A0A096MXL9_PAPAN Loading...

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 (A0A2K5UU36), UniProt , Accession A0A096MXL9, Species PAPAN (Papio anubis, Olive baboon), Gene BRCC3, Length 292 aa.

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(Predicted Aligned Error values between residue pairs)

Download Structure PDB PAE Table

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	33.6	Very low	60.6	Low	236 Å²	236	92.8 Å²	92.8	100%	1.163	53%	0.525	S	S	*	.				0	120.4	0	-68	-154.7	-96.3	0	0	106.7	V3	M1-V3 PolarHBondContact O-N 2.85Å
2	A	30.5	Very low	63.7	Low	103 Å²	103	85.1 Å²	85.1	85%	0.851	48%	0.482	S	S	*	.			trans	-64.7	117.6	179.9	0	0	0	0	0	108.1	Q4	A2-Q4 PolarHBondContact O-N 3.23Å
3	V	37.5	Very low	66.3	Low	128 Å²	128	81.9 Å²	81.9	78%	0.776	46%	0.46	S	S	*	.			trans	-63	105.7	166.6	178.6	0	0	0	0	104.8	M1 V5	M1-V3 PolarHBondContact O-N 2.85Å; V3-V5 PolarHBondContact O-N 3.13Å
4	Q	40.8	Very low	68.6	Low	174 Å²	174	76.1 Å²	76.1	81%	0.813	43%	0.427	S	S	*	.			trans	-60.4	107.2	172.2	-135.1	172.2	-2.4	0	0	105.2	A2 V6	A2-Q4 PolarHBondContact O-N 3.23Å; Q4-V6 VanDerWaalsContact C-N 3.27Å; Q4-V6 PolarHBondContact O-N 2.75Å
5	V	47.8	Very low	70.6	Confident	128 Å²	128	73.7 Å²	73.7	78%	0.776	41%	0.412	S	S	*	.			trans	-64.3	98.6	172.4	178.8	0	0	0	0	105	V3 Q7	V3-V5 PolarHBondContact O-N 3.13Å; V5-Q7 PolarHBondContact O-N 3.2Å
6	V	54.4	Low	72.3	Confident	77 Å²	77	71 Å²	71	47%	0.467	40%	0.399	S	S	.	.			trans	-65.3	102.8	173.4	-177.8	0	0	0	0	105.3	Q4 A8 Q148	Q4-V6 VanDerWaalsContact C-N 3.27Å; Q4-V6 PolarHBondContact O-N 2.75Å; V6-A8 PolarHBondContact O-N 2.94Å; V6-Q148 VanDerWaalsContact CG1-OE1 3.23Å
7	Q	66.2	Low	73.8	Confident	63 Å²	63	67.4 Å²	67.4	29%	0.294	38%	0.378	S	S	.	.			trans	-71.8	101.6	174.1	-119.8	175	-18.8	0	0	106.5	V5 D68 R71	V5-Q7 PolarHBondContact O-N 3.2Å; Q7-D68 PolarHBondContact NE2-OD1 3.1Å; Q7-D68 VanDerWaalsContact NE2-OD1 3.1Å; Q7-R71 VanDerWaalsContact CB-CZ 3.48Å
8	A	76.9	Confident	75.1	Confident	18 Å²	18	63.6 Å²	63.6	15%	0.149	36%	0.357	C	S	.	.			trans	-61.9	159.2	174.1	0	0	0	0	0	110.8	V6 Q10	V6-A8 PolarHBondContact O-N 2.94Å; A8-Q10 PolarHBondContact O-NE2 3Å; A8-Q10 PolarHBondContact O-OE1 2.94Å
9	V	91	Very high	76.4	Confident	9 Å²	9	62.2 Å²	62.2	6%	0.055	35%	0.347	C	S	.	.			trans	-65.9	136.2	170.8	170.5	0	0	0	0	109.3	A11 V12 L42 V73 V151 Q175 I190	V9-A11 VanDerWaalsContact CG1-O 3.25Å; V9-A11 WeakPolarHBondContact CG1-O 3.35Å; V9-V12 HydrophobicContact CG1-CG2 4.38Å; V9-L42 HydrophobicContact CG2-CD1 4.42Å; V9-V73 HydrophobicContact CG1-CB 4.46Å; V9-V73 HydrophobicContact CG1-CG2 3.78Å; V9-V73 HydrophobicContact CG2-CG2 3.9Å; V9-V151 HydrophobicContact CB-CG1 4.27Å; V9-V151 HydrophobicContact CG1-CG1 4.27Å; V9-V151 HydrophobicContact CG2-CG1 4.14Å; V9-Q175 VanDerWaalsContact N-OE1 3.1Å; V9-I190 HydrophobicContact CB-CD1 4.02Å; V9-I190 HydrophobicContact CG1-CD1 4.4Å; V9-I190 HydrophobicContact CG1-CG2 4.15Å
10	Q	92.4	Very high	77.5	Confident	74 Å²	74	61.6 Å²	61.6	35%	0.346	34%	0.343	S	S	.	.			trans	-86.8	-33.4	-177.4	-77.1	68.3	37.3	0	0	112.7	A8 V70 R71 P191	A8-Q10 PolarHBondContact O-NE2 3Å; A8-Q10 PolarHBondContact O-OE1 2.94Å; Q10-V70 HydrophobicContact CB-CG1 3.83Å; Q10-V70 HydrophobicContact CG-CG1 4.23Å; Q10-R71 PolarHBondContact N-O 3.08Å; Q10-R71 PolarHBondContact OE1-O 2.86Å; Q10-P191 WeakPolarHBondContact O-CD 3.34Å
11	A	95.3	Very high	78.5	Confident	11 Å²	11	58.8 Å²	58.8	9%	0.091	33%	0.327	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-155.5	156.6	179.3	0	0	0	0	0	112	V9 I72 V73 P191	V9-A11 VanDerWaalsContact CG1-O 3.25Å; V9-A11 WeakPolarHBondContact CG1-O 3.35Å; A11-I72 HydrophobicContact CB-CG1 4.42Å; A11-I72 HydrophobicContact CB-CG2 4.42Å; A11-I72 WeakPolarHBondContact O-CA 3.43Å; A11-V73 PolarHBondContact O-N 3.14Å; A11-P191 CarbonylContact C-O 3.58Å; A11-P191 WeakPolarHBondContact CA-O 3.36Å
12	V	97.8	Very high	81.5	Confident	0 Å²	0	47.6 Å²	47.6	0%	0	27%	0.272	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-119.1	125.5	170.4	-179.4	0	0	0	0	109.4	V9 V73 I75 V151 C173 I190 P191 I192 H193	V9-V12 HydrophobicContact CG1-CG2 4.38Å; V12-V73 CarbonylContact C-O 3.54Å; V12-V73 WeakPolarHBondContact CA-O 3.25Å; V12-V73 HydrophobicContact CG2-CB 4.25Å; V12-I75 HydrophobicContact CG1-CD1 3.66Å; V12-I75 HydrophobicContact CG1-CG1 4.16Å; V12-V151 HydrophobicContact CG2-CB 4.36Å; V12-V151 HydrophobicContact CG2-CG1 4.06Å; V12-V151 HydrophobicContact CG2-CG2 4.15Å; V12-C173 VanDerWaalsContact CG2-SG 3.55Å; V12-I190 HydrophobicContact CG2-CG2 3.87Å; V12-P191 PolarHBondContact N-O 3.37Å; V12-I192 HydrophobicContact CB-CG1 4.4Å; V12-I192 HydrophobicContact CG1-CG1 4.46Å; V12-I192 CarbonylContact O-C 3.56Å; V12-I192 WeakPolarHBondContact O-CA 2.99Å; V12-H193 PolarHBondContact O-N 2.97Å
13	H	98.2	Very high	84.8	Confident	44 Å²	44	44.4 Å²	44.4	20%	0.204	24%	0.241	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-102.7	109.9	171.3	-71.3	178.7	0	0	0	108.5	I72 V73 H74 I75 H193 V195	H13-I72 HydrophobicContact CB-CG2 4.35Å; H13-V73 PolarHBondContact N-O 3.14Å; H13-H74 AromaticContact ND1-CE1 3.28Å; H13-H74 PolarHBondContact ND1-CE1 2.91Å; H13-H74 VanDerWaalsContact ND1-CE1 3.28Å; H13-H74 AromaticContact ND1-ND1 3.8Å; H13-H74 AromaticContact ND1-NE2 3.78Å; H13-H74 CarbonylContact O-C 3.56Å; H13-H74 WeakPolarHBondContact O-CA 3.42Å; H13-I75 PolarHBondContact O-N 3Å; H13-H193 CarbonylContact C-O 3.54Å; H13-H193 WeakPolarHBondContact CA-O 3.43Å; H13-H193 AromaticContact CD2-CD2 3.81Å; H13-H193 AromaticContact NE2-CD2 3.77Å; H13-V195 HydrophobicContact CB-CG2 3.77Å
14	L	98.4	Very high	87.7	Confident	0 Å²	0	41.5 Å²	41.5	0%	0	22%	0.221	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-102.7	118.2	179.2	176.4	61.1	0	0	0	109.2	A18 F19 I75 L153 I192 H193 I194 V195	L14-A18 HydrophobicContact CD1-CB 3.68Å; L14-F19 HydrophobicContact CD2-CB 3.88Å; L14-F19 HydrophobicContact CD2-CD2 3.8Å; L14-F19 HydrophobicContact CD2-CG 4.35Å; L14-F19 HydrophobicContact CG-CB 4.11Å; L14-I75 HydrophobicContact CD1-CB 3.69Å; L14-I75 HydrophobicContact CD1-CD1 4.25Å; L14-I75 HydrophobicContact CD1-CG2 3.57Å; L14-L153 HydrophobicContact CD2-CD2 4.09Å; L14-I192 HydrophobicContact CB-CD1 4.22Å; L14-I192 HydrophobicContact CB-CG1 4.4Å; L14-I192 HydrophobicContact CD2-CD1 4.06Å; L14-H193 PolarHBondContact N-O 3.15Å; L14-I194 CarbonylContact O-C 3.46Å; L14-I194 VanDerWaalsContact O-CA 3.28Å; L14-I194 WeakPolarHBondContact O-CA 3.47Å; L14-V195 PolarHBondContact O-N 2.88Å
15	E	98.3	Very high	90.4	Very high	41 Å²	41	33.6 Å²	33.6	19%	0.192	18%	0.184	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-62.5	139.4	174.5	-69.2	-173.4	169.2	0	0	110.7	D17 A18 F19 I75 H76	E15-D17 PolarHBondContact O-N 2.64Å; E15-D17 VanDerWaalsContact O-N 3.14Å; E15-A18 WeakPolarHBondContact O-CB 3.49Å; E15-A18 PolarHBondContact O-N 3.16Å; E15-F19 PolarHBondContact O-N 2.97Å; E15-I75 PolarHBondContact N-O 3.46Å; E15-H76 VanDerWaalsContact CD-CD2 3.43Å; E15-H76 IonicContact OE1-CD2 3.62Å; E15-H76 PolarHBondContact OE1-CD2 3.41Å; E15-H76 IonicContact OE1-NE2 3.94Å; E15-H76 PolarHBondContact OE1-NE2 3.15Å; E15-H76 IonicContact OE2-CD2 3.7Å
16	S	98.2	Very high	92.8	Very high	30 Å²	30	27.6 Å²	27.6	21%	0.21	15%	0.147	C	C	.	.	H	α-helix	trans	-59.2	-28.3	-176.8	56	0	0	0	0	113.2	F19 L20 V195 H197	S16-F19 WeakPolarHBondContact O-CB 3.46Å; S16-F19 PolarHBondContact O-N 3.36Å; S16-L20 WeakPolarHBondContact O-CB 3.39Å; S16-L20 PolarHBondContact O-N 3.24Å; S16-V195 PolarHBondContact N-O 3.43Å; S16-V195 PolarHBondContact OG-O 3.2Å; S16-H197 WeakPolarHBondContact OG-CB 3.47Å; S16-H197 PolarHBondContact OG-N 3.01Å; S16-H197 PolarHBondContact OG-O 3.5Å; S16-H197 VanDerWaalsContact OG-O 3.14Å
17	D	96.6	Very high	94.8	Very high	9 Å²	9	27.3 Å²	27.3	5%	0.048	14%	0.143	C	C	.	.	H	α-helix	trans	-66.4	-46.3	175.6	-66.9	4.9	0	0	0	111.4	E15 F19 L20 V21 H197 I200 G201 C204	E15-D17 PolarHBondContact O-N 2.64Å; E15-D17 VanDerWaalsContact O-N 3.14Å; D17-F19 VanDerWaalsContact C-N 3.33Å; D17-L20 WeakPolarHBondContact O-CB 3.32Å; D17-L20 PolarHBondContact O-N 2.93Å; D17-V21 WeakPolarHBondContact O-CG2 3.46Å; D17-V21 PolarHBondContact O-N 3.12Å; D17-V21 VanDerWaalsContact O-N 3.16Å; D17-H197 IonicContact OD1-CG 2.69Å; D17-H197 IonicContact OD1-ND1 2.9Å; D17-H197 PolarHBondContact OD1-ND1 3.03Å; D17-H197 IonicContact OD2-CE1 3.99Å; D17-H197 IonicContact OD2-CG 3.8Å; D17-H197 IonicContact OD2-ND1 3.13Å; D17-H197 PolarHBondContact OD2-ND1 2.92Å; D17-I200 WeakPolarHBondContact OD2-CA 3.36Å; D17-G201 PolarHBondContact OD2-N 3.3Å; D17-C204 HydrophobicContact CB-CB 3.94Å
18	A	98.2	Very high	96.3	Very high	0 Å²	0	26.3 Å²	26.3	0%	0	14%	0.143	C	C	.	.	H	α-helix	trans	-65.2	-39.4	175.2	0	0	0	0	0	111	L14 E15 L20 V21 C22 I75 V78	L14-A18 HydrophobicContact CD1-CB 3.68Å; E15-A18 WeakPolarHBondContact O-CB 3.49Å; E15-A18 PolarHBondContact O-N 3.16Å; A18-L20 VanDerWaalsContact C-N 3.34Å; A18-L20 PolarHBondContact O-N 3.23Å; A18-V21 PolarHBondContact O-N 2.79Å; A18-C22 PolarHBondContact O-N 3.38Å; A18-C22 PolarHBondContact O-SG 3.01Å; A18-C22 VanDerWaalsContact O-SG 3.39Å; A18-I75 HydrophobicContact CB-CG2 4.37Å; A18-V78 HydrophobicContact CB-CG1 4.27Å
19	F	98.7	Very high	97.2	Very high	36 Å²	36	26.9 Å²	26.9	16%	0.158	15%	0.145	C	C	.	.	H	α-helix	trans	-58.8	-43.9	172.9	-180	-92.9	0	0	0	112.1	L14 E15 S16 D17 V21 C22 L23 F155 Y171 I194	L14-F19 HydrophobicContact CD2-CB 3.88Å; L14-F19 HydrophobicContact CD2-CD2 3.8Å; L14-F19 HydrophobicContact CD2-CG 4.35Å; L14-F19 HydrophobicContact CG-CB 4.11Å; E15-F19 PolarHBondContact O-N 2.97Å; S16-F19 WeakPolarHBondContact O-CB 3.46Å; S16-F19 PolarHBondContact O-N 3.36Å; D17-F19 VanDerWaalsContact C-N 3.33Å; F19-V21 VanDerWaalsContact C-N 3.34Å; F19-V21 PolarHBondContact O-N 3.36Å; F19-C22 PolarHBondContact O-N 3.24Å; F19-L23 HydrophobicContact CE1-CB 4.46Å; F19-L23 HydrophobicContact CE1-CD2 3.85Å; F19-L23 HydrophobicContact CZ-CD2 4.31Å; F19-L23 VanDerWaalsContact O-CB 3.29Å; F19-L23 WeakPolarHBondContact O-CB 3.5Å; F19-L23 PolarHBondContact O-N 3.44Å; F19-F155 AromaticContact CD2-CE1 3.95Å; F19-F155 HydrophobicContact CD2-CE1 3.95Å; F19-F155 HydrophobicContact CD2-CZ 4.27Å; F19-F155 AromaticContact CE2-CE1 3.67Å; F19-F155 HydrophobicContact CE2-CE1 3.67Å; F19-F155 HydrophobicContact CE2-CZ 4.38Å; F19-F155 HydrophobicContact CZ-CE1 4.43Å; F19-Y171 AromaticContact CE2-CD1 3.77Å; F19-Y171 HydrophobicContact CE2-CD1 3.77Å; F19-Y171 HydrophobicContact CE2-CD2 4.48Å; F19-Y171 AromaticContact CE2-CE1 3.85Å; F19-Y171 HydrophobicContact CE2-CE1 3.85Å; F19-Y171 HydrophobicContact CE2-CG 4.11Å; F19-Y171 HydrophobicContact CZ-CD1 4.09Å; F19-Y171 HydrophobicContact CZ-CE1 4.01Å; F19-I194 HydrophobicContact CD1-CD1 4.33Å; F19-I194 HydrophobicContact CD2-CD1 3.77Å; F19-I194 HydrophobicContact CD2-CG1 4.36Å; F19-I194 HydrophobicContact CE1-CD1 4.33Å; F19-I194 HydrophobicContact CE2-CD1 3.76Å; F19-I194 HydrophobicContact CG-CD1 4.06Å; F19-I194 HydrophobicContact CZ-CD1 4.06Å
20	L	98.4	Very high	97.4	Very high	50 Å²	50	31.2 Å²	31.2	26%	0.262	16%	0.164	S	C	.	.	H	α-helix	trans	-58.4	-45.1	176.3	175.1	65.5	0	0	0	111.5	S16 D17 A18 L23 N24 I200 W262	S16-L20 WeakPolarHBondContact O-CB 3.39Å; S16-L20 PolarHBondContact O-N 3.24Å; D17-L20 WeakPolarHBondContact O-CB 3.32Å; D17-L20 PolarHBondContact O-N 2.93Å; A18-L20 VanDerWaalsContact C-N 3.34Å; A18-L20 PolarHBondContact O-N 3.23Å; L20-L23 PolarHBondContact O-N 2.89Å; L20-N24 WeakPolarHBondContact O-CB 3.47Å; L20-N24 VanDerWaalsContact O-CG 3.22Å; L20-N24 PolarHBondContact O-N 3.49Å; L20-N24 PolarHBondContact O-ND2 3.01Å; L20-I200 HydrophobicContact CD2-CD1 3.57Å; L20-I200 HydrophobicContact CD2-CG1 4.32Å; L20-W262 HydrophobicContact CD2-CH2 4.25Å; L20-W262 HydrophobicContact CD2-CZ2 4.06Å
21	V	98.4	Very high	97.4	Very high	4 Å²	4	36.6 Å²	36.6	2%	0.024	19%	0.186	C	C	.	.	H	α-helix	trans	-64	-47.7	178.1	-178.5	0	0	0	0	111.2	D17 A18 F19 L23 N24 H25 V78 I80 C204 A208	D17-V21 WeakPolarHBondContact O-CG2 3.46Å; D17-V21 PolarHBondContact O-N 3.12Å; D17-V21 VanDerWaalsContact O-N 3.16Å; A18-V21 PolarHBondContact O-N 2.79Å; F19-V21 VanDerWaalsContact C-N 3.34Å; F19-V21 PolarHBondContact O-N 3.36Å; V21-L23 VanDerWaalsContact C-N 3.33Å; V21-L23 PolarHBondContact O-N 3.39Å; V21-N24 PolarHBondContact O-N 2.89Å; V21-H25 WeakPolarHBondContact O-CB 3.45Å; V21-H25 PolarHBondContact O-N 2.82Å; V21-V78 HydrophobicContact CB-CG2 3.67Å; V21-V78 HydrophobicContact CG1-CG2 3.42Å; V21-V78 VanDerWaalsContact CG1-CG2 3.42Å; V21-I80 HydrophobicContact CG1-CD1 4.14Å; V21-I80 HydrophobicContact CG1-CG1 4.37Å; V21-C204 HydrophobicContact CG2-CB 4Å; V21-C204 WeakPolarHBondContact CG2-O 3.39Å; V21-A208 HydrophobicContact CG2-CB 4.23Å
22	C	98.4	Very high	97.2	Very high	1 Å²	1	39 Å²	39	1%	0.007	20%	0.196	C	C	.	.	H	α-helix	trans	-57.5	-46	176.5	-72.5	0	0	0	0	112.1	A18 F19 H25 A26 V78 Y122 F155	A18-C22 PolarHBondContact O-N 3.38Å; A18-C22 PolarHBondContact O-SG 3.01Å; A18-C22 VanDerWaalsContact O-SG 3.39Å; F19-C22 PolarHBondContact O-N 3.24Å; C22-H25 PolarHBondContact O-N 3Å; C22-A26 WeakPolarHBondContact O-CB 3.38Å; C22-A26 PolarHBondContact O-N 3.23Å; C22-V78 VanDerWaalsContact SG-CG1 3.57Å; C22-Y122 HydrophobicContact CB-CD2 4.42Å; C22-Y122 HydrophobicContact CB-CE2 4.29Å; C22-F155 HydrophobicContact CB-CE1 4.15Å; C22-F155 HydrophobicContact CB-CE2 3.74Å; C22-F155 HydrophobicContact CB-CZ 3.53Å
23	L	98.4	Very high	97	Very high	35 Å²	35	39.6 Å²	39.6	18%	0.183	20%	0.199	C	C	.	.	H	α-helix	trans	-67.5	-44.5	-177.2	-179.1	58.9	0	0	0	111.5	F19 L20 V21 H25 A26 L27 V169	F19-L23 HydrophobicContact CE1-CB 4.46Å; F19-L23 HydrophobicContact CE1-CD2 3.85Å; F19-L23 HydrophobicContact CZ-CD2 4.31Å; F19-L23 VanDerWaalsContact O-CB 3.29Å; F19-L23 WeakPolarHBondContact O-CB 3.5Å; F19-L23 PolarHBondContact O-N 3.44Å; L20-L23 PolarHBondContact O-N 2.89Å; V21-L23 VanDerWaalsContact C-N 3.33Å; V21-L23 PolarHBondContact O-N 3.39Å; L23-H25 VanDerWaalsContact C-N 3.26Å; L23-H25 PolarHBondContact O-N 2.84Å; L23-A26 PolarHBondContact O-N 3.18Å; L23-L27 HydrophobicContact CD1-CD1 3.86Å; L23-L27 HydrophobicContact CD1-CG 4.06Å; L23-L27 HydrophobicContact CG-CD1 3.93Å; L23-L27 HydrophobicContact CG-CG 4.5Å; L23-L27 WeakPolarHBondContact O-CB 3.35Å; L23-L27 WeakPolarHBondContact O-CG 3.39Å; L23-L27 PolarHBondContact O-N 2.96Å; L23-V169 HydrophobicContact CD1-CG1 3.74Å
24	N	98.1	Very high	96.9	Very high	67 Å²	67	38 Å²	38	36%	0.358	19%	0.192	S	C	.	.	H	α-helix	trans	-60	-40	175.2	-74.3	-15.8	0	0	0	111.4	L20 V21 S28	L20-N24 WeakPolarHBondContact O-CB 3.47Å; L20-N24 VanDerWaalsContact O-CG 3.22Å; L20-N24 PolarHBondContact O-N 3.49Å; L20-N24 PolarHBondContact O-ND2 3.01Å; V21-N24 PolarHBondContact O-N 2.89Å; N24-S28 PolarHBondContact O-N 3.29Å
25	H	98.2	Very high	96.7	Very high	9 Å²	9	38.1 Å²	38.1	4%	0.042	19%	0.193	C	C	.	.	H	α-helix	trans	-66.7	-45.7	175.1	-175.1	-154.1	0	0	0	112	V21 C22 L23 L27 S28 V34 M35 I80 Y122	V21-H25 WeakPolarHBondContact O-CB 3.45Å; V21-H25 PolarHBondContact O-N 2.82Å; C22-H25 PolarHBondContact O-N 3Å; L23-H25 VanDerWaalsContact C-N 3.26Å; L23-H25 PolarHBondContact O-N 2.84Å; H25-L27 PolarHBondContact O-N 2.9Å; H25-S28 VanDerWaalsContact O-CB 3.23Å; H25-S28 WeakPolarHBondContact O-CB 3.25Å; H25-S28 PolarHBondContact O-N 3.04Å; H25-S28 PolarHBondContact O-OG 2.87Å; H25-V34 WeakPolarHBondContact NE2-CB 3.39Å; H25-M35 PolarHBondContact CE1-O 2.78Å; H25-M35 VanDerWaalsContact CE1-O 3.3Å; H25-I80 HydrophobicContact CB-CD1 4.26Å; H25-Y122 AromaticContact ND1-CE2 3.69Å; H25-Y122 AromaticContact ND1-CZ 3.66Å; H25-Y122 PolarHBondContact ND1-OH 3.38Å
26	A	97.8	Very high	96.7	Very high	1 Å²	1	36.2 Å²	36.2	1%	0.008	18%	0.184	C	C	.	.	H	α-helix	trans	-62.3	-31.5	178.8	0	0	0	0	0	113.1	C22 L23 S28 F155	C22-A26 WeakPolarHBondContact O-CB 3.38Å; C22-A26 PolarHBondContact O-N 3.23Å; L23-A26 PolarHBondContact O-N 3.18Å; A26-S28 VanDerWaalsContact C-N 3.33Å; A26-F155 HydrophobicContact CB-CB 3.88Å; A26-F155 HydrophobicContact CB-CG 4.42Å
27	L	97.9	Very high	96.7	Very high	72 Å²	72	34.8 Å²	34.8	38%	0.377	17%	0.174	S	C	.	.	T	Hydrogen-bonded Turn	trans	-85	-0.5	176.2	-66.7	173.4	0	0	0	113.8	L23 H25 T29 C157 F158	L23-L27 HydrophobicContact CD1-CD1 3.86Å; L23-L27 HydrophobicContact CD1-CG 4.06Å; L23-L27 HydrophobicContact CG-CD1 3.93Å; L23-L27 HydrophobicContact CG-CG 4.5Å; L23-L27 WeakPolarHBondContact O-CB 3.35Å; L23-L27 WeakPolarHBondContact O-CG 3.39Å; L23-L27 PolarHBondContact O-N 2.96Å; H25-L27 PolarHBondContact O-N 2.9Å; L27-T29 VanDerWaalsContact C-N 3.28Å; L27-T29 PolarHBondContact O-N 2.92Å; L27-C157 HydrophobicContact CD2-CB 4.05Å; L27-F158 HydrophobicContact CB-CZ 4.46Å; L27-F158 HydrophobicContact CD2-CE1 4.21Å; L27-F158 HydrophobicContact CD2-CE2 4.37Å; L27-F158 HydrophobicContact CD2-CZ 4Å
28	S	96.6	Very high	96.8	Very high	42 Å²	42	34.3 Å²	34.3	29%	0.294	17%	0.171	S	C	.	.	T	Hydrogen-bonded Turn	trans	-71.3	-22	-179	69	0	0	0	0	113.7	N24 H25 A26	N24-S28 PolarHBondContact O-N 3.29Å; H25-S28 VanDerWaalsContact O-CB 3.23Å; H25-S28 WeakPolarHBondContact O-CB 3.25Å; H25-S28 PolarHBondContact O-N 3.04Å; H25-S28 PolarHBondContact O-OG 2.87Å; A26-S28 VanDerWaalsContact C-N 3.33Å
29	T	94.9	Very high	96.7	Very high	29 Å²	29	34.3 Å²	34.3	18%	0.178	17%	0.171	C	C	.	.			trans	-154.6	140.7	-179.7	178.6	0	0	0	0	111.7	L27 K31 E32 V34 F158	L27-T29 VanDerWaalsContact C-N 3.28Å; L27-T29 PolarHBondContact O-N 2.92Å; T29-K31 PolarHBondContact OG1-N 3Å; T29-K31 VanDerWaalsContact OG1-N 3.15Å; T29-E32 HydrophobicContact CG2-CG 3.87Å; T29-E32 WeakPolarHBondContact CG2-O 3.4Å; T29-V34 HydrophobicContact CG2-CG1 3.45Å; T29-V34 VanDerWaalsContact CG2-CG1 3.45Å; T29-F158 VanDerWaalsContact O-CE2 3.29Å; T29-F158 WeakPolarHBondContact O-CE2 3.27Å
30	E	95.3	Very high	96.7	Very high	101 Å²	101	32.6 Å²	32.6	47%	0.472	16%	0.164	S	C	.	.	S	Bend	trans	-98.9	-6.2	171.3	64.1	-178.5	-156.3	0	0	112.6	P126 F158	E30-P126 WeakPolarHBondContact O-CB 3.21Å; E30-F158 HydrophobicContact CB-CD1 4.3Å; E30-F158 HydrophobicContact CB-CD2 3.84Å; E30-F158 HydrophobicContact CB-CE1 4.38Å; E30-F158 HydrophobicContact CB-CE2 3.94Å; E30-F158 HydrophobicContact CB-CG 4.04Å; E30-F158 HydrophobicContact CB-CZ 4.19Å
31	K	92.6	Very high	96.5	Very high	186 Å²	186	30.9 Å²	30.9	81%	0.809	16%	0.155	S	C	*	.	S	Bend	trans	-94.1	-25.6	-170.2	-66.2	-177.9	-179.8	173.2	0	113.9	T29	T29-K31 PolarHBondContact OG1-N 3Å; T29-K31 VanDerWaalsContact OG1-N 3.15Å
32	E	91.8	Very high	96.2	Very high	61 Å²	61	32.5 Å²	32.5	29%	0.285	16%	0.163	S	C	.	.	S	Bend	trans	-142.5	152	-177.3	61.4	-174.2	179.9	0	0	110.5	T29 K86	T29-E32 HydrophobicContact CG2-CG 3.87Å; T29-E32 WeakPolarHBondContact CG2-O 3.4Å; E32-K86 IonicContact OE1-NZ 3.52Å; E32-K86 PolarHBondContact OE1-NZ 2.95Å; E32-K86 WeakPolarHBondContact OE2-CD 3.34Å; E32-K86 IonicContact OE2-NZ 3.73Å; E32-K86 PolarHBondContact OE2-NZ 2.89Å
33	E	94	Very high	95.6	Very high	13 Å²	13	34.2 Å²	34.2	6%	0.061	17%	0.172	C	C	.	.			trans	-71.7	130.8	172.1	-57.5	155.5	-159.1	0	0	108.5	R83 D89 V91 S124	E33-R83 WeakPolarHBondContact O-CD 3.29Å; E33-R83 PolarHBondContact O-NH1 3.33Å; E33-R83 IonicContact OE2-NH1 2.73Å; E33-D89 PolarHBondContact OE1-N 3.09Å; E33-V91 HydrophobicContact CB-CG2 4.44Å; E33-V91 WeakPolarHBondContact OE2-CG2 3.41Å; E33-S124 VanDerWaalsContact CB-O 3.31Å; E33-S124 WeakPolarHBondContact CB-O 3.4Å; E33-S124 VanDerWaalsContact CG-O 3.28Å; E33-S124 WeakPolarHBondContact CG-O 3.22Å
34	V	95.1	Very high	94.2	Very high	12 Å²	12	36.1 Å²	36.1	7%	0.073	18%	0.182	C	C	.	.			trans	-98.8	162.2	172.3	-58.4	0	0	0	0	110.7	H25 T29 H123 S124	H25-V34 WeakPolarHBondContact NE2-CB 3.39Å; T29-V34 HydrophobicContact CG2-CG1 3.45Å; T29-V34 VanDerWaalsContact CG2-CG1 3.45Å; V34-H123 CarbonylContact O-C 3.54Å; V34-H123 WeakPolarHBondContact O-CA 3.38Å; V34-H123 WeakPolarHBondContact O-CB 3.48Å; V34-S124 WeakPolarHBondContact CG2-OG 3.44Å; V34-S124 PolarHBondContact N-OG 2.83Å; V34-S124 PolarHBondContact O-N 3.12Å
35	M	95.4	Very high	92.1	Very high	2 Å²	2	36.9 Å²	36.9	1%	0.01	19%	0.186	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-148.7	156.9	-177.9	68.3	-175.6	-70.1	0	0	113.7	H25 L81 R83 V91 I93 Y122 H123	H25-M35 PolarHBondContact CE1-O 2.78Å; H25-M35 VanDerWaalsContact CE1-O 3.3Å; M35-L81 HydrophobicContact CE-CD1 4.4Å; M35-L81 HydrophobicContact CG-CB 4.31Å; M35-L81 PolarHBondContact O-N 2.88Å; M35-L81 VanDerWaalsContact O-N 3.16Å; M35-R83 HydrophobicContact CG-CG 3.64Å; M35-R83 HydrophobicContact SD-CG 3.27Å; M35-R83 WeakPolarHBondContact SD-CG 3.33Å; M35-V91 HydrophobicContact CB-CG1 3.7Å; M35-V91 HydrophobicContact CE-CG1 3.69Å; M35-V91 HydrophobicContact CG-CG1 4.23Å; M35-V91 HydrophobicContact SD-CG1 3.57Å; M35-V91 VanDerWaalsContact SD-CG1 3.57Å; M35-I93 HydrophobicContact CE-CB 4.12Å; M35-I93 HydrophobicContact CE-CD1 4.16Å; M35-I93 HydrophobicContact CE-CG1 3.13Å; M35-Y122 CarbonylContact C-O 3.55Å; M35-Y122 VanDerWaalsContact CA-O 3.25Å; M35-Y122 WeakPolarHBondContact CA-O 3.03Å; M35-H123 HydrophobicContact CB-CB 4.2Å
36	G	96.9	Very high	89.9	Confident	0 Å²	0	40.2 Å²	40.2	0%	0	21%	0.209	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-161.3	178.5	172.9	0	0	0	0	0	113	I79 W121 Y122	G36-I79 CarbonylContact C-O 3.51Å; G36-I79 WeakPolarHBondContact CA-O 3.37Å; G36-W121 WeakPolarHBondContact O-CA 3.36Å; G36-Y122 PolarHBondContact N-O 2.82Å; G36-Y122 PolarHBondContact O-N 3.28Å
37	L	98.1	Very high	87.4	Confident	0 Å²	0	44.4 Å²	44.4	0%	0	24%	0.238	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-109.5	150.9	178.3	-79.4	169.4	0	0	0	110.9	V78 I79 L81 I93 L98 A101 V118 G120 W121 F150	L37-V78 CarbonylContact O-C 3.5Å; L37-V78 VanDerWaalsContact O-CA 3.23Å; L37-V78 WeakPolarHBondContact O-CA 3.38Å; L37-V78 WeakPolarHBondContact O-CB 3.06Å; L37-I79 HydrophobicContact CB-CB 4.45Å; L37-I79 PolarHBondContact N-O 3.28Å; L37-I79 PolarHBondContact O-N 3.47Å; L37-L81 HydrophobicContact CD1-CD1 3.83Å; L37-L81 HydrophobicContact CG-CD1 3.78Å; L37-I93 HydrophobicContact CD1-CG2 4.25Å; L37-I93 HydrophobicContact CD2-CD1 3.5Å; L37-I93 VanDerWaalsContact CD2-CD1 3.5Å; L37-I93 HydrophobicContact CG-CD1 4.03Å; L37-L98 HydrophobicContact CD1-CD2 4.05Å; L37-L98 HydrophobicContact CD2-CD2 4.04Å; L37-A101 HydrophobicContact CD1-CB 3.32Å; L37-V118 HydrophobicContact CB-CG1 4.42Å; L37-V118 HydrophobicContact CD1-CG1 4.43Å; L37-V118 HydrophobicContact CD2-CG1 3.75Å; L37-V118 HydrophobicContact CG-CG1 4.44Å; L37-G120 WeakPolarHBondContact CD2-O 3.49Å; L37-W121 HydrophobicContact CD2-CB 4.07Å; L37-F150 HydrophobicContact CD2-CZ 4.17Å
38	C	98.3	Very high	85	Confident	0 Å²	0	49.5 Å²	49.5	0%	0	25%	0.252	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-106.5	129.2	177.7	-59.5	0	0	0	0	110	I75 V119 G120	C38-I75 HydrophobicContact CB-CD1 4.03Å; C38-I75 HydrophobicContact CB-CG1 4.29Å; C38-I75 HydrophobicContact CB-CG2 3.87Å; C38-V119 HydrophobicContact CB-CG2 4.32Å; C38-V119 PolarHBondContact O-N 3.03Å; C38-G120 PolarHBondContact N-O 2.7Å
39	I	98	Very high	82.3	Confident	0 Å²	0	52.2 Å²	52.2	0%	0	27%	0.271	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-106.4	133.8	174.7	-64.6	-174.8	0	0	0	109.1	H76 S77 I79 E104 A105 L108 M116 R117	I39-H76 PolarHBondContact O-N 2.69Å; I39-S77 PolarHBondContact N-O 3.25Å; I39-S77 PolarHBondContact O-N 3.29Å; I39-I79 HydrophobicContact CD1-CD1 3.44Å; I39-I79 VanDerWaalsContact CD1-CD1 3.44Å; I39-I79 HydrophobicContact CD1-CG1 3.82Å; I39-I79 HydrophobicContact CG1-CD1 4.26Å; I39-I79 HydrophobicContact CG1-CG1 4.41Å; I39-E104 HydrophobicContact CD1-CG 4.38Å; I39-A105 HydrophobicContact CD1-CB 4.02Å; I39-A105 HydrophobicContact CG1-CB 4.41Å; I39-A105 HydrophobicContact CG2-CB 4.23Å; I39-L108 HydrophobicContact CD1-CD1 3.82Å; I39-L108 HydrophobicContact CG2-CD1 4.18Å; I39-M116 HydrophobicContact CG2-CB 3.99Å; I39-M116 HydrophobicContact CG2-SD 4.4Å; I39-R117 WeakPolarHBondContact CA-O 3.12Å
40	G	96.9	Very high	79.6	Confident	0 Å²	0	58.4 Å²	58.4	0%	0	30%	0.303	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-176.2	-158.6	-177.1	0	0	0	0	0	113	H74 H76 R117	G40-H74 CarbonylContact C-O 3.55Å; G40-H74 WeakPolarHBondContact CA-O 3.29Å; G40-H76 WeakPolarHBondContact CA-ND1 3.4Å; G40-R117 PolarHBondContact N-O 3.03Å; G40-R117 PolarHBondContact O-N 2.88Å; G40-R117 VanDerWaalsContact O-O 3.09Å
41	E	95.1	Very high	76.9	Confident	14 Å²	14	59.2 Å²	59.2	7%	0.065	32%	0.32	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-134	153.5	177.1	70	-163.2	-174.8	0	0	110.6	H74 H76 R114 P115 M116	E41-H74 HydrophobicContact CG-CB 4.23Å; E41-H74 PolarHBondContact N-O 3.48Å; E41-H74 PolarHBondContact O-N 3.44Å; E41-H76 IonicContact OE1-CE1 2.67Å; E41-R114 IonicContact OE1-CZ 2.72Å; E41-R114 IonicContact OE1-NE 3.59Å; E41-R114 IonicContact OE1-NH2 3.41Å; E41-R114 PolarHBondContact OE1-NH2 3.1Å; E41-R114 IonicContact OE2-CZ 2.93Å; E41-R114 IonicContact OE2-NE 3.34Å; E41-R114 PolarHBondContact OE2-NE 2.86Å; E41-R114 IonicContact OE2-NH2 3.04Å; E41-P115 HydrophobicContact CB-CG 4.32Å; E41-P115 WeakPolarHBondContact OE2-CD 3.04Å; E41-M116 HydrophobicContact CB-CE 4.08Å; E41-M116 HydrophobicContact CG-CE 4.37Å; E41-M116 WeakPolarHBondContact OE2-CE 3.31Å
42	L	91.8	Very high	74.3	Confident	38 Å²	38	59.6 Å²	59.6	20%	0.199	32%	0.322	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-101.8	116.2	172	-177	72.4	0	0	0	107.6	V9 D44 R71 V73	V9-L42 HydrophobicContact CG2-CD1 4.42Å; L42-D44 WeakPolarHBondContact CD2-OD1 3.21Å; L42-D44 WeakPolarHBondContact CG-OD1 3.46Å; L42-R71 HydrophobicContact CD1-CB 4.33Å; L42-V73 HydrophobicContact CD1-CG2 3.5Å
43	N	86	Confident	71.7	Confident	36 Å²	36	66.7 Å²	66.7	19%	0.193	35%	0.352	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-94.5	109.9	173.5	-77.3	-31.7	0	0	0	108.7	R71 I72 H74	N43-R71 WeakPolarHBondContact O-CA 3.33Å; N43-I72 PolarHBondContact N-O 3.01Å; N43-I72 PolarHBondContact O-N 3.4Å; N43-H74 PolarHBondContact ND2-CD2 3.04Å; N43-H74 PolarHBondContact ND2-NE2 3.2Å
44	D	69.4	Low	68.7	Low	76 Å²	76	70.4 Å²	70.4	41%	0.406	39%	0.385	S	S	.	.			trans	-98.5	13.8	177.8	-72.5	-27.5	0	0	0	112.2	L42 A69 R71	L42-D44 WeakPolarHBondContact CD2-OD1 3.21Å; L42-D44 WeakPolarHBondContact CG-OD1 3.46Å; D44-A69 WeakPolarHBondContact O-CB 3.14Å; D44-R71 WeakPolarHBondContact OD1-CD 3.44Å; D44-R71 VanDerWaalsContact OD1-CG 3.25Å; D44-R71 WeakPolarHBondContact OD1-CG 3.42Å
45	D	54.9	Low	65.5	Low	82 Å²	82	80.6 Å²	80.6	44%	0.439	42%	0.423	S	S	.	.			trans	-123.6	114.5	-165.6	-156.7	-20.3	0	0	0	113.9	S47 R48	D45-S47 PolarHBondContact O-N 3.28Å; D45-S47 WeakPolarHBondContact OD1-CB 3.34Å; D45-S47 PolarHBondContact OD1-N 3.27Å; D45-S47 PolarHBondContact OD1-OG 3.16Å; D45-S47 PolarHBondContact OD2-OG 2.95Å; D45-S47 VanDerWaalsContact OD2-OG 3.14Å; D45-R48 HydrophobicContact CB-CB 4.2Å
46	P	50.6	Low	62.7	Low	79 Å²	79	87 Å²	87	51%	0.513	46%	0.463	S	S	.	.	T	Hydrogen-bonded Turn	trans	-68.3	-8.4	172	26.5	-31.6	0	0	0	113.7
47	S	45.9	Very low	59.6	Low	90 Å²	90	90.5 Å²	90.5	63%	0.629	50%	0.5	S	S	*	.	T	Hydrogen-bonded Turn	trans	-97.1	-5	-178.8	72.2	0	0	0	0	114.8	D45	D45-S47 PolarHBondContact O-N 3.28Å; D45-S47 WeakPolarHBondContact OD1-CB 3.34Å; D45-S47 PolarHBondContact OD1-N 3.27Å; D45-S47 PolarHBondContact OD1-OG 3.16Å; D45-S47 PolarHBondContact OD2-OG 2.95Å; D45-S47 VanDerWaalsContact OD2-OG 3.14Å
48	R	46.4	Very low	56.7	Low	178 Å²	178	97.2 Å²	97.2	67%	0.672	54%	0.54	S	S	*	.			trans	-101.4	25.3	-174.5	-139.7	-178.8	-172.6	-164.2	2.4	113.9	D45 D50	D45-R48 HydrophobicContact CB-CB 4.2Å; R48-D50 PolarHBondContact O-N 2.66Å
49	S	39.9	Very low	53.7	Low	99 Å²	99	106.5 Å²	106.5	69%	0.692	58%	0.584	S	S	*	*	S	Bend	trans	-69	110.5	163	63.7	0	0	0	0	108.5	S51	S49-S51 PolarHBondContact O-N 3.49Å
50	D	40	Very low	50.5	Low	160 Å²	160	114.3 Å²	114.3	86%	0.856	62%	0.622	S	S	*	*			trans	10	81.1	167	-67.8	-37.9	0	0	0	116.2	R48 K52	R48-D50 PolarHBondContact O-N 2.66Å; D50-K52 PolarHBondContact O-N 3.1Å
51	S	37.7	Very low	47.5	Very low	118 Å²	118	124.6 Å²	124.6	83%	0.825	66%	0.661	S	S	*	*			trans	-73.8	74.2	166.7	62.9	0	0	0	0	109.5	S49	S49-S51 PolarHBondContact O-N 3.49Å
52	K	37.8	Very low	44.5	Very low	193 Å²	193	130.1 Å²	130.1	84%	0.839	70%	0.696	S	S	*	*			trans	-118.6	22.6	161.5	-108.8	-170	-173.5	-179.2	0	112.2	D50	D50-K52 PolarHBondContact O-N 3.1Å
53	F	37	Very low	41.6	Very low	211 Å²	211	134.4 Å²	134.4	93%	0.925	72%	0.723	S	S	*	*	S	Bend	trans	-151.2	144.2	164.4	-96	-86.1	0	0	0	111.2
54	A	31	Very low	39.2	Very low	90 Å²	90	137.5 Å²	137.5	74%	0.744	75%	0.754	S	S	*	*			trans	99.1	95.3	164.2	0	0	0	0	0	119.4
55	Y	29.4	Very low	37.6	Very low	226 Å²	226	141.6 Å²	141.6	89%	0.886	77%	0.771	S	S	*	*				57.7	130.8	115.5	-94.1	-95	0	0	0	122.1
56	T	36.5	Very low	36.8	Very low	136 Å²	136	147.2 Å²	147.2	83%	0.834	79%	0.791	S	S	*	*			trans	-54.7	130	164	51.8	0	0	0	0	112.7
57	G	30.6	Very low	36.4	Very low	75 Å²	75	148.3 Å²	148.3	77%	0.773	80%	0.796	S	S	*	*			trans	-178.6	107.3	169.6	0	0	0	0	0	112.4
58	T	37.3	Very low	36.5	Very low	140 Å²	140	149.6 Å²	149.6	86%	0.859	80%	0.796	S	S	*	*			trans	-66	131.5	171.9	-41.8	0	0	0	0	110.3
59	E	34.7	Very low	37.1	Very low	195 Å²	195	142.7 Å²	142.7	91%	0.911	78%	0.777	S	S	*	*				173	159.4	129.1	-95.2	-178.4	-179.1	0	0	113.3
60	M	31.9	Very low	38.9	Very low	164 Å²	164	141.3 Å²	141.3	81%	0.808	76%	0.764	S	S	*	*			trans	-103.4	151.6	-157.4	-138.8	-171.5	-143.9	0	0	112.5
61	R	34.5	Very low	41.2	Very low	216 Å²	216	136.4 Å²	136.4	82%	0.815	73%	0.734	S	S	*	*			trans	76.5	125.7	157.4	-64.4	177.2	165.2	174.6	-4.4	117.9
62	T	31.3	Very low	43.9	Very low	131 Å²	131	132.5 Å²	132.5	80%	0.804	70%	0.703	S	S	*	*				180	147.3	92.8	34.7	0	0	0	0	112
63	V	30.6	Very low	46.7	Very low	127 Å²	127	123.3 Å²	123.3	77%	0.77	66%	0.663	S	S	*	*			trans	44.2	99.9	162.3	-166.1	0	0	0	0	116.6	E65	V63-E65 VanDerWaalsContact C-N 3.25Å; V63-E65 PolarHBondContact O-N 3.09Å
64	A	35.7	Very low	49.6	Very low	101 Å²	101	115.2 Å²	115.2	84%	0.835	63%	0.629	S	S	*	*			trans	-68.5	85	165.4	0	0	0	0	0	109.7	K66	A64-K66 PolarHBondContact O-N 3.45Å
65	E	35.5	Very low	52.8	Low	163 Å²	163	111 Å²	111	76%	0.762	59%	0.593	S	S	*	*			trans	-55	119	149.4	-75.9	-177.3	155.9	0	0	106	V63 V67	V63-E65 VanDerWaalsContact C-N 3.25Å; V63-E65 PolarHBondContact O-N 3.09Å; E65-V67 PolarHBondContact O-N 2.75Å
66	K	38.1	Very low	56	Low	199 Å²	199	100.9 Å²	100.9	87%	0.865	55%	0.554	S	S	*	*			trans	-64.6	83.8	165.3	-81.8	-176.2	173.7	-176.3	0	106.5	A64 D68	A64-K66 PolarHBondContact O-N 3.45Å; K66-D68 PolarHBondContact O-N 3.02Å; K66-D68 VanDerWaalsContact O-N 3.13Å
67	V	43.1	Very low	58.9	Low	102 Å²	102	94.7 Å²	94.7	62%	0.618	52%	0.516	S	S	*	.			trans	-59.6	114.4	159.7	-178.4	0	0	0	0	104.1	E65 A69	E65-V67 PolarHBondContact O-N 2.75Å; V67-A69 PolarHBondContact O-N 3.31Å
68	D	48.4	Very low	62.1	Low	117 Å²	117	91.1 Å²	91.1	63%	0.626	48%	0.48	S	S	*	.			trans	-51.8	113.1	175.8	-85.1	-41.3	0	0	0	107.7	Q7 K66 V70	Q7-D68 PolarHBondContact NE2-OD1 3.1Å; Q7-D68 VanDerWaalsContact NE2-OD1 3.1Å; K66-D68 PolarHBondContact O-N 3.02Å; K66-D68 VanDerWaalsContact O-N 3.13Å; D68-V70 PolarHBondContact O-N 2.83Å; D68-V70 VanDerWaalsContact O-N 3.08Å
69	A	59	Low	65	Low	33 Å²	33	86.1 Å²	86.1	27%	0.273	45%	0.447	S	S	.	.			trans	-58.7	116.8	-179.5	0	0	0	0	0	107.9	D44 V67 R71	D44-A69 WeakPolarHBondContact O-CB 3.14Å; V67-A69 PolarHBondContact O-N 3.31Å; A69-R71 PolarHBondContact O-N 3.15Å; A69-R71 VanDerWaalsContact O-N 3.16Å
70	V	76.4	Confident	67.9	Low	70 Å²	70	77.4 Å²	77.4	42%	0.424	41%	0.407	S	S	.	.			trans	-69.3	112.6	179.5	-175.7	0	0	0	0	107.1	Q10 D68 I72	Q10-V70 HydrophobicContact CB-CG1 3.83Å; Q10-V70 HydrophobicContact CG-CG1 4.23Å; D68-V70 PolarHBondContact O-N 2.83Å; D68-V70 VanDerWaalsContact O-N 3.08Å; V70-I72 HydrophobicContact CG1-CD1 4.03Å; V70-I72 HydrophobicContact CG1-CG1 3.77Å; V70-I72 PolarHBondContact O-N 3.29Å
71	R	88.6	Confident	70.9	Confident	58 Å²	58	70.5 Å²	70.5	22%	0.219	37%	0.373	C	S	.	.			trans	-85.5	110.8	178.2	-50.4	-169.9	-161.2	-157.1	-0.3	109.1	Q7 Q10 L42 N43 D44 A69	Q7-R71 VanDerWaalsContact CB-CZ 3.48Å; Q10-R71 PolarHBondContact N-O 3.08Å; Q10-R71 PolarHBondContact OE1-O 2.86Å; L42-R71 HydrophobicContact CD1-CB 4.33Å; N43-R71 WeakPolarHBondContact O-CA 3.33Å; D44-R71 WeakPolarHBondContact OD1-CD 3.44Å; D44-R71 VanDerWaalsContact OD1-CG 3.25Å; D44-R71 WeakPolarHBondContact OD1-CG 3.42Å; A69-R71 PolarHBondContact O-N 3.15Å; A69-R71 VanDerWaalsContact O-N 3.16Å
72	I	94.2	Very high	73.4	Confident	35 Å²	35	63.5 Å²	63.5	18%	0.179	35%	0.347	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-114.9	124.5	178.3	-54	-177.1	0	0	0	108.5	A11 H13 N43 V70	A11-I72 HydrophobicContact CB-CG1 4.42Å; A11-I72 HydrophobicContact CB-CG2 4.42Å; A11-I72 WeakPolarHBondContact O-CA 3.43Å; H13-I72 HydrophobicContact CB-CG2 4.35Å; N43-I72 PolarHBondContact N-O 3.01Å; N43-I72 PolarHBondContact O-N 3.4Å; V70-I72 HydrophobicContact CG1-CD1 4.03Å; V70-I72 HydrophobicContact CG1-CG1 3.77Å; V70-I72 PolarHBondContact O-N 3.29Å
73	V	96.7	Very high	75.8	Confident	0 Å²	0	58.2 Å²	58.2	0%	0	31%	0.312	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-86.5	121.6	170.5	176.4	0	0	0	0	108.1	V9 A11 V12 H13 L42 I75 V119 V151	V9-V73 HydrophobicContact CG1-CB 4.46Å; V9-V73 HydrophobicContact CG1-CG2 3.78Å; V9-V73 HydrophobicContact CG2-CG2 3.9Å; A11-V73 PolarHBondContact O-N 3.14Å; V12-V73 CarbonylContact C-O 3.54Å; V12-V73 WeakPolarHBondContact CA-O 3.25Å; V12-V73 HydrophobicContact CG2-CB 4.25Å; H13-V73 PolarHBondContact N-O 3.14Å; L42-V73 HydrophobicContact CD1-CG2 3.5Å; V73-I75 HydrophobicContact CG1-CG1 4Å; V73-V119 HydrophobicContact CG1-CB 3.8Å; V73-V119 HydrophobicContact CG1-CG1 4.45Å; V73-V119 HydrophobicContact CG1-CG2 3.73Å; V73-V151 HydrophobicContact CG1-CG2 4.31Å; V73-V151 HydrophobicContact CG2-CG1 4.19Å
74	H	97.5	Very high	77.9	Confident	42 Å²	42	57.2 Å²	57.2	19%	0.194	31%	0.31	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-102.6	119.6	171.5	-70.1	-108.8	0	0	0	108.9	H13 G40 E41 N43 H76	H13-H74 AromaticContact ND1-CE1 3.28Å; H13-H74 PolarHBondContact ND1-CE1 2.91Å; H13-H74 VanDerWaalsContact ND1-CE1 3.28Å; H13-H74 AromaticContact ND1-ND1 3.8Å; H13-H74 AromaticContact ND1-NE2 3.78Å; H13-H74 CarbonylContact O-C 3.56Å; H13-H74 WeakPolarHBondContact O-CA 3.42Å; G40-H74 CarbonylContact C-O 3.55Å; G40-H74 WeakPolarHBondContact CA-O 3.29Å; E41-H74 HydrophobicContact CG-CB 4.23Å; E41-H74 PolarHBondContact N-O 3.48Å; E41-H74 PolarHBondContact O-N 3.44Å; N43-H74 PolarHBondContact ND2-CD2 3.04Å; N43-H74 PolarHBondContact ND2-NE2 3.2Å; H74-H76 PolarHBondContact O-ND1 3.5Å
75	I	98.3	Very high	79.9	Confident	0 Å²	0	54 Å²	54	0%	0	28%	0.279	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-101.6	116.5	178.3	-57.7	173.4	0	0	0	108.7	V12 H13 L14 E15 A18 C38 V73 V78 V119 L153	V12-I75 HydrophobicContact CG1-CD1 3.66Å; V12-I75 HydrophobicContact CG1-CG1 4.16Å; H13-I75 PolarHBondContact O-N 3Å; L14-I75 HydrophobicContact CD1-CB 3.69Å; L14-I75 HydrophobicContact CD1-CD1 4.25Å; L14-I75 HydrophobicContact CD1-CG2 3.57Å; E15-I75 PolarHBondContact N-O 3.46Å; A18-I75 HydrophobicContact CB-CG2 4.37Å; C38-I75 HydrophobicContact CB-CD1 4.03Å; C38-I75 HydrophobicContact CB-CG1 4.29Å; C38-I75 HydrophobicContact CB-CG2 3.87Å; V73-I75 HydrophobicContact CG1-CG1 4Å; I75-V78 HydrophobicContact CG2-CG1 4.4Å; I75-V119 HydrophobicContact CG1-CG2 4.05Å; I75-L153 HydrophobicContact CD1-CD1 3.94Å; I75-L153 HydrophobicContact CD1-CD2 4.38Å
76	H	97.4	Very high	82	Confident	15 Å²	15	50.8 Å²	50.8	7%	0.069	26%	0.263	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-95.8	-37.5	-176.8	-62.8	89.8	0	0	0	112.9	E15 I39 G40 E41 H74 R114 M116 C204	E15-H76 VanDerWaalsContact CD-CD2 3.43Å; E15-H76 IonicContact OE1-CD2 3.62Å; E15-H76 PolarHBondContact OE1-CD2 3.41Å; E15-H76 IonicContact OE1-NE2 3.94Å; E15-H76 PolarHBondContact OE1-NE2 3.15Å; E15-H76 IonicContact OE2-CD2 3.7Å; I39-H76 PolarHBondContact O-N 2.69Å; G40-H76 WeakPolarHBondContact CA-ND1 3.4Å; E41-H76 IonicContact OE1-CE1 2.67Å; H74-H76 PolarHBondContact O-ND1 3.5Å; H76-R114 PolarHBondContact CD2-NH1 2.97Å; H76-R114 PolarHBondContact CE1-NH2 3.47Å; H76-R114 PolarHBondContact NE2-NH1 2.98Å; H76-R114 PolarHBondContact NE2-NH2 3.16Å; H76-M116 HydrophobicContact CB-SD 4.19Å; H76-M116 WeakPolarHBondContact ND1-CE 3.21Å; H76-C204 PolarHBondContact O-SG 2.72Å; H76-C204 VanDerWaalsContact O-SG 3.38Å
77	S	97.3	Very high	83.9	Confident	6 Å²	6	48.4 Å²	48.4	4%	0.042	25%	0.248	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-153.9	171.9	-175.7	61.8	0	0	0	0	110.9	I39	I39-S77 PolarHBondContact N-O 3.25Å; I39-S77 PolarHBondContact O-N 3.29Å
78	V	97.9	Very high	85.6	Confident	0 Å²	0	50.3 Å²	50.3	0%	0	25%	0.248	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-137.8	149.8	-178.2	-62.6	0	0	0	0	111.5	A18 V21 C22 L37 I75 Y122 S207	A18-V78 HydrophobicContact CB-CG1 4.27Å; V21-V78 HydrophobicContact CB-CG2 3.67Å; V21-V78 HydrophobicContact CG1-CG2 3.42Å; V21-V78 VanDerWaalsContact CG1-CG2 3.42Å; C22-V78 VanDerWaalsContact SG-CG1 3.57Å; L37-V78 CarbonylContact O-C 3.5Å; L37-V78 VanDerWaalsContact O-CA 3.23Å; L37-V78 WeakPolarHBondContact O-CA 3.38Å; L37-V78 WeakPolarHBondContact O-CB 3.06Å; I75-V78 HydrophobicContact CG2-CG1 4.4Å; V78-Y122 HydrophobicContact CB-CE1 4.05Å; V78-Y122 HydrophobicContact CG1-CE1 4.32Å; V78-Y122 HydrophobicContact CG2-CE1 4.47Å; V78-S207 WeakPolarHBondContact O-CB 3.36Å; V78-S207 PolarHBondContact O-OG 3.21Å
79	I	97.4	Very high	86.6	Confident	34 Å²	34	47.5 Å²	47.5	17%	0.174	23%	0.233	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-106.7	120.9	172.5	-63.8	178	0	0	0	108	G36 L37 I39 L81 A101 E104	G36-I79 CarbonylContact C-O 3.51Å; G36-I79 WeakPolarHBondContact CA-O 3.37Å; L37-I79 HydrophobicContact CB-CB 4.45Å; L37-I79 PolarHBondContact N-O 3.28Å; L37-I79 PolarHBondContact O-N 3.47Å; I39-I79 HydrophobicContact CD1-CD1 3.44Å; I39-I79 VanDerWaalsContact CD1-CD1 3.44Å; I39-I79 HydrophobicContact CD1-CG1 3.82Å; I39-I79 HydrophobicContact CG1-CD1 4.26Å; I39-I79 HydrophobicContact CG1-CG1 4.41Å; I79-L81 HydrophobicContact CG2-CD2 3.93Å; I79-A101 HydrophobicContact CD1-CB 3.83Å; I79-E104 HydrophobicContact CD1-CB 3.84Å; I79-E104 HydrophobicContact CD1-CG 3.78Å
80	I	96.5	Very high	87.5	Confident	12 Å²	12	50.1 Å²	50.1	6%	0.062	24%	0.236	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-73	125.9	171.5	-64.6	-178.9	0	0	0	108.2	V21 H25 S207 L211 I214	V21-I80 HydrophobicContact CG1-CD1 4.14Å; V21-I80 HydrophobicContact CG1-CG1 4.37Å; H25-I80 HydrophobicContact CB-CD1 4.26Å; I80-S207 WeakPolarHBondContact CD1-O 3.37Å; I80-L211 HydrophobicContact CD1-CB 3.86Å; I80-L211 HydrophobicContact CG2-CD1 4.12Å; I80-I214 HydrophobicContact CB-CD1 3.9Å; I80-I214 HydrophobicContact CG2-CD1 3.59Å; I80-I214 WeakPolarHBondContact O-CD1 3.42Å
81	L	93.4	Very high	87.5	Confident	20 Å²	20	46.9 Å²	46.9	11%	0.105	22%	0.217	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-109.1	145.1	178.7	-67.1	-178	0	0	0	111.3	M35 L37 I79 I93 Q97	M35-L81 HydrophobicContact CE-CD1 4.4Å; M35-L81 HydrophobicContact CG-CB 4.31Å; M35-L81 PolarHBondContact O-N 2.88Å; M35-L81 VanDerWaalsContact O-N 3.16Å; L37-L81 HydrophobicContact CD1-CD1 3.83Å; L37-L81 HydrophobicContact CG-CD1 3.78Å; I79-L81 HydrophobicContact CG2-CD2 3.93Å; L81-I93 HydrophobicContact CD1-CG1 4.25Å; L81-I93 HydrophobicContact CD1-CG2 3.83Å; L81-Q97 HydrophobicContact CD1-CB 4.33Å; L81-Q97 HydrophobicContact CD2-CB 4.28Å; L81-Q97 HydrophobicContact CD2-CG 4.45Å
82	R	88.6	Confident	87	Confident	68 Å²	68	48.6 Å²	48.6	26%	0.257	23%	0.227	S	C	.	.			trans	-76.7	135.1	166.8	-177.9	-177.2	173.5	-179.1	6.3	110.3	Q97 I214 E218 D221	R82-Q97 PolarHBondContact O-NE2 2.95Å; R82-I214 HydrophobicContact CB-CG2 3.94Å; R82-E218 IonicContact NE-OE2 3.74Å; R82-E218 PolarHBondContact NH2-O 3.47Å; R82-D221 IonicContact CZ-OD2 2.91Å; R82-D221 IonicContact NH1-OD2 3.75Å; R82-D221 PolarHBondContact NH1-OD2 2.93Å; R82-D221 IonicContact NH2-OD2 3.87Å
83	R	80.9	Confident	86.5	Confident	21 Å²	21	47.4 Å²	47.4	8%	0.079	22%	0.221	C	C	.	.			trans	-83.1	123.8	166.6	-84.5	-169.9	76.3	-160.5	1.2	111.7	E33 M35 D85 R87 R90	E33-R83 WeakPolarHBondContact O-CD 3.29Å; E33-R83 PolarHBondContact O-NH1 3.33Å; E33-R83 IonicContact OE2-NH1 2.73Å; M35-R83 HydrophobicContact CG-CG 3.64Å; M35-R83 HydrophobicContact SD-CG 3.27Å; M35-R83 WeakPolarHBondContact SD-CG 3.33Å; R83-D85 PolarHBondContact NE-O 2.87Å; R83-D85 PolarHBondContact NH2-O 3.14Å; R83-R87 PolarHBondContact NH2-O 3.02Å; R83-R90 VanDerWaalsContact NH2-C 3.32Å; R83-R90 PolarHBondContact NH2-O 2.91Å
84	S	75.1	Confident	86.1	Confident	105 Å²	105	48.9 Å²	48.9	73%	0.734	23%	0.231	S	C	*	.	S	Bend	trans	-83.1	-35.6	171.2	54.3	0	0	0	0	112.2
85	D	76.7	Confident	85.7	Confident	33 Å²	33	51.4 Å²	51.4	18%	0.176	25%	0.252	C	S	.	.			trans	-103.8	124.8	172.7	-165.4	-25.7	0	0	0	109.7	R83 R87 R90	R83-D85 PolarHBondContact NE-O 2.87Å; R83-D85 PolarHBondContact NH2-O 3.14Å; D85-R87 VanDerWaalsContact OD1-CB 3.27Å; D85-R87 WeakPolarHBondContact OD1-CB 3.41Å; D85-R87 VanDerWaalsContact OD1-CG 3.26Å; D85-R87 WeakPolarHBondContact OD1-CG 3.33Å; D85-R87 PolarHBondContact OD1-N 3.47Å; D85-R87 IonicContact OD1-NE 3.93Å; D85-R87 PolarHBondContact OD1-NE 3.44Å; D85-R87 VanDerWaalsContact OD1-NE 3.16Å; D85-R87 IonicContact OD2-CZ 3.76Å; D85-R87 VanDerWaalsContact OD2-CZ 3.29Å; D85-R87 IonicContact OD2-NE 3.38Å; D85-R87 PolarHBondContact OD2-NE 3.21Å; D85-R87 IonicContact OD2-NH2 3.28Å; D85-R87 PolarHBondContact OD2-NH2 3.29Å; D85-R90 VanDerWaalsContact OD2-CD 3.31Å; D85-R90 WeakPolarHBondContact OD2-CD 3.16Å; D85-R90 IonicContact OD2-CZ 3.47Å; D85-R90 IonicContact OD2-NE 3.75Å; D85-R90 IonicContact OD2-NH1 3.57Å; D85-R90 PolarHBondContact OD2-NH1 3.39Å
86	K	81.2	Confident	85.3	Confident	97 Å²	97	57.9 Å²	57.9	42%	0.422	28%	0.282	S	S	.	.			trans	-103.7	10.8	-179.2	-65.1	-178.2	172.7	-117.6	0	113.3	E32 E218	E32-K86 IonicContact OE1-NZ 3.52Å; E32-K86 PolarHBondContact OE1-NZ 2.95Å; E32-K86 WeakPolarHBondContact OE2-CD 3.34Å; E32-K86 IonicContact OE2-NZ 3.73Å; E32-K86 PolarHBondContact OE2-NZ 2.89Å; K86-E218 WeakPolarHBondContact CE-OE1 3.28Å; K86-E218 IonicContact NZ-OE1 3.49Å; K86-E218 PolarHBondContact NZ-OE1 2.69Å
87	R	78.1	Confident	85	Confident	149 Å²	149	58.8 Å²	58.8	56%	0.562	29%	0.286	S	S	*	.	S	Bend	trans	-67	147.1	175.3	-70.5	-178.6	-70.7	174.7	-6.9	110.6	R83 D85 R90	R83-R87 PolarHBondContact NH2-O 3.02Å; D85-R87 VanDerWaalsContact OD1-CB 3.27Å; D85-R87 WeakPolarHBondContact OD1-CB 3.41Å; D85-R87 VanDerWaalsContact OD1-CG 3.26Å; D85-R87 WeakPolarHBondContact OD1-CG 3.33Å; D85-R87 PolarHBondContact OD1-N 3.47Å; D85-R87 IonicContact OD1-NE 3.93Å; D85-R87 PolarHBondContact OD1-NE 3.44Å; D85-R87 VanDerWaalsContact OD1-NE 3.16Å; D85-R87 IonicContact OD2-CZ 3.76Å; D85-R87 VanDerWaalsContact OD2-CZ 3.29Å; D85-R87 IonicContact OD2-NE 3.38Å; D85-R87 PolarHBondContact OD2-NE 3.21Å; D85-R87 IonicContact OD2-NH2 3.28Å; D85-R87 PolarHBondContact OD2-NH2 3.29Å; R87-R90 HydrophobicContact CB-CB 4.29Å; R87-R90 PolarHBondContact O-N 3.4Å
88	K	76.9	Confident	84.7	Confident	141 Å²	141	59.8 Å²	59.8	61%	0.613	29%	0.291	S	S	*	.	T	Hydrogen-bonded Turn	trans	-60	142	176.6	-165.7	-173	172.4	-177.4	0	110.9	R90	K88-R90 PolarHBondContact O-N 2.98Å; K88-R90 VanDerWaalsContact O-N 3.1Å
89	D	71.1	Confident	84.5	Confident	59 Å²	59	63.3 Å²	63.3	32%	0.316	32%	0.315	S	S	.	.	T	Hydrogen-bonded Turn	trans	59.3	18.6	176.5	-48.6	-53	0	0	0	114.2	E33 V135	E33-D89 PolarHBondContact OE1-N 3.09Å; D89-V135 VanDerWaalsContact O-CG1 3.29Å; D89-V135 WeakPolarHBondContact O-CG1 3.5Å
90	R	76.9	Confident	84.4	Confident	88 Å²	88	64.6 Å²	64.6	33%	0.332	33%	0.331	S	S	.	.			trans	-119.7	68.4	-178.6	-165.5	167.6	-171	-113.6	-5.5	112.6	R83 D85 R87 K88 E92	R83-R90 VanDerWaalsContact NH2-C 3.32Å; R83-R90 PolarHBondContact NH2-O 2.91Å; D85-R90 VanDerWaalsContact OD2-CD 3.31Å; D85-R90 WeakPolarHBondContact OD2-CD 3.16Å; D85-R90 IonicContact OD2-CZ 3.47Å; D85-R90 IonicContact OD2-NE 3.75Å; D85-R90 IonicContact OD2-NH1 3.57Å; D85-R90 PolarHBondContact OD2-NH1 3.39Å; R87-R90 HydrophobicContact CB-CB 4.29Å; R87-R90 PolarHBondContact O-N 3.4Å; K88-R90 PolarHBondContact O-N 2.98Å; K88-R90 VanDerWaalsContact O-N 3.1Å; R90-E92 IonicContact CZ-OE1 2.67Å; R90-E92 IonicContact CZ-OE2 3.02Å; R90-E92 IonicContact NE-OE1 2.93Å; R90-E92 PolarHBondContact NE-OE1 2.82Å; R90-E92 VanDerWaalsContact NH2-CD 3.34Å; R90-E92 IonicContact NH2-OE1 3.73Å; R90-E92 PolarHBondContact NH2-OE1 2.78Å; R90-E92 IonicContact NH2-OE2 3.16Å; R90-E92 PolarHBondContact NH2-OE2 3.45Å
91	V	76.9	Confident	84.3	Confident	2 Å²	2	64 Å²	64	1%	0.012	33%	0.328	C	S	.	.			trans	-96.8	98	177.9	-169.2	0	0	0	0	109.3	E33 M35 W121 H123	E33-V91 HydrophobicContact CB-CG2 4.44Å; E33-V91 WeakPolarHBondContact OE2-CG2 3.41Å; M35-V91 HydrophobicContact CB-CG1 3.7Å; M35-V91 HydrophobicContact CE-CG1 3.69Å; M35-V91 HydrophobicContact CG-CG1 4.23Å; M35-V91 HydrophobicContact SD-CG1 3.57Å; M35-V91 VanDerWaalsContact SD-CG1 3.57Å; V91-W121 HydrophobicContact CB-CZ3 4.16Å; V91-W121 HydrophobicContact CG1-CE3 4.37Å; V91-W121 HydrophobicContact CG1-CZ3 3.74Å; V91-H123 HydrophobicContact CG1-CB 4.1Å; V91-H123 HydrophobicContact CG2-CB 4.47Å
92	E	77.5	Confident	84.4	Confident	93 Å²	93	65.7 Å²	65.7	44%	0.435	34%	0.341	S	S	.	.			trans	-122.2	132.6	176.7	-68.3	172.3	-151.3	0	0	108.6	R90	R90-E92 IonicContact CZ-OE1 2.67Å; R90-E92 IonicContact CZ-OE2 3.02Å; R90-E92 IonicContact NE-OE1 2.93Å; R90-E92 PolarHBondContact NE-OE1 2.82Å; R90-E92 VanDerWaalsContact NH2-CD 3.34Å; R90-E92 IonicContact NH2-OE1 3.73Å; R90-E92 PolarHBondContact NH2-OE1 2.78Å; R90-E92 IonicContact NH2-OE2 3.16Å; R90-E92 PolarHBondContact NH2-OE2 3.45Å
93	I	84.6	Confident	84.7	Confident	10 Å²	10	66.6 Å²	66.6	5%	0.051	36%	0.355	C	S	.	.			trans	-92.2	126.9	174.9	-56.1	165.2	0	0	0	106.9	M35 L37 L81 Q97 L98 W121 Y143	M35-I93 HydrophobicContact CE-CB 4.12Å; M35-I93 HydrophobicContact CE-CD1 4.16Å; M35-I93 HydrophobicContact CE-CG1 3.13Å; L37-I93 HydrophobicContact CD1-CG2 4.25Å; L37-I93 HydrophobicContact CD2-CD1 3.5Å; L37-I93 VanDerWaalsContact CD2-CD1 3.5Å; L37-I93 HydrophobicContact CG-CD1 4.03Å; L81-I93 HydrophobicContact CD1-CG1 4.25Å; L81-I93 HydrophobicContact CD1-CG2 3.83Å; I93-Q97 HydrophobicContact CG2-CB 3.69Å; I93-L98 HydrophobicContact CB-CG 4.47Å; I93-L98 HydrophobicContact CG2-CD2 3.98Å; I93-L98 HydrophobicContact CG2-CG 3.79Å; I93-W121 HydrophobicContact CD1-CB 3.8Å; I93-W121 HydrophobicContact CD1-CG 4.39Å; I93-Y143 HydrophobicContact CB-CE1 4.45Å; I93-Y143 WeakPolarHBondContact CB-OH 3.33Å; I93-Y143 HydrophobicContact CD1-CE2 4.12Å; I93-Y143 VanDerWaalsContact CG1-OH 3.27Å; I93-Y143 WeakPolarHBondContact CG1-OH 3.38Å; I93-Y143 PolarHBondContact N-OH 3.45Å
94	S	87.6	Confident	85.4	Confident	32 Å²	32	68.3 Å²	68.3	22%	0.224	36%	0.364	C	S	.	.			trans	-72.4	152.5	180	92.7	0	0	0	0	111.4	E96 Q97 L98	S94-E96 WeakPolarHBondContact CB-OE2 3.4Å; S94-E96 PolarHBondContact O-N 3.03Å; S94-E96 PolarHBondContact OG-N 3.19Å; S94-E96 PolarHBondContact OG-OE2 3.03Å; S94-Q97 WeakPolarHBondContact O-CB 3.24Å; S94-Q97 PolarHBondContact O-N 2.86Å; S94-Q97 PolarHBondContact OG-N 2.83Å; S94-L98 PolarHBondContact O-N 3.5Å
95	P	88.5	Confident	86.4	Confident	95 Å²	95	63.4 Å²	63.4	62%	0.617	33%	0.33	S	S	*	.	H	α-helix	trans	-56.2	-32.8	174.7	-26	35.7	0	0	0	113.1	L98 S99	P95-L98 PolarHBondContact O-N 3.39Å; P95-S99 WeakPolarHBondContact O-CB 3.43Å; P95-S99 PolarHBondContact O-N 2.91Å
96	E	90.4	Very high	87.3	Confident	135 Å²	135	67.9 Å²	67.9	63%	0.631	35%	0.349	S	S	*	.	H	α-helix	trans	-66.3	-39.4	175.9	-55.6	75.2	-162.9	0	0	111.5	S94 S99 A100	S94-E96 WeakPolarHBondContact CB-OE2 3.4Å; S94-E96 PolarHBondContact O-N 3.03Å; S94-E96 PolarHBondContact OG-N 3.19Å; S94-E96 PolarHBondContact OG-OE2 3.03Å; E96-S99 PolarHBondContact O-N 3.38Å; E96-A100 WeakPolarHBondContact O-CB 3.43Å; E96-A100 PolarHBondContact O-N 3.44Å
97	Q	91.4	Very high	88	Confident	34 Å²	34	67.7 Å²	67.7	16%	0.159	35%	0.346	C	S	.	.	H	α-helix	trans	-67.7	-41.6	175.4	-69.1	177.7	-52.1	0	0	111.7	L81 R82 I93 S94 S99 A100 A101	L81-Q97 HydrophobicContact CD1-CB 4.33Å; L81-Q97 HydrophobicContact CD2-CB 4.28Å; L81-Q97 HydrophobicContact CD2-CG 4.45Å; R82-Q97 PolarHBondContact O-NE2 2.95Å; I93-Q97 HydrophobicContact CG2-CB 3.69Å; S94-Q97 WeakPolarHBondContact O-CB 3.24Å; S94-Q97 PolarHBondContact O-N 2.86Å; S94-Q97 PolarHBondContact OG-N 2.83Å; Q97-S99 VanDerWaalsContact C-N 3.35Å; Q97-A100 PolarHBondContact O-N 3.39Å; Q97-A101 WeakPolarHBondContact O-CB 3.31Å; Q97-A101 PolarHBondContact O-N 3.01Å
98	L	91.6	Very high	88.8	Confident	27 Å²	27	60.8 Å²	60.8	14%	0.141	32%	0.32	C	S	.	.	H	α-helix	trans	-61.1	-44.7	173.3	-73.1	172.4	0	0	0	111.1	L37 I93 S94 P95 A100 A101 S102 Y143 M146	L37-L98 HydrophobicContact CD1-CD2 4.05Å; L37-L98 HydrophobicContact CD2-CD2 4.04Å; I93-L98 HydrophobicContact CB-CG 4.47Å; I93-L98 HydrophobicContact CG2-CD2 3.98Å; I93-L98 HydrophobicContact CG2-CG 3.79Å; S94-L98 PolarHBondContact O-N 3.5Å; P95-L98 PolarHBondContact O-N 3.39Å; L98-A100 PolarHBondContact O-N 3Å; L98-A101 PolarHBondContact O-N 3.43Å; L98-S102 PolarHBondContact O-N 2.96Å; L98-S102 PolarHBondContact O-OG 3.36Å; L98-Y143 HydrophobicContact CD1-CE1 4.19Å; L98-M146 HydrophobicContact CD1-CE 4.18Å; L98-M146 HydrophobicContact CD1-SD 4.34Å
99	S	94	Very high	89.6	Confident	74 Å²	74	55.1 Å²	55.1	52%	0.517	30%	0.3	S	S	.	.	H	α-helix	trans	-61.8	-44.4	177.2	-174	0	0	0	0	112.1	P95 E96 Q97 A101 S102 T103	P95-S99 WeakPolarHBondContact O-CB 3.43Å; P95-S99 PolarHBondContact O-N 2.91Å; E96-S99 PolarHBondContact O-N 3.38Å; Q97-S99 VanDerWaalsContact C-N 3.35Å; S99-A101 VanDerWaalsContact C-N 3.33Å; S99-A101 PolarHBondContact O-N 3.08Å; S99-S102 PolarHBondContact O-N 2.92Å; S99-T103 PolarHBondContact O-N 2.95Å; S99-T103 PolarHBondContact O-OG1 3.05Å
100	A	93.9	Very high	90.8	Very high	61 Å²	61	60.3 Å²	60.3	50%	0.504	32%	0.322	S	S	.	.	H	α-helix	trans	-63.5	-40	177.3	0	0	0	0	0	111.8	E96 Q97 L98 T103 E104	E96-A100 WeakPolarHBondContact O-CB 3.43Å; E96-A100 PolarHBondContact O-N 3.44Å; Q97-A100 PolarHBondContact O-N 3.39Å; L98-A100 PolarHBondContact O-N 3Å; A100-T103 PolarHBondContact O-N 3.38Å; A100-E104 PolarHBondContact O-N 3.25Å
101	A	94.6	Very high	91.6	Very high	1 Å²	1	61.1 Å²	61.1	1%	0.008	33%	0.333	C	S	.	.	H	α-helix	trans	-67.3	-35.5	175.8	0	0	0	0	0	112.7	L37 I79 Q97 L98 S99 E104 A105 V118	L37-A101 HydrophobicContact CD1-CB 3.32Å; I79-A101 HydrophobicContact CD1-CB 3.83Å; Q97-A101 WeakPolarHBondContact O-CB 3.31Å; Q97-A101 PolarHBondContact O-N 3.01Å; L98-A101 PolarHBondContact O-N 3.43Å; S99-A101 VanDerWaalsContact C-N 3.33Å; S99-A101 PolarHBondContact O-N 3.08Å; A101-E104 PolarHBondContact O-N 3.37Å; A101-A105 WeakPolarHBondContact O-CB 3.5Å; A101-A105 PolarHBondContact O-N 2.92Å; A101-V118 HydrophobicContact CB-CG2 3.88Å
102	S	95	Very high	92.3	Very high	54 Å²	54	64.2 Å²	64.2	38%	0.378	35%	0.352	S	S	.	.	H	α-helix	trans	-63.1	-44.8	171.8	-69.2	0	0	0	0	111.8	L98 S99 E104 A105 E106	L98-S102 PolarHBondContact O-N 2.96Å; L98-S102 PolarHBondContact O-OG 3.36Å; S99-S102 PolarHBondContact O-N 2.92Å; S102-E104 VanDerWaalsContact C-N 3.3Å; S102-E104 PolarHBondContact O-N 3.41Å; S102-A105 PolarHBondContact O-N 2.77Å; S102-E106 WeakPolarHBondContact O-CG 3.37Å; S102-E106 PolarHBondContact O-N 2.94Å
103	T	96.5	Very high	93	Very high	87 Å²	87	63.2 Å²	63.2	53%	0.534	37%	0.366	S	S	.	.	H	α-helix	trans	-59.7	-41.4	174.4	-57	0	0	0	0	111.8	S99 A100 E106 R107	S99-T103 PolarHBondContact O-N 2.95Å; S99-T103 PolarHBondContact O-OG1 3.05Å; A100-T103 PolarHBondContact O-N 3.38Å; T103-E106 PolarHBondContact O-N 2.64Å; T103-R107 PolarHBondContact O-N 2.8Å; T103-R107 VanDerWaalsContact O-N 3.07Å
104	E	94.7	Very high	93.4	Very high	58 Å²	58	67.1 Å²	67.1	27%	0.271	38%	0.38	S	S	.	.	H	α-helix	trans	-68.2	-37.7	177.4	-177.8	57	-163.9	0	0	112.1	I39 I79 A100 A101 S102 E106 R107 L108	I39-E104 HydrophobicContact CD1-CG 4.38Å; I79-E104 HydrophobicContact CD1-CB 3.84Å; I79-E104 HydrophobicContact CD1-CG 3.78Å; A100-E104 PolarHBondContact O-N 3.25Å; A101-E104 PolarHBondContact O-N 3.37Å; S102-E104 VanDerWaalsContact C-N 3.3Å; S102-E104 PolarHBondContact O-N 3.41Å; E104-E106 PolarHBondContact O-N 2.82Å; E104-R107 VanDerWaalsContact CD-NE 3.3Å; E104-R107 WeakPolarHBondContact O-CB 3.38Å; E104-R107 PolarHBondContact O-N 3.37Å; E104-R107 IonicContact OE1-CZ 3.03Å; E104-R107 VanDerWaalsContact OE1-CZ 3.24Å; E104-R107 IonicContact OE1-NE 2.66Å; E104-R107 PolarHBondContact OE1-NE 3.44Å; E104-R107 IonicContact OE1-NH2 3.73Å; E104-R107 PolarHBondContact OE1-NH2 3.17Å; E104-R107 IonicContact OE2-CZ 3.04Å; E104-R107 IonicContact OE2-NE 3.88Å; E104-R107 PolarHBondContact OE2-NE 3.01Å; E104-R107 IonicContact OE2-NH2 3.59Å; E104-L108 HydrophobicContact CG-CD1 4.37Å; E104-L108 VanDerWaalsContact O-CG 3.31Å; E104-L108 WeakPolarHBondContact O-CG 3.46Å; E104-L108 PolarHBondContact O-N 3.27Å
105	A	95.4	Very high	93.7	Very high	2 Å²	2	69.6 Å²	69.6	2%	0.017	40%	0.395	C	S	.	.	H	α-helix	trans	-63.3	-39.8	174.4	0	0	0	0	0	112.2	I39 A101 S102 L108 A109 V118	I39-A105 HydrophobicContact CD1-CB 4.02Å; I39-A105 HydrophobicContact CG1-CB 4.41Å; I39-A105 HydrophobicContact CG2-CB 4.23Å; A101-A105 WeakPolarHBondContact O-CB 3.5Å; A101-A105 PolarHBondContact O-N 2.92Å; S102-A105 PolarHBondContact O-N 2.77Å; A105-L108 PolarHBondContact O-N 3.39Å; A105-A109 WeakPolarHBondContact O-CB 3.4Å; A105-A109 PolarHBondContact O-N 3.01Å; A105-V118 HydrophobicContact CB-CG2 4.49Å
106	E	95.8	Very high	94.1	Very high	126 Å²	126	65.9 Å²	65.9	59%	0.589	37%	0.37	S	S	*	.	H	α-helix	trans	-60.7	-46.3	173.1	-72	172.8	-179.7	0	0	111.5	S102 T103 E104 L108 A109 E110	S102-E106 WeakPolarHBondContact O-CG 3.37Å; S102-E106 PolarHBondContact O-N 2.94Å; T103-E106 PolarHBondContact O-N 2.64Å; E104-E106 PolarHBondContact O-N 2.82Å; E106-L108 VanDerWaalsContact C-N 3.3Å; E106-L108 PolarHBondContact O-N 3.37Å; E106-A109 WeakPolarHBondContact O-CB 3.35Å; E106-A109 PolarHBondContact O-N 2.85Å; E106-A109 VanDerWaalsContact O-N 3.14Å; E106-E110 PolarHBondContact O-N 3.34Å
107	R	96.6	Very high	94.3	Very high	93 Å²	93	63.1 Å²	63.1	35%	0.351	35%	0.353	S	S	.	.	H	α-helix	trans	-58.3	-42.5	175.6	-168.9	-163.7	72.1	79.1	-6.5	111.9	T103 E104 L111	T103-R107 PolarHBondContact O-N 2.8Å; T103-R107 VanDerWaalsContact O-N 3.07Å; E104-R107 VanDerWaalsContact CD-NE 3.3Å; E104-R107 WeakPolarHBondContact O-CB 3.38Å; E104-R107 PolarHBondContact O-N 3.37Å; E104-R107 IonicContact OE1-CZ 3.03Å; E104-R107 VanDerWaalsContact OE1-CZ 3.24Å; E104-R107 IonicContact OE1-NE 2.66Å; E104-R107 PolarHBondContact OE1-NE 3.44Å; E104-R107 IonicContact OE1-NH2 3.73Å; E104-R107 PolarHBondContact OE1-NH2 3.17Å; E104-R107 IonicContact OE2-CZ 3.04Å; E104-R107 IonicContact OE2-NE 3.88Å; E104-R107 PolarHBondContact OE2-NE 3.01Å; E104-R107 IonicContact OE2-NH2 3.59Å; R107-L111 WeakPolarHBondContact O-CB 3.42Å; R107-L111 PolarHBondContact O-N 3.47Å
108	L	94.1	Very high	94.6	Very high	4 Å²	4	62.3 Å²	62.3	2%	0.021	35%	0.351	C	S	.	.	H	α-helix	trans	-69.6	-34	177.4	-70	177	0	0	0	112.4	I39 E104 A105 E106 L111 T112 M116 V203	I39-L108 HydrophobicContact CD1-CD1 3.82Å; I39-L108 HydrophobicContact CG2-CD1 4.18Å; E104-L108 HydrophobicContact CG-CD1 4.37Å; E104-L108 VanDerWaalsContact O-CG 3.31Å; E104-L108 WeakPolarHBondContact O-CG 3.46Å; E104-L108 PolarHBondContact O-N 3.27Å; A105-L108 PolarHBondContact O-N 3.39Å; E106-L108 VanDerWaalsContact C-N 3.3Å; E106-L108 PolarHBondContact O-N 3.37Å; L108-L111 PolarHBondContact O-N 2.83Å; L108-T112 WeakPolarHBondContact O-CB 3.29Å; L108-T112 WeakPolarHBondContact O-CG2 3.32Å; L108-T112 PolarHBondContact O-N 3.1Å; L108-T112 PolarHBondContact O-OG1 3.36Å; L108-M116 HydrophobicContact CB-CB 4.37Å; L108-M116 HydrophobicContact CB-CG 4.3Å; L108-V203 HydrophobicContact CD1-CG1 3.8Å; L108-V203 HydrophobicContact CD2-CB 4.3Å; L108-V203 HydrophobicContact CD2-CG1 3.68Å; L108-V203 HydrophobicContact CD2-CG2 3.58Å; L108-V203 HydrophobicContact CG-CG1 4.42Å
109	A	95.2	Very high	94.9	Very high	23 Å²	23	61 Å²	61	19%	0.19	34%	0.344	C	S	.	.	H	α-helix	trans	-63.5	-45.9	175.2	0	0	0	0	0	111.2	A105 E106 G113 R114 M116	A105-A109 WeakPolarHBondContact O-CB 3.4Å; A105-A109 PolarHBondContact O-N 3.01Å; E106-A109 WeakPolarHBondContact O-CB 3.35Å; E106-A109 PolarHBondContact O-N 2.85Å; E106-A109 VanDerWaalsContact O-N 3.14Å; A109-G113 WeakPolarHBondContact O-CA 3.47Å; A109-G113 PolarHBondContact O-N 2.83Å; A109-R114 WeakPolarHBondContact CA-O 3.37Å; A109-R114 WeakPolarHBondContact CB-O 3.18Å; A109-R114 PolarHBondContact O-N 2.94Å; A109-M116 HydrophobicContact CB-CB 4Å; A109-M116 HydrophobicContact CB-CG 4.49Å
110	E	95.8	Very high	95	Very high	168 Å²	168	57.5 Å²	57.5	79%	0.785	32%	0.319	S	S	*	.	H	α-helix	trans	-63.2	-42.6	175.3	-69.1	-179.1	174.8	0	0	112.2	E106	E106-E110 PolarHBondContact O-N 3.34Å
111	L	92.9	Very high	95.2	Very high	105 Å²	105	54.6 Å²	54.6	55%	0.55	30%	0.295	S	S	.	.	H	α-helix	trans	-67.2	-38.9	-178.6	179.9	63.1	0	0	0	113	R107 L108	R107-L111 WeakPolarHBondContact O-CB 3.42Å; R107-L111 PolarHBondContact O-N 3.47Å; L108-L111 PolarHBondContact O-N 2.83Å
112	T	91.7	Very high	95.4	Very high	67 Å²	67	54.5 Å²	54.5	41%	0.411	30%	0.295	S	S	.	.	H	α-helix	trans	-98.3	-14.7	-173.5	62.1	0	0	0	0	113.4	L108 R114	L108-T112 WeakPolarHBondContact O-CB 3.29Å; L108-T112 WeakPolarHBondContact O-CG2 3.32Å; L108-T112 PolarHBondContact O-N 3.1Å; L108-T112 PolarHBondContact O-OG1 3.36Å; T112-R114 PolarHBondContact O-N 2.9Å; T112-R114 PolarHBondContact OG1-N 3.22Å
113	G	93.1	Very high	95.5	Very high	71 Å²	71	52 Å²	52	73%	0.732	28%	0.277	S	S	*	.	T	Hydrogen-bonded Turn	trans	68.2	15.8	-171.8	0	0	0	0	0	113.7	A109	A109-G113 WeakPolarHBondContact O-CA 3.47Å; A109-G113 PolarHBondContact O-N 2.83Å
114	R	92.8	Very high	95.5	Very high	93 Å²	93	47.9 Å²	47.9	35%	0.351	25%	0.252	S	S	.	.	S	Bend	trans	-107.4	151	178.3	-61.9	-177.1	71.9	165.6	10.2	110.7	E41 H76 A109 T112 M116	E41-R114 IonicContact OE1-CZ 2.72Å; E41-R114 IonicContact OE1-NE 3.59Å; E41-R114 IonicContact OE1-NH2 3.41Å; E41-R114 PolarHBondContact OE1-NH2 3.1Å; E41-R114 IonicContact OE2-CZ 2.93Å; E41-R114 IonicContact OE2-NE 3.34Å; E41-R114 PolarHBondContact OE2-NE 2.86Å; E41-R114 IonicContact OE2-NH2 3.04Å; H76-R114 PolarHBondContact CD2-NH1 2.97Å; H76-R114 PolarHBondContact CE1-NH2 3.47Å; H76-R114 PolarHBondContact NE2-NH1 2.98Å; H76-R114 PolarHBondContact NE2-NH2 3.16Å; A109-R114 WeakPolarHBondContact CA-O 3.37Å; A109-R114 WeakPolarHBondContact CB-O 3.18Å; A109-R114 PolarHBondContact O-N 2.94Å; T112-R114 PolarHBondContact O-N 2.9Å; T112-R114 PolarHBondContact OG1-N 3.22Å; R114-M116 HydrophobicContact CB-CE 3.49Å; R114-M116 VanDerWaalsContact CB-CE 3.49Å; R114-M116 HydrophobicContact CB-CG 4.26Å; R114-M116 HydrophobicContact CB-SD 4.4Å; R114-M116 HydrophobicContact CG-CE 4.47Å; R114-M116 PolarHBondContact O-N 3.31Å
115	P	94.3	Very high	95.7	Very high	84 Å²	84	45.4 Å²	45.4	55%	0.545	24%	0.24	S	C	.	.			trans	-75.8	63.8	179.5	33.8	-37.7	0	0	0	112.2	E41	E41-P115 HydrophobicContact CB-CG 4.32Å; E41-P115 WeakPolarHBondContact OE2-CD 3.04Å
116	M	95.5	Very high	95.7	Very high	16 Å²	16	45.9 Å²	45.9	8%	0.079	24%	0.244	C	C	.	.			trans	-69.4	133.5	-179	-59.8	-69.4	91.8	0	0	110.9	I39 E41 H76 L108 A109 R114	I39-M116 HydrophobicContact CG2-CB 3.99Å; I39-M116 HydrophobicContact CG2-SD 4.4Å; E41-M116 HydrophobicContact CB-CE 4.08Å; E41-M116 HydrophobicContact CG-CE 4.37Å; E41-M116 WeakPolarHBondContact OE2-CE 3.31Å; H76-M116 HydrophobicContact CB-SD 4.19Å; H76-M116 WeakPolarHBondContact ND1-CE 3.21Å; L108-M116 HydrophobicContact CB-CB 4.37Å; L108-M116 HydrophobicContact CB-CG 4.3Å; A109-M116 HydrophobicContact CB-CB 4Å; A109-M116 HydrophobicContact CB-CG 4.49Å; R114-M116 HydrophobicContact CB-CE 3.49Å; R114-M116 VanDerWaalsContact CB-CE 3.49Å; R114-M116 HydrophobicContact CB-CG 4.26Å; R114-M116 HydrophobicContact CB-SD 4.4Å; R114-M116 HydrophobicContact CG-CE 4.47Å; R114-M116 PolarHBondContact O-N 3.31Å
117	R	96.1	Very high	95.7	Very high	77 Å²	77	45.1 Å²	45.1	29%	0.291	24%	0.24	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-146.7	168.2	174.6	69.6	-177.2	-159.7	85.7	-10.8	110.6	I39 G40 V119 D147	I39-R117 WeakPolarHBondContact CA-O 3.12Å; G40-R117 PolarHBondContact N-O 3.03Å; G40-R117 PolarHBondContact O-N 2.88Å; G40-R117 VanDerWaalsContact O-O 3.09Å; R117-V119 HydrophobicContact CG-CG1 3.62Å; R117-V119 PolarHBondContact O-N 3.04Å; R117-D147 IonicContact CZ-OD2 3.01Å; R117-D147 IonicContact NH1-OD2 3.24Å; R117-D147 PolarHBondContact NH1-OD2 3.02Å; R117-D147 IonicContact NH2-OD1 2.99Å; R117-D147 PolarHBondContact NH2-OD1 2.85Å; R117-D147 IonicContact NH2-OD2 3.46Å; R117-D147 PolarHBondContact NH2-OD2 3.38Å
118	V	97.3	Very high	95.5	Very high	17 Å²	17	43.5 Å²	43.5	10%	0.103	24%	0.238	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-71.1	120.1	168.4	-171	0	0	0	0	108.2	L37 A101 A105 F150	L37-V118 HydrophobicContact CB-CG1 4.42Å; L37-V118 HydrophobicContact CD1-CG1 4.43Å; L37-V118 HydrophobicContact CD2-CG1 3.75Å; L37-V118 HydrophobicContact CG-CG1 4.44Å; A101-V118 HydrophobicContact CB-CG2 3.88Å; A105-V118 HydrophobicContact CB-CG2 4.49Å; V118-F150 HydrophobicContact CG1-CE2 4Å
119	V	97	Very high	95.6	Very high	0 Å²	0	47.4 Å²	47.4	0%	0	26%	0.261	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-119	-9.7	-174.1	-66.6	0	0	0	0	113.6	C38 V73 I75 R117 F150 V151	C38-V119 HydrophobicContact CB-CG2 4.32Å; C38-V119 PolarHBondContact O-N 3.03Å; V73-V119 HydrophobicContact CG1-CB 3.8Å; V73-V119 HydrophobicContact CG1-CG1 4.45Å; V73-V119 HydrophobicContact CG1-CG2 3.73Å; I75-V119 HydrophobicContact CG1-CG2 4.05Å; R117-V119 HydrophobicContact CG-CG1 3.62Å; R117-V119 PolarHBondContact O-N 3.04Å; V119-F150 WeakPolarHBondContact O-CA 3.3Å; V119-V151 PolarHBondContact O-N 2.86Å; V119-V151 VanDerWaalsContact O-N 3.14Å
120	G	97.4	Very high	95.7	Very high	0 Å²	0	47 Å²	47	0%	0	26%	0.257	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-177.2	-172.4	-179.6	0	0	0	0	0	112.9	L37 C38 F150 V151	L37-G120 WeakPolarHBondContact CD2-O 3.49Å; C38-G120 PolarHBondContact N-O 2.7Å; G120-F150 VanDerWaalsContact C-CZ 3.48Å; G120-V151 CarbonylContact C-O 3.47Å; G120-V151 WeakPolarHBondContact CA-O 3.34Å
121	W	98	Very high	95.7	Very high	0 Å²	0	44.7 Å²	44.7	0%	0	24%	0.241	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-143.1	160.8	178.6	68.8	-56.9	0	0	0	110.2	G36 L37 V91 I93 H123 T139 Q140 Y143 F150 V151 L153 F174	G36-W121 WeakPolarHBondContact O-CA 3.36Å; L37-W121 HydrophobicContact CD2-CB 4.07Å; V91-W121 HydrophobicContact CB-CZ3 4.16Å; V91-W121 HydrophobicContact CG1-CE3 4.37Å; V91-W121 HydrophobicContact CG1-CZ3 3.74Å; I93-W121 HydrophobicContact CD1-CB 3.8Å; I93-W121 HydrophobicContact CD1-CG 4.39Å; W121-H123 AromaticContact CH2-CE1 3.83Å; W121-H123 AromaticContact CH2-ND1 3.65Å; W121-H123 HydrophobicContact CZ3-CB 4.38Å; W121-H123 AromaticContact CZ3-ND1 3.42Å; W121-H123 WeakPolarHBondContact CZ3-ND1 3.46Å; W121-T139 HydrophobicContact CH2-CG2 4.07Å; W121-T139 HydrophobicContact CZ2-CG2 4.14Å; W121-Q140 HydrophobicContact CZ2-CB 4.47Å; W121-Y143 HydrophobicContact CD2-CE2 4.15Å; W121-Y143 HydrophobicContact CG-CE2 4.38Å; W121-F150 HydrophobicContact CB-CE1 4.09Å; W121-F150 HydrophobicContact CB-CZ 4.07Å; W121-F150 AromaticContact CD1-CD1 3.89Å; W121-F150 AromaticContact CD1-CE1 3.18Å; W121-F150 AromaticContact CG-CE1 3.83Å; W121-F150 HydrophobicContact CG-CE1 3.83Å; W121-F150 HydrophobicContact CG-CZ 4.31Å; W121-F150 AromaticContact NE1-CE1 3.92Å; W121-V151 PolarHBondContact N-O 2.93Å; W121-L153 PolarHBondContact O-N 2.9Å; W121-F174 HydrophobicContact CZ2-CZ 4.33Å
122	Y	98.3	Very high	95.9	Very high	0 Å²	0	40.5 Å²	40.5	0%	0	22%	0.22	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-137.9	154.2	172.1	74.6	-84.3	0	0	0	111.7	C22 H25 M35 G36 V78 L153 F155	C22-Y122 HydrophobicContact CB-CD2 4.42Å; C22-Y122 HydrophobicContact CB-CE2 4.29Å; H25-Y122 AromaticContact ND1-CE2 3.69Å; H25-Y122 AromaticContact ND1-CZ 3.66Å; H25-Y122 PolarHBondContact ND1-OH 3.38Å; M35-Y122 CarbonylContact C-O 3.55Å; M35-Y122 VanDerWaalsContact CA-O 3.25Å; M35-Y122 WeakPolarHBondContact CA-O 3.03Å; G36-Y122 PolarHBondContact N-O 2.82Å; G36-Y122 PolarHBondContact O-N 3.28Å; V78-Y122 HydrophobicContact CB-CE1 4.05Å; V78-Y122 HydrophobicContact CG1-CE1 4.32Å; V78-Y122 HydrophobicContact CG2-CE1 4.47Å; Y122-L153 WeakPolarHBondContact CA-O 3.34Å; Y122-F155 HydrophobicContact CD2-CD2 4.23Å; Y122-F155 HydrophobicContact CD2-CE2 4.3Å; Y122-F155 HydrophobicContact CG-CE2 4.44Å
123	H	97.5	Very high	96	Very high	0 Å²	0	38.8 Å²	38.8	0%	0	21%	0.211	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-144.5	169.6	166.4	69.5	-77.3	0	0	0	112.1	V34 M35 V91 W121 H125 D136 L153 I154 F155	V34-H123 CarbonylContact O-C 3.54Å; V34-H123 WeakPolarHBondContact O-CA 3.38Å; V34-H123 WeakPolarHBondContact O-CB 3.48Å; M35-H123 HydrophobicContact CB-CB 4.2Å; V91-H123 HydrophobicContact CG1-CB 4.1Å; V91-H123 HydrophobicContact CG2-CB 4.47Å; W121-H123 AromaticContact CH2-CE1 3.83Å; W121-H123 AromaticContact CH2-ND1 3.65Å; W121-H123 HydrophobicContact CZ3-CB 4.38Å; W121-H123 AromaticContact CZ3-ND1 3.42Å; W121-H123 WeakPolarHBondContact CZ3-ND1 3.46Å; H123-H125 AromaticContact CD2-CD2 3.55Å; H123-H125 AromaticContact CD2-NE2 3.55Å; H123-H125 AromaticContact NE2-CD2 3.47Å; H123-H125 PolarHBondContact NE2-CD2 3.47Å; H123-H125 AromaticContact NE2-CE1 3.95Å; H123-H125 AromaticContact NE2-NE2 2.95Å; H123-H125 PolarHBondContact NE2-NE2 2.97Å; H123-D136 IonicContact CE1-OD1 3.79Å; H123-D136 PolarHBondContact CE1-OD1 2.65Å; H123-D136 IonicContact NE2-OD1 3.29Å; H123-D136 PolarHBondContact NE2-OD1 3Å; H123-D136 IonicContact NE2-OD2 3.99Å; H123-L153 PolarHBondContact N-O 2.9Å; H123-L153 VanDerWaalsContact N-O 3.12Å; H123-I154 WeakPolarHBondContact O-CA 3.41Å; H123-F155 PolarHBondContact O-N 2.95Å
124	S	97.3	Very high	95.9	Very high	1 Å²	1	43.9 Å²	43.9	1%	0.007	22%	0.215	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-107.6	147.8	178.5	72.4	0	0	0	0	112.9	E33 V34 F155	E33-S124 VanDerWaalsContact CB-O 3.31Å; E33-S124 WeakPolarHBondContact CB-O 3.4Å; E33-S124 VanDerWaalsContact CG-O 3.28Å; E33-S124 WeakPolarHBondContact CG-O 3.22Å; V34-S124 WeakPolarHBondContact CG2-OG 3.44Å; V34-S124 PolarHBondContact N-OG 2.83Å; V34-S124 PolarHBondContact O-N 3.12Å; S124-F155 CarbonylContact C-O 3.49Å; S124-F155 WeakPolarHBondContact CA-O 3.41Å
125	H	97.1	Very high	95.9	Very high	6 Å²	6	42.5 Å²	42.5	3%	0.028	22%	0.217	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-116.2	86.5	170.3	-78.9	-172.9	0	0	0	109.2	H123 H127 I128 T129 W131 D136 I154 F155 S156 C157	H123-H125 AromaticContact CD2-CD2 3.55Å; H123-H125 AromaticContact CD2-NE2 3.55Å; H123-H125 AromaticContact NE2-CD2 3.47Å; H123-H125 PolarHBondContact NE2-CD2 3.47Å; H123-H125 AromaticContact NE2-CE1 3.95Å; H123-H125 AromaticContact NE2-NE2 2.95Å; H123-H125 PolarHBondContact NE2-NE2 2.97Å; H125-H127 PolarHBondContact O-N 2.96Å; H125-I128 HydrophobicContact CB-CB 4.22Å; H125-T129 PolarHBondContact ND1-O 3.34Å; H125-W131 PolarHBondContact CE1-O 2.91Å; H125-D136 IonicContact CE1-OD2 3.87Å; H125-D136 IonicContact NE2-OD2 2.66Å; H125-I154 HydrophobicContact CB-CG2 4.22Å; H125-F155 PolarHBondContact N-O 2.83Å; H125-S156 WeakPolarHBondContact O-CA 3.37Å; H125-C157 PolarHBondContact O-N 3.48Å
126	P	95.9	Very high	95.9	Very high	13 Å²	13	38.6 Å²	38.6	8%	0.084	19%	0.192	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-69	130.9	175.2	28.6	-33.1	0	0	0	110.4	E30 I128 F158	E30-P126 WeakPolarHBondContact O-CB 3.21Å; P126-I128 PolarHBondContact O-N 3.49Å; P126-F158 HydrophobicContact CB-CD2 4.09Å
127	H	95.8	Very high	95.9	Very high	109 Å²	109	38.4 Å²	38.4	51%	0.505	19%	0.191	S	C	.	.	T	Hydrogen-bonded Turn	trans	57.6	13.6	179.2	-53	-61.5	0	0	0	116	H125 C157 F158	H125-H127 PolarHBondContact O-N 2.96Å; H127-C157 PolarHBondContact N-O 3.43Å; H127-F158 WeakPolarHBondContact CE1-CB 3.37Å; H127-F158 PolarHBondContact CE1-O 3.14Å; H127-F158 PolarHBondContact ND1-O 3.06Å
128	I	93.6	Very high	95.7	Very high	60 Å²	60	43.5 Å²	43.5	31%	0.308	21%	0.21	S	C	.	.	S	Bend	trans	-126	156	-179.4	-60.8	169.7	0	0	0	108.8	H125 P126 S156	H125-I128 HydrophobicContact CB-CB 4.22Å; P126-I128 PolarHBondContact O-N 3.49Å; I128-S156 PolarHBondContact O-OG 3.42Å
129	T	95.2	Very high	95.5	Very high	85 Å²	85	43.3 Å²	43.3	52%	0.521	21%	0.209	S	C	.	.			trans	-58.8	153.4	178.9	64.1	0	0	0	0	112.5	H125 W131	H125-T129 PolarHBondContact ND1-O 3.34Å; T129-W131 PolarHBondContact O-N 2.68Å
130	V	96.7	Very high	95.4	Very high	16 Å²	16	43.3 Å²	43.3	10%	0.097	21%	0.209	C	C	.	.	S	Bend	trans	-69.3	-10.7	178.5	75.5	0	0	0	0	114.5	I154 L170 T172	V130-I154 HydrophobicContact CG2-CB 4.43Å; V130-I154 HydrophobicContact CG2-CG2 4.41Å; V130-L170 HydrophobicContact CB-CB 4.05Å; V130-L170 HydrophobicContact CG1-CB 4.33Å; V130-L170 HydrophobicContact CG2-CB 4.19Å; V130-T172 HydrophobicContact CG2-CG2 3.84Å; V130-T172 WeakPolarHBondContact O-CG2 3.07Å
131	W	97.3	Very high	95.2	Very high	119 Å²	119	43.5 Å²	43.5	45%	0.451	21%	0.211	S	C	.	.	S	Bend	trans	-70.2	137.2	-177.9	-60.3	118.3	0	0	0	112	H125 T129 R187 E189	H125-W131 PolarHBondContact CE1-O 2.91Å; T129-W131 PolarHBondContact O-N 2.68Å; W131-R187 VanDerWaalsContact CE3-CZ 3.44Å; W131-R187 VanDerWaalsContact CE3-NH1 3.33Å; W131-E189 VanDerWaalsContact CH2-OE1 3.31Å; W131-E189 WeakPolarHBondContact CH2-OE1 3.28Å; W131-E189 HydrophobicContact CZ3-CG 4.45Å; W131-E189 WeakPolarHBondContact CZ3-OE1 3.27Å
132	P	95.6	Very high	94.9	Very high	16 Å²	16	47.9 Å²	47.9	10%	0.104	23%	0.232	C	C	.	.	P	Polyproline II helix	trans	-65.3	138.3	178	27.2	-34	0	0	0	110.7	D136 V137 I154 F174 R187	P132-D136 HydrophobicContact CB-CB 3.85Å; P132-V137 HydrophobicContact CB-CG2 4.09Å; P132-V137 HydrophobicContact CG-CG2 4.19Å; P132-I154 HydrophobicContact CB-CD1 3.68Å; P132-F174 HydrophobicContact CB-CD1 4.43Å; P132-F174 HydrophobicContact CB-CD2 4.19Å; P132-F174 HydrophobicContact CB-CE1 4.17Å; P132-F174 HydrophobicContact CB-CE2 3.89Å; P132-F174 HydrophobicContact CB-CG 4.45Å; P132-F174 HydrophobicContact CB-CZ 3.89Å; P132-F174 HydrophobicContact CG-CD1 4.47Å; P132-F174 HydrophobicContact CG-CD2 4.1Å; P132-F174 HydrophobicContact CG-CE2 4.31Å; P132-F174 HydrophobicContact CG-CG 4.19Å; P132-R187 HydrophobicContact CG-CB 4.1Å; P132-R187 HydrophobicContact CG-CG 4.44Å
133	S	93.8	Very high	94.7	Very high	31 Å²	31	48.1 Å²	48.1	22%	0.217	23%	0.233	C	C	.	.	P	Polyproline II helix	trans	-72.5	170.5	170.5	74.7	0	0	0	0	111.3	V135 D136 V137	S133-V135 PolarHBondContact O-N 2.76Å; S133-V135 PolarHBondContact OG-N 2.89Å; S133-D136 VanDerWaalsContact CB-OD2 3.28Å; S133-D136 WeakPolarHBondContact CB-OD2 3.28Å; S133-D136 PolarHBondContact N-OD2 2.87Å; S133-D136 PolarHBondContact O-N 2.78Å; S133-D136 PolarHBondContact OG-N 3.14Å; S133-D136 VanDerWaalsContact OG-N 3.16Å; S133-D136 PolarHBondContact OG-OD2 3.45Å; S133-V137 WeakPolarHBondContact O-CG2 3.43Å; S133-V137 PolarHBondContact O-N 2.88Å; S133-V137 VanDerWaalsContact O-N 3.09Å
134	H	91.6	Very high	94.4	Very high	178 Å²	178	48.5 Å²	48.5	82%	0.824	24%	0.235	S	C	*	.	H	α-helix	trans	-62.9	-28.1	173.7	-66.5	79.8	0	0	0	112.4	R138	H134-R138 WeakPolarHBondContact O-CB 3.49Å; H134-R138 PolarHBondContact O-N 3.47Å
135	V	92.1	Very high	94.1	Very high	65 Å²	65	54.7 Å²	54.7	39%	0.394	27%	0.265	S	S	.	.	H	α-helix	trans	-71.9	-44.2	175.7	-175.6	0	0	0	0	109.6	D89 S133 V137 R138 T139	D89-V135 VanDerWaalsContact O-CG1 3.29Å; D89-V135 WeakPolarHBondContact O-CG1 3.5Å; S133-V135 PolarHBondContact O-N 2.76Å; S133-V135 PolarHBondContact OG-N 2.89Å; V135-V137 PolarHBondContact O-N 3.21Å; V135-R138 PolarHBondContact O-N 2.95Å; V135-R138 VanDerWaalsContact O-N 3.15Å; V135-T139 WeakPolarHBondContact O-CB 3.4Å; V135-T139 PolarHBondContact O-N 2.95Å; V135-T139 PolarHBondContact O-OG1 2.93Å; V135-T139 VanDerWaalsContact O-OG1 3.1Å
136	D	94.9	Very high	93.7	Very high	2 Å²	2	61.1 Å²	61.1	1%	0.011	30%	0.297	C	S	.	.	H	α-helix	trans	-59.6	-44.6	178.2	-58.2	-44.5	0	0	0	112	H123 H125 P132 S133 R138 T139 Q140 F174	H123-D136 IonicContact CE1-OD1 3.79Å; H123-D136 PolarHBondContact CE1-OD1 2.65Å; H123-D136 IonicContact NE2-OD1 3.29Å; H123-D136 PolarHBondContact NE2-OD1 3Å; H123-D136 IonicContact NE2-OD2 3.99Å; H125-D136 IonicContact CE1-OD2 3.87Å; H125-D136 IonicContact NE2-OD2 2.66Å; P132-D136 HydrophobicContact CB-CB 3.85Å; S133-D136 VanDerWaalsContact CB-OD2 3.28Å; S133-D136 WeakPolarHBondContact CB-OD2 3.28Å; S133-D136 PolarHBondContact N-OD2 2.87Å; S133-D136 PolarHBondContact O-N 2.78Å; S133-D136 PolarHBondContact OG-N 3.14Å; S133-D136 VanDerWaalsContact OG-N 3.16Å; S133-D136 PolarHBondContact OG-OD2 3.45Å; D136-R138 VanDerWaalsContact C-N 3.34Å; D136-R138 PolarHBondContact O-N 3.49Å; D136-T139 PolarHBondContact O-N 3.33Å; D136-Q140 WeakPolarHBondContact O-CB 3.29Å; D136-Q140 PolarHBondContact O-N 2.99Å; D136-F174 HydrophobicContact CB-CZ 4.15Å
137	V	94.8	Very high	93.5	Very high	11 Å²	11	62.4 Å²	62.4	7%	0.067	30%	0.303	C	S	.	.	H	α-helix	trans	-63.1	-40.5	177	177.1	0	0	0	0	111.1	P132 S133 V135 A141 S176 Y185 R187	P132-V137 HydrophobicContact CB-CG2 4.09Å; P132-V137 HydrophobicContact CG-CG2 4.19Å; S133-V137 WeakPolarHBondContact O-CG2 3.43Å; S133-V137 PolarHBondContact O-N 2.88Å; S133-V137 VanDerWaalsContact O-N 3.09Å; V135-V137 PolarHBondContact O-N 3.21Å; V137-A141 WeakPolarHBondContact O-CB 3.49Å; V137-A141 PolarHBondContact O-N 3.1Å; V137-S176 WeakPolarHBondContact CG1-OG 3.36Å; V137-S176 PolarHBondContact O-OG 3.4Å; V137-Y185 WeakPolarHBondContact CG1-O 3.32Å; V137-R187 HydrophobicContact CG2-CB 3.89Å
138	R	92.6	Very high	93.2	Very high	185 Å²	185	61.2 Å²	61.2	70%	0.698	30%	0.298	S	S	*	.	H	α-helix	trans	-67.9	-42.6	176.9	-173.2	-179.5	-66.5	176.9	-0.8	112	H134 V135 D136 A141 M142	H134-R138 WeakPolarHBondContact O-CB 3.49Å; H134-R138 PolarHBondContact O-N 3.47Å; V135-R138 PolarHBondContact O-N 2.95Å; V135-R138 VanDerWaalsContact O-N 3.15Å; D136-R138 VanDerWaalsContact C-N 3.34Å; D136-R138 PolarHBondContact O-N 3.49Å; R138-A141 PolarHBondContact O-N 3.28Å; R138-M142 PolarHBondContact O-N 3.45Å
139	T	92.8	Very high	93.1	Very high	12 Å²	12	58.5 Å²	58.5	7%	0.074	29%	0.285	C	S	.	.	H	α-helix	trans	-62.9	-44.2	176.5	-64.2	0	0	0	0	110.9	W121 V135 D136 A141 M142 Y143	W121-T139 HydrophobicContact CH2-CG2 4.07Å; W121-T139 HydrophobicContact CZ2-CG2 4.14Å; V135-T139 WeakPolarHBondContact O-CB 3.4Å; V135-T139 PolarHBondContact O-N 2.95Å; V135-T139 PolarHBondContact O-OG1 2.93Å; V135-T139 VanDerWaalsContact O-OG1 3.1Å; D136-T139 PolarHBondContact O-N 3.33Å; T139-A141 PolarHBondContact O-N 3.37Å; T139-M142 WeakPolarHBondContact O-CB 3.47Å; T139-M142 PolarHBondContact O-N 3.5Å; T139-M142 VanDerWaalsContact O-N 3.17Å; T139-Y143 HydrophobicContact CG2-CD2 4.03Å; T139-Y143 HydrophobicContact CG2-CE2 3.4Å; T139-Y143 WeakPolarHBondContact O-CD2 3.19Å; T139-Y143 PolarHBondContact O-N 3.42Å
140	Q	95.3	Very high	93.1	Very high	0 Å²	0	55 Å²	55	0%	0	26%	0.263	C	S	.	.	H	α-helix	trans	-60.6	-43.9	174.7	173.8	57.8	35.5	0	0	111.7	W121 D136 M142 Y143 Q144 F150 F174 S176	W121-Q140 HydrophobicContact CZ2-CB 4.47Å; D136-Q140 WeakPolarHBondContact O-CB 3.29Å; D136-Q140 PolarHBondContact O-N 2.99Å; Q140-M142 VanDerWaalsContact C-N 3.3Å; Q140-M142 PolarHBondContact O-N 2.75Å; Q140-Y143 PolarHBondContact O-N 3.1Å; Q140-Q144 PolarHBondContact O-N 3.28Å; Q140-F150 PolarHBondContact NE2-O 3.24Å; Q140-F174 HydrophobicContact CB-CE2 3.65Å; Q140-F174 HydrophobicContact CB-CZ 4.14Å; Q140-F174 HydrophobicContact CG-CD2 4.16Å; Q140-F174 HydrophobicContact CG-CE2 3.76Å; Q140-F174 HydrophobicContact CG-CZ 4.42Å; Q140-S176 WeakPolarHBondContact CB-OG 3.42Å; Q140-S176 VanDerWaalsContact CG-OG 3.29Å; Q140-S176 WeakPolarHBondContact CG-OG 3.33Å
141	A	93.3	Very high	93.2	Very high	4 Å²	4	54.2 Å²	54.2	3%	0.033	26%	0.258	C	S	.	.	H	α-helix	trans	-60.4	-38.4	174.6	0	0	0	0	0	112.7	V137 R138 T139 Q144 M145 Y185	V137-A141 WeakPolarHBondContact O-CB 3.49Å; V137-A141 PolarHBondContact O-N 3.1Å; R138-A141 PolarHBondContact O-N 3.28Å; T139-A141 PolarHBondContact O-N 3.37Å; A141-Q144 PolarHBondContact O-N 2.99Å; A141-M145 WeakPolarHBondContact O-CG 3.47Å; A141-M145 PolarHBondContact O-N 3.05Å; A141-M145 VanDerWaalsContact O-N 3.15Å; A141-Y185 HydrophobicContact CB-CD1 3.47Å; A141-Y185 VanDerWaalsContact CB-CD1 3.47Å; A141-Y185 HydrophobicContact CB-CD2 3.74Å; A141-Y185 HydrophobicContact CB-CE1 3.65Å; A141-Y185 HydrophobicContact CB-CE2 3.9Å; A141-Y185 HydrophobicContact CB-CG 3.52Å
142	M	92	Very high	93.2	Very high	93 Å²	93	48.6 Å²	48.6	46%	0.458	24%	0.237	S	C	.	.	H	α-helix	trans	-63	-45.6	175.3	-176.8	-171.2	72.7	0	0	111.7	R138 T139 Q140 Q144 M145	R138-M142 PolarHBondContact O-N 3.45Å; T139-M142 WeakPolarHBondContact O-CB 3.47Å; T139-M142 PolarHBondContact O-N 3.5Å; T139-M142 VanDerWaalsContact O-N 3.17Å; Q140-M142 VanDerWaalsContact C-N 3.3Å; Q140-M142 PolarHBondContact O-N 2.75Å; M142-Q144 VanDerWaalsContact C-N 3.29Å; M142-Q144 PolarHBondContact O-N 3.06Å; M142-M145 WeakPolarHBondContact O-CB 3.33Å; M142-M145 PolarHBondContact O-N 3.21Å; M142-M145 VanDerWaalsContact O-N 3.14Å
143	Y	93.4	Very high	93.3	Very high	5 Å²	5	47.9 Å²	47.9	2%	0.02	23%	0.232	C	C	.	.	H	α-helix	trans	-65.4	-34.4	175.4	-64.2	-49.4	0	0	0	112.3	I93 L98 W121 T139 Q140 M145 M146 D147 F150	I93-Y143 HydrophobicContact CB-CE1 4.45Å; I93-Y143 WeakPolarHBondContact CB-OH 3.33Å; I93-Y143 HydrophobicContact CD1-CE2 4.12Å; I93-Y143 VanDerWaalsContact CG1-OH 3.27Å; I93-Y143 WeakPolarHBondContact CG1-OH 3.38Å; I93-Y143 PolarHBondContact N-OH 3.45Å; L98-Y143 HydrophobicContact CD1-CE1 4.19Å; W121-Y143 HydrophobicContact CD2-CE2 4.15Å; W121-Y143 HydrophobicContact CG-CE2 4.38Å; T139-Y143 HydrophobicContact CG2-CD2 4.03Å; T139-Y143 HydrophobicContact CG2-CE2 3.4Å; T139-Y143 WeakPolarHBondContact O-CD2 3.19Å; T139-Y143 PolarHBondContact O-N 3.42Å; Q140-Y143 PolarHBondContact O-N 3.1Å; Y143-M145 PolarHBondContact O-N 3.49Å; Y143-M146 WeakPolarHBondContact O-CA 3.21Å; Y143-M146 WeakPolarHBondContact O-CB 3.43Å; Y143-M146 PolarHBondContact O-N 3.4Å; Y143-D147 PolarHBondContact O-N 3.3Å; Y143-F150 HydrophobicContact CD1-CE1 4.47Å; Y143-F150 HydrophobicContact CD2-CD1 4.18Å; Y143-F150 AromaticContact CD2-CE1 3.55Å; Y143-F150 HydrophobicContact CD2-CE1 3.55Å; Y143-F150 HydrophobicContact CD2-CZ 4.35Å; Y143-F150 HydrophobicContact CE2-CE1 4.37Å; Y143-F150 HydrophobicContact CG-CD1 4.05Å; Y143-F150 AromaticContact CG-CE1 3.61Å; Y143-F150 HydrophobicContact CG-CE1 3.61Å; Y143-F150 HydrophobicContact CG-CZ 4.24Å
144	Q	92.6	Very high	93.6	Very high	8 Å²	8	46.4 Å²	46.4	4%	0.037	22%	0.222	C	C	.	.	H	α-helix	trans	-64.6	-24.6	174	-78.7	175	-106.6	0	0	113.5	Q140 A141 M142 M146 D147 Q148 S176	Q140-Q144 PolarHBondContact O-N 3.28Å; A141-Q144 PolarHBondContact O-N 2.99Å; M142-Q144 VanDerWaalsContact C-N 3.29Å; M142-Q144 PolarHBondContact O-N 3.06Å; Q144-M146 PolarHBondContact O-N 2.98Å; Q144-D147 WeakPolarHBondContact CA-O 3.49Å; Q144-D147 CarbonylContact O-C 3.54Å; Q144-D147 PolarHBondContact O-N 2.76Å; Q144-Q148 VanDerWaalsContact O-CD 3.29Å; Q144-Q148 PolarHBondContact O-N 3.25Å; Q144-Q148 PolarHBondContact O-NE2 3.14Å; Q144-S176 PolarHBondContact NE2-O 3.17Å; Q144-S176 PolarHBondContact OE1-O 2.99Å
145	M	90.6	Very high	93.9	Very high	130 Å²	130	38 Å²	38	64%	0.64	18%	0.183	S	C	*	.	H	α-helix	trans	-64	-29.2	170.5	-62.5	-177	178.9	0	0	112.1	A141 M142 Y143 Y185	A141-M145 WeakPolarHBondContact O-CG 3.47Å; A141-M145 PolarHBondContact O-N 3.05Å; A141-M145 VanDerWaalsContact O-N 3.15Å; M142-M145 WeakPolarHBondContact O-CB 3.33Å; M142-M145 PolarHBondContact O-N 3.21Å; M142-M145 VanDerWaalsContact O-N 3.14Å; Y143-M145 PolarHBondContact O-N 3.49Å; M145-Y185 WeakPolarHBondContact CE-OH 3.43Å
146	M	88.4	Confident	94.2	Very high	141 Å²	141	34.9 Å²	34.9	70%	0.695	16%	0.164	S	C	*	.	H	α-helix	trans	-82.3	-43.4	175.6	-58.2	176.1	62.6	0	0	111.1	L98 Y143 Q144	L98-M146 HydrophobicContact CD1-CE 4.18Å; L98-M146 HydrophobicContact CD1-SD 4.34Å; Y143-M146 WeakPolarHBondContact O-CA 3.21Å; Y143-M146 WeakPolarHBondContact O-CB 3.43Å; Y143-M146 PolarHBondContact O-N 3.4Å; Q144-M146 PolarHBondContact O-N 2.98Å
147	D	90.5	Very high	94.3	Very high	41 Å²	41	34.8 Å²	34.8	22%	0.219	16%	0.163	C	C	.	.			trans	-147.9	115.7	179.7	172.8	21.7	0	0	0	111.7	R117 Y143 Q144 G149 F150	R117-D147 IonicContact CZ-OD2 3.01Å; R117-D147 IonicContact NH1-OD2 3.24Å; R117-D147 PolarHBondContact NH1-OD2 3.02Å; R117-D147 IonicContact NH2-OD1 2.99Å; R117-D147 PolarHBondContact NH2-OD1 2.85Å; R117-D147 IonicContact NH2-OD2 3.46Å; R117-D147 PolarHBondContact NH2-OD2 3.38Å; Y143-D147 PolarHBondContact O-N 3.3Å; Q144-D147 WeakPolarHBondContact CA-O 3.49Å; Q144-D147 CarbonylContact O-C 3.54Å; Q144-D147 PolarHBondContact O-N 2.76Å; D147-G149 PolarHBondContact O-N 2.71Å; D147-G149 PolarHBondContact OD1-N 3.42Å; D147-F150 HydrophobicContact CB-CB 4.36Å; D147-F150 WeakPolarHBondContact O-CB 3.37Å; D147-F150 PolarHBondContact O-N 2.97Å
148	Q	90.2	Very high	94.4	Very high	83 Å²	83	37.1 Å²	37.1	39%	0.388	17%	0.173	S	C	.	.	T	Hydrogen-bonded Turn	trans	-65.4	-21.3	-179.1	-61.8	-63.2	-34	0	0	113.4	V6 Q144 F150 Q175	V6-Q148 VanDerWaalsContact CG1-OE1 3.23Å; Q144-Q148 VanDerWaalsContact O-CD 3.29Å; Q144-Q148 PolarHBondContact O-N 3.25Å; Q144-Q148 PolarHBondContact O-NE2 3.14Å; Q148-F150 VanDerWaalsContact C-N 3.26Å; Q148-F150 PolarHBondContact O-N 2.9Å; Q148-Q175 PolarHBondContact O-NE2 2.88Å
149	G	92	Very high	94.6	Very high	4 Å²	4	30.4 Å²	30.4	4%	0.041	15%	0.15	C	C	.	.	T	Hydrogen-bonded Turn	trans	-80.4	-2.3	174.8	0	0	0	0	0	114.1	D147	D147-G149 PolarHBondContact O-N 2.71Å; D147-G149 PolarHBondContact OD1-N 3.42Å
150	F	95.6	Very high	94.6	Very high	11 Å²	11	35.9 Å²	35.9	5%	0.048	18%	0.175	C	C	.	.			trans	-72.2	132.6	-175.2	-158.4	-99	0	0	0	111.8	L37 V118 V119 G120 W121 Q140 Y143 D147 Q148 Q175	L37-F150 HydrophobicContact CD2-CZ 4.17Å; V118-F150 HydrophobicContact CG1-CE2 4Å; V119-F150 WeakPolarHBondContact O-CA 3.3Å; G120-F150 VanDerWaalsContact C-CZ 3.48Å; W121-F150 HydrophobicContact CB-CE1 4.09Å; W121-F150 HydrophobicContact CB-CZ 4.07Å; W121-F150 AromaticContact CD1-CD1 3.89Å; W121-F150 AromaticContact CD1-CE1 3.18Å; W121-F150 AromaticContact CG-CE1 3.83Å; W121-F150 HydrophobicContact CG-CE1 3.83Å; W121-F150 HydrophobicContact CG-CZ 4.31Å; W121-F150 AromaticContact NE1-CE1 3.92Å; Q140-F150 PolarHBondContact NE2-O 3.24Å; Y143-F150 HydrophobicContact CD1-CE1 4.47Å; Y143-F150 HydrophobicContact CD2-CD1 4.18Å; Y143-F150 AromaticContact CD2-CE1 3.55Å; Y143-F150 HydrophobicContact CD2-CE1 3.55Å; Y143-F150 HydrophobicContact CD2-CZ 4.35Å; Y143-F150 HydrophobicContact CE2-CE1 4.37Å; Y143-F150 HydrophobicContact CG-CD1 4.05Å; Y143-F150 AromaticContact CG-CE1 3.61Å; Y143-F150 HydrophobicContact CG-CE1 3.61Å; Y143-F150 HydrophobicContact CG-CZ 4.24Å; D147-F150 HydrophobicContact CB-CB 4.36Å; D147-F150 WeakPolarHBondContact O-CB 3.37Å; D147-F150 PolarHBondContact O-N 2.97Å; Q148-F150 VanDerWaalsContact C-N 3.26Å; Q148-F150 PolarHBondContact O-N 2.9Å; F150-Q175 WeakPolarHBondContact O-CG 3.43Å; F150-Q175 PolarHBondContact O-NE2 3.44Å
151	V	97.3	Very high	94.5	Very high	0 Å²	0	38.3 Å²	38.3	0%	0	19%	0.188	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-121.4	148	-177.8	-62.1	0	0	0	0	112.3	V9 V12 V73 V119 G120 W121 L153 Q175 I190	V9-V151 HydrophobicContact CB-CG1 4.27Å; V9-V151 HydrophobicContact CG1-CG1 4.27Å; V9-V151 HydrophobicContact CG2-CG1 4.14Å; V12-V151 HydrophobicContact CG2-CB 4.36Å; V12-V151 HydrophobicContact CG2-CG1 4.06Å; V12-V151 HydrophobicContact CG2-CG2 4.15Å; V73-V151 HydrophobicContact CG1-CG2 4.31Å; V73-V151 HydrophobicContact CG2-CG1 4.19Å; V119-V151 PolarHBondContact O-N 2.86Å; V119-V151 VanDerWaalsContact O-N 3.14Å; G120-V151 CarbonylContact C-O 3.47Å; G120-V151 WeakPolarHBondContact CA-O 3.34Å; W121-V151 PolarHBondContact N-O 2.93Å; V151-L153 HydrophobicContact CG2-CD1 4.18Å; V151-Q175 HydrophobicContact CG1-CG 4.23Å; V151-I190 HydrophobicContact CG1-CD1 3.75Å
152	G	97.8	Very high	94.5	Very high	0 Å²	0	46.6 Å²	46.6	0%	0	22%	0.223	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-105.8	139.4	174.1	0	0	0	0	0	111.8	C173 F174	G152-C173 CarbonylContact O-C 3.36Å; G152-C173 VanDerWaalsContact O-CA 3.29Å; G152-C173 WeakPolarHBondContact O-CA 3.42Å; G152-C173 PolarHBondContact O-SG 3.38Å; G152-C173 VanDerWaalsContact O-SG 3.39Å; G152-F174 PolarHBondContact N-O 3.42Å; G152-F174 WeakPolarHBondContact O-CD1 3.25Å; G152-F174 PolarHBondContact O-N 2.94Å
153	L	98.5	Very high	94.7	Very high	2 Å²	2	49.6 Å²	49.6	1%	0.01	24%	0.241	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-120.5	141.7	173.3	-66.9	85.9	0	0	0	110.4	L14 I75 W121 Y122 H123 V151 F155 T172 C173 I192	L14-L153 HydrophobicContact CD2-CD2 4.09Å; I75-L153 HydrophobicContact CD1-CD1 3.94Å; I75-L153 HydrophobicContact CD1-CD2 4.38Å; W121-L153 PolarHBondContact O-N 2.9Å; Y122-L153 WeakPolarHBondContact CA-O 3.34Å; H123-L153 PolarHBondContact N-O 2.9Å; H123-L153 VanDerWaalsContact N-O 3.12Å; V151-L153 HydrophobicContact CG2-CD1 4.18Å; L153-F155 HydrophobicContact CB-CE2 4.27Å; L153-T172 WeakPolarHBondContact CA-O 3.22Å; L153-C173 HydrophobicContact CG-CB 4.47Å; L153-I192 HydrophobicContact CD2-CD1 3.69Å
154	I	98.6	Very high	94.8	Very high	0 Å²	0	53 Å²	53	0%	0	26%	0.263	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-126.8	132.6	176.1	-53.6	-174.7	0	0	0	109.3	H123 H125 V130 P132 Y171 T172 F174	H123-I154 WeakPolarHBondContact O-CA 3.41Å; H125-I154 HydrophobicContact CB-CG2 4.22Å; V130-I154 HydrophobicContact CG2-CB 4.43Å; V130-I154 HydrophobicContact CG2-CG2 4.41Å; P132-I154 HydrophobicContact CB-CD1 3.68Å; I154-Y171 CarbonylContact O-C 3.58Å; I154-Y171 WeakPolarHBondContact O-CA 3.31Å; I154-T172 HydrophobicContact CB-CG2 4.11Å; I154-T172 HydrophobicContact CG1-CG2 4.47Å; I154-T172 PolarHBondContact N-O 2.95Å; I154-T172 PolarHBondContact O-N 3.45Å; I154-F174 HydrophobicContact CD1-CD1 4.34Å; I154-F174 HydrophobicContact CD1-CE1 3.73Å; I154-F174 HydrophobicContact CD1-CZ 4.33Å; I154-F174 HydrophobicContact CG1-CD1 4.31Å; I154-F174 HydrophobicContact CG1-CE1 3.74Å
155	F	98.6	Very high	94.9	Very high	1 Å²	1	61 Å²	61	0%	0.004	30%	0.297	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-110.5	110.1	173.5	-69.1	-97.6	0	0	0	110	F19 C22 A26 Y122 H123 S124 H125 L153 L170	F19-F155 AromaticContact CD2-CE1 3.95Å; F19-F155 HydrophobicContact CD2-CE1 3.95Å; F19-F155 HydrophobicContact CD2-CZ 4.27Å; F19-F155 AromaticContact CE2-CE1 3.67Å; F19-F155 HydrophobicContact CE2-CE1 3.67Å; F19-F155 HydrophobicContact CE2-CZ 4.38Å; F19-F155 HydrophobicContact CZ-CE1 4.43Å; C22-F155 HydrophobicContact CB-CE1 4.15Å; C22-F155 HydrophobicContact CB-CE2 3.74Å; C22-F155 HydrophobicContact CB-CZ 3.53Å; A26-F155 HydrophobicContact CB-CB 3.88Å; A26-F155 HydrophobicContact CB-CG 4.42Å; Y122-F155 HydrophobicContact CD2-CD2 4.23Å; Y122-F155 HydrophobicContact CD2-CE2 4.3Å; Y122-F155 HydrophobicContact CG-CE2 4.44Å; H123-F155 PolarHBondContact O-N 2.95Å; S124-F155 CarbonylContact C-O 3.49Å; S124-F155 WeakPolarHBondContact CA-O 3.41Å; H125-F155 PolarHBondContact N-O 2.83Å; L153-F155 HydrophobicContact CB-CE2 4.27Å; F155-L170 CarbonylContact C-O 3.51Å
156	S	98.1	Very high	95.1	Very high	0 Å²	0	57.8 Å²	57.8	0%	0	29%	0.285	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-88.6	117.4	172.5	174.1	0	0	0	0	109.7	H125 I128 I159 V169 L170	H125-S156 WeakPolarHBondContact O-CA 3.37Å; I128-S156 PolarHBondContact O-OG 3.42Å; S156-I159 WeakPolarHBondContact OG-CG1 3.29Å; S156-V169 WeakPolarHBondContact O-CA 3.39Å; S156-L170 PolarHBondContact N-O 3.1Å; S156-L170 PolarHBondContact O-N 3.34Å
157	C	97.6	Very high	95.4	Very high	0 Å²	0	54 Å²	54	0%	0	28%	0.282	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-121.9	162.1	-172.6	-64.6	0	0	0	0	111	L27 H125 H127 I159	L27-C157 HydrophobicContact CD2-CB 4.05Å; H125-C157 PolarHBondContact O-N 3.48Å; H127-C157 PolarHBondContact N-O 3.43Å; C157-I159 PolarHBondContact O-N 3.07Å
158	F	96.8	Very high	95.7	Very high	60 Å²	60	58.2 Å²	58.2	26%	0.263	30%	0.295	S	S	.	.	E	Extended strand (participates in β ladder)	trans	58.2	34.8	177.2	-46.1	-81	0	0	0	113.6	L27 T29 E30 P126 H127 E160	L27-F158 HydrophobicContact CB-CZ 4.46Å; L27-F158 HydrophobicContact CD2-CE1 4.21Å; L27-F158 HydrophobicContact CD2-CE2 4.37Å; L27-F158 HydrophobicContact CD2-CZ 4Å; T29-F158 VanDerWaalsContact O-CE2 3.29Å; T29-F158 WeakPolarHBondContact O-CE2 3.27Å; E30-F158 HydrophobicContact CB-CD1 4.3Å; E30-F158 HydrophobicContact CB-CD2 3.84Å; E30-F158 HydrophobicContact CB-CE1 4.38Å; E30-F158 HydrophobicContact CB-CE2 3.94Å; E30-F158 HydrophobicContact CB-CG 4.04Å; E30-F158 HydrophobicContact CB-CZ 4.19Å; P126-F158 HydrophobicContact CB-CD2 4.09Å; H127-F158 WeakPolarHBondContact CE1-CB 3.37Å; H127-F158 PolarHBondContact CE1-O 3.14Å; H127-F158 PolarHBondContact ND1-O 3.06Å; F158-E160 PolarHBondContact O-N 2.86Å
159	I	96	Very high	96.1	Very high	44 Å²	44	57.5 Å²	57.5	23%	0.226	30%	0.296	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-86.4	111.9	173.7	-53.5	-56.8	0	0	0	108	S156 C157 G167 R168 L170	S156-I159 WeakPolarHBondContact OG-CG1 3.29Å; C157-I159 PolarHBondContact O-N 3.07Å; I159-G167 CarbonylContact O-C 3.57Å; I159-G167 WeakPolarHBondContact O-CA 3.19Å; I159-R168 HydrophobicContact CB-CB 4.2Å; I159-R168 HydrophobicContact CG2-CB 4.38Å; I159-R168 PolarHBondContact N-O 3.23Å; I159-R168 PolarHBondContact O-N 2.99Å; I159-L170 HydrophobicContact CB-CD1 4.48Å; I159-L170 HydrophobicContact CG1-CD1 4.08Å
160	E	94.7	Very high	96.4	Very high	126 Å²	126	60.7 Å²	60.7	59%	0.589	31%	0.312	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-121.7	125.7	177.8	-170.9	-175.1	174.7	0	0	110.1	F158 K162	F158-E160 PolarHBondContact O-N 2.86Å; E160-K162 PolarHBondContact O-N 3.16Å
161	D	93.1	Very high	96.5	Very high	51 Å²	51	64.6 Å²	64.6	27%	0.273	33%	0.327	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-83.2	106.7	165.5	-176.2	-19.9	0	0	0	108.9	N163 T164 K165 T166	D161-N163 PolarHBondContact O-N 3.39Å; D161-N163 WeakPolarHBondContact OD1-CB 3.41Å; D161-N163 PolarHBondContact OD1-N 3.28Å; D161-T164 WeakPolarHBondContact CB-OG1 3.42Å; D161-T164 PolarHBondContact O-N 2.98Å; D161-T164 PolarHBondContact OD1-N 3.47Å; D161-K165 VanDerWaalsContact O-CA 3.3Å; D161-K165 WeakPolarHBondContact O-CA 3.14Å; D161-K165 PolarHBondContact O-N 3.35Å; D161-T166 PolarHBondContact N-O 3.14Å; D161-T166 VanDerWaalsContact N-O 3.1Å
162	K	92.4	Very high	96.6	Very high	179 Å²	179	65.6 Å²	65.6	78%	0.778	33%	0.333	S	S	*	.	T	Hydrogen-bonded Turn	trans	-60.7	-25.2	-178	-65.5	-175.6	179.2	-179.3	0	113.5	E160	E160-K162 PolarHBondContact O-N 3.16Å
163	N	95.4	Very high	96.6	Very high	155 Å²	155	65.6 Å²	65.6	83%	0.829	33%	0.333	S	S	*	.	T	Hydrogen-bonded Turn	trans	-80.5	-40.3	-179.6	-60	-47.2	0	0	0	111.1	D161	D161-N163 PolarHBondContact O-N 3.39Å; D161-N163 WeakPolarHBondContact OD1-CB 3.41Å; D161-N163 PolarHBondContact OD1-N 3.28Å
164	T	95.8	Very high	96.6	Very high	78 Å²	78	65.5 Å²	65.5	48%	0.479	33%	0.333	S	S	.	.	T	Hydrogen-bonded Turn	trans	-95.8	-9.1	-178.3	71.1	0	0	0	0	113.7	D161 T166	D161-T164 WeakPolarHBondContact CB-OG1 3.42Å; D161-T164 PolarHBondContact O-N 2.98Å; D161-T164 PolarHBondContact OD1-N 3.47Å; T164-T166 WeakPolarHBondContact CB-OG1 3.12Å; T164-T166 PolarHBondContact O-N 3.29Å; T164-T166 PolarHBondContact O-OG1 2.78Å; T164-T166 VanDerWaalsContact OG1-CB 3.29Å; T164-T166 WeakPolarHBondContact OG1-CB 3.23Å; T164-T166 PolarHBondContact OG1-N 3.02Å; T164-T166 PolarHBondContact OG1-OG1 2.84Å
165	K	95	Very high	96.5	Very high	174 Å²	174	65.6 Å²	65.6	76%	0.757	33%	0.333	S	S	*	.	T	Hydrogen-bonded Turn	trans	52.7	35.7	-171.7	-57.3	-174.2	178.3	-174.8	0	112.6	D161	D161-K165 VanDerWaalsContact O-CA 3.3Å; D161-K165 WeakPolarHBondContact O-CA 3.14Å; D161-K165 PolarHBondContact O-N 3.35Å
166	T	95.5	Very high	96.3	Very high	64 Å²	64	65.8 Å²	65.8	39%	0.393	33%	0.334	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-102.1	115.2	-178.8	-49.2	0	0	0	0	109.5	D161 T164 R168	D161-T166 PolarHBondContact N-O 3.14Å; D161-T166 VanDerWaalsContact N-O 3.1Å; T164-T166 WeakPolarHBondContact CB-OG1 3.12Å; T164-T166 PolarHBondContact O-N 3.29Å; T164-T166 PolarHBondContact O-OG1 2.78Å; T164-T166 VanDerWaalsContact OG1-CB 3.29Å; T164-T166 WeakPolarHBondContact OG1-CB 3.23Å; T164-T166 PolarHBondContact OG1-N 3.02Å; T164-T166 PolarHBondContact OG1-OG1 2.84Å; T166-R168 HydrophobicContact CG2-CG 4.47Å
167	G	95.1	Very high	96	Very high	61 Å²	61	68.8 Å²	68.8	63%	0.629	35%	0.35	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-77.3	140.5	168.2	0	0	0	0	0	111.2	I159	I159-G167 CarbonylContact O-C 3.57Å; I159-G167 WeakPolarHBondContact O-CA 3.19Å
168	R	96.3	Very high	95.5	Very high	129 Å²	129	74.7 Å²	74.7	49%	0.487	38%	0.378	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-132.7	141.2	177.8	-54.7	-176.8	-164.9	-176.9	6.2	109.9	I159 T166 L170	I159-R168 HydrophobicContact CB-CB 4.2Å; I159-R168 HydrophobicContact CG2-CB 4.38Å; I159-R168 PolarHBondContact N-O 3.23Å; I159-R168 PolarHBondContact O-N 2.99Å; T166-R168 HydrophobicContact CG2-CG 4.47Å; R168-L170 HydrophobicContact CB-CD1 4.13Å
169	V	97.8	Very high	94.8	Very high	69 Å²	69	72.4 Å²	72.4	42%	0.418	37%	0.37	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-121.2	128.8	165	179.2	0	0	0	0	106.3	L23 S156	L23-V169 HydrophobicContact CD1-CG1 3.74Å; S156-V169 WeakPolarHBondContact O-CA 3.39Å
170	L	98.3	Very high	93.7	Very high	71 Å²	71	79.9 Å²	79.9	37%	0.372	40%	0.404	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-122.7	149.8	179.1	-53.1	99.1	0	0	0	109.1	V130 F155 S156 I159 R168	V130-L170 HydrophobicContact CB-CB 4.05Å; V130-L170 HydrophobicContact CG1-CB 4.33Å; V130-L170 HydrophobicContact CG2-CB 4.19Å; F155-L170 CarbonylContact C-O 3.51Å; S156-L170 PolarHBondContact N-O 3.1Å; S156-L170 PolarHBondContact O-N 3.34Å; I159-L170 HydrophobicContact CB-CD1 4.48Å; I159-L170 HydrophobicContact CG1-CD1 4.08Å; R168-L170 HydrophobicContact CB-CD1 4.13Å
171	Y	98.4	Very high	92.7	Very high	92 Å²	92	83.8 Å²	83.8	36%	0.361	42%	0.419	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-137.6	153.2	172.7	58.2	-87.9	0	0	0	110.5	F19 I154 I192 I194	F19-Y171 AromaticContact CE2-CD1 3.77Å; F19-Y171 HydrophobicContact CE2-CD1 3.77Å; F19-Y171 HydrophobicContact CE2-CD2 4.48Å; F19-Y171 AromaticContact CE2-CE1 3.85Å; F19-Y171 HydrophobicContact CE2-CE1 3.85Å; F19-Y171 HydrophobicContact CE2-CG 4.11Å; F19-Y171 HydrophobicContact CZ-CD1 4.09Å; F19-Y171 HydrophobicContact CZ-CE1 4.01Å; I154-Y171 CarbonylContact O-C 3.58Å; I154-Y171 WeakPolarHBondContact O-CA 3.31Å; Y171-I192 HydrophobicContact CD2-CD1 4.43Å; Y171-I192 HydrophobicContact CD2-CG2 4.14Å; Y171-I192 HydrophobicContact CE2-CG2 3.94Å; Y171-I194 HydrophobicContact CE1-CD1 4.43Å; Y171-I194 HydrophobicContact CE2-CD1 4.4Å; Y171-I194 WeakPolarHBondContact OH-CD1 3.45Å
172	T	98.4	Very high	91.8	Very high	21 Å²	21	83.7 Å²	83.7	13%	0.129	42%	0.422	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-144.7	161.8	176.3	-161.5	0	0	0	0	110.6	V130 L153 I154	V130-T172 HydrophobicContact CG2-CG2 3.84Å; V130-T172 WeakPolarHBondContact O-CG2 3.07Å; L153-T172 WeakPolarHBondContact CA-O 3.22Å; I154-T172 HydrophobicContact CB-CG2 4.11Å; I154-T172 HydrophobicContact CG1-CG2 4.47Å; I154-T172 PolarHBondContact N-O 2.95Å; I154-T172 PolarHBondContact O-N 3.45Å
173	C	98.3	Very high	91.1	Very high	0 Å²	0	80.2 Å²	80.2	0%	0	42%	0.42	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-128.6	140	172.9	-174	0	0	0	0	109.8	V12 G152 L153 I190 I192	V12-C173 VanDerWaalsContact CG2-SG 3.55Å; G152-C173 CarbonylContact O-C 3.36Å; G152-C173 VanDerWaalsContact O-CA 3.29Å; G152-C173 WeakPolarHBondContact O-CA 3.42Å; G152-C173 PolarHBondContact O-SG 3.38Å; G152-C173 VanDerWaalsContact O-SG 3.39Å; L153-C173 HydrophobicContact CG-CB 4.47Å; C173-I190 PolarHBondContact O-N 2.82Å; C173-I192 HydrophobicContact CB-CB 4.03Å; C173-I192 HydrophobicContact CB-CD1 4.32Å; C173-I192 HydrophobicContact CB-CG2 4.37Å
174	F	97.7	Very high	90.6	Very high	1 Å²	1	79.6 Å²	79.6	0%	0.004	41%	0.412	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-148.5	157.9	-175.7	73.9	-74.4	0	0	0	113.1	W121 P132 D136 Q140 G152 I154 I188	W121-F174 HydrophobicContact CZ2-CZ 4.33Å; P132-F174 HydrophobicContact CB-CD1 4.43Å; P132-F174 HydrophobicContact CB-CD2 4.19Å; P132-F174 HydrophobicContact CB-CE1 4.17Å; P132-F174 HydrophobicContact CB-CE2 3.89Å; P132-F174 HydrophobicContact CB-CG 4.45Å; P132-F174 HydrophobicContact CB-CZ 3.89Å; P132-F174 HydrophobicContact CG-CD1 4.47Å; P132-F174 HydrophobicContact CG-CD2 4.1Å; P132-F174 HydrophobicContact CG-CE2 4.31Å; P132-F174 HydrophobicContact CG-CG 4.19Å; D136-F174 HydrophobicContact CB-CZ 4.15Å; Q140-F174 HydrophobicContact CB-CE2 3.65Å; Q140-F174 HydrophobicContact CB-CZ 4.14Å; Q140-F174 HydrophobicContact CG-CD2 4.16Å; Q140-F174 HydrophobicContact CG-CE2 3.76Å; Q140-F174 HydrophobicContact CG-CZ 4.42Å; G152-F174 PolarHBondContact N-O 3.42Å; G152-F174 WeakPolarHBondContact O-CD1 3.25Å; G152-F174 PolarHBondContact O-N 2.94Å; I154-F174 HydrophobicContact CD1-CD1 4.34Å; I154-F174 HydrophobicContact CD1-CE1 3.73Å; I154-F174 HydrophobicContact CD1-CZ 4.33Å; I154-F174 HydrophobicContact CG1-CD1 4.31Å; I154-F174 HydrophobicContact CG1-CE1 3.74Å; F174-I188 CarbonylContact C-O 3.59Å; F174-I188 VanDerWaalsContact CA-O 3.22Å; F174-I188 WeakPolarHBondContact CA-O 3.46Å; F174-I188 WeakPolarHBondContact CB-O 3.29Å
175	Q	96.7	Very high	90.3	Very high	1 Å²	1	79.9 Å²	79.9	1%	0.005	41%	0.405	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-122.4	174.3	161.7	-93.2	-179.2	-18	0	0	109.4	V9 Q148 F150 V151 I188 I190	V9-Q175 VanDerWaalsContact N-OE1 3.1Å; Q148-Q175 PolarHBondContact O-NE2 2.88Å; F150-Q175 WeakPolarHBondContact O-CG 3.43Å; F150-Q175 PolarHBondContact O-NE2 3.44Å; V151-Q175 HydrophobicContact CG1-CG 4.23Å; Q175-I188 HydrophobicContact CB-CG2 3.62Å; Q175-I188 PolarHBondContact N-O 3.46Å; Q175-I188 WeakPolarHBondContact O-CG2 3.33Å; Q175-I188 PolarHBondContact O-N 2.89Å; Q175-I190 HydrophobicContact CB-CD1 3.71Å; Q175-I190 HydrophobicContact CB-CG1 4.43Å; Q175-I190 HydrophobicContact CG-CD1 3.41Å; Q175-I190 VanDerWaalsContact CG-CD1 3.41Å
176	S	94.6	Very high	90.1	Very high	5 Å²	5	76.9 Å²	76.9	4%	0.035	39%	0.394	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-116.1	137.6	174.6	-59.2	0	0	0	0	110.4	V137 Q140 Q144 E186	V137-S176 WeakPolarHBondContact CG1-OG 3.36Å; V137-S176 PolarHBondContact O-OG 3.4Å; Q140-S176 WeakPolarHBondContact CB-OG 3.42Å; Q140-S176 VanDerWaalsContact CG-OG 3.29Å; Q140-S176 WeakPolarHBondContact CG-OG 3.33Å; Q144-S176 PolarHBondContact NE2-O 3.17Å; Q144-S176 PolarHBondContact OE1-O 2.99Å; S176-E186 WeakPolarHBondContact CA-O 3.41Å
177	I	92	Very high	90	Very high	64 Å²	64	78.2 Å²	78.2	33%	0.328	39%	0.392	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-123.5	145.1	176	53	167.8	0	0	0	109.6	A179 Y185 E186 I188	I177-A179 PolarHBondContact O-N 2.95Å; I177-Y185 CarbonylContact O-C 3.59Å; I177-Y185 WeakPolarHBondContact O-CA 3.36Å; I177-E186 HydrophobicContact CG1-CB 4.38Å; I177-E186 PolarHBondContact N-O 3.39Å; I177-E186 PolarHBondContact O-N 3.11Å; I177-I188 HydrophobicContact CD1-CB 4.41Å; I177-I188 HydrophobicContact CG1-CB 4.41Å; I177-I188 HydrophobicContact CG2-CB 4.48Å; I177-I188 HydrophobicContact CG2-CG2 3.93Å
178	Q	86.6	Confident	90	Very high	124 Å²	124	78 Å²	78	58%	0.579	38%	0.376	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-73.5	128.6	174.9	-171.9	170.2	22.2	0	0	109.6	Y185	Q178-Y185 HydrophobicContact CB-CD1 4.34Å; Q178-Y185 HydrophobicContact CB-CE1 4.16Å
179	A	83.1	Confident	90	Very high	11 Å²	11	77 Å²	77	9%	0.091	38%	0.376	C	S	.	.			trans	-62.9	140.3	178.3	0	0	0	0	0	111	I177 K181 S182 E184 E186	I177-A179 PolarHBondContact O-N 2.95Å; A179-K181 PolarHBondContact O-N 3.28Å; A179-K181 VanDerWaalsContact O-N 3.12Å; A179-S182 VanDerWaalsContact CB-OG 3.32Å; A179-S182 WeakPolarHBondContact CB-OG 3.28Å; A179-E184 WeakPolarHBondContact CB-O 3.37Å; A179-E184 PolarHBondContact N-O 3.22Å; A179-E186 HydrophobicContact CB-CG 4.15Å; A179-E186 WeakPolarHBondContact CB-OE1 3.36Å
180	Q	72.7	Confident	89.9	Confident	202 Å²	202	74 Å²	74	94%	0.944	36%	0.358	S	S	*	.	T	Hydrogen-bonded Turn	trans	-65.7	-18.9	-175.6	-67.1	-174.6	-10.8	0	0	114
181	K	73.9	Confident	89.9	Confident	208 Å²	208	74 Å²	74	90%	0.904	36%	0.363	S	S	*	.	T	Hydrogen-bonded Turn	trans	-123.9	-1.3	-171.8	-63.8	-175.5	-178.4	177.2	0	114.3	A179	A179-K181 PolarHBondContact O-N 3.28Å; A179-K181 VanDerWaalsContact O-N 3.12Å
182	S	74.5	Confident	89.9	Confident	48 Å²	48	71.3 Å²	71.3	34%	0.336	35%	0.354	S	S	.	.	S	Bend	trans	-142.3	162.1	179.3	67	0	0	0	0	110.8	A179 E184	A179-S182 VanDerWaalsContact CB-OG 3.32Å; A179-S182 WeakPolarHBondContact CB-OG 3.28Å; S182-E184 PolarHBondContact O-N 2.94Å; S182-E184 PolarHBondContact OG-N 3.48Å
183	S	76.3	Confident	89.8	Confident	107 Å²	107	75.1 Å²	75.1	75%	0.748	37%	0.37	S	S	*	.	S	Bend	trans	-78	13.4	170.3	-56.6	0	0	0	0	112.7
184	E	85.6	Confident	89.8	Confident	142 Å²	142	78.1 Å²	78.1	66%	0.664	39%	0.385	S	S	*	.			trans	-91.8	154.3	-179.6	-60.7	-173.6	159.2	0	0	111	A179 S182	A179-E184 WeakPolarHBondContact CB-O 3.37Å; A179-E184 PolarHBondContact N-O 3.22Å; S182-E184 PolarHBondContact O-N 2.94Å; S182-E184 PolarHBondContact OG-N 3.48Å
185	Y	88.9	Confident	89.8	Confident	83 Å²	83	80.6 Å²	80.6	33%	0.325	40%	0.4	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-99.2	136.3	176.3	-68.8	-81.5	0	0	0	109.7	V137 A141 M145 I177 Q178	V137-Y185 WeakPolarHBondContact CG1-O 3.32Å; A141-Y185 HydrophobicContact CB-CD1 3.47Å; A141-Y185 VanDerWaalsContact CB-CD1 3.47Å; A141-Y185 HydrophobicContact CB-CD2 3.74Å; A141-Y185 HydrophobicContact CB-CE1 3.65Å; A141-Y185 HydrophobicContact CB-CE2 3.9Å; A141-Y185 HydrophobicContact CB-CG 3.52Å; M145-Y185 WeakPolarHBondContact CE-OH 3.43Å; I177-Y185 CarbonylContact O-C 3.59Å; I177-Y185 WeakPolarHBondContact O-CA 3.36Å; Q178-Y185 HydrophobicContact CB-CD1 4.34Å; Q178-Y185 HydrophobicContact CB-CE1 4.16Å
186	E	92.1	Very high	89.9	Confident	111 Å²	111	85.9 Å²	85.9	52%	0.519	44%	0.435	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-111.3	150	175.6	-69.9	176.2	-168.7	0	0	109.9	S176 I177 A179	S176-E186 WeakPolarHBondContact CA-O 3.41Å; I177-E186 HydrophobicContact CG1-CB 4.38Å; I177-E186 PolarHBondContact N-O 3.39Å; I177-E186 PolarHBondContact O-N 3.11Å; A179-E186 HydrophobicContact CB-CG 4.15Å; A179-E186 WeakPolarHBondContact CB-OE1 3.36Å
187	R	93.6	Very high	89.9	Confident	93 Å²	93	89.2 Å²	89.2	35%	0.351	45%	0.45	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-76.6	140.8	175.4	76.1	-175.1	-177.2	85.7	0.1	110.6	W131 P132 V137 E189	W131-R187 VanDerWaalsContact CE3-CZ 3.44Å; W131-R187 VanDerWaalsContact CE3-NH1 3.33Å; P132-R187 HydrophobicContact CG-CB 4.1Å; P132-R187 HydrophobicContact CG-CG 4.44Å; V137-R187 HydrophobicContact CG2-CB 3.89Å; R187-E189 IonicContact CZ-OE1 3.43Å; R187-E189 IonicContact NH1-OE1 2.69Å; R187-E189 PolarHBondContact NH1-OE1 3.33Å; R187-E189 IonicContact NH2-OE1 3.25Å; R187-E189 PolarHBondContact NH2-OE1 3.37Å
188	I	94.7	Very high	90	Very high	57 Å²	57	92.1 Å²	92.1	29%	0.292	47%	0.47	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-119.8	130.6	164.9	-175.8	169	0	0	0	108.6	F174 Q175 I177	F174-I188 CarbonylContact C-O 3.59Å; F174-I188 VanDerWaalsContact CA-O 3.22Å; F174-I188 WeakPolarHBondContact CA-O 3.46Å; F174-I188 WeakPolarHBondContact CB-O 3.29Å; Q175-I188 HydrophobicContact CB-CG2 3.62Å; Q175-I188 PolarHBondContact N-O 3.46Å; Q175-I188 WeakPolarHBondContact O-CG2 3.33Å; Q175-I188 PolarHBondContact O-N 2.89Å; I177-I188 HydrophobicContact CD1-CB 4.41Å; I177-I188 HydrophobicContact CG1-CB 4.41Å; I177-I188 HydrophobicContact CG2-CB 4.48Å; I177-I188 HydrophobicContact CG2-CG2 3.93Å
189	E	96.1	Very high	90.5	Very high	106 Å²	106	90.6 Å²	90.6	50%	0.495	47%	0.469	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-77.5	135.3	177.2	-67.9	176.4	-161.8	0	0	109.9	W131 R187	W131-E189 VanDerWaalsContact CH2-OE1 3.31Å; W131-E189 WeakPolarHBondContact CH2-OE1 3.28Å; W131-E189 HydrophobicContact CZ3-CG 4.45Å; W131-E189 WeakPolarHBondContact CZ3-OE1 3.27Å; R187-E189 IonicContact CZ-OE1 3.43Å; R187-E189 IonicContact NH1-OE1 2.69Å; R187-E189 PolarHBondContact NH1-OE1 3.33Å; R187-E189 IonicContact NH2-OE1 3.25Å; R187-E189 PolarHBondContact NH2-OE1 3.37Å
190	I	96.4	Very high	91.1	Very high	8 Å²	8	91.7 Å²	91.7	4%	0.041	47%	0.474	C	S	.	.			trans	-111.3	127.1	173.8	-57.3	172.9	0	0	0	108.3	V9 V12 V151 C173 Q175 I192	V9-I190 HydrophobicContact CB-CD1 4.02Å; V9-I190 HydrophobicContact CG1-CD1 4.4Å; V9-I190 HydrophobicContact CG1-CG2 4.15Å; V12-I190 HydrophobicContact CG2-CG2 3.87Å; V151-I190 HydrophobicContact CG1-CD1 3.75Å; C173-I190 PolarHBondContact O-N 2.82Å; Q175-I190 HydrophobicContact CB-CD1 3.71Å; Q175-I190 HydrophobicContact CB-CG1 4.43Å; Q175-I190 HydrophobicContact CG-CD1 3.41Å; Q175-I190 VanDerWaalsContact CG-CD1 3.41Å; I190-I192 PolarHBondContact O-N 2.89Å
191	P	97.3	Very high	92.2	Very high	71 Å²	71	83.3 Å²	83.3	46%	0.461	44%	0.441	S	S	.	.			trans	-53.3	127.2	171.2	-25.6	33.6	0	0	0	111.6	Q10 A11 V12	Q10-P191 WeakPolarHBondContact O-CD 3.34Å; A11-P191 CarbonylContact C-O 3.58Å; A11-P191 WeakPolarHBondContact CA-O 3.36Å; V12-P191 PolarHBondContact N-O 3.37Å
192	I	97.6	Very high	93.3	Very high	35 Å²	35	80.4 Å²	80.4	18%	0.179	43%	0.428	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-114.6	131.4	175.8	-175.9	169.6	0	0	0	109.9	V12 L14 L153 Y171 C173 I190	V12-I192 HydrophobicContact CB-CG1 4.4Å; V12-I192 HydrophobicContact CG1-CG1 4.46Å; V12-I192 CarbonylContact O-C 3.56Å; V12-I192 WeakPolarHBondContact O-CA 2.99Å; L14-I192 HydrophobicContact CB-CD1 4.22Å; L14-I192 HydrophobicContact CB-CG1 4.4Å; L14-I192 HydrophobicContact CD2-CD1 4.06Å; L153-I192 HydrophobicContact CD2-CD1 3.69Å; Y171-I192 HydrophobicContact CD2-CD1 4.43Å; Y171-I192 HydrophobicContact CD2-CG2 4.14Å; Y171-I192 HydrophobicContact CE2-CG2 3.94Å; C173-I192 HydrophobicContact CB-CB 4.03Å; C173-I192 HydrophobicContact CB-CD1 4.32Å; C173-I192 HydrophobicContact CB-CG2 4.37Å; I190-I192 PolarHBondContact O-N 2.89Å
193	H	97.9	Very high	94.3	Very high	101 Å²	101	79.4 Å²	79.4	47%	0.468	42%	0.421	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-120.7	129.4	176.5	-58.9	-70.7	0	0	0	109.5	V12 H13 L14	V12-H193 PolarHBondContact O-N 2.97Å; H13-H193 CarbonylContact C-O 3.54Å; H13-H193 WeakPolarHBondContact CA-O 3.43Å; H13-H193 AromaticContact CD2-CD2 3.81Å; H13-H193 AromaticContact NE2-CD2 3.77Å; L14-H193 PolarHBondContact N-O 3.15Å
194	I	98.3	Very high	95.3	Very high	63 Å²	63	74.6 Å²	74.6	32%	0.323	39%	0.387	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-84.1	117	172.8	-59.5	176.4	0	0	0	107.9	L14 F19 Y171	L14-I194 CarbonylContact O-C 3.46Å; L14-I194 VanDerWaalsContact O-CA 3.28Å; L14-I194 WeakPolarHBondContact O-CA 3.47Å; F19-I194 HydrophobicContact CD1-CD1 4.33Å; F19-I194 HydrophobicContact CD2-CD1 3.77Å; F19-I194 HydrophobicContact CD2-CG1 4.36Å; F19-I194 HydrophobicContact CE1-CD1 4.33Å; F19-I194 HydrophobicContact CE2-CD1 3.76Å; F19-I194 HydrophobicContact CG-CD1 4.06Å; F19-I194 HydrophobicContact CZ-CD1 4.06Å; Y171-I194 HydrophobicContact CE1-CD1 4.43Å; Y171-I194 HydrophobicContact CE2-CD1 4.4Å; Y171-I194 WeakPolarHBondContact OH-CD1 3.45Å
195	V	97.7	Very high	95.9	Very high	52 Å²	52	71 Å²	71	32%	0.315	37%	0.372	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-86.2	121.5	176.7	-178.5	0	0	0	0	108.2	H13 L14 S16 H197	H13-V195 HydrophobicContact CB-CG2 3.77Å; L14-V195 PolarHBondContact O-N 2.88Å; S16-V195 PolarHBondContact N-O 3.43Å; S16-V195 PolarHBondContact OG-O 3.2Å; V195-H197 PolarHBondContact O-N 3.01Å
196	P	97.3	Very high	96.2	Very high	113 Å²	113	70.8 Å²	70.8	73%	0.734	37%	0.374	S	S	*	.	P	Polyproline II helix	trans	-68.5	128.4	-178.2	28	-33.9	0	0	0	110.9
197	H	95.6	Very high	96.4	Very high	74 Å²	74	66.5 Å²	66.5	34%	0.343	36%	0.356	S	S	.	.			trans	-129.2	120.2	171.8	-165.8	-88.6	0	0	0	107.8	S16 D17 V195 T199	S16-H197 WeakPolarHBondContact OG-CB 3.47Å; S16-H197 PolarHBondContact OG-N 3.01Å; S16-H197 PolarHBondContact OG-O 3.5Å; S16-H197 VanDerWaalsContact OG-O 3.14Å; D17-H197 IonicContact OD1-CG 2.69Å; D17-H197 IonicContact OD1-ND1 2.9Å; D17-H197 PolarHBondContact OD1-ND1 3.03Å; D17-H197 IonicContact OD2-CE1 3.99Å; D17-H197 IonicContact OD2-CG 3.8Å; D17-H197 IonicContact OD2-ND1 3.13Å; D17-H197 PolarHBondContact OD2-ND1 2.92Å; V195-H197 PolarHBondContact O-N 3.01Å; H197-T199 PolarHBondContact CE1-O 3.43Å; H197-T199 PolarHBondContact CE1-OG1 2.88Å; H197-T199 PolarHBondContact ND1-O 3.4Å
198	V	94.6	Very high	96.5	Very high	125 Å²	125	62.7 Å²	62.7	76%	0.758	35%	0.345	S	S	*	.	S	Bend	trans	-78.1	-42.1	-165.6	178.7	0	0	0	0	111.8
199	T	95.7	Very high	96.6	Very high	92 Å²	92	62.1 Å²	62.1	56%	0.564	34%	0.344	S	S	*	.	S	Bend	trans	-92.6	165.2	176.9	58.5	0	0	0	0	109.8	H197	H197-T199 PolarHBondContact CE1-O 3.43Å; H197-T199 PolarHBondContact CE1-OG1 2.88Å; H197-T199 PolarHBondContact ND1-O 3.4Å
200	I	97.1	Very high	96.6	Very high	35 Å²	35	60.7 Å²	60.7	18%	0.179	34%	0.337	C	S	.	.	P	Polyproline II helix	trans	-95.3	119.4	170.7	-63.9	176	0	0	0	108.3	D17 L20 C204 L205 W262 R266	D17-I200 WeakPolarHBondContact OD2-CA 3.36Å; L20-I200 HydrophobicContact CD2-CD1 3.57Å; L20-I200 HydrophobicContact CD2-CG1 4.32Å; I200-C204 HydrophobicContact CG2-CB 4.26Å; I200-L205 HydrophobicContact CG2-CB 4.02Å; I200-W262 HydrophobicContact CD1-CH2 3.55Å; I200-W262 HydrophobicContact CD1-CZ2 3.76Å; I200-R266 VanDerWaalsContact CD1-CZ 3.49Å
201	G	95.8	Very high	96.6	Very high	26 Å²	26	61 Å²	61	27%	0.268	34%	0.338	S	S	.	.	P	Polyproline II helix	trans	-60.4	144.8	174	0	0	0	0	0	112.1	D17 V203 C204 L205	D17-G201 PolarHBondContact OD2-N 3.3Å; G201-V203 VanDerWaalsContact C-N 3.27Å; G201-V203 PolarHBondContact O-N 3.21Å; G201-C204 PolarHBondContact O-N 3.35Å; G201-C204 VanDerWaalsContact O-N 3.14Å; G201-L205 PolarHBondContact O-N 3.04Å
202	K	96.5	Very high	96.6	Very high	146 Å²	146	58.7 Å²	58.7	64%	0.635	32%	0.323	S	S	*	.	H	α-helix	trans	-53.1	-42.9	-178.7	178.3	176.1	172.8	177.6	0	112.9	C204 L205 E206	K202-C204 PolarHBondContact O-N 2.88Å; K202-L205 PolarHBondContact O-N 3.37Å; K202-E206 WeakPolarHBondContact CE-OE1 3.39Å; K202-E206 HydrophobicContact CG-CG 4.35Å; K202-E206 IonicContact NZ-OE1 3.76Å; K202-E206 WeakPolarHBondContact O-CB 3.31Å; K202-E206 WeakPolarHBondContact O-CG 3.46Å; K202-E206 PolarHBondContact O-N 2.94Å
203	V	95.8	Very high	96.5	Very high	28 Å²	28	62.6 Å²	62.6	17%	0.17	34%	0.339	C	S	.	.	H	α-helix	trans	-62.2	-43.9	-178.7	-178	0	0	0	0	111.4	L108 G201 E206 S207	L108-V203 HydrophobicContact CD1-CG1 3.8Å; L108-V203 HydrophobicContact CD2-CB 4.3Å; L108-V203 HydrophobicContact CD2-CG1 3.68Å; L108-V203 HydrophobicContact CD2-CG2 3.58Å; L108-V203 HydrophobicContact CG-CG1 4.42Å; G201-V203 VanDerWaalsContact C-N 3.27Å; G201-V203 PolarHBondContact O-N 3.21Å; V203-E206 PolarHBondContact O-N 3.4Å; V203-S207 WeakPolarHBondContact O-CB 3.39Å; V203-S207 PolarHBondContact O-N 3.29Å; V203-S207 PolarHBondContact O-OG 3.36Å
204	C	96.8	Very high	96.4	Very high	5 Å²	5	59.1 Å²	59.1	3%	0.034	32%	0.324	C	S	.	.	H	α-helix	trans	-68.2	-38.7	177.5	-68	0	0	0	0	111.7	D17 V21 H76 I200 G201 K202 S207 A208	D17-C204 HydrophobicContact CB-CB 3.94Å; V21-C204 HydrophobicContact CG2-CB 4Å; V21-C204 WeakPolarHBondContact CG2-O 3.39Å; H76-C204 PolarHBondContact O-SG 2.72Å; H76-C204 VanDerWaalsContact O-SG 3.38Å; I200-C204 HydrophobicContact CG2-CB 4.26Å; G201-C204 PolarHBondContact O-N 3.35Å; G201-C204 VanDerWaalsContact O-N 3.14Å; K202-C204 PolarHBondContact O-N 2.88Å; C204-S207 PolarHBondContact O-N 3.02Å; C204-A208 WeakPolarHBondContact O-CB 3.44Å; C204-A208 PolarHBondContact O-N 3.05Å
205	L	97.4	Very high	96.2	Very high	67 Å²	67	57.8 Å²	57.8	35%	0.351	32%	0.317	S	S	.	.	H	α-helix	trans	-63.9	-46.8	174.9	-178.4	61.1	0	0	0	111.9	I200 G201 K202 S207 A208 V209 L263	I200-L205 HydrophobicContact CG2-CB 4.02Å; G201-L205 PolarHBondContact O-N 3.04Å; K202-L205 PolarHBondContact O-N 3.37Å; L205-S207 VanDerWaalsContact C-N 3.3Å; L205-S207 PolarHBondContact O-N 3.29Å; L205-A208 PolarHBondContact O-N 2.99Å; L205-V209 PolarHBondContact O-N 3.5Å; L205-V209 VanDerWaalsContact O-N 3.14Å; L205-L263 HydrophobicContact CD1-CD2 3.6Å
206	E	96.4	Very high	96.1	Very high	79 Å²	79	57 Å²	57	37%	0.369	31%	0.313	S	S	.	.	H	α-helix	trans	-57.2	-46.4	174.5	-75.4	177.9	168.8	0	0	110.3	K202 V203 A208 V209 E210	K202-E206 WeakPolarHBondContact CE-OE1 3.39Å; K202-E206 HydrophobicContact CG-CG 4.35Å; K202-E206 IonicContact NZ-OE1 3.76Å; K202-E206 WeakPolarHBondContact O-CB 3.31Å; K202-E206 WeakPolarHBondContact O-CG 3.46Å; K202-E206 PolarHBondContact O-N 2.94Å; V203-E206 PolarHBondContact O-N 3.4Å; E206-A208 VanDerWaalsContact C-N 3.35Å; E206-A208 PolarHBondContact O-N 2.93Å; E206-V209 WeakPolarHBondContact O-CG2 3.35Å; E206-V209 PolarHBondContact O-N 3.04Å; E206-E210 WeakPolarHBondContact O-CG 3.39Å; E206-E210 PolarHBondContact O-N 2.67Å
207	S	96.1	Very high	95.9	Very high	20 Å²	20	56.7 Å²	56.7	14%	0.14	30%	0.302	C	S	.	.	H	α-helix	trans	-62.4	-38.4	177.5	-56.2	0	0	0	0	113	V78 I80 V203 C204 L205 V209 E210	V78-S207 WeakPolarHBondContact O-CB 3.36Å; V78-S207 PolarHBondContact O-OG 3.21Å; I80-S207 WeakPolarHBondContact CD1-O 3.37Å; V203-S207 WeakPolarHBondContact O-CB 3.39Å; V203-S207 PolarHBondContact O-N 3.29Å; V203-S207 PolarHBondContact O-OG 3.36Å; C204-S207 PolarHBondContact O-N 3.02Å; L205-S207 VanDerWaalsContact C-N 3.3Å; L205-S207 PolarHBondContact O-N 3.29Å; S207-V209 PolarHBondContact O-N 3.07Å; S207-E210 PolarHBondContact O-N 2.94Å
208	A	95.6	Very high	95.8	Very high	14 Å²	14	54.2 Å²	54.2	12%	0.116	29%	0.291	C	S	.	.	H	α-helix	trans	-64	-39.5	177.4	0	0	0	0	0	112.3	V21 C204 L205 E206 E210	V21-A208 HydrophobicContact CG2-CB 4.23Å; C204-A208 WeakPolarHBondContact O-CB 3.44Å; C204-A208 PolarHBondContact O-N 3.05Å; L205-A208 PolarHBondContact O-N 2.99Å; E206-A208 VanDerWaalsContact C-N 3.35Å; E206-A208 PolarHBondContact O-N 2.93Å; A208-E210 VanDerWaalsContact C-N 3.29Å; A208-E210 PolarHBondContact O-N 3.01Å
209	V	97.1	Very high	95.7	Very high	45 Å²	45	50.2 Å²	50.2	27%	0.273	26%	0.264	S	S	.	.	H	α-helix	trans	-81.8	-4.7	-179.6	-57.9	0	0	0	0	113.8	L205 E206 S207 L259 L263	L205-V209 PolarHBondContact O-N 3.5Å; L205-V209 VanDerWaalsContact O-N 3.14Å; E206-V209 WeakPolarHBondContact O-CG2 3.35Å; E206-V209 PolarHBondContact O-N 3.04Å; S207-V209 PolarHBondContact O-N 3.07Å; V209-L259 HydrophobicContact CG1-CD2 4.34Å; V209-L263 HydrophobicContact CG1-CD1 4.15Å
210	E	96.5	Very high	95.7	Very high	75 Å²	75	48.9 Å²	48.9	35%	0.35	25%	0.251	S	S	.	.	H	α-helix	trans	-75.2	-25.7	172	-73.3	-53.1	116	0	0	112.7	E206 S207 A208 K213 I214	E206-E210 WeakPolarHBondContact O-CG 3.39Å; E206-E210 PolarHBondContact O-N 2.67Å; S207-E210 PolarHBondContact O-N 2.94Å; A208-E210 VanDerWaalsContact C-N 3.29Å; A208-E210 PolarHBondContact O-N 3.01Å; E210-K213 WeakPolarHBondContact O-CA 3.31Å; E210-K213 WeakPolarHBondContact O-CB 3.27Å; E210-K213 PolarHBondContact O-N 2.66Å; E210-K213 WeakPolarHBondContact OE1-CD 3.35Å; E210-K213 IonicContact OE1-NZ 2.72Å; E210-K213 PolarHBondContact OE1-NZ 3.16Å; E210-I214 HydrophobicContact CB-CD1 4.3Å; E210-I214 WeakPolarHBondContact O-CG1 3.21Å; E210-I214 PolarHBondContact O-N 2.69Å
211	L	95.9	Very high	95.6	Very high	14 Å²	14	49 Å²	49	7%	0.073	25%	0.252	C	S	.	.	H	α-helix	trans	-54.6	-51.2	-176.2	175.5	64.3	0	0	0	113.4	I80 K213 I214 L215 V255	I80-L211 HydrophobicContact CD1-CB 3.86Å; I80-L211 HydrophobicContact CG2-CD1 4.12Å; L211-K213 PolarHBondContact O-N 3.15Å; L211-I214 PolarHBondContact O-N 2.76Å; L211-L215 HydrophobicContact CD1-CD1 4.04Å; L211-L215 HydrophobicContact CD1-CG 4.05Å; L211-L215 HydrophobicContact CG-CD1 4.11Å; L211-L215 WeakPolarHBondContact O-CG 3.38Å; L211-L215 PolarHBondContact O-N 2.94Å; L211-V255 HydrophobicContact CD2-CG1 4.1Å; L211-V255 HydrophobicContact CG-CG1 4.34Å
212	P	96.8	Very high	95.5	Very high	23 Å²	23	49.1 Å²	49.1	15%	0.149	25%	0.251	C	S	.	.	H	α-helix	trans	-59.6	-33.7	176.4	-22.5	32.3	0	0	0	113.7	C216 V255 L259	P212-C216 VanDerWaalsContact O-CB 3.24Å; P212-C216 WeakPolarHBondContact O-CB 3.43Å; P212-C216 PolarHBondContact O-N 3.3Å; P212-V255 HydrophobicContact CG-CG1 4.1Å; P212-L259 HydrophobicContact CG-CD2 3.83Å
213	K	96.4	Very high	95.4	Very high	117 Å²	117	45.3 Å²	45.3	51%	0.509	23%	0.233	S	C	.	.	H	α-helix	trans	-68.3	-44.6	178.6	-60.3	178.7	-171.3	166.5	0	110.6	E210 L211 C216 Q217	E210-K213 WeakPolarHBondContact O-CA 3.31Å; E210-K213 WeakPolarHBondContact O-CB 3.27Å; E210-K213 PolarHBondContact O-N 2.66Å; E210-K213 WeakPolarHBondContact OE1-CD 3.35Å; E210-K213 IonicContact OE1-NZ 2.72Å; E210-K213 PolarHBondContact OE1-NZ 3.16Å; L211-K213 PolarHBondContact O-N 3.15Å; K213-C216 PolarHBondContact O-N 2.87Å; K213-Q217 WeakPolarHBondContact O-CB 3.42Å; K213-Q217 PolarHBondContact O-N 3.5Å
214	I	95.3	Very high	95.4	Very high	29 Å²	29	50.1 Å²	50.1	15%	0.149	25%	0.248	C	C	.	.	H	α-helix	trans	-60.2	-48.3	177	-67.7	169.2	0	0	0	110.7	I80 R82 E210 L211 C216 Q217 E218	I80-I214 HydrophobicContact CB-CD1 3.9Å; I80-I214 HydrophobicContact CG2-CD1 3.59Å; I80-I214 WeakPolarHBondContact O-CD1 3.42Å; R82-I214 HydrophobicContact CB-CG2 3.94Å; E210-I214 HydrophobicContact CB-CD1 4.3Å; E210-I214 WeakPolarHBondContact O-CG1 3.21Å; E210-I214 PolarHBondContact O-N 2.69Å; L211-I214 PolarHBondContact O-N 2.76Å; I214-C216 PolarHBondContact O-N 3.4Å; I214-Q217 PolarHBondContact O-N 3.22Å; I214-E218 PolarHBondContact O-N 3.23Å
215	L	94.4	Very high	95.3	Very high	34 Å²	34	56.8 Å²	56.8	18%	0.178	27%	0.272	C	S	.	.	H	α-helix	trans	-62.8	-40.6	179.4	-67.7	175.9	0	0	0	112.4	L211 E218 E219 Q251 V255	L211-L215 HydrophobicContact CD1-CD1 4.04Å; L211-L215 HydrophobicContact CD1-CG 4.05Å; L211-L215 HydrophobicContact CG-CD1 4.11Å; L211-L215 WeakPolarHBondContact O-CG 3.38Å; L211-L215 PolarHBondContact O-N 2.94Å; L215-E218 PolarHBondContact O-N 3.34Å; L215-E219 PolarHBondContact O-N 2.79Å; L215-Q251 PolarHBondContact O-NE2 3.25Å; L215-Q251 PolarHBondContact O-OE1 3.03Å; L215-V255 HydrophobicContact CD1-CG1 4.38Å; L215-V255 HydrophobicContact CD1-CG2 3.99Å
216	C	95.1	Very high	95.1	Very high	35 Å²	35	56.9 Å²	56.9	24%	0.236	27%	0.273	C	S	.	.	H	α-helix	trans	-67.2	-43	176.7	-177.1	0	0	0	0	111.5	P212 K213 I214 E218 E219 Q220 L248	P212-C216 VanDerWaalsContact O-CB 3.24Å; P212-C216 WeakPolarHBondContact O-CB 3.43Å; P212-C216 PolarHBondContact O-N 3.3Å; K213-C216 PolarHBondContact O-N 2.87Å; I214-C216 PolarHBondContact O-N 3.4Å; C216-E218 VanDerWaalsContact C-N 3.26Å; C216-E218 PolarHBondContact O-N 3.49Å; C216-E219 PolarHBondContact O-N 3.37Å; C216-Q220 VanDerWaalsContact O-CG 3.27Å; C216-Q220 WeakPolarHBondContact O-CG 3.48Å; C216-Q220 PolarHBondContact O-N 2.86Å; C216-Q220 PolarHBondContact SG-NE2 3.28Å; C216-L248 HydrophobicContact CB-CD2 4.39Å
217	Q	94.2	Very high	94.9	Very high	107 Å²	107	58.5 Å²	58.5	50%	0.5	28%	0.28	S	S	.	.	H	α-helix	trans	-63.4	-35.4	177	-171.9	165.1	14.9	0	0	111.6	K213 I214 Q220 D221	K213-Q217 WeakPolarHBondContact O-CB 3.42Å; K213-Q217 PolarHBondContact O-N 3.5Å; I214-Q217 PolarHBondContact O-N 3.22Å; Q217-Q220 PolarHBondContact O-N 3.14Å; Q217-D221 WeakPolarHBondContact O-CB 3.38Å; Q217-D221 VanDerWaalsContact O-CG 3.26Å; Q217-D221 PolarHBondContact O-N 3.48Å
218	E	92.1	Very high	94.8	Very high	23 Å²	23	61.6 Å²	61.6	11%	0.107	30%	0.301	C	S	.	.	H	α-helix	trans	-60.1	-49.4	175.1	177.9	171.3	150.8	0	0	112.8	R82 K86 I214 L215 C216 D221 A222	R82-E218 IonicContact NE-OE2 3.74Å; R82-E218 PolarHBondContact NH2-O 3.47Å; K86-E218 WeakPolarHBondContact CE-OE1 3.28Å; K86-E218 IonicContact NZ-OE1 3.49Å; K86-E218 PolarHBondContact NZ-OE1 2.69Å; I214-E218 PolarHBondContact O-N 3.23Å; L215-E218 PolarHBondContact O-N 3.34Å; C216-E218 VanDerWaalsContact C-N 3.26Å; C216-E218 PolarHBondContact O-N 3.49Å; E218-D221 PolarHBondContact O-N 2.63Å; E218-A222 PolarHBondContact O-N 3.4Å
219	E	93.8	Very high	94.7	Very high	41 Å²	41	64.5 Å²	64.5	19%	0.192	32%	0.315	C	S	.	.	H	α-helix	trans	-64.4	-41	176.6	-71	-63.3	139	0	0	111.6	L215 C216 D221 A222 Y223 F244 N247 L248	L215-E219 PolarHBondContact O-N 2.79Å; C216-E219 PolarHBondContact O-N 3.37Å; E219-D221 PolarHBondContact O-N 3.04Å; E219-A222 PolarHBondContact O-N 2.92Å; E219-Y223 WeakPolarHBondContact O-CB 3.44Å; E219-Y223 PolarHBondContact O-N 3.45Å; E219-F244 HydrophobicContact CB-CD2 4.32Å; E219-F244 HydrophobicContact CB-CE2 4.04Å; E219-N247 HydrophobicContact CG-CB 4.35Å; E219-N247 WeakPolarHBondContact OE2-CB 3.23Å; E219-N247 PolarHBondContact OE2-ND2 2.93Å; E219-L248 HydrophobicContact CB-CD2 4.13Å
220	Q	95.6	Very high	94.5	Very high	63 Å²	63	68 Å²	68	29%	0.294	34%	0.337	S	S	.	.	H	α-helix	trans	-61.5	-43.5	177.3	-74.2	176.9	20.9	0	0	111.8	C216 Q217 Y223 R224 F244	C216-Q220 VanDerWaalsContact O-CG 3.27Å; C216-Q220 WeakPolarHBondContact O-CG 3.48Å; C216-Q220 PolarHBondContact O-N 2.86Å; C216-Q220 PolarHBondContact SG-NE2 3.28Å; Q217-Q220 PolarHBondContact O-N 3.14Å; Q220-Y223 PolarHBondContact O-N 3.36Å; Q220-R224 WeakPolarHBondContact O-CB 3.46Å; Q220-R224 VanDerWaalsContact O-CG 3.23Å; Q220-R224 WeakPolarHBondContact O-CG 3.37Å; Q220-R224 PolarHBondContact O-N 3.09Å; Q220-F244 HydrophobicContact CG-CE2 4.16Å; Q220-F244 HydrophobicContact CG-CZ 3.98Å
221	D	93.8	Very high	94.4	Very high	38 Å²	38	71.4 Å²	71.4	20%	0.203	35%	0.352	C	S	.	.	H	α-helix	trans	-67.5	-38.9	178.5	-70.7	-21.1	0	0	0	112	R82 Q217 E218 E219 R224 R225	R82-D221 IonicContact CZ-OD2 2.91Å; R82-D221 IonicContact NH1-OD2 3.75Å; R82-D221 PolarHBondContact NH1-OD2 2.93Å; R82-D221 IonicContact NH2-OD2 3.87Å; Q217-D221 WeakPolarHBondContact O-CB 3.38Å; Q217-D221 VanDerWaalsContact O-CG 3.26Å; Q217-D221 PolarHBondContact O-N 3.48Å; E218-D221 PolarHBondContact O-N 2.63Å; E219-D221 PolarHBondContact O-N 3.04Å; D221-R224 PolarHBondContact O-N 3.3Å; D221-R224 IonicContact OD1-CZ 3.94Å; D221-R224 IonicContact OD1-NH1 2.75Å; D221-R224 PolarHBondContact OD1-NH1 3.15Å; D221-R225 WeakPolarHBondContact O-CG 3.47Å; D221-R225 PolarHBondContact O-N 3.3Å
222	A	93.3	Very high	94.3	Very high	29 Å²	29	72.6 Å²	72.6	24%	0.24	36%	0.358	C	S	.	.	H	α-helix	trans	-61.2	-46	173.2	0	0	0	0	0	111.2	E218 E219 R225 I226	E218-A222 PolarHBondContact O-N 3.4Å; E219-A222 PolarHBondContact O-N 2.92Å; A222-R225 PolarHBondContact O-N 2.95Å; A222-I226 WeakPolarHBondContact O-CG1 3.47Å; A222-I226 PolarHBondContact O-N 3.47Å
223	Y	95.6	Very high	94.2	Very high	65 Å²	65	75.4 Å²	75.4	26%	0.255	37%	0.372	S	S	.	.	H	α-helix	trans	-63.6	-44.5	177.4	-174	-105.6	0	0	0	112.3	E219 Q220 R225 I226 H227 N240 F244	E219-Y223 WeakPolarHBondContact O-CB 3.44Å; E219-Y223 PolarHBondContact O-N 3.45Å; Q220-Y223 PolarHBondContact O-N 3.36Å; Y223-R225 PolarHBondContact O-N 3.35Å; Y223-I226 PolarHBondContact O-N 3.29Å; Y223-H227 VanDerWaalsContact O-CB 3.31Å; Y223-H227 WeakPolarHBondContact O-CB 3.2Å; Y223-H227 PolarHBondContact O-N 2.99Å; Y223-N240 HydrophobicContact CE2-CB 4.24Å; Y223-F244 HydrophobicContact CD2-CB 3.69Å; Y223-F244 HydrophobicContact CD2-CD2 4.18Å; Y223-F244 AromaticContact CD2-CG 3.94Å; Y223-F244 HydrophobicContact CD2-CG 3.94Å; Y223-F244 HydrophobicContact CE2-CB 4.03Å; Y223-F244 HydrophobicContact CE2-CG 4.44Å; Y223-F244 HydrophobicContact CG-CB 4.25Å; Y223-F244 AromaticContact CG-CD2 3.9Å; Y223-F244 HydrophobicContact CG-CD2 3.9Å; Y223-F244 HydrophobicContact CG-CE2 4.38Å; Y223-F244 AromaticContact CG-CG 3.98Å; Y223-F244 HydrophobicContact CG-CG 3.98Å
224	R	95.7	Very high	94.2	Very high	129 Å²	129	74.1 Å²	74.1	49%	0.487	38%	0.378	S	S	.	.	H	α-helix	trans	-59.2	-42.8	176.3	-74.9	172.5	-166.7	131.1	5.5	112.2	Q220 D221 I226 H227 S228	Q220-R224 WeakPolarHBondContact O-CB 3.46Å; Q220-R224 VanDerWaalsContact O-CG 3.23Å; Q220-R224 WeakPolarHBondContact O-CG 3.37Å; Q220-R224 PolarHBondContact O-N 3.09Å; D221-R224 PolarHBondContact O-N 3.3Å; D221-R224 IonicContact OD1-CZ 3.94Å; D221-R224 IonicContact OD1-NH1 2.75Å; D221-R224 PolarHBondContact OD1-NH1 3.15Å; R224-I226 VanDerWaalsContact C-N 3.33Å; R224-I226 PolarHBondContact O-N 3.38Å; R224-H227 PolarHBondContact O-N 3.5Å; R224-S228 PolarHBondContact O-N 3.47Å
225	R	94.9	Very high	94.3	Very high	146 Å²	146	78 Å²	78	55%	0.551	40%	0.402	S	S	*	.	H	α-helix	trans	-59.1	-45.2	176.1	-76	-172.1	-63.2	-92.7	5.1	111.4	D221 A222 Y223 S228	D221-R225 WeakPolarHBondContact O-CG 3.47Å; D221-R225 PolarHBondContact O-N 3.3Å; A222-R225 PolarHBondContact O-N 2.95Å; Y223-R225 PolarHBondContact O-N 3.35Å; R225-S228 PolarHBondContact O-N 3Å; R225-S228 PolarHBondContact O-OG 3.14Å
226	I	93.4	Very high	94.4	Very high	69 Å²	69	78.5 Å²	78.5	35%	0.354	41%	0.407	S	S	.	.	H	α-helix	trans	-68.4	-40.6	177.7	-63.2	166.7	0	0	0	110.8	A222 Y223 R224 S228 L229 L232 N240	A222-I226 WeakPolarHBondContact O-CG1 3.47Å; A222-I226 PolarHBondContact O-N 3.47Å; Y223-I226 PolarHBondContact O-N 3.29Å; R224-I226 VanDerWaalsContact C-N 3.33Å; R224-I226 PolarHBondContact O-N 3.38Å; I226-S228 PolarHBondContact O-N 3.37Å; I226-L229 VanDerWaalsContact O-CB 3.3Å; I226-L229 WeakPolarHBondContact O-CB 3.41Å; I226-L229 PolarHBondContact O-N 2.99Å; I226-L229 VanDerWaalsContact O-N 3.08Å; I226-L232 HydrophobicContact CG2-CD1 3.93Å; I226-N240 VanDerWaalsContact CG2-ND2 3.3Å; I226-N240 WeakPolarHBondContact CG2-ND2 3.12Å
227	H	91.1	Very high	94.4	Very high	112 Å²	112	80.4 Å²	80.4	52%	0.519	41%	0.411	S	S	.	.	H	α-helix	trans	-64.9	-26.1	179.4	-163.9	78.9	0	0	0	113	Y223 R224 L229	Y223-H227 VanDerWaalsContact O-CB 3.31Å; Y223-H227 WeakPolarHBondContact O-CB 3.2Å; Y223-H227 PolarHBondContact O-N 2.99Å; R224-H227 PolarHBondContact O-N 3.5Å; H227-L229 PolarHBondContact O-N 2.99Å
228	S	94.4	Very high	94.5	Very high	85 Å²	85	80.9 Å²	80.9	59%	0.594	42%	0.416	S	S	*	.	T	Hydrogen-bonded Turn	trans	-64.7	-19	174.1	78.9	0	0	0	0	113.6	R224 R225 I226 T230	R224-S228 PolarHBondContact O-N 3.47Å; R225-S228 PolarHBondContact O-N 3Å; R225-S228 PolarHBondContact O-OG 3.14Å; I226-S228 PolarHBondContact O-N 3.37Å; S228-T230 VanDerWaalsContact C-N 3.34Å; S228-T230 PolarHBondContact O-N 3.04Å
229	L	94.3	Very high	94.8	Very high	76 Å²	76	85.3 Å²	85.3	40%	0.398	44%	0.437	S	S	.	.			trans	-77.2	84.2	174.6	-59.6	160	0	0	0	109.3	I226 H227 H231 L232	I226-L229 VanDerWaalsContact O-CB 3.3Å; I226-L229 WeakPolarHBondContact O-CB 3.41Å; I226-L229 PolarHBondContact O-N 2.99Å; I226-L229 VanDerWaalsContact O-N 3.08Å; H227-L229 PolarHBondContact O-N 2.99Å; L229-H231 PolarHBondContact O-N 3.24Å; L229-H231 VanDerWaalsContact O-N 3.15Å; L229-L232 HydrophobicContact CB-CD1 3.82Å; L229-L232 HydrophobicContact CB-CG 3.86Å; L229-L232 HydrophobicContact CD1-CD1 4.29Å; L229-L232 WeakPolarHBondContact O-CG 3.26Å; L229-L232 PolarHBondContact O-N 2.62Å
230	T	91.6	Very high	94.9	Very high	119 Å²	119	85 Å²	85	73%	0.73	44%	0.436	S	S	*	.	T	Hydrogen-bonded Turn	trans	-61.2	-27.1	-173.5	53.8	0	0	0	0	114	S228 L232 K237	S228-T230 VanDerWaalsContact C-N 3.34Å; S228-T230 PolarHBondContact O-N 3.04Å; T230-L232 VanDerWaalsContact C-N 3.26Å; T230-L232 PolarHBondContact O-N 3.42Å; T230-K237 PolarHBondContact O-NZ 3.25Å
231	H	94.1	Very high	95	Very high	146 Å²	146	82.8 Å²	82.8	68%	0.676	43%	0.43	S	S	*	.	T	Hydrogen-bonded Turn	trans	-73.7	-8.6	-177.9	66.1	-90.8	0	0	0	114.8	L229	L229-H231 PolarHBondContact O-N 3.24Å; L229-H231 VanDerWaalsContact O-N 3.15Å
232	L	94.3	Very high	95.1	Very high	38 Å²	38	84.4 Å²	84.4	20%	0.199	44%	0.444	C	S	.	.			trans	-64.8	138.5	178	-64.9	176.1	0	0	0	111.1	I226 L229 T230 T236 K237	I226-L232 HydrophobicContact CG2-CD1 3.93Å; L229-L232 HydrophobicContact CB-CD1 3.82Å; L229-L232 HydrophobicContact CB-CG 3.86Å; L229-L232 HydrophobicContact CD1-CD1 4.29Å; L229-L232 WeakPolarHBondContact O-CG 3.26Å; L229-L232 PolarHBondContact O-N 2.62Å; T230-L232 VanDerWaalsContact C-N 3.26Å; T230-L232 PolarHBondContact O-N 3.42Å; L232-T236 HydrophobicContact CB-CG2 4.42Å; L232-T236 HydrophobicContact CD1-CG2 4.38Å; L232-T236 HydrophobicContact CD2-CG2 4.19Å; L232-K237 HydrophobicContact CB-CG 4.37Å; L232-K237 WeakPolarHBondContact O-CE 3.27Å; L232-K237 PolarHBondContact O-NZ 2.89Å
233	D	95.4	Very high	95.4	Very high	82 Å²	82	85.9 Å²	85.9	44%	0.439	45%	0.45	S	S	.	.			trans	-68.2	161.3	177	73.6	82.8	0	0	0	111.8	V235 T236 K237	D233-V235 VanDerWaalsContact C-N 3.31Å; D233-V235 PolarHBondContact O-N 2.73Å; D233-V235 VanDerWaalsContact OD1-CA 3.32Å; D233-V235 WeakPolarHBondContact OD1-CA 3.5Å; D233-V235 VanDerWaalsContact OD1-CB 3.26Å; D233-V235 WeakPolarHBondContact OD1-CB 3.43Å; D233-V235 PolarHBondContact OD1-N 3.02Å; D233-T236 PolarHBondContact O-N 3.16Å; D233-T236 PolarHBondContact OD1-N 2.91Å; D233-T236 PolarHBondContact OD1-OG1 2.84Å; D233-T236 VanDerWaalsContact OD2-CB 3.3Å; D233-T236 WeakPolarHBondContact OD2-CB 3.4Å; D233-T236 PolarHBondContact OD2-OG1 2.67Å; D233-K237 WeakPolarHBondContact O-CG 3.47Å; D233-K237 PolarHBondContact O-N 2.9Å
234	S	95.5	Very high	95.5	Very high	90 Å²	90	84.7 Å²	84.7	63%	0.629	45%	0.446	S	S	*	.	H	α-helix	trans	-64.8	-32.4	-176.2	-57.5	0	0	0	0	113.3	K237 I238	S234-K237 PolarHBondContact O-N 2.93Å; S234-I238 VanDerWaalsContact O-CG1 3.28Å; S234-I238 WeakPolarHBondContact O-CG1 2.82Å; S234-I238 PolarHBondContact O-N 3.03Å
235	V	97.6	Very high	95.6	Very high	110 Å²	110	82.4 Å²	82.4	67%	0.667	45%	0.447	S	S	*	.	H	α-helix	trans	-69.8	-43.1	178.8	-178.8	0	0	0	0	109.6	D233 K237 I238 H239	D233-V235 VanDerWaalsContact C-N 3.31Å; D233-V235 PolarHBondContact O-N 2.73Å; D233-V235 VanDerWaalsContact OD1-CA 3.32Å; D233-V235 WeakPolarHBondContact OD1-CA 3.5Å; D233-V235 VanDerWaalsContact OD1-CB 3.26Å; D233-V235 WeakPolarHBondContact OD1-CB 3.43Å; D233-V235 PolarHBondContact OD1-N 3.02Å; V235-K237 VanDerWaalsContact C-N 3.32Å; V235-K237 PolarHBondContact O-N 2.66Å; V235-I238 PolarHBondContact O-N 3.24Å; V235-H239 PolarHBondContact O-N 2.95Å
236	T	95.9	Very high	95.7	Very high	46 Å²	46	82.8 Å²	82.8	28%	0.282	45%	0.453	S	S	.	.	H	α-helix	trans	-60.9	-40.8	173.2	-64	0	0	0	0	111.5	L232 D233 H239 N240	L232-T236 HydrophobicContact CB-CG2 4.42Å; L232-T236 HydrophobicContact CD1-CG2 4.38Å; L232-T236 HydrophobicContact CD2-CG2 4.19Å; D233-T236 PolarHBondContact O-N 3.16Å; D233-T236 PolarHBondContact OD1-N 2.91Å; D233-T236 PolarHBondContact OD1-OG1 2.84Å; D233-T236 VanDerWaalsContact OD2-CB 3.3Å; D233-T236 WeakPolarHBondContact OD2-CB 3.4Å; D233-T236 PolarHBondContact OD2-OG1 2.67Å; T236-H239 PolarHBondContact O-N 2.85Å; T236-N240 WeakPolarHBondContact O-CB 3.44Å; T236-N240 PolarHBondContact O-N 3.24Å; T236-N240 PolarHBondContact O-ND2 2.86Å
237	K	95.7	Very high	95.9	Very high	75 Å²	75	81.9 Å²	81.9	33%	0.326	45%	0.449	S	S	.	.	H	α-helix	trans	-61.9	-43.2	174.5	-73.3	170.4	178	156.5	0	112.3	T230 L232 D233 S234 V235 N240 G241	T230-K237 PolarHBondContact O-NZ 3.25Å; L232-K237 HydrophobicContact CB-CG 4.37Å; L232-K237 WeakPolarHBondContact O-CE 3.27Å; L232-K237 PolarHBondContact O-NZ 2.89Å; D233-K237 WeakPolarHBondContact O-CG 3.47Å; D233-K237 PolarHBondContact O-N 2.9Å; S234-K237 PolarHBondContact O-N 2.93Å; V235-K237 VanDerWaalsContact C-N 3.32Å; V235-K237 PolarHBondContact O-N 2.66Å; K237-N240 PolarHBondContact O-N 3.47Å; K237-G241 PolarHBondContact O-N 2.93Å
238	I	96.7	Very high	96.2	Very high	116 Å²	116	78.8 Å²	78.8	60%	0.595	44%	0.435	S	S	*	.	H	α-helix	trans	-63.7	-42.3	175.5	-68.4	163.8	0	0	0	111.1	S234 V235 G241 S242	S234-I238 VanDerWaalsContact O-CG1 3.28Å; S234-I238 WeakPolarHBondContact O-CG1 2.82Å; S234-I238 PolarHBondContact O-N 3.03Å; V235-I238 PolarHBondContact O-N 3.24Å; I238-G241 PolarHBondContact O-N 3.22Å; I238-S242 WeakPolarHBondContact O-CB 2.89Å; I238-S242 PolarHBondContact O-N 3.26Å; I238-S242 PolarHBondContact O-OG 3.02Å
239	H	97.6	Very high	96.3	Very high	117 Å²	117	77.9 Å²	77.9	54%	0.542	43%	0.428	S	S	.	.	H	α-helix	trans	-60	-51.9	176.4	178.6	87.2	0	0	0	111.1	V235 T236 G241 S242 V243	V235-H239 PolarHBondContact O-N 2.95Å; T236-H239 PolarHBondContact O-N 2.85Å; H239-G241 VanDerWaalsContact C-N 3.3Å; H239-G241 PolarHBondContact O-N 3.39Å; H239-S242 WeakPolarHBondContact O-CB 3.33Å; H239-S242 PolarHBondContact O-N 3Å; H239-V243 WeakPolarHBondContact O-CG2 3.37Å; H239-V243 PolarHBondContact O-N 3.34Å
240	N	96.5	Very high	96.4	Very high	35 Å²	35	77.8 Å²	77.8	19%	0.187	43%	0.434	C	S	.	.	H	α-helix	trans	-60.7	-39.9	178.9	-67.7	-21.7	0	0	0	111.9	Y223 I226 T236 K237 S242 V243 F244	Y223-N240 HydrophobicContact CE2-CB 4.24Å; I226-N240 VanDerWaalsContact CG2-ND2 3.3Å; I226-N240 WeakPolarHBondContact CG2-ND2 3.12Å; T236-N240 WeakPolarHBondContact O-CB 3.44Å; T236-N240 PolarHBondContact O-N 3.24Å; T236-N240 PolarHBondContact O-ND2 2.86Å; K237-N240 PolarHBondContact O-N 3.47Å; N240-S242 VanDerWaalsContact C-N 3.32Å; N240-S242 PolarHBondContact O-N 3.26Å; N240-V243 PolarHBondContact O-N 3.45Å; N240-F244 WeakPolarHBondContact O-CB 3.37Å; N240-F244 PolarHBondContact O-N 3.03Å
241	G	97	Very high	96.6	Very high	16 Å²	16	73.8 Å²	73.8	17%	0.165	41%	0.407	C	S	.	.	H	α-helix	trans	-62.1	-39.9	174.1	0	0	0	0	0	112.4	K237 I238 H239 F244 T245	K237-G241 PolarHBondContact O-N 2.93Å; I238-G241 PolarHBondContact O-N 3.22Å; H239-G241 VanDerWaalsContact C-N 3.3Å; H239-G241 PolarHBondContact O-N 3.39Å; G241-F244 PolarHBondContact O-N 2.95Å; G241-T245 PolarHBondContact O-N 3.35Å; G241-T245 PolarHBondContact O-OG1 3.01Å; G241-T245 VanDerWaalsContact O-OG1 3.11Å
242	S	97.9	Very high	96.7	Very high	71 Å²	71	72.5 Å²	72.5	50%	0.497	40%	0.403	S	S	.	.	H	α-helix	trans	-67.8	-39.8	177.9	-57.6	0	0	0	0	112.1	I238 H239 N240 K246	I238-S242 WeakPolarHBondContact O-CB 2.89Å; I238-S242 PolarHBondContact O-N 3.26Å; I238-S242 PolarHBondContact O-OG 3.02Å; H239-S242 WeakPolarHBondContact O-CB 3.33Å; H239-S242 PolarHBondContact O-N 3Å; N240-S242 VanDerWaalsContact C-N 3.32Å; N240-S242 PolarHBondContact O-N 3.26Å; S242-K246 WeakPolarHBondContact O-CB 3.49Å; S242-K246 PolarHBondContact O-N 3.42Å
243	V	97.8	Very high	96.9	Very high	60 Å²	60	75.2 Å²	75.2	36%	0.364	43%	0.425	S	S	.	.	H	α-helix	trans	-63.8	-45.1	173.5	174.1	0	0	0	0	110.8	H239 N240 K246 N247	H239-V243 WeakPolarHBondContact O-CG2 3.37Å; H239-V243 PolarHBondContact O-N 3.34Å; N240-V243 PolarHBondContact O-N 3.45Å; V243-K246 WeakPolarHBondContact O-CB 3.18Å; V243-K246 PolarHBondContact O-N 2.9Å; V243-N247 VanDerWaalsContact O-CG 3.27Å; V243-N247 PolarHBondContact O-N 2.72Å; V243-N247 PolarHBondContact O-OD1 3.39Å
244	F	97.8	Very high	96.9	Very high	40 Å²	40	74.6 Å²	74.6	18%	0.175	43%	0.431	C	S	.	.	H	α-helix	trans	-59	-49.3	176.7	176	-104.8	0	0	0	112.1	E219 Q220 Y223 N240 G241 K246 N247 L248	E219-F244 HydrophobicContact CB-CD2 4.32Å; E219-F244 HydrophobicContact CB-CE2 4.04Å; Q220-F244 HydrophobicContact CG-CE2 4.16Å; Q220-F244 HydrophobicContact CG-CZ 3.98Å; Y223-F244 HydrophobicContact CD2-CB 3.69Å; Y223-F244 HydrophobicContact CD2-CD2 4.18Å; Y223-F244 AromaticContact CD2-CG 3.94Å; Y223-F244 HydrophobicContact CD2-CG 3.94Å; Y223-F244 HydrophobicContact CE2-CB 4.03Å; Y223-F244 HydrophobicContact CE2-CG 4.44Å; Y223-F244 HydrophobicContact CG-CB 4.25Å; Y223-F244 AromaticContact CG-CD2 3.9Å; Y223-F244 HydrophobicContact CG-CD2 3.9Å; Y223-F244 HydrophobicContact CG-CE2 4.38Å; Y223-F244 AromaticContact CG-CG 3.98Å; Y223-F244 HydrophobicContact CG-CG 3.98Å; N240-F244 WeakPolarHBondContact O-CB 3.37Å; N240-F244 PolarHBondContact O-N 3.03Å; G241-F244 PolarHBondContact O-N 2.95Å; F244-K246 VanDerWaalsContact C-N 3.34Å; F244-K246 PolarHBondContact O-N 2.99Å; F244-N247 PolarHBondContact O-N 3.24Å; F244-L248 HydrophobicContact CD1-CD1 4.23Å; F244-L248 HydrophobicContact CE1-CD1 3.49Å; F244-L248 VanDerWaalsContact CE1-CD1 3.49Å; F244-L248 HydrophobicContact CE1-CG 4.28Å; F244-L248 HydrophobicContact CE2-CD1 4Å; F244-L248 HydrophobicContact CE2-CD2 4.41Å; F244-L248 HydrophobicContact CE2-CG 4.11Å; F244-L248 HydrophobicContact CZ-CD1 3.37Å; F244-L248 HydrophobicContact CZ-CD2 4.49Å; F244-L248 HydrophobicContact CZ-CG 3.99Å; F244-L248 PolarHBondContact O-N 3.14Å
245	T	97.9	Very high	97	Very high	81 Å²	81	71.5 Å²	71.5	50%	0.497	41%	0.409	S	S	.	.	H	α-helix	trans	-59.4	-44.6	176.2	-60.8	0	0	0	0	111.5	G241 N247 L248 C249	G241-T245 PolarHBondContact O-N 3.35Å; G241-T245 PolarHBondContact O-OG1 3.01Å; G241-T245 VanDerWaalsContact O-OG1 3.11Å; T245-N247 VanDerWaalsContact C-N 3.34Å; T245-N247 PolarHBondContact O-N 3.41Å; T245-L248 PolarHBondContact O-N 3.45Å; T245-C249 WeakPolarHBondContact O-CB 3.2Å; T245-C249 PolarHBondContact O-N 3.02Å; T245-C249 PolarHBondContact O-SG 3.43Å
246	K	98	Very high	97	Very high	154 Å²	154	68.2 Å²	68.2	67%	0.67	39%	0.391	S	S	*	.	H	α-helix	trans	-58.1	-46.3	176.6	179	-171.3	172.6	-173.9	0	111.5	S242 V243 F244 C249 S250	S242-K246 WeakPolarHBondContact O-CB 3.49Å; S242-K246 PolarHBondContact O-N 3.42Å; V243-K246 WeakPolarHBondContact O-CB 3.18Å; V243-K246 PolarHBondContact O-N 2.9Å; F244-K246 VanDerWaalsContact C-N 3.34Å; F244-K246 PolarHBondContact O-N 2.99Å; K246-C249 PolarHBondContact O-N 2.99Å; K246-S250 WeakPolarHBondContact O-CB 3.49Å; K246-S250 PolarHBondContact O-N 3.46Å
247	N	96.5	Very high	97.1	Very high	51 Å²	51	67.7 Å²	67.7	27%	0.273	39%	0.394	S	S	.	.	H	α-helix	trans	-63.8	-46.6	-179.1	-70.5	-2.5	0	0	0	111.2	E219 V243 F244 T245 C249 S250 Q251	E219-N247 HydrophobicContact CG-CB 4.35Å; E219-N247 WeakPolarHBondContact OE2-CB 3.23Å; E219-N247 PolarHBondContact OE2-ND2 2.93Å; V243-N247 VanDerWaalsContact O-CG 3.27Å; V243-N247 PolarHBondContact O-N 2.72Å; V243-N247 PolarHBondContact O-OD1 3.39Å; F244-N247 PolarHBondContact O-N 3.24Å; T245-N247 VanDerWaalsContact C-N 3.34Å; T245-N247 PolarHBondContact O-N 3.41Å; N247-C249 PolarHBondContact O-N 3.37Å; N247-S250 WeakPolarHBondContact O-CB 3.49Å; N247-S250 PolarHBondContact O-N 3.17Å; N247-Q251 WeakPolarHBondContact O-CG 3.39Å; N247-Q251 PolarHBondContact O-N 3.29Å
248	L	96.9	Very high	97.2	Very high	46 Å²	46	67.2 Å²	67.2	24%	0.241	40%	0.399	C	S	.	.	H	α-helix	trans	-62.4	-43.1	176.8	-71.8	-170.4	0	0	0	112.6	C216 E219 F244 T245 S250 Q251 M252	C216-L248 HydrophobicContact CB-CD2 4.39Å; E219-L248 HydrophobicContact CB-CD2 4.13Å; F244-L248 HydrophobicContact CD1-CD1 4.23Å; F244-L248 HydrophobicContact CE1-CD1 3.49Å; F244-L248 VanDerWaalsContact CE1-CD1 3.49Å; F244-L248 HydrophobicContact CE1-CG 4.28Å; F244-L248 HydrophobicContact CE2-CD1 4Å; F244-L248 HydrophobicContact CE2-CD2 4.41Å; F244-L248 HydrophobicContact CE2-CG 4.11Å; F244-L248 HydrophobicContact CZ-CD1 3.37Å; F244-L248 HydrophobicContact CZ-CD2 4.49Å; F244-L248 HydrophobicContact CZ-CG 3.99Å; F244-L248 PolarHBondContact O-N 3.14Å; T245-L248 PolarHBondContact O-N 3.45Å; L248-S250 VanDerWaalsContact C-N 3.28Å; L248-S250 PolarHBondContact O-N 3.28Å; L248-Q251 PolarHBondContact O-N 2.93Å; L248-M252 WeakPolarHBondContact O-CB 3.3Å; L248-M252 PolarHBondContact O-N 3.38Å
249	C	97.6	Very high	97.3	Very high	66 Å²	66	63.2 Å²	63.2	45%	0.446	38%	0.378	S	S	.	.	H	α-helix	trans	-61.2	-39.5	175.2	-70.6	0	0	0	0	111.6	T245 K246 N247 M252 S253	T245-C249 WeakPolarHBondContact O-CB 3.2Å; T245-C249 PolarHBondContact O-N 3.02Å; T245-C249 PolarHBondContact O-SG 3.43Å; K246-C249 PolarHBondContact O-N 2.99Å; N247-C249 PolarHBondContact O-N 3.37Å; C249-M252 PolarHBondContact O-N 3.36Å; C249-S253 WeakPolarHBondContact O-CB 3.38Å; C249-S253 PolarHBondContact O-N 3.46Å
250	S	97.3	Very high	97.3	Very high	74 Å²	74	62.2 Å²	62.2	52%	0.517	38%	0.376	S	S	.	.	H	α-helix	trans	-63.7	-45.6	175.8	-168.1	0	0	0	0	111.8	K246 N247 L248 S253 A254	K246-S250 WeakPolarHBondContact O-CB 3.49Å; K246-S250 PolarHBondContact O-N 3.46Å; N247-S250 WeakPolarHBondContact O-CB 3.49Å; N247-S250 PolarHBondContact O-N 3.17Å; L248-S250 VanDerWaalsContact C-N 3.28Å; L248-S250 PolarHBondContact O-N 3.28Å; S250-S253 PolarHBondContact O-N 3.3Å; S250-A254 VanDerWaalsContact O-CB 3.25Å; S250-A254 WeakPolarHBondContact O-CB 3.45Å; S250-A254 PolarHBondContact O-N 2.88Å
251	Q	95.3	Very high	97.4	Very high	35 Å²	35	66.1 Å²	66.1	16%	0.164	39%	0.394	C	S	.	.	H	α-helix	trans	-62.3	-43.6	177.1	-71.6	178.8	-7	0	0	111.6	L215 N247 L248 S253 A254 V255 S256	L215-Q251 PolarHBondContact O-NE2 3.25Å; L215-Q251 PolarHBondContact O-OE1 3.03Å; N247-Q251 WeakPolarHBondContact O-CG 3.39Å; N247-Q251 PolarHBondContact O-N 3.29Å; L248-Q251 PolarHBondContact O-N 2.93Å; Q251-S253 VanDerWaalsContact C-N 3.35Å; Q251-S253 PolarHBondContact O-N 2.98Å; Q251-A254 PolarHBondContact O-N 2.94Å; Q251-V255 WeakPolarHBondContact O-CB 3.37Å; Q251-V255 PolarHBondContact O-N 2.82Å; Q251-S256 PolarHBondContact O-N 3.41Å
252	M	95.8	Very high	97.4	Very high	120 Å²	120	68.8 Å²	68.8	59%	0.591	40%	0.399	S	S	*	.	I	π-helix	trans	-62.7	-42.7	178.3	-171.7	173.6	70.8	0	0	111.5	L248 C249 S256 G257	L248-M252 WeakPolarHBondContact O-CB 3.3Å; L248-M252 PolarHBondContact O-N 3.38Å; C249-M252 PolarHBondContact O-N 3.36Å; M252-S256 PolarHBondContact O-N 2.75Å; M252-G257 PolarHBondContact O-N 3.42Å
253	S	97.8	Very high	97.4	Very high	94 Å²	94	67.9 Å²	67.9	66%	0.657	39%	0.388	S	S	*	.	I	π-helix	trans	-71.7	-34.8	179.2	-173.5	0	0	0	0	113.4	C249 S250 Q251 P258	C249-S253 WeakPolarHBondContact O-CB 3.38Å; C249-S253 PolarHBondContact O-N 3.46Å; S250-S253 PolarHBondContact O-N 3.3Å; Q251-S253 VanDerWaalsContact C-N 3.35Å; Q251-S253 PolarHBondContact O-N 2.98Å; S253-P258 WeakPolarHBondContact O-CD 3.25Å
254	A	96.5	Very high	97.5	Very high	69 Å²	69	70.5 Å²	70.5	57%	0.57	40%	0.396	S	S	*	.	I	π-helix	trans	-92.7	-25.8	-173.6	0	0	0	0	0	113.7	S250 Q251	S250-A254 VanDerWaalsContact O-CB 3.25Å; S250-A254 WeakPolarHBondContact O-CB 3.45Å; S250-A254 PolarHBondContact O-N 2.88Å; Q251-A254 PolarHBondContact O-N 2.94Å
255	V	96.6	Very high	97.5	Very high	26 Å²	26	72 Å²	72	16%	0.158	41%	0.406	C	S	.	.	I	π-helix	trans	-119.5	-61.4	-174.7	-170.3	0	0	0	0	111	L211 P212 L215 Q251 G257 L259	L211-V255 HydrophobicContact CD2-CG1 4.1Å; L211-V255 HydrophobicContact CG-CG1 4.34Å; P212-V255 HydrophobicContact CG-CG1 4.1Å; L215-V255 HydrophobicContact CD1-CG1 4.38Å; L215-V255 HydrophobicContact CD1-CG2 3.99Å; Q251-V255 WeakPolarHBondContact O-CB 3.37Å; Q251-V255 PolarHBondContact O-N 2.82Å; V255-G257 PolarHBondContact O-N 3.47Å; V255-L259 WeakPolarHBondContact O-CB 3.33Å; V255-L259 PolarHBondContact O-N 2.91Å
256	S	97.4	Very high	97.5	Very high	41 Å²	41	70.9 Å²	70.9	29%	0.287	39%	0.393	S	S	.	.	I	π-helix	trans	-65.7	-41.3	-172.9	-51.4	0	0	0	0	113.2	Q251 M252 L260	Q251-S256 PolarHBondContact O-N 3.41Å; M252-S256 PolarHBondContact O-N 2.75Å; S256-L260 WeakPolarHBondContact O-CB 3.44Å; S256-L260 PolarHBondContact O-N 2.93Å
257	G	97.9	Very high	97.5	Very high	35 Å²	35	68.3 Å²	68.3	36%	0.361	39%	0.386	S	S	.	.	H	α-helix	trans	-61.7	-58.1	179.3	0	0	0	0	0	112.2	M252 V255 L259 L260 Q261	M252-G257 PolarHBondContact O-N 3.42Å; V255-G257 PolarHBondContact O-N 3.47Å; G257-L259 VanDerWaalsContact C-N 3.28Å; G257-L259 PolarHBondContact O-N 3.04Å; G257-L260 PolarHBondContact O-N 3.33Å; G257-Q261 PolarHBondContact O-N 3.38Å
258	P	98.5	Very high	97.6	Very high	65 Å²	65	72.3 Å²	72.3	42%	0.422	40%	0.403	S	S	.	.	H	α-helix	trans	-58.8	-36.8	176.1	-27.7	36.7	0	0	0	113.6	S253 W262	S253-P258 WeakPolarHBondContact O-CD 3.25Å; P258-W262 WeakPolarHBondContact O-CB 3.45Å; P258-W262 PolarHBondContact O-N 3.48Å
259	L	97.9	Very high	97.6	Very high	31 Å²	31	75.9 Å²	75.9	16%	0.162	42%	0.418	C	S	.	.	H	α-helix	trans	-63.9	-45.8	176.1	178.3	62.9	0	0	0	111.9	V209 P212 V255 G257 W262 L263	V209-L259 HydrophobicContact CG1-CD2 4.34Å; P212-L259 HydrophobicContact CG-CD2 3.83Å; V255-L259 WeakPolarHBondContact O-CB 3.33Å; V255-L259 PolarHBondContact O-N 2.91Å; G257-L259 VanDerWaalsContact C-N 3.28Å; G257-L259 PolarHBondContact O-N 3.04Å; L259-W262 HydrophobicContact CD1-CE3 3.99Å; L259-W262 HydrophobicContact CD1-CZ3 4.29Å; L259-W262 PolarHBondContact O-N 3.46Å; L259-L263 HydrophobicContact CG-CD1 4.31Å; L259-L263 VanDerWaalsContact O-CG 3.3Å; L259-L263 WeakPolarHBondContact O-CG 3.48Å; L259-L263 PolarHBondContact O-N 3.4Å
260	L	98.2	Very high	97.7	Very high	96 Å²	96	76.7 Å²	76.7	50%	0.503	42%	0.418	S	S	.	.	H	α-helix	trans	-62.4	-46.7	177.7	178.8	61.8	0	0	0	111	S256 G257 W262 L263 E264	S256-L260 WeakPolarHBondContact O-CB 3.44Å; S256-L260 PolarHBondContact O-N 2.93Å; G257-L260 PolarHBondContact O-N 3.33Å; L260-W262 VanDerWaalsContact C-N 3.33Å; L260-W262 PolarHBondContact O-N 3.07Å; L260-L263 WeakPolarHBondContact O-CB 3.38Å; L260-L263 PolarHBondContact O-N 3.33Å; L260-L263 VanDerWaalsContact O-N 3.14Å; L260-E264 HydrophobicContact CD1-CG 4.43Å; L260-E264 WeakPolarHBondContact O-CG 3.4Å; L260-E264 PolarHBondContact O-N 2.83Å
261	Q	98.4	Very high	97.7	Very high	117 Å²	117	78.4 Å²	78.4	55%	0.547	42%	0.418	S	S	.	.	H	α-helix	trans	-57.3	-47.5	176.9	-176.4	178.9	-10.9	0	0	111.2	G257 L263 E264 D265	G257-Q261 PolarHBondContact O-N 3.38Å; Q261-L263 VanDerWaalsContact C-N 3.3Å; Q261-L263 PolarHBondContact O-N 3.22Å; Q261-E264 PolarHBondContact O-N 3.37Å; Q261-D265 WeakPolarHBondContact O-CB 3.35Å; Q261-D265 PolarHBondContact O-N 2.95Å
262	W	98.3	Very high	97.8	Very high	73 Å²	73	81.3 Å²	81.3	28%	0.277	43%	0.432	S	S	.	.	H	α-helix	trans	-61.1	-37.2	177.1	171.2	78.3	0	0	0	113.1	L20 I200 P258 L259 L260 R266	L20-W262 HydrophobicContact CD2-CH2 4.25Å; L20-W262 HydrophobicContact CD2-CZ2 4.06Å; I200-W262 HydrophobicContact CD1-CH2 3.55Å; I200-W262 HydrophobicContact CD1-CZ2 3.76Å; P258-W262 WeakPolarHBondContact O-CB 3.45Å; P258-W262 PolarHBondContact O-N 3.48Å; L259-W262 HydrophobicContact CD1-CE3 3.99Å; L259-W262 HydrophobicContact CD1-CZ3 4.29Å; L259-W262 PolarHBondContact O-N 3.46Å; L260-W262 VanDerWaalsContact C-N 3.33Å; L260-W262 PolarHBondContact O-N 3.07Å; W262-R266 WeakPolarHBondContact O-CB 3.38Å; W262-R266 PolarHBondContact O-N 2.87Å
263	L	98	Very high	98	Very high	52 Å²	52	79.7 Å²	79.7	27%	0.272	42%	0.423	S	S	.	.	H	α-helix	trans	-66.6	-41.1	176.6	-72.4	171.2	0	0	0	112.1	L205 V209 L259 L260 Q261 L267	L205-L263 HydrophobicContact CD1-CD2 3.6Å; V209-L263 HydrophobicContact CG1-CD1 4.15Å; L259-L263 HydrophobicContact CG-CD1 4.31Å; L259-L263 VanDerWaalsContact O-CG 3.3Å; L259-L263 WeakPolarHBondContact O-CG 3.48Å; L259-L263 PolarHBondContact O-N 3.4Å; L260-L263 WeakPolarHBondContact O-CB 3.38Å; L260-L263 PolarHBondContact O-N 3.33Å; L260-L263 VanDerWaalsContact O-N 3.14Å; Q261-L263 VanDerWaalsContact C-N 3.3Å; Q261-L263 PolarHBondContact O-N 3.22Å; L263-L267 WeakPolarHBondContact O-CB 3.24Å; L263-L267 PolarHBondContact O-N 3.41Å
264	E	98.4	Very high	98	Very high	115 Å²	115	80.9 Å²	80.9	54%	0.537	42%	0.421	S	S	.	.	H	α-helix	trans	-65.6	-48.5	176	-70.5	176.6	169.2	0	0	111.1	L260 Q261 R266 L267 E268	L260-E264 HydrophobicContact CD1-CG 4.43Å; L260-E264 WeakPolarHBondContact O-CG 3.4Å; L260-E264 PolarHBondContact O-N 2.83Å; Q261-E264 PolarHBondContact O-N 3.37Å; E264-R266 VanDerWaalsContact C-N 3.3Å; E264-R266 PolarHBondContact O-N 3.43Å; E264-L267 WeakPolarHBondContact O-CB 3.47Å; E264-L267 PolarHBondContact O-N 3.19Å; E264-L267 VanDerWaalsContact O-N 3.09Å; E264-E268 PolarHBondContact O-N 2.93Å
265	D	98.4	Very high	98.1	Very high	72 Å²	72	83.3 Å²	83.3	39%	0.385	42%	0.421	S	S	.	.	H	α-helix	trans	-59.3	-41.7	176.7	-66.3	-17.4	0	0	0	111.1	Q261 L267 E268 Q269	Q261-D265 WeakPolarHBondContact O-CB 3.35Å; Q261-D265 PolarHBondContact O-N 2.95Å; D265-L267 VanDerWaalsContact C-N 3.34Å; D265-L267 PolarHBondContact O-N 3.49Å; D265-E268 PolarHBondContact O-N 3.4Å; D265-Q269 WeakPolarHBondContact O-CG 3.42Å; D265-Q269 PolarHBondContact O-N 2.91Å
266	R	97.8	Very high	98.1	Very high	57 Å²	57	86.7 Å²	86.7	22%	0.215	44%	0.435	C	S	.	.	H	α-helix	trans	-67.1	-35.3	177.1	-173.8	172.5	-170.8	79.8	0.7	112.2	I200 W262 E264 Q269 N270	I200-R266 VanDerWaalsContact CD1-CZ 3.49Å; W262-R266 WeakPolarHBondContact O-CB 3.38Å; W262-R266 PolarHBondContact O-N 2.87Å; E264-R266 VanDerWaalsContact C-N 3.3Å; E264-R266 PolarHBondContact O-N 3.43Å; R266-Q269 PolarHBondContact O-N 2.96Å; R266-N270 WeakPolarHBondContact O-CB 3.27Å; R266-N270 PolarHBondContact O-N 3.45Å; R266-N270 PolarHBondContact O-ND2 3.41Å
267	L	98.3	Very high	98.2	Very high	100 Å²	100	88.7 Å²	88.7	52%	0.524	44%	0.442	S	S	.	.	H	α-helix	trans	-64.3	-43.9	175.5	178.4	61.9	0	0	0	110.8	L263 E264 D265 N270 Q271	L263-L267 WeakPolarHBondContact O-CB 3.24Å; L263-L267 PolarHBondContact O-N 3.41Å; E264-L267 WeakPolarHBondContact O-CB 3.47Å; E264-L267 PolarHBondContact O-N 3.19Å; E264-L267 VanDerWaalsContact O-N 3.09Å; D265-L267 VanDerWaalsContact C-N 3.34Å; D265-L267 PolarHBondContact O-N 3.49Å; L267-N270 PolarHBondContact O-N 3.21Å; L267-Q271 WeakPolarHBondContact O-CG 3.23Å; L267-Q271 PolarHBondContact O-N 3.43Å
268	E	98.4	Very high	98.2	Very high	134 Å²	134	90.8 Å²	90.8	63%	0.626	44%	0.442	S	S	*	.	H	α-helix	trans	-61.6	-45.3	175.4	-173	173.6	-168.8	0	0	111.4	E264 D265 N270 Q271 Q272	E264-E268 PolarHBondContact O-N 2.93Å; D265-E268 PolarHBondContact O-N 3.4Å; E268-N270 VanDerWaalsContact C-N 3.33Å; E268-N270 PolarHBondContact O-N 3.21Å; E268-Q271 WeakPolarHBondContact O-CB 3.41Å; E268-Q271 PolarHBondContact O-N 3.39Å; E268-Q271 VanDerWaalsContact O-N 3.14Å; E268-Q272 PolarHBondContact O-N 3.26Å
269	Q	98	Very high	98.2	Very high	121 Å²	121	93.2 Å²	93.2	57%	0.565	45%	0.448	S	S	*	.	H	α-helix	trans	-58.1	-43.2	174.4	-72.9	173.7	1.3	0	0	112.5	D265 R266 Q271 Q272 H273	D265-Q269 WeakPolarHBondContact O-CG 3.42Å; D265-Q269 PolarHBondContact O-N 2.91Å; R266-Q269 PolarHBondContact O-N 2.96Å; Q269-Q271 VanDerWaalsContact C-N 3.32Å; Q269-Q271 PolarHBondContact O-N 2.94Å; Q269-Q272 PolarHBondContact O-N 3.45Å; Q269-H273 WeakPolarHBondContact O-CB 3.41Å; Q269-H273 PolarHBondContact O-N 2.81Å
270	N	97.9	Very high	98.2	Very high	83 Å²	83	96.8 Å²	96.8	44%	0.444	46%	0.463	S	S	.	.	H	α-helix	trans	-65.9	-35.6	177.8	-72.5	-19.7	0	0	0	112	R266 L267 E268 L274	R266-N270 WeakPolarHBondContact O-CB 3.27Å; R266-N270 PolarHBondContact O-N 3.45Å; R266-N270 PolarHBondContact O-ND2 3.41Å; L267-N270 PolarHBondContact O-N 3.21Å; E268-N270 VanDerWaalsContact C-N 3.33Å; E268-N270 PolarHBondContact O-N 3.21Å; N270-L274 VanDerWaalsContact O-CB 3.28Å; N270-L274 WeakPolarHBondContact O-CB 3.43Å; N270-L274 PolarHBondContact O-N 2.63Å
271	Q	98.4	Very high	98.2	Very high	110 Å²	110	97.5 Å²	97.5	51%	0.514	46%	0.463	S	S	.	.	H	α-helix	trans	-66	-44.2	175.6	-72.8	174.5	-2.9	0	0	111.4	L267 E268 Q269 L274 Q275	L267-Q271 WeakPolarHBondContact O-CG 3.23Å; L267-Q271 PolarHBondContact O-N 3.43Å; E268-Q271 WeakPolarHBondContact O-CB 3.41Å; E268-Q271 PolarHBondContact O-N 3.39Å; E268-Q271 VanDerWaalsContact O-N 3.14Å; Q269-Q271 VanDerWaalsContact C-N 3.32Å; Q269-Q271 PolarHBondContact O-N 2.94Å; Q271-L274 PolarHBondContact O-N 3.35Å; Q271-Q275 WeakPolarHBondContact O-CG 3.42Å; Q271-Q275 PolarHBondContact O-N 3.49Å
272	Q	98.1	Very high	98.1	Very high	96 Å²	96	96.2 Å²	96.2	45%	0.449	46%	0.456	S	S	.	.	H	α-helix	trans	-62.1	-47.7	175.2	-179.4	57.8	36.3	0	0	111.1	E268 Q269 L274 Q275 E276	E268-Q272 PolarHBondContact O-N 3.26Å; Q269-Q272 PolarHBondContact O-N 3.45Å; Q272-L274 VanDerWaalsContact C-N 3.28Å; Q272-L274 PolarHBondContact O-N 3.4Å; Q272-Q275 WeakPolarHBondContact O-CB 3.31Å; Q272-Q275 PolarHBondContact O-N 2.94Å; Q272-Q275 VanDerWaalsContact O-N 3.11Å; Q272-E276 PolarHBondContact NE2-OE1 2.99Å; Q272-E276 PolarHBondContact O-N 3.23Å; Q272-E276 VanDerWaalsContact O-N 3.15Å
273	H	97.9	Very high	98.1	Very high	87 Å²	87	97.7 Å²	97.7	40%	0.403	47%	0.467	S	S	.	.	H	α-helix	trans	-62.3	-35.7	178.8	-170.7	52.5	0	0	0	112.6	Q269 Q275 E276 L277	Q269-H273 WeakPolarHBondContact O-CB 3.41Å; Q269-H273 PolarHBondContact O-N 2.81Å; H273-Q275 VanDerWaalsContact C-N 3.33Å; H273-Q275 PolarHBondContact O-N 3.42Å; H273-E276 IonicContact ND1-OE2 2.64Å; H273-E276 PolarHBondContact O-N 2.83Å; H273-L277 WeakPolarHBondContact NE2-CD1 3.3Å; H273-L277 WeakPolarHBondContact O-CB 3.46Å; H273-L277 WeakPolarHBondContact O-CG 3.49Å; H273-L277 PolarHBondContact O-N 3.4Å
274	L	98.3	Very high	98.1	Very high	118 Å²	118	99.7 Å²	99.7	62%	0.618	48%	0.477	S	S	*	.	H	α-helix	trans	-64.7	-36.9	175.6	-174.9	147.3	0	0	0	112.1	N270 Q271 Q272 Q278	N270-L274 VanDerWaalsContact O-CB 3.28Å; N270-L274 WeakPolarHBondContact O-CB 3.43Å; N270-L274 PolarHBondContact O-N 2.63Å; Q271-L274 PolarHBondContact O-N 3.35Å; Q272-L274 VanDerWaalsContact C-N 3.28Å; Q272-L274 PolarHBondContact O-N 3.4Å; L274-Q278 VanDerWaalsContact O-CB 3.27Å; L274-Q278 WeakPolarHBondContact O-CB 3.47Å; L274-Q278 PolarHBondContact O-N 2.94Å
275	Q	98.2	Very high	98.1	Very high	121 Å²	121	98.9 Å²	98.9	57%	0.565	47%	0.474	S	S	*	.	H	α-helix	trans	-65.8	-44.3	175.5	-67.4	174.4	14.3	0	0	111.3	Q271 Q272 H273 Q278 Q279	Q271-Q275 WeakPolarHBondContact O-CG 3.42Å; Q271-Q275 PolarHBondContact O-N 3.49Å; Q272-Q275 WeakPolarHBondContact O-CB 3.31Å; Q272-Q275 PolarHBondContact O-N 2.94Å; Q272-Q275 VanDerWaalsContact O-N 3.11Å; H273-Q275 VanDerWaalsContact C-N 3.33Å; H273-Q275 PolarHBondContact O-N 3.42Å; Q275-Q278 PolarHBondContact O-N 3.27Å; Q275-Q279 PolarHBondContact O-N 3.27Å
276	E	98.2	Very high	98	Very high	97 Å²	97	101.7 Å²	101.7	45%	0.453	49%	0.485	S	S	.	.	H	α-helix	trans	-60.4	-48.4	176.8	-69.6	166.4	-170.2	0	0	111.6	Q272 H273 Q278 Q279 E280	Q272-E276 PolarHBondContact NE2-OE1 2.99Å; Q272-E276 PolarHBondContact O-N 3.23Å; Q272-E276 VanDerWaalsContact O-N 3.15Å; H273-E276 IonicContact ND1-OE2 2.64Å; H273-E276 PolarHBondContact O-N 2.83Å; E276-Q278 VanDerWaalsContact C-N 3.29Å; E276-Q278 PolarHBondContact O-N 2.98Å; E276-Q279 PolarHBondContact O-N 3.15Å; E276-E280 PolarHBondContact O-N 3.25Å
277	L	98.1	Very high	98	Very high	83 Å²	83	104.7 Å²	104.7	44%	0.435	50%	0.502	S	S	.	.	H	α-helix	trans	-63.6	-34.2	177.4	-72.6	175.6	0	0	0	112.7	H273 K281	H273-L277 WeakPolarHBondContact NE2-CD1 3.3Å; H273-L277 WeakPolarHBondContact O-CB 3.46Å; H273-L277 WeakPolarHBondContact O-CG 3.49Å; H273-L277 PolarHBondContact O-N 3.4Å; L277-K281 WeakPolarHBondContact O-CB 3.3Å; L277-K281 PolarHBondContact O-N 3.28Å
278	Q	98.2	Very high	97.9	Very high	79 Å²	79	105.3 Å²	105.3	37%	0.369	51%	0.505	S	S	.	.	H	α-helix	trans	-69.7	-39.9	177.3	-178.7	59.2	31	0	0	111.3	L274 Q275 E276 K281 E282	L274-Q278 VanDerWaalsContact O-CB 3.27Å; L274-Q278 WeakPolarHBondContact O-CB 3.47Å; L274-Q278 PolarHBondContact O-N 2.94Å; Q275-Q278 PolarHBondContact O-N 3.27Å; E276-Q278 VanDerWaalsContact C-N 3.29Å; E276-Q278 PolarHBondContact O-N 2.98Å; Q278-K281 PolarHBondContact O-N 2.61Å; Q278-E282 PolarHBondContact NE2-OE1 3.4Å; Q278-E282 WeakPolarHBondContact O-CG 3.36Å; Q278-E282 PolarHBondContact O-N 2.97Å; Q278-E282 VanDerWaalsContact O-N 3.1Å
279	Q	98.1	Very high	97.8	Very high	116 Å²	116	102.6 Å²	102.6	54%	0.542	50%	0.501	S	S	.	.	H	α-helix	trans	-63.7	-49.3	173.6	-178.3	178.4	-12	0	0	111.3	Q275 E276 K281 E282 E283	Q275-Q279 PolarHBondContact O-N 3.27Å; E276-Q279 PolarHBondContact O-N 3.15Å; Q279-K281 VanDerWaalsContact C-N 3.27Å; Q279-K281 PolarHBondContact O-N 3.46Å; Q279-E282 PolarHBondContact O-N 2.94Å; Q279-E283 WeakPolarHBondContact CG-OE1 3.41Å; Q279-E283 PolarHBondContact NE2-OE1 2.89Å; Q279-E283 WeakPolarHBondContact O-CG 3.45Å; Q279-E283 PolarHBondContact O-N 3.29Å
280	E	98.1	Very high	97.6	Very high	105 Å²	105	101 Å²	101	49%	0.491	50%	0.503	S	S	.	.	H	α-helix	trans	-58.4	-41.4	178.2	-175.6	179.9	-177.4	0	0	111.4	E276 E282 E283 L284	E276-E280 PolarHBondContact O-N 3.25Å; E280-E282 VanDerWaalsContact C-N 3.34Å; E280-E282 PolarHBondContact O-N 3.26Å; E280-E283 PolarHBondContact O-N 3.08Å; E280-L284 HydrophobicContact CG-CD1 4.01Å; E280-L284 HydrophobicContact CG-CG 4.48Å; E280-L284 WeakPolarHBondContact O-CB 3.38Å; E280-L284 VanDerWaalsContact O-CG 3.31Å; E280-L284 WeakPolarHBondContact O-CG 3.44Å; E280-L284 PolarHBondContact O-N 2.97Å
281	K	98.1	Very high	97.4	Very high	112 Å²	112	103.5 Å²	103.5	49%	0.487	52%	0.516	S	S	.	.	H	α-helix	trans	-59.6	-43.2	174.8	-178.1	-169.6	172.7	-176.6	0	112	L277 Q278 Q279 M285	L277-K281 WeakPolarHBondContact O-CB 3.3Å; L277-K281 PolarHBondContact O-N 3.28Å; Q278-K281 PolarHBondContact O-N 2.61Å; Q279-K281 VanDerWaalsContact C-N 3.27Å; Q279-K281 PolarHBondContact O-N 3.46Å; K281-M285 HydrophobicContact CG-CE 4.08Å; K281-M285 HydrophobicContact CG-SD 4.34Å; K281-M285 WeakPolarHBondContact O-CB 3.17Å; K281-M285 VanDerWaalsContact O-CG 3.24Å; K281-M285 WeakPolarHBondContact O-CG 3.47Å; K281-M285 PolarHBondContact O-N 2.88Å
282	E	97.9	Very high	96.2	Very high	89 Å²	89	109 Å²	109	42%	0.416	54%	0.541	S	S	.	.	H	α-helix	trans	-65.8	-43.2	179.1	-75.2	172.7	-158.5	0	0	112.1	Q278 Q279 E280 M285 Q286	Q278-E282 PolarHBondContact NE2-OE1 3.4Å; Q278-E282 WeakPolarHBondContact O-CG 3.36Å; Q278-E282 PolarHBondContact O-N 2.97Å; Q278-E282 VanDerWaalsContact O-N 3.1Å; Q279-E282 PolarHBondContact O-N 2.94Å; E280-E282 VanDerWaalsContact C-N 3.34Å; E280-E282 PolarHBondContact O-N 3.26Å; E282-M285 HydrophobicContact CG-CE 4.12Å; E282-M285 PolarHBondContact O-N 2.82Å; E282-Q286 WeakPolarHBondContact O-CG 3.3Å; E282-Q286 PolarHBondContact O-N 3.36Å; E282-Q286 VanDerWaalsContact O-N 3.08Å
283	E	97.6	Very high	96.1	Very high	105 Å²	105	109.6 Å²	109.6	49%	0.491	55%	0.546	S	S	.	.	H	α-helix	trans	-60.7	-48.1	176.1	-69.4	174.8	-170.6	0	0	111.3	Q279 E280 M285 Q286 E287	Q279-E283 WeakPolarHBondContact CG-OE1 3.41Å; Q279-E283 PolarHBondContact NE2-OE1 2.89Å; Q279-E283 WeakPolarHBondContact O-CG 3.45Å; Q279-E283 PolarHBondContact O-N 3.29Å; E280-E283 PolarHBondContact O-N 3.08Å; E283-M285 PolarHBondContact O-N 2.93Å; E283-Q286 PolarHBondContact O-N 3.46Å; E283-E287 PolarHBondContact O-N 3.34Å
284	L	97.9	Very high	96	Very high	93 Å²	93	110.8 Å²	110.8	49%	0.487	55%	0.553	S	S	.	*	H	α-helix	trans	-65.1	-36.9	178.5	-71.2	172.6	0	0	0	112.9	E280 Q286 E287 L288	E280-L284 HydrophobicContact CG-CD1 4.01Å; E280-L284 HydrophobicContact CG-CG 4.48Å; E280-L284 WeakPolarHBondContact O-CB 3.38Å; E280-L284 VanDerWaalsContact O-CG 3.31Å; E280-L284 WeakPolarHBondContact O-CG 3.44Å; E280-L284 PolarHBondContact O-N 2.97Å; L284-Q286 VanDerWaalsContact C-N 3.35Å; L284-E287 PolarHBondContact O-N 3.31Å; L284-L288 WeakPolarHBondContact O-CB 3.26Å; L284-L288 PolarHBondContact O-N 3.07Å
285	M	97.5	Very high	95.9	Very high	98 Å²	98	110.4 Å²	110.4	48%	0.483	55%	0.55	S	S	.	.	H	α-helix	trans	-65.9	-38.4	175.9	-76.7	-174	-53.5	0	0	111.9	K281 E282 E283 S289	K281-M285 HydrophobicContact CG-CE 4.08Å; K281-M285 HydrophobicContact CG-SD 4.34Å; K281-M285 WeakPolarHBondContact O-CB 3.17Å; K281-M285 VanDerWaalsContact O-CG 3.24Å; K281-M285 WeakPolarHBondContact O-CG 3.47Å; K281-M285 PolarHBondContact O-N 2.88Å; E282-M285 HydrophobicContact CG-CE 4.12Å; E282-M285 PolarHBondContact O-N 2.82Å; E283-M285 PolarHBondContact O-N 2.93Å; M285-S289 WeakPolarHBondContact O-CB 3.32Å; M285-S289 PolarHBondContact O-N 3.34Å; M285-S289 PolarHBondContact O-OG 3.01Å
286	Q	96.9	Very high	95.8	Very high	132 Å²	132	109.8 Å²	109.8	62%	0.617	55%	0.549	S	S	*	.	H	α-helix	trans	-65.8	-46.8	175.9	-72	176	15.7	0	0	111.1	E282 E283 L284 L288 S289 S290	E282-Q286 WeakPolarHBondContact O-CG 3.3Å; E282-Q286 PolarHBondContact O-N 3.36Å; E282-Q286 VanDerWaalsContact O-N 3.08Å; E283-Q286 PolarHBondContact O-N 3.46Å; L284-Q286 VanDerWaalsContact C-N 3.35Å; Q286-L288 VanDerWaalsContact C-N 3.35Å; Q286-L288 PolarHBondContact O-N 3.24Å; Q286-S289 PolarHBondContact O-N 2.83Å; Q286-S289 PolarHBondContact O-OG 3.11Å; Q286-S290 PolarHBondContact O-N 3Å; Q286-S290 VanDerWaalsContact O-N 3.09Å
287	E	97.2	Very high	95.6	Very high	119 Å²	119	110.6 Å²	110.6	56%	0.556	56%	0.555	S	S	*	*	H	α-helix	trans	-58.7	-47	176.7	-172.6	176.6	-175.7	0	0	111.2	E283 L284 S289 S290 L291	E283-E287 PolarHBondContact O-N 3.34Å; L284-E287 PolarHBondContact O-N 3.31Å; E287-S289 VanDerWaalsContact C-N 3.34Å; E287-S289 PolarHBondContact O-N 3.38Å; E287-S290 PolarHBondContact O-N 3.23Å; E287-S290 VanDerWaalsContact O-N 3.1Å; E287-S290 PolarHBondContact O-OG 3.38Å; E287-L291 WeakPolarHBondContact O-CG 3.28Å; E287-L291 PolarHBondContact O-N 3.45Å
288	L	96.8	Very high	95.5	Very high	114 Å²	114	112.4 Å²	112.4	60%	0.597	56%	0.563	S	S	*	*	H	α-helix	trans	-60.5	-43.3	178.1	-165.5	75.9	0	0	0	112	L284 Q286 S290 L291	L284-L288 WeakPolarHBondContact O-CB 3.26Å; L284-L288 PolarHBondContact O-N 3.07Å; Q286-L288 VanDerWaalsContact C-N 3.35Å; Q286-L288 PolarHBondContact O-N 3.24Å; L288-S290 PolarHBondContact O-N 2.94Å; L288-L291 PolarHBondContact O-N 2.82Å; L288-L291 VanDerWaalsContact O-N 3.16Å
289	S	95.8	Very high	95.3	Very high	77 Å²	77	114.8 Å²	114.8	54%	0.538	58%	0.577	S	S	.	*	H	α-helix	trans	-66.3	-22.2	178.1	72.3	0	0	0	0	113.7	M285 Q286 E287 L291	M285-S289 WeakPolarHBondContact O-CB 3.32Å; M285-S289 PolarHBondContact O-N 3.34Å; M285-S289 PolarHBondContact O-OG 3.01Å; Q286-S289 PolarHBondContact O-N 2.83Å; Q286-S289 PolarHBondContact O-OG 3.11Å; E287-S289 VanDerWaalsContact C-N 3.34Å; E287-S289 PolarHBondContact O-N 3.38Å; S289-L291 VanDerWaalsContact C-N 3.35Å
290	S	94.3	Very high	95.1	Very high	88 Å²	88	114.7 Å²	114.7	62%	0.615	58%	0.579	S	S	*	*	H	α-helix	trans	-83.7	-12.5	177.3	76.2	0	0	0	0	113.6	Q286 E287 L288	Q286-S290 PolarHBondContact O-N 3Å; Q286-S290 VanDerWaalsContact O-N 3.09Å; E287-S290 PolarHBondContact O-N 3.23Å; E287-S290 VanDerWaalsContact O-N 3.1Å; E287-S290 PolarHBondContact O-OG 3.38Å; L288-S290 PolarHBondContact O-N 2.94Å
291	L	93.6	Very high	94.8	Very high	134 Å²	134	115.5 Å²	115.5	70%	0.702	59%	0.587	S	S	*	*			trans	-93	-12.2	178.5	-68	168.4	0	0	0	113.1	E287 L288 S289	E287-L291 WeakPolarHBondContact O-CG 3.28Å; E287-L291 PolarHBondContact O-N 3.45Å; L288-L291 PolarHBondContact O-N 2.82Å; L288-L291 VanDerWaalsContact O-N 3.16Å; S289-L291 VanDerWaalsContact C-N 3.35Å
292	E	74	Confident	94.5	Very high	225 Å²	225	115.8 Å²	115.8	100%	1.051	60%	0.596	S	S	*	*			trans	-91.3	0	171.1	-67.3	-170.7	163.7	0	0	111.9

Retrieved 292 of 292 residues in 151 ms (Link to these results)

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