalsContact C-N 3.32Å; E219-D221 PolarHBondContact O-N 2.73Å; D221-Y223 VanDerWaalsContact C-N 3.33Å; D221-R224 PolarHBondContact O-N 3.38Å; D221-R224 IonicContact OD1-CZ 2.92Å; D221-R224 IonicContact OD1-NH1 3.49Å; D221-R224 PolarHBondContact OD1-NH1 3.45Å; D221-R225 VanDerWaalsContact O-CG 3.3Å; D221-R225 WeakPolarHBondContact O-CG 3.3Å; D221-R225 PolarHBondContact O-N 3.35Å
222	A	80.6	Confident	84.7	Confident	45 Å²	45	100 Å²	100	37%	0.372	48%	0.475	S	S	.	.	H	α-helix	trans	-61.5	-45.5	169.3	0	0	0	0	0	110.5	E218 E219 R224 R225	E218-A222 PolarHBondContact O-N 2.96Å; E219-A222 PolarHBondContact O-N 2.84Å; A222-R224 PolarHBondContact O-N 2.93Å; A222-R225 PolarHBondContact O-N 3.48Å
223	Y	86.4	Confident	84.3	Confident	185 Å²	185	101.1 Å²	101.1	73%	0.725	47%	0.47	S	S	*	.	H	α-helix	trans	-61.5	-40.3	176.8	-173.6	-95.4	0	0	0	112.8	E219 Q220 D221 R225 I226	E219-Y223 WeakPolarHBondContact O-CB 3.36Å; E219-Y223 PolarHBondContact O-N 3.08Å; Q220-Y223 PolarHBondContact O-N 3.3Å; D221-Y223 VanDerWaalsContact C-N 3.33Å; Y223-R225 PolarHBondContact O-N 3.46Å; Y223-I226 PolarHBondContact O-N 3.47Å
224	R	88.7	Confident	83.8	Confident	162 Å²	162	99.6 Å²	99.6	61%	0.611	47%	0.466	S	S	*	.	H	α-helix	trans	-68.8	-17.1	179.1	-73	171.2	-171	159.6	-1	114.7	Q220 D221 A222	Q220-R224 VanDerWaalsContact O-CG 3.28Å; Q220-R224 WeakPolarHBondContact O-CG 3.48Å; Q220-R224 PolarHBondContact O-N 3.26Å; D221-R224 PolarHBondContact O-N 3.38Å; D221-R224 IonicContact OD1-CZ 2.92Å; D221-R224 IonicContact OD1-NH1 3.49Å; D221-R224 PolarHBondContact OD1-NH1 3.45Å; A222-R224 PolarHBondContact O-N 2.93Å
225	R	81.9	Confident	83.5	Confident	191 Å²	191	105.3 Å²	105.3	72%	0.721	49%	0.491	S	S	*	.	T	Hydrogen-bonded Turn	trans	-90.1	-10.4	-179.8	-71.6	172.4	-169.3	170.7	3.7	113.1	D221 A222 Y223	D221-R225 VanDerWaalsContact O-CG 3.3Å; D221-R225 WeakPolarHBondContact O-CG 3.3Å; D221-R225 PolarHBondContact O-N 3.35Å; A222-R225 PolarHBondContact O-N 3.48Å; Y223-R225 PolarHBondContact O-N 3.46Å
226	I	68.5	Low	83.2	Confident	196 Å²	196	108.5 Å²	108.5	100%	1.005	50%	0.503	S	S	*	.			trans	-90.9	0	175.9	-59.2	171	0	0	0	108.5	Y223	Y223-I226 PolarHBondContact O-N 3.47Å

Retrieved 226 of 226 residues in 53.6 ms (Link to these results)

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