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Mitochondrial inner membrane subdomain organizer 1

Regulates mitochondrial morphology and mitochondrial DNA (mtDNA) homeostasis. Promotes the formation of specialized mitochondrial subdomains called small MTFP1-enriched mitochondria (SMEM). Negatively regulates mitochondrial fusion by excluding fusion coordinator OPA1 from SMEM. Recruits mtDNA, potentially through interaction with SSBP1, and facilitates mtDNA transport to the mitochondrial periphery. Also recruits other proteins, including PHB1, PHB2 and MTFP1, into SMEM which promotes peripheral mitochondrial fission, facilitating lysosome-mediated clearance of damaged mtDNA via mitophagy.

AlphaFold DB , UniProt , Accession A0A061IL96, Species CRIGR (Cricetulus griseus, Chinese hamster), Gene CUNH3orf33, Length 293 aa.

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(Predicted Aligned Error values between residue pairs)

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Site	Residue	pLDDT	pLDDT confidence	pLDDT₁₀	pLDDT10 confidence	SASA	SASA [Å²]	SASA₁₀	SASA10 [Å²]	RSA	RSA unformatted	RSA₁₀	RSA10 unformatted	Surface	Surface10 (not used)	Disorder (not used)	Disorder	Sec. str.	Secondary structure	Isomer	Phi (φ)	Psi (ψ)	Omega (ω)	Chi 1 (χ₁)	Chi 2 (χ₂)	Chi 3 (χ₃)	Chi 4 (χ₄)	Chi 5 (χ₅)	Tau (τ)	Contacts (colored by PAE)	Contact details
1	M	39.5	Very low	43.3	Very low	243 Å²	243	148.5 Å²	148.5	100%	1.197	86%	0.861	S	S	*	*				0	126.1	0	-87.7	174.8	168.3	0	0	108.9
2	A	39	Very low	43.8	Very low	98 Å²	98	143 Å²	143	81%	0.81	85%	0.846	S	S	*	*			trans	49.3	113.1	153.2	0	0	0	0	0	121.2
3	R	46	Very low	44.1	Very low	246 Å²	246	141.2 Å²	141.2	93%	0.928	84%	0.84	S	S	*	*				-69.6	149.6	128.4	-87	-176.3	175.6	176.1	-0.6	107.9
4	P	57	Low	44.6	Very low	109 Å²	109	142.9 Å²	142.9	71%	0.708	84%	0.844	S	S	*	*				-152	-170.2	71.8	41.2	-19.1	0	0	0	112.7
5	L	39.8	Very low	45.5	Very low	158 Å²	158	146.9 Å²	146.9	83%	0.827	84%	0.839	S	S	*	*			cis	-157.2	151.7	14.7	-144.6	136.5	0	0	0	109.4
6	A	49.9	Very low	46.2	Very low	89 Å²	89	144.8 Å²	144.8	74%	0.736	82%	0.824	S	S	*	*			trans	-59.9	148.3	177.8	0	0	0	0	0	114.5
7	S	39.8	Very low	46.9	Very low	125 Å²	125	142.5 Å²	142.5	87%	0.874	82%	0.816	S	S	*	*			trans	-110.2	118.3	151	64.2	0	0	0	0	109.4
8	L	48.2	Very low	47.6	Very low	179 Å²	179	137.3 Å²	137.3	94%	0.937	80%	0.798	S	S	*	*			trans	-85.3	125.8	172.2	-161.2	83.2	0	0	0	107.1
9	G	36.7	Very low	48.3	Very low	66 Å²	66	136.7 Å²	136.7	68%	0.68	79%	0.787	S	S	*	*			trans	-154.7	72.9	-178.7	0	0	0	0	0	113
10	S	40.9	Very low	49.1	Very low	118 Å²	118	132.2 Å²	132.2	83%	0.825	77%	0.767	S	S	*	*			trans	43.7	92.6	149.4	60.4	0	0	0	0	118.3	A12	S10-A12 PolarHBondContact O-N 3.32Å
11	Q	40	Very low	50.2	Low	202 Å²	202	130.1 Å²	130.1	94%	0.944	75%	0.753	S	S	*	*			trans	-77.2	109.5	159.7	-152.5	169.5	7.3	0	0	107.8
12	A	48.8	Very low	52	Low	83 Å²	83	122.9 Å²	122.9	69%	0.686	72%	0.723	S	S	*	*			trans	-63.8	145.6	170.8	0	0	0	0	0	109.4	S10 D14	S10-A12 PolarHBondContact O-N 3.32Å; A12-D14 PolarHBondContact O-N 3.49Å
13	P	47.3	Very low	53.8	Low	119 Å²	119	123 Å²	123	77%	0.773	71%	0.713	S	S	*	*			trans	-66.3	129	-178.1	27.4	-31.5	0	0	0	109.6	R15	P13-R15 PolarHBondContact O-N 3.38Å
14	D	51.9	Low	55.4	Low	166 Å²	166	114.7 Å²	114.7	89%	0.888	69%	0.69	S	S	*	*			trans	-56.9	108	175.5	-145	-4.2	0	0	0	108.2	A12	A12-D14 PolarHBondContact O-N 3.49Å
15	R	57.1	Low	56.2	Low	203 Å²	203	117.8 Å²	117.8	77%	0.766	69%	0.687	S	S	*	*			trans	-81.8	123.7	178.5	-102.2	-177.5	166.7	168.9	-2.6	107.8	P13	P13-R15 PolarHBondContact O-N 3.38Å
16	D	57.3	Low	57.9	Low	112 Å²	112	114.5 Å²	114.5	60%	0.599	67%	0.673	S	S	*	*			trans	-48.3	123.9	179.9	-84.7	-42.2	0	0	0	111.3	G18 E19 A20	D16-G18 PolarHBondContact O-N 3.39Å; D16-E19 HydrophobicContact CB-CG 4.38Å; D16-E19 PolarHBondContact O-N 3.29Å; D16-A20 PolarHBondContact O-N 3.3Å
17	P	57.7	Low	59	Low	106 Å²	106	113 Å²	113	69%	0.688	66%	0.658	S	S	*	*	H	α-helix	trans	-61.3	-21	-175.3	20	-30.1	0	0	0	112.7	N21	P17-N21 WeakPolarHBondContact O-CB 3.42Å; P17-N21 PolarHBondContact O-N 3.38Å
18	G	59.9	Low	60.7	Low	49 Å²	49	113.2 Å²	113.2	51%	0.505	65%	0.645	S	S	.	*	H	α-helix	trans	-69.6	-42	173	0	0	0	0	0	113.7	D16 N21 V22	D16-G18 PolarHBondContact O-N 3.39Å; G18-N21 PolarHBondContact O-N 3.12Å; G18-V22 WeakPolarHBondContact O-CG2 3.2Å; G18-V22 PolarHBondContact O-N 3.32Å; G18-V22 VanDerWaalsContact O-N 3.17Å
19	E	60.6	Low	62.1	Low	126 Å²	126	111.4 Å²	111.4	59%	0.589	63%	0.626	S	S	*	*	H	α-helix	trans	-69.8	-41	177.3	-68	-162.1	153.6	0	0	111.1	D16 N21 V22 V23	D16-E19 HydrophobicContact CB-CG 4.38Å; D16-E19 PolarHBondContact O-N 3.29Å; E19-N21 VanDerWaalsContact C-N 3.27Å; E19-N21 PolarHBondContact O-N 3.29Å; E19-V22 PolarHBondContact O-N 3.13Å; E19-V23 WeakPolarHBondContact O-CB 3.48Å; E19-V23 VanDerWaalsContact O-CG2 3.25Å; E19-V23 WeakPolarHBondContact O-CG2 3.44Å; E19-V23 PolarHBondContact O-N 3.43Å
20	A	63.8	Low	63.7	Low	46 Å²	46	109.9 Å²	109.9	38%	0.38	61%	0.607	S	S	.	*	H	α-helix	trans	-58.7	-41.1	176	0	0	0	0	0	111.4	D16 T24	D16-A20 PolarHBondContact O-N 3.3Å; A20-T24 WeakPolarHBondContact O-CB 3.48Å; A20-T24 WeakPolarHBondContact O-CG2 3.27Å; A20-T24 PolarHBondContact O-N 3.41Å; A20-T24 PolarHBondContact O-OG1 3.5Å
21	N	73.9	Confident	65.2	Low	90 Å²	90	109 Å²	109	48%	0.481	59%	0.593	S	S	.	*	H	α-helix	trans	-74.3	-31.2	-177.7	-153.6	0.9	0	0	0	113.5	P17 G18 E19 T24 R25	P17-N21 WeakPolarHBondContact O-CB 3.42Å; P17-N21 PolarHBondContact O-N 3.38Å; G18-N21 PolarHBondContact O-N 3.12Å; E19-N21 VanDerWaalsContact C-N 3.27Å; E19-N21 PolarHBondContact O-N 3.29Å; N21-T24 WeakPolarHBondContact CA-OG1 3.46Å; N21-T24 PolarHBondContact O-OG1 3.1Å; N21-T24 VanDerWaalsContact O-OG1 3.11Å; N21-R25 WeakPolarHBondContact O-CB 3.21Å; N21-R25 WeakPolarHBondContact O-CG 3.29Å; N21-R25 PolarHBondContact O-N 3.36Å; N21-R25 VanDerWaalsContact O-N 3.11Å
22	V	76.5	Confident	67	Low	91 Å²	91	105.8 Å²	105.8	55%	0.552	58%	0.582	S	S	*	*	H	α-helix	trans	-74.1	-45.1	173.8	176	0	0	0	0	110.4	G18 E19 T24 R25 V26	G18-V22 WeakPolarHBondContact O-CG2 3.2Å; G18-V22 PolarHBondContact O-N 3.32Å; G18-V22 VanDerWaalsContact O-N 3.17Å; E19-V22 PolarHBondContact O-N 3.13Å; V22-T24 VanDerWaalsContact C-N 3.35Å; V22-T24 PolarHBondContact O-N 3.03Å; V22-R25 PolarHBondContact O-N 3.39Å; V22-V26 HydrophobicContact CG1-CG2 4.43Å; V22-V26 WeakPolarHBondContact O-CB 3.5Å; V22-V26 VanDerWaalsContact O-CG2 3.27Å; V22-V26 WeakPolarHBondContact O-CG2 3.46Å; V22-V26 PolarHBondContact O-N 3.19Å
23	V	77.4	Confident	68.1	Low	99 Å²	99	105.4 Å²	105.4	60%	0.6	57%	0.566	S	S	*	*	H	α-helix	trans	-64.9	-40	178.2	175.1	0	0	0	0	110.8	E19 V26 S27	E19-V23 WeakPolarHBondContact O-CB 3.48Å; E19-V23 VanDerWaalsContact O-CG2 3.25Å; E19-V23 WeakPolarHBondContact O-CG2 3.44Å; E19-V23 PolarHBondContact O-N 3.43Å; V23-V26 PolarHBondContact O-N 2.97Å; V23-S27 VanDerWaalsContact O-CB 3.25Å; V23-S27 WeakPolarHBondContact O-CB 3.2Å; V23-S27 PolarHBondContact O-N 2.76Å
24	T	78.2	Confident	69.4	Low	73 Å²	73	103.3 Å²	103.3	45%	0.448	55%	0.548	S	S	.	.	H	α-helix	trans	-67.7	-39.5	175.5	55	0	0	0	0	112	A20 N21 V22 S27 Q28	A20-T24 WeakPolarHBondContact O-CB 3.48Å; A20-T24 WeakPolarHBondContact O-CG2 3.27Å; A20-T24 PolarHBondContact O-N 3.41Å; A20-T24 PolarHBondContact O-OG1 3.5Å; N21-T24 WeakPolarHBondContact CA-OG1 3.46Å; N21-T24 PolarHBondContact O-OG1 3.1Å; N21-T24 VanDerWaalsContact O-OG1 3.11Å; V22-T24 VanDerWaalsContact C-N 3.35Å; V22-T24 PolarHBondContact O-N 3.03Å; T24-S27 PolarHBondContact O-N 3.2Å; T24-Q28 WeakPolarHBondContact O-CB 3.4Å; T24-Q28 PolarHBondContact O-N 3.36Å
25	R	74.6	Confident	70.5	Confident	174 Å²	174	105.3 Å²	105.3	66%	0.657	54%	0.543	S	S	*	.	H	α-helix	trans	-63.5	-41.4	173.4	-83.1	-177.6	-176.6	-163.9	0.9	112.9	N21 V22 W29	N21-R25 WeakPolarHBondContact O-CB 3.21Å; N21-R25 WeakPolarHBondContact O-CG 3.29Å; N21-R25 PolarHBondContact O-N 3.36Å; N21-R25 VanDerWaalsContact O-N 3.11Å; V22-R25 PolarHBondContact O-N 3.39Å; R25-W29 WeakPolarHBondContact O-CB 3.45Å; R25-W29 PolarHBondContact O-N 2.87Å
26	V	74.6	Confident	71.6	Confident	88 Å²	88	99.9 Å²	99.9	53%	0.533	53%	0.529	S	S	.	.	H	α-helix	trans	-67.6	-41.3	176.6	172.6	0	0	0	0	110.4	V22 V23 A30	V22-V26 HydrophobicContact CG1-CG2 4.43Å; V22-V26 WeakPolarHBondContact O-CB 3.5Å; V22-V26 VanDerWaalsContact O-CG2 3.27Å; V22-V26 WeakPolarHBondContact O-CG2 3.46Å; V22-V26 PolarHBondContact O-N 3.19Å; V23-V26 PolarHBondContact O-N 2.97Å; V26-A30 WeakPolarHBondContact O-CB 3.04Å; V26-A30 PolarHBondContact O-N 2.71Å
27	S	74.3	Confident	72.7	Confident	59 Å²	59	97.6 Å²	97.6	41%	0.413	52%	0.519	S	S	.	.	H	α-helix	trans	-62	-48	174.8	-165.1	0	0	0	0	111	V23 T24 W29 A30 D31	V23-S27 VanDerWaalsContact O-CB 3.25Å; V23-S27 WeakPolarHBondContact O-CB 3.2Å; V23-S27 PolarHBondContact O-N 2.76Å; T24-S27 PolarHBondContact O-N 3.2Å; S27-W29 PolarHBondContact O-N 3.08Å; S27-A30 PolarHBondContact O-N 3.17Å; S27-D31 WeakPolarHBondContact O-CB 3.12Å; S27-D31 PolarHBondContact O-N 3.42Å
28	Q	75.4	Confident	73.7	Confident	128 Å²	128	97.6 Å²	97.6	60%	0.598	51%	0.51	S	S	*	.	H	α-helix	trans	-69.1	-34.2	-178.2	-160.3	173.1	20.5	0	0	112.2	T24 N32	T24-Q28 WeakPolarHBondContact O-CB 3.4Å; T24-Q28 PolarHBondContact O-N 3.36Å; Q28-N32 WeakPolarHBondContact O-CB 3.46Å; Q28-N32 PolarHBondContact O-N 3.34Å
29	W	76.3	Confident	75	Confident	141 Å²	141	100.7 Å²	100.7	53%	0.534	52%	0.515	S	S	.	.	H	α-helix	trans	-68.3	-43.9	171.5	179.5	87.1	0	0	0	111.7	R25 S27 D31 N32 H33 V37	R25-W29 WeakPolarHBondContact O-CB 3.45Å; R25-W29 PolarHBondContact O-N 2.87Å; S27-W29 PolarHBondContact O-N 3.08Å; W29-D31 VanDerWaalsContact C-N 3.32Å; W29-N32 PolarHBondContact O-N 2.8Å; W29-H33 AromaticContact CD1-CE1 3.84Å; W29-H33 AromaticContact CD1-ND1 3.62Å; W29-H33 AromaticContact CE2-ND1 3.95Å; W29-H33 AromaticContact NE1-CE1 3.68Å; W29-H33 AromaticContact NE1-ND1 3.54Å; W29-H33 WeakPolarHBondContact O-CB 3.28Å; W29-H33 PolarHBondContact O-N 3.05Å; W29-H33 PolarHBondContact O-ND1 3.39Å; W29-H33 VanDerWaalsContact O-ND1 3.08Å; W29-V37 HydrophobicContact CH2-CG2 4.39Å; W29-V37 HydrophobicContact CZ3-CG2 4.12Å
30	A	71.3	Confident	76.2	Confident	34 Å²	34	99.7 Å²	99.7	28%	0.281	51%	0.512	S	S	.	.	H	α-helix	trans	-63.5	-38.1	175.6	0	0	0	0	0	111.6	V26 S27 H33 L34	V26-A30 WeakPolarHBondContact O-CB 3.04Å; V26-A30 PolarHBondContact O-N 2.71Å; S27-A30 PolarHBondContact O-N 3.17Å; A30-H33 CarbonylContact O-C 3.42Å; A30-H33 PolarHBondContact O-N 2.93Å; A30-L34 WeakPolarHBondContact O-CA 3.32Å; A30-L34 WeakPolarHBondContact O-CB 3.32Å; A30-L34 PolarHBondContact O-N 2.69Å
31	D	72.3	Confident	77.3	Confident	100 Å²	100	101.1 Å²	101.1	54%	0.535	52%	0.519	S	S	.	.	H	α-helix	trans	-68.4	-41.2	176.9	-73.2	-27.8	0	0	0	111.7	S27 W29	S27-D31 WeakPolarHBondContact O-CB 3.12Å; S27-D31 PolarHBondContact O-N 3.42Å; W29-D31 VanDerWaalsContact C-N 3.32Å
32	N	77.2	Confident	78	Confident	135 Å²	135	100.5 Å²	100.5	72%	0.722	52%	0.519	S	S	*	.	H	α-helix	trans	-71.5	-29.4	175	-91.5	-5	0	0	0	113.4	Q28 W29	Q28-N32 WeakPolarHBondContact O-CB 3.46Å; Q28-N32 PolarHBondContact O-N 3.34Å; W29-N32 PolarHBondContact O-N 2.8Å
33	H	72.1	Confident	78.7	Confident	74 Å²	74	97.8 Å²	97.8	34%	0.343	51%	0.509	S	S	.	.	T	Hydrogen-bonded Turn	trans	-108.2	21.2	-178	-66.1	81.2	0	0	0	112.7	W29 A30 R35 L36 V37	W29-H33 AromaticContact CD1-CE1 3.84Å; W29-H33 AromaticContact CD1-ND1 3.62Å; W29-H33 AromaticContact CE2-ND1 3.95Å; W29-H33 AromaticContact NE1-CE1 3.68Å; W29-H33 AromaticContact NE1-ND1 3.54Å; W29-H33 WeakPolarHBondContact O-CB 3.28Å; W29-H33 PolarHBondContact O-N 3.05Å; W29-H33 PolarHBondContact O-ND1 3.39Å; W29-H33 VanDerWaalsContact O-ND1 3.08Å; A30-H33 CarbonylContact O-C 3.42Å; A30-H33 PolarHBondContact O-N 2.93Å; H33-R35 PolarHBondContact O-N 2.94Å; H33-R35 VanDerWaalsContact O-N 3.11Å; H33-L36 HydrophobicContact CB-CB 4.23Å; H33-L36 CarbonylContact O-C 3.58Å; H33-L36 WeakPolarHBondContact O-CA 3.35Å; H33-L36 WeakPolarHBondContact O-CB 3.26Å; H33-L36 PolarHBondContact O-N 3.38Å; H33-V37 PolarHBondContact O-N 3.46Å
34	L	76.1	Confident	79.4	Confident	76 Å²	76	99.6 Å²	99.6	40%	0.398	51%	0.513	S	S	.	.	H	α-helix	trans	-54.1	-39.7	-174.1	-131.4	157.6	0	0	0	111.7	A30 Q38	A30-L34 WeakPolarHBondContact O-CA 3.32Å; A30-L34 WeakPolarHBondContact O-CB 3.32Å; A30-L34 PolarHBondContact O-N 2.69Å; L34-Q38 HydrophobicContact CD2-CG 4.19Å; L34-Q38 VanDerWaalsContact O-CB 3.23Å; L34-Q38 WeakPolarHBondContact O-CB 3.06Å; L34-Q38 WeakPolarHBondContact O-CG 3.24Å; L34-Q38 PolarHBondContact O-N 3.28Å
35	R	74.8	Confident	80	Confident	207 Å²	207	98.5 Å²	98.5	78%	0.781	51%	0.512	S	S	*	.	H	α-helix	trans	-65.8	-37.1	174.8	-64.7	-176	-178.3	-177.8	1	113	H33 N39	H33-R35 PolarHBondContact O-N 2.94Å; H33-R35 VanDerWaalsContact O-N 3.11Å; R35-N39 WeakPolarHBondContact O-CB 3.49Å; R35-N39 PolarHBondContact O-N 2.94Å; R35-N39 PolarHBondContact O-ND2 3.24Å; R35-N39 PolarHBondContact O-OD1 2.82Å
36	L	78.4	Confident	80.8	Confident	89 Å²	89	95.3 Å²	95.3	47%	0.466	51%	0.506	S	S	.	.	H	α-helix	trans	-74.9	-41.5	-179.7	-166.3	138.1	0	0	0	111	H33 N39 I40	H33-L36 HydrophobicContact CB-CB 4.23Å; H33-L36 CarbonylContact O-C 3.58Å; H33-L36 WeakPolarHBondContact O-CA 3.35Å; H33-L36 WeakPolarHBondContact O-CB 3.26Å; H33-L36 PolarHBondContact O-N 3.38Å; L36-N39 PolarHBondContact O-N 2.8Å; L36-I40 HydrophobicContact CD2-CD1 3.57Å; L36-I40 HydrophobicContact CG-CD1 4.41Å; L36-I40 VanDerWaalsContact O-CG1 3.3Å; L36-I40 WeakPolarHBondContact O-CG1 3.44Å; L36-I40 PolarHBondContact O-N 3.41Å
37	V	81.4	Confident	81.6	Confident	65 Å²	65	94.9 Å²	94.9	39%	0.394	50%	0.504	S	S	.	.	H	α-helix	trans	-63.2	-43.6	172.6	176.7	0	0	0	0	110.8	W29 H33 I40 S41	W29-V37 HydrophobicContact CH2-CG2 4.39Å; W29-V37 HydrophobicContact CZ3-CG2 4.12Å; H33-V37 PolarHBondContact O-N 3.46Å; V37-I40 PolarHBondContact O-N 3.3Å; V37-S41 WeakPolarHBondContact O-CB 3.1Å; V37-S41 PolarHBondContact O-N 3.26Å
38	Q	79.2	Confident	82.1	Confident	106 Å²	106	93.6 Å²	93.6	50%	0.495	50%	0.499	S	S	.	.	H	α-helix	trans	-60.1	-48.5	173.8	-78.1	173.5	-2	0	0	111.2	L34 I40 S41 T42	L34-Q38 HydrophobicContact CD2-CG 4.19Å; L34-Q38 VanDerWaalsContact O-CB 3.23Å; L34-Q38 WeakPolarHBondContact O-CB 3.06Å; L34-Q38 WeakPolarHBondContact O-CG 3.24Å; L34-Q38 PolarHBondContact O-N 3.28Å; Q38-I40 PolarHBondContact O-N 3.41Å; Q38-S41 PolarHBondContact O-N 3.46Å; Q38-T42 WeakPolarHBondContact O-CB 3.41Å; Q38-T42 PolarHBondContact O-N 3.44Å; Q38-T42 PolarHBondContact O-OG1 3.31Å
39	N	85.7	Confident	82.5	Confident	114 Å²	114	92.1 Å²	92.1	61%	0.61	50%	0.495	S	S	*	.	H	α-helix	trans	-63.6	-39.6	-179.7	-70.2	-12.7	0	0	0	113	R35 L36 G43	R35-N39 WeakPolarHBondContact O-CB 3.49Å; R35-N39 PolarHBondContact O-N 2.94Å; R35-N39 PolarHBondContact O-ND2 3.24Å; R35-N39 PolarHBondContact O-OD1 2.82Å; L36-N39 PolarHBondContact O-N 2.8Å; N39-G43 PolarHBondContact O-N 2.65Å
40	I	86.9	Confident	82.7	Confident	105 Å²	105	92 Å²	92	54%	0.538	50%	0.502	S	S	.	.	H	α-helix	trans	-67	-45.2	175.3	-68.8	170.9	0	0	0	110.6	L36 V37 Q38 G43 M44	L36-I40 HydrophobicContact CD2-CD1 3.57Å; L36-I40 HydrophobicContact CG-CD1 4.41Å; L36-I40 VanDerWaalsContact O-CG1 3.3Å; L36-I40 WeakPolarHBondContact O-CG1 3.44Å; L36-I40 PolarHBondContact O-N 3.41Å; V37-I40 PolarHBondContact O-N 3.3Å; Q38-I40 PolarHBondContact O-N 3.41Å; I40-G43 PolarHBondContact O-N 2.92Å; I40-M44 WeakPolarHBondContact O-CB 3.22Å; I40-M44 WeakPolarHBondContact O-CG 3.44Å; I40-M44 PolarHBondContact O-N 3.26Å
41	S	86.1	Confident	83.1	Confident	75 Å²	75	95.9 Å²	95.9	52%	0.524	52%	0.517	S	S	.	.	H	α-helix	trans	-60.4	-45.5	176.9	-178	0	0	0	0	111.4	V37 Q38 M44 A45	V37-S41 WeakPolarHBondContact O-CB 3.1Å; V37-S41 PolarHBondContact O-N 3.26Å; Q38-S41 PolarHBondContact O-N 3.46Å; S41-M44 PolarHBondContact O-N 3.42Å; S41-A45 WeakPolarHBondContact O-CB 3.21Å; S41-A45 PolarHBondContact O-N 3.09Å
42	T	89.3	Confident	83	Confident	78 Å²	78	96.6 Å²	96.6	48%	0.479	52%	0.52	S	S	.	.	H	α-helix	trans	-63.2	-42.6	174.8	-58.9	0	0	0	0	111.5	Q38 A45 I46	Q38-T42 WeakPolarHBondContact O-CB 3.41Å; Q38-T42 PolarHBondContact O-N 3.44Å; Q38-T42 PolarHBondContact O-OG1 3.31Å; T42-A45 PolarHBondContact O-N 2.82Å; T42-I46 HydrophobicContact CG2-CD1 3.94Å; T42-I46 HydrophobicContact CG2-CG1 4.49Å; T42-I46 VanDerWaalsContact O-CG1 3.26Å; T42-I46 WeakPolarHBondContact O-CG1 3.1Å; T42-I46 PolarHBondContact O-N 3.13Å
43	G	90.8	Very high	82.6	Confident	34 Å²	34	95.1 Å²	95.1	35%	0.351	51%	0.512	S	S	.	.	H	α-helix	trans	-59.4	-47.3	174.8	0	0	0	0	0	112.3	N39 I40 A45 I46 V47	N39-G43 PolarHBondContact O-N 2.65Å; I40-G43 PolarHBondContact O-N 2.92Å; G43-A45 VanDerWaalsContact C-N 3.35Å; G43-A45 PolarHBondContact O-N 3.35Å; G43-I46 PolarHBondContact O-N 3.19Å; G43-V47 WeakPolarHBondContact O-CG2 3.48Å; G43-V47 PolarHBondContact O-N 3.11Å
44	M	92.9	Very high	82.3	Confident	136 Å²	136	101.3 Å²	101.3	67%	0.67	53%	0.532	S	S	*	.	H	α-helix	trans	-63	-39.4	175.5	-74.3	-65.9	-69.4	0	0	112.3	I40 S41 V47 G48	I40-M44 WeakPolarHBondContact O-CB 3.22Å; I40-M44 WeakPolarHBondContact O-CG 3.44Å; I40-M44 PolarHBondContact O-N 3.26Å; S41-M44 PolarHBondContact O-N 3.42Å; M44-V47 PolarHBondContact O-N 3.24Å; M44-G48 PolarHBondContact O-N 3.22Å
45	A	91.1	Very high	81.6	Confident	51 Å²	51	100.2 Å²	100.2	42%	0.421	53%	0.53	S	S	.	.	H	α-helix	trans	-63.6	-43.4	175.5	0	0	0	0	0	111.7	S41 T42 G43 G48 I49	S41-A45 WeakPolarHBondContact O-CB 3.21Å; S41-A45 PolarHBondContact O-N 3.09Å; T42-A45 PolarHBondContact O-N 2.82Å; G43-A45 VanDerWaalsContact C-N 3.35Å; G43-A45 PolarHBondContact O-N 3.35Å; A45-G48 PolarHBondContact O-N 3.3Å; A45-I49 VanDerWaalsContact O-CG1 3.27Å; A45-I49 WeakPolarHBondContact O-CG1 3.49Å; A45-I49 PolarHBondContact O-N 3.25Å
46	I	89.8	Confident	80.8	Confident	106 Å²	106	91.7 Å²	91.7	54%	0.544	50%	0.501	S	S	.	.	H	α-helix	trans	-63.1	-44.3	176.3	-67.9	165.1	0	0	0	110.7	T42 G43 G48 I49 M50	T42-I46 HydrophobicContact CG2-CD1 3.94Å; T42-I46 HydrophobicContact CG2-CG1 4.49Å; T42-I46 VanDerWaalsContact O-CG1 3.26Å; T42-I46 WeakPolarHBondContact O-CG1 3.1Å; T42-I46 PolarHBondContact O-N 3.13Å; G43-I46 PolarHBondContact O-N 3.19Å; I46-G48 VanDerWaalsContact C-N 3.34Å; I46-G48 PolarHBondContact O-N 3.45Å; I46-I49 PolarHBondContact O-N 3.18Å; I46-M50 WeakPolarHBondContact O-CB 3.45Å; I46-M50 PolarHBondContact O-N 2.74Å
47	V	91.5	Very high	79.7	Confident	80 Å²	80	97 Å²	97	49%	0.485	52%	0.515	S	S	.	.	H	α-helix	trans	-61.1	-44	175.4	172.1	0	0	0	0	110.9	G43 M44 I49 M50 L51	G43-V47 WeakPolarHBondContact O-CG2 3.48Å; G43-V47 PolarHBondContact O-N 3.11Å; M44-V47 PolarHBondContact O-N 3.24Å; V47-I49 PolarHBondContact O-N 2.77Å; V47-M50 PolarHBondContact O-N 3.25Å; V47-L51 HydrophobicContact CG1-CD1 4.25Å; V47-L51 WeakPolarHBondContact O-CG 3.49Å; V47-L51 PolarHBondContact O-N 2.8Å
48	G	85.8	Confident	78.4	Confident	31 Å²	31	98.1 Å²	98.1	32%	0.32	52%	0.518	S	S	.	.	H	α-helix	trans	-58.5	-47.3	174.9	0	0	0	0	0	112.4	M44 A45 I46 M50 L51 L52	M44-G48 PolarHBondContact O-N 3.22Å; A45-G48 PolarHBondContact O-N 3.3Å; I46-G48 VanDerWaalsContact C-N 3.34Å; I46-G48 PolarHBondContact O-N 3.45Å; G48-M50 VanDerWaalsContact C-N 3.34Å; G48-M50 PolarHBondContact O-N 3.16Å; G48-L51 PolarHBondContact O-N 3.19Å; G48-L52 WeakPolarHBondContact O-CG 3.39Å; G48-L52 PolarHBondContact O-N 3.31Å
49	I	83.1	Confident	77.5	Confident	97 Å²	97	94.8 Å²	94.8	50%	0.497	51%	0.505	S	S	.	.	H	α-helix	trans	-61.8	-41.9	175.6	-68.9	165	0	0	0	110.7	A45 I46 V47 L51 L52 I53	A45-I49 VanDerWaalsContact O-CG1 3.27Å; A45-I49 WeakPolarHBondContact O-CG1 3.49Å; A45-I49 PolarHBondContact O-N 3.25Å; I46-I49 PolarHBondContact O-N 3.18Å; V47-I49 PolarHBondContact O-N 2.77Å; I49-L51 PolarHBondContact O-N 3.4Å; I49-L52 CarbonylContact O-C 3.6Å; I49-L52 WeakPolarHBondContact O-CB 3.37Å; I49-L52 PolarHBondContact O-N 3.04Å; I49-I53 HydrophobicContact CG2-CD1 3.71Å; I49-I53 HydrophobicContact CG2-CG1 4.27Å; I49-I53 VanDerWaalsContact O-CG1 3.29Å; I49-I53 WeakPolarHBondContact O-CG1 3.34Å; I49-I53 PolarHBondContact O-N 2.93Å
50	M	79.9	Confident	76.7	Confident	139 Å²	139	91.8 Å²	91.8	69%	0.685	49%	0.493	S	S	*	.	H	α-helix	trans	-64.1	-39.9	178.6	-169.3	-175.9	-174.6	0	0	112.1	I46 V47 G48 I53 R54	I46-M50 WeakPolarHBondContact O-CB 3.45Å; I46-M50 PolarHBondContact O-N 2.74Å; V47-M50 PolarHBondContact O-N 3.25Å; G48-M50 VanDerWaalsContact C-N 3.34Å; G48-M50 PolarHBondContact O-N 3.16Å; M50-I53 PolarHBondContact O-N 3.36Å; M50-R54 PolarHBondContact O-N 3.1Å
51	L	80.2	Confident	76.3	Confident	115 Å²	115	87.9 Å²	87.9	60%	0.602	47%	0.472	S	S	*	.	H	α-helix	trans	-65	-41.1	173.9	-71.3	173.4	0	0	0	111.6	V47 G48 I49 R54 S55	V47-L51 HydrophobicContact CG1-CD1 4.25Å; V47-L51 WeakPolarHBondContact O-CG 3.49Å; V47-L51 PolarHBondContact O-N 2.8Å; G48-L51 PolarHBondContact O-N 3.19Å; I49-L51 PolarHBondContact O-N 3.4Å; L51-R54 PolarHBondContact O-N 3.12Å; L51-S55 PolarHBondContact O-N 2.9Å
52	L	71.3	Confident	76.1	Confident	115 Å²	115	84.5 Å²	84.5	60%	0.602	45%	0.449	S	S	*	.	H	α-helix	trans	-63.3	-44	173.7	-69.3	173.2	0	0	0	111.2	G48 I49 R54 S55 V56	G48-L52 WeakPolarHBondContact O-CG 3.39Å; G48-L52 PolarHBondContact O-N 3.31Å; I49-L52 CarbonylContact O-C 3.6Å; I49-L52 WeakPolarHBondContact O-CB 3.37Å; I49-L52 PolarHBondContact O-N 3.04Å; L52-R54 VanDerWaalsContact C-N 3.35Å; L52-R54 PolarHBondContact O-N 2.87Å; L52-S55 CarbonylContact O-C 3.54Å; L52-S55 WeakPolarHBondContact O-CA 3.46Å; L52-S55 VanDerWaalsContact O-CB 3.31Å; L52-S55 WeakPolarHBondContact O-CB 3.06Å; L52-S55 PolarHBondContact O-N 3.41Å; L52-S55 PolarHBondContact O-OG 3.4Å; L52-V56 WeakPolarHBondContact O-CG2 3.44Å; L52-V56 PolarHBondContact O-N 3.08Å; L52-V56 VanDerWaalsContact O-N 3.15Å
53	I	68.1	Low	75.7	Confident	105 Å²	105	82.5 Å²	82.5	54%	0.538	44%	0.436	S	S	.	.	H	α-helix	trans	-62.1	-39.9	175.2	-68	167.5	0	0	0	111.1	I49 M50 S55 V56	I49-I53 HydrophobicContact CG2-CD1 3.71Å; I49-I53 HydrophobicContact CG2-CG1 4.27Å; I49-I53 VanDerWaalsContact O-CG1 3.29Å; I49-I53 WeakPolarHBondContact O-CG1 3.34Å; I49-I53 PolarHBondContact O-N 2.93Å; M50-I53 PolarHBondContact O-N 3.36Å; I53-S55 PolarHBondContact O-N 2.89Å; I53-V56 WeakPolarHBondContact O-CB 3.48Å; I53-V56 PolarHBondContact O-N 2.94Å
54	R	65.6	Low	75.3	Confident	203 Å²	203	84.2 Å²	84.2	77%	0.766	44%	0.44	S	S	*	.	H	α-helix	trans	-62.8	-31.9	174.1	-168.6	175.4	177.8	126.4	-2.9	111.8	M50 L51 L52 V56	M50-R54 PolarHBondContact O-N 3.1Å; L51-R54 PolarHBondContact O-N 3.12Å; L52-R54 VanDerWaalsContact C-N 3.35Å; L52-R54 PolarHBondContact O-N 2.87Å; R54-V56 VanDerWaalsContact C-N 3.29Å; R54-V56 PolarHBondContact O-N 3.45Å
55	S	61.4	Low	74.8	Confident	53 Å²	53	78 Å²	78	37%	0.371	41%	0.41	S	S	.	.	H	α-helix	trans	-71.5	-17.6	171.9	89	0	0	0	0	113.7	L51 L52 I53 R57 L58	L51-S55 PolarHBondContact O-N 2.9Å; L52-S55 CarbonylContact O-C 3.54Å; L52-S55 WeakPolarHBondContact O-CA 3.46Å; L52-S55 VanDerWaalsContact O-CB 3.31Å; L52-S55 WeakPolarHBondContact O-CB 3.06Å; L52-S55 PolarHBondContact O-N 3.41Å; L52-S55 PolarHBondContact O-OG 3.4Å; I53-S55 PolarHBondContact O-N 2.89Å; S55-R57 PolarHBondContact O-N 2.89Å; S55-L58 WeakPolarHBondContact O-CB 3.48Å; S55-L58 WeakPolarHBondContact O-CD1 3.4Å; S55-L58 VanDerWaalsContact O-CG 3.3Å; S55-L58 WeakPolarHBondContact O-CG 3.33Å; S55-L58 PolarHBondContact O-N 3.3Å
56	V	58.4	Low	74.3	Confident	28 Å²	28	78.8 Å²	78.8	17%	0.17	42%	0.417	C	S	.	.	G	3₁₀ helix	trans	-63.8	-11.5	177.2	174.5	0	0	0	0	112.6	L52 I53 R54 L58 T59 S60	L52-V56 WeakPolarHBondContact O-CG2 3.44Å; L52-V56 PolarHBondContact O-N 3.08Å; L52-V56 VanDerWaalsContact O-N 3.15Å; I53-V56 WeakPolarHBondContact O-CB 3.48Å; I53-V56 PolarHBondContact O-N 2.94Å; R54-V56 VanDerWaalsContact C-N 3.29Å; R54-V56 PolarHBondContact O-N 3.45Å; V56-L58 PolarHBondContact O-N 3.34Å; V56-L58 VanDerWaalsContact O-N 3.09Å; V56-T59 WeakPolarHBondContact CA-OG1 3.35Å; V56-T59 WeakPolarHBondContact CG1-OG1 3.33Å; V56-T59 CarbonylContact O-C 3.51Å; V56-T59 WeakPolarHBondContact O-CA 3.32Å; V56-T59 PolarHBondContact O-N 3.49Å; V56-T59 PolarHBondContact O-OG1 3.06Å; V56-S60 PolarHBondContact O-N 3.4Å
57	R	55.3	Low	74	Confident	200 Å²	200	77.2 Å²	77.2	76%	0.755	41%	0.409	S	S	*	.	G	3₁₀ helix	trans	-59.3	-14.2	161.3	-77.8	-175.2	162.9	164.7	-3.1	113.3	S55 S60	S55-R57 PolarHBondContact O-N 2.89Å; R57-S60 PolarHBondContact O-OG 3.48Å; R57-S60 VanDerWaalsContact O-OG 3.08Å
58	L	53.9	Low	73.6	Confident	89 Å²	89	73.8 Å²	73.8	47%	0.466	39%	0.388	S	S	.	.	G	3₁₀ helix	trans	-80.9	-16.3	168.4	-66.8	157.4	0	0	0	113.2	S55 V56 F72	S55-L58 WeakPolarHBondContact O-CB 3.48Å; S55-L58 WeakPolarHBondContact O-CD1 3.4Å; S55-L58 VanDerWaalsContact O-CG 3.3Å; S55-L58 WeakPolarHBondContact O-CG 3.33Å; S55-L58 PolarHBondContact O-N 3.3Å; V56-L58 PolarHBondContact O-N 3.34Å; V56-L58 VanDerWaalsContact O-N 3.09Å; L58-F72 HydrophobicContact CD2-CE1 3.74Å; L58-F72 HydrophobicContact CD2-CE2 3.85Å; L58-F72 HydrophobicContact CD2-CZ 3.14Å; L58-F72 HydrophobicContact CG-CZ 4.14Å
59	T	60.3	Low	73.5	Confident	36 Å²	36	74.4 Å²	74.4	22%	0.221	39%	0.387	C	S	.	.	T	Hydrogen-bonded Turn	trans	-112	5.4	-177.5	70	0	0	0	0	112.3	V56 P97 I98	V56-T59 WeakPolarHBondContact CA-OG1 3.35Å; V56-T59 WeakPolarHBondContact CG1-OG1 3.33Å; V56-T59 CarbonylContact O-C 3.51Å; V56-T59 WeakPolarHBondContact O-CA 3.32Å; V56-T59 PolarHBondContact O-N 3.49Å; V56-T59 PolarHBondContact O-OG1 3.06Å; T59-P97 WeakPolarHBondContact O-CB 3.39Å; T59-I98 VanDerWaalsContact CB-O 3.31Å; T59-I98 WeakPolarHBondContact CB-O 3.43Å; T59-I98 WeakPolarHBondContact CG2-O 3.26Å
60	S	69.9	Low	73.5	Confident	51 Å²	51	74.9 Å²	74.9	36%	0.357	39%	0.394	S	S	.	.	S	Bend	trans	-75.4	141.9	165.5	53.2	0	0	0	0	110.9	V56 R57 F62	V56-S60 PolarHBondContact O-N 3.4Å; R57-S60 PolarHBondContact O-OG 3.48Å; R57-S60 VanDerWaalsContact O-OG 3.08Å; S60-F62 PolarHBondContact O-N 3.01Å
61	K	77.4	Confident	73.7	Confident	23 Å²	23	73 Å²	73	10%	0.1	38%	0.383	C	S	.	.			trans	-72	121.5	174.1	-171.1	168.1	-175.4	177.7	0	109.7	T63 E94 H95 P97 E109 P110	K61-T63 PolarHBondContact O-N 3.08Å; K61-E94 WeakPolarHBondContact CE-OE1 2.87Å; K61-E94 IonicContact NZ-OE1 2.68Å; K61-E94 PolarHBondContact NZ-OE1 3.2Å; K61-H95 WeakPolarHBondContact CE-O 3.49Å; K61-H95 WeakPolarHBondContact CG-O 3.4Å; K61-P97 HydrophobicContact CB-CG 4.42Å; K61-E109 IonicContact NZ-OE2 2.86Å; K61-E109 PolarHBondContact NZ-OE2 3.48Å; K61-P110 HydrophobicContact CB-CG 4.43Å; K61-P110 WeakPolarHBondContact CD-O 3.11Å; K61-P110 WeakPolarHBondContact CE-O 3.44Å; K61-P110 PolarHBondContact NZ-O 3.03Å
62	F	81.8	Confident	73.9	Confident	5 Å²	5	68.7 Å²	68.7	2%	0.022	36%	0.36	C	S	.	.			trans	-78.2	115.5	171.4	-60.3	-61.9	0	0	0	109	S60 D67 I68 F72 L79 H95 L114	S60-F62 PolarHBondContact O-N 3.01Å; F62-D67 HydrophobicContact CD1-CB 4.01Å; F62-D67 WeakPolarHBondContact CD1-O 3.41Å; F62-D67 WeakPolarHBondContact CE1-O 3.23Å; F62-I68 HydrophobicContact CB-CD1 4.5Å; F62-I68 HydrophobicContact CB-CG1 3.98Å; F62-I68 HydrophobicContact CD1-CG1 3.92Å; F62-I68 HydrophobicContact CD2-CG1 4.26Å; F62-I68 HydrophobicContact CG-CG1 3.79Å; F62-F72 HydrophobicContact CE2-CD1 4.48Å; F62-F72 HydrophobicContact CE2-CE1 4Å; F62-F72 HydrophobicContact CZ-CD1 4.43Å; F62-F72 AromaticContact CZ-CE1 3.81Å; F62-F72 HydrophobicContact CZ-CE1 3.81Å; F62-F72 HydrophobicContact CZ-CZ 4.16Å; F62-L79 HydrophobicContact CD2-CD1 3.94Å; F62-L79 HydrophobicContact CE2-CD1 4.02Å; F62-L79 HydrophobicContact CE2-CD2 4.29Å; F62-H95 HydrophobicContact CB-CB 4.29Å; F62-H95 AromaticContact CD2-CE1 3.39Å; F62-H95 WeakPolarHBondContact CD2-CE1 3.38Å; F62-H95 AromaticContact CD2-CG 3.92Å; F62-H95 AromaticContact CD2-ND1 3.51Å; F62-H95 AromaticContact CD2-NE2 3.76Å; F62-H95 AromaticContact CE2-CE1 3.74Å; F62-H95 PolarHBondContact N-ND1 3.48Å; F62-L114 HydrophobicContact CB-CD1 4.13Å; F62-L114 HydrophobicContact CB-CD2 4.45Å
63	T	81.1	Confident	74.5	Confident	35 Å²	35	64.4 Å²	64.4	22%	0.215	34%	0.337	C	S	.	.			trans	-95.3	-35	-179.6	45.1	0	0	0	0	112.4	K61 D67 P110	K61-T63 PolarHBondContact O-N 3.08Å; T63-D67 PolarHBondContact N-OD2 3.21Å; T63-D67 PolarHBondContact OG1-OD2 3.15Å; T63-P110 HydrophobicContact CG2-CB 3.8Å; T63-P110 HydrophobicContact CG2-CG 3.78Å
64	T	82.3	Confident	75.2	Confident	70 Å²	70	68.2 Å²	68.2	43%	0.429	35%	0.345	S	S	.	.	S	Bend	trans	-125.1	151.9	-179.6	-52.7	0	0	0	0	109.1	A66 D67 L114	T64-A66 HydrophobicContact CG2-CB 4.06Å; T64-A66 PolarHBondContact O-N 2.94Å; T64-D67 PolarHBondContact N-OD2 3.4Å; T64-D67 WeakPolarHBondContact O-CB 3.29Å; T64-D67 PolarHBondContact O-N 3.07Å; T64-L114 VanDerWaalsContact C-CD2 3.43Å
65	S	82.1	Confident	76.1	Confident	5 Å²	5	65.9 Å²	65.9	4%	0.035	34%	0.34	C	S	.	.	G	3₁₀ helix	trans	-63.6	-19.4	175.1	59.7	0	0	0	0	113.2	D67 K148 S151	S65-D67 VanDerWaalsContact C-N 3.33Å; S65-K148 WeakPolarHBondContact O-CD 3.46Å; S65-K148 VanDerWaalsContact O-CE 3.25Å; S65-K148 WeakPolarHBondContact O-CE 3.48Å; S65-K148 PolarHBondContact O-NZ 3.04Å; S65-S151 VanDerWaalsContact CB-O 3.3Å; S65-S151 WeakPolarHBondContact CB-O 3.46Å; S65-S151 VanDerWaalsContact OG-C 3.29Å; S65-S151 WeakPolarHBondContact OG-CA 3.4Å; S65-S151 PolarHBondContact OG-O 3.47Å
66	A	81.9	Confident	77.3	Confident	69 Å²	69	65.1 Å²	65.1	57%	0.57	33%	0.33	S	S	*	.	G	3₁₀ helix	trans	-66.1	-31.9	170.7	0	0	0	0	0	113.2	T64 I68 K148	T64-A66 HydrophobicContact CG2-CB 4.06Å; T64-A66 PolarHBondContact O-N 2.94Å; A66-I68 PolarHBondContact O-N 2.96Å; A66-K148 VanDerWaalsContact CA-NZ 3.25Å
67	D	82.1	Confident	78.6	Confident	73 Å²	73	65.9 Å²	65.9	39%	0.39	34%	0.335	S	S	.	.	G	3₁₀ helix	trans	-72.1	-15.6	-177.8	-51.9	-25.3	0	0	0	112	F62 T63 T64 S65 P69	F62-D67 HydrophobicContact CD1-CB 4.01Å; F62-D67 WeakPolarHBondContact CD1-O 3.41Å; F62-D67 WeakPolarHBondContact CE1-O 3.23Å; T63-D67 PolarHBondContact N-OD2 3.21Å; T63-D67 PolarHBondContact OG1-OD2 3.15Å; T64-D67 PolarHBondContact N-OD2 3.4Å; T64-D67 WeakPolarHBondContact O-CB 3.29Å; T64-D67 PolarHBondContact O-N 3.07Å; S65-D67 VanDerWaalsContact C-N 3.33Å; D67-P69 WeakPolarHBondContact O-CD 3.29Å
68	I	84.3	Confident	80.2	Confident	7 Å²	7	61.6 Å²	61.6	4%	0.036	32%	0.322	C	S	.	.	S	Bend	trans	-81.1	119	-176.7	-63.2	174.4	0	0	0	109.7	F62 A66 F72 I73 L114 L145 L153	F62-I68 HydrophobicContact CB-CD1 4.5Å; F62-I68 HydrophobicContact CB-CG1 3.98Å; F62-I68 HydrophobicContact CD1-CG1 3.92Å; F62-I68 HydrophobicContact CD2-CG1 4.26Å; F62-I68 HydrophobicContact CG-CG1 3.79Å; A66-I68 PolarHBondContact O-N 2.96Å; I68-F72 HydrophobicContact CG2-CB 4.28Å; I68-I73 HydrophobicContact CG2-CG1 4.42Å; I68-L114 HydrophobicContact CD1-CD1 4.16Å; I68-L114 HydrophobicContact CD1-CD2 4.39Å; I68-L145 HydrophobicContact CD1-CD2 4.39Å; I68-L145 HydrophobicContact CG2-CD1 3.73Å; I68-L153 HydrophobicContact CD1-CD1 3.32Å; I68-L153 HydrophobicContact CD1-CD2 3.88Å; I68-L153 HydrophobicContact CD1-CG 4.22Å
69	P	83.8	Confident	82	Confident	45 Å²	45	58 Å²	58	29%	0.292	30%	0.303	S	S	.	.			trans	-63.7	142.4	178.4	-20.6	32.9	0	0	0	112.1	D67 E71 F72	D67-P69 WeakPolarHBondContact O-CD 3.29Å; P69-E71 VanDerWaalsContact CB-OE2 3.32Å; P69-E71 WeakPolarHBondContact CB-OE2 2.93Å; P69-E71 PolarHBondContact O-N 3.09Å; P69-F72 HydrophobicContact CB-CD2 3.92Å; P69-F72 HydrophobicContact CB-CE2 4.24Å; P69-F72 HydrophobicContact CG-CD2 3.99Å; P69-F72 HydrophobicContact CG-CE2 3.9Å; P69-F72 HydrophobicContact CG-CZ 4.49Å; P69-F72 WeakPolarHBondContact O-CB 3.41Å; P69-F72 PolarHBondContact O-N 2.55Å
70	V	83	Confident	83.4	Confident	107 Å²	107	61 Å²	61	65%	0.648	31%	0.31	S	S	*	.	H	α-helix	trans	-61.7	-28.7	-179.9	-178.7	0	0	0	0	111.2	F72 I73 R74	V70-F72 PolarHBondContact O-N 3.46Å; V70-I73 PolarHBondContact O-N 3.26Å; V70-R74 PolarHBondContact O-N 3Å
71	E	83.9	Confident	84.3	Confident	98 Å²	98	58.6 Å²	58.6	46%	0.458	29%	0.293	S	S	.	.	H	α-helix	trans	-60.6	-32.5	175.9	-64	70.1	-151	0	0	112.2	P69 R74 K75	P69-E71 VanDerWaalsContact CB-OE2 3.32Å; P69-E71 WeakPolarHBondContact CB-OE2 2.93Å; P69-E71 PolarHBondContact O-N 3.09Å; E71-R74 PolarHBondContact O-N 3.32Å; E71-K75 VanDerWaalsContact O-CB 3.27Å; E71-K75 WeakPolarHBondContact O-CB 3.13Å; E71-K75 VanDerWaalsContact O-CG 3.32Å; E71-K75 WeakPolarHBondContact O-CG 3.43Å; E71-K75 PolarHBondContact O-N 3.23Å
72	F	84.6	Confident	85	Confident	25 Å²	25	62 Å²	62	11%	0.11	31%	0.305	C	S	.	.	H	α-helix	trans	-70.7	-38.2	179.8	-79.9	-136	0	0	0	110.9	L58 F62 I68 P69 V70 K76 V77 L79 L145	L58-F72 HydrophobicContact CD2-CE1 3.74Å; L58-F72 HydrophobicContact CD2-CE2 3.85Å; L58-F72 HydrophobicContact CD2-CZ 3.14Å; L58-F72 HydrophobicContact CG-CZ 4.14Å; F62-F72 HydrophobicContact CE2-CD1 4.48Å; F62-F72 HydrophobicContact CE2-CE1 4Å; F62-F72 HydrophobicContact CZ-CD1 4.43Å; F62-F72 AromaticContact CZ-CE1 3.81Å; F62-F72 HydrophobicContact CZ-CE1 3.81Å; F62-F72 HydrophobicContact CZ-CZ 4.16Å; I68-F72 HydrophobicContact CG2-CB 4.28Å; P69-F72 HydrophobicContact CB-CD2 3.92Å; P69-F72 HydrophobicContact CB-CE2 4.24Å; P69-F72 HydrophobicContact CG-CD2 3.99Å; P69-F72 HydrophobicContact CG-CE2 3.9Å; P69-F72 HydrophobicContact CG-CZ 4.49Å; P69-F72 WeakPolarHBondContact O-CB 3.41Å; P69-F72 PolarHBondContact O-N 2.55Å; V70-F72 PolarHBondContact O-N 3.46Å; F72-K76 PolarHBondContact O-N 2.82Å; F72-V77 HydrophobicContact CB-CB 4.35Å; F72-V77 HydrophobicContact CB-CG2 4.25Å; F72-V77 HydrophobicContact CD1-CB 4.18Å; F72-V77 HydrophobicContact CD1-CG1 4.13Å; F72-V77 HydrophobicContact CD1-CG2 4.32Å; F72-V77 HydrophobicContact CG-CB 4.45Å; F72-V77 HydrophobicContact CG-CG2 4.23Å; F72-V77 PolarHBondContact O-N 2.95Å; F72-L79 HydrophobicContact CD1-CD2 4.22Å; F72-L79 HydrophobicContact CE1-CD2 4.26Å; F72-L145 HydrophobicContact CB-CD1 3.83Å
73	I	84.3	Confident	85.4	Confident	26 Å²	26	61.9 Å²	61.9	13%	0.133	31%	0.305	C	S	.	.	H	α-helix	trans	-66.3	-47.4	173.8	-58.1	175.7	0	0	0	109.2	I68 V70 K75 K76 L145 L146 K148	I68-I73 HydrophobicContact CG2-CG1 4.42Å; V70-I73 PolarHBondContact O-N 3.26Å; I73-K75 VanDerWaalsContact C-N 3.33Å; I73-K75 PolarHBondContact O-N 3.09Å; I73-K76 PolarHBondContact O-N 3Å; I73-K76 VanDerWaalsContact O-N 3.09Å; I73-L145 HydrophobicContact CG1-CB 4.48Å; I73-L146 WeakPolarHBondContact CG2-O 3.36Å; I73-K148 HydrophobicContact CD1-CB 3.74Å
74	R	82.6	Confident	85.8	Confident	184 Å²	184	65.5 Å²	65.5	69%	0.694	32%	0.319	S	S	*	.	H	α-helix	trans	-59.4	-42.1	178.3	-171.3	174.7	66.8	174.8	-1.9	112.3	V70 E71 K76	V70-R74 PolarHBondContact O-N 3Å; E71-R74 PolarHBondContact O-N 3.32Å; R74-K76 VanDerWaalsContact C-N 3.32Å
75	K	83.6	Confident	86	Confident	155 Å²	155	68.9 Å²	68.9	67%	0.674	32%	0.324	S	S	*	.	H	α-helix	trans	-82	-6	178.5	-69.7	-177.3	178.9	-175.8	0	113.8	E71 I73 V77	E71-K75 VanDerWaalsContact O-CB 3.27Å; E71-K75 WeakPolarHBondContact O-CB 3.13Å; E71-K75 VanDerWaalsContact O-CG 3.32Å; E71-K75 WeakPolarHBondContact O-CG 3.43Å; E71-K75 PolarHBondContact O-N 3.23Å; I73-K75 VanDerWaalsContact C-N 3.33Å; I73-K75 PolarHBondContact O-N 3.09Å; K75-V77 VanDerWaalsContact C-N 3.34Å; K75-V77 HydrophobicContact CB-CG2 4Å; K75-V77 PolarHBondContact O-N 3.3Å
76	K	86.2	Confident	86.4	Confident	36 Å²	36	70.4 Å²	70.4	16%	0.157	33%	0.332	C	S	.	.	T	Hydrogen-bonded Turn	trans	53.9	48.3	-178.7	-53.8	179.4	-180	-177.9	0	113	F72 I73 R74 Q144 L145 L146 S193 I197	F72-K76 PolarHBondContact O-N 2.82Å; I73-K76 PolarHBondContact O-N 3Å; I73-K76 VanDerWaalsContact O-N 3.09Å; R74-K76 VanDerWaalsContact C-N 3.32Å; K76-Q144 HydrophobicContact CB-CG 4.38Å; K76-Q144 WeakPolarHBondContact O-CG 3.44Å; K76-Q144 PolarHBondContact O-NE2 3.04Å; K76-L145 VanDerWaalsContact CA-O 3.31Å; K76-L145 WeakPolarHBondContact CA-O 3.29Å; K76-L146 HydrophobicContact CD-CD2 3.95Å; K76-L146 HydrophobicContact CG-CD2 4.18Å; K76-S193 VanDerWaalsContact NZ-CB 3.33Å; K76-I197 HydrophobicContact CD-CD1 4.34Å
77	V	86.3	Confident	86.6	Confident	44 Å²	44	68.9 Å²	68.9	27%	0.267	32%	0.315	S	S	.	.			trans	-64.7	143.2	-178.2	177.5	0	0	0	0	110.3	F72 K75 L79 L145	F72-V77 HydrophobicContact CB-CB 4.35Å; F72-V77 HydrophobicContact CB-CG2 4.25Å; F72-V77 HydrophobicContact CD1-CB 4.18Å; F72-V77 HydrophobicContact CD1-CG1 4.13Å; F72-V77 HydrophobicContact CD1-CG2 4.32Å; F72-V77 HydrophobicContact CG-CB 4.45Å; F72-V77 HydrophobicContact CG-CG2 4.23Å; F72-V77 PolarHBondContact O-N 2.95Å; K75-V77 VanDerWaalsContact C-N 3.34Å; K75-V77 HydrophobicContact CB-CG2 4Å; K75-V77 PolarHBondContact O-N 3.3Å; V77-L79 HydrophobicContact CG1-CD2 3.97Å; V77-L145 PolarHBondContact O-N 3.26Å
78	K	89.9	Confident	86.5	Confident	111 Å²	111	72.1 Å²	72.1	48%	0.483	33%	0.328	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-91.2	124.1	170.6	-64	178.8	-178.3	177	0	108.6	W142 Q144 L158	K78-W142 HydrophobicContact CB-CE3 4.24Å; K78-Q144 HydrophobicContact CG-CB 4.08Å; K78-Q144 HydrophobicContact CG-CG 4.08Å; K78-L158 HydrophobicContact CD-CD1 4.18Å; K78-L158 HydrophobicContact CG-CD1 4.45Å
79	L	89.8	Confident	86.1	Confident	12 Å²	12	75.6 Å²	75.6	6%	0.063	35%	0.352	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-109	150.3	175	-63.2	-177.3	0	0	0	109.6	F62 F72 V77 W142 F143 L145	F62-L79 HydrophobicContact CD2-CD1 3.94Å; F62-L79 HydrophobicContact CE2-CD1 4.02Å; F62-L79 HydrophobicContact CE2-CD2 4.29Å; F72-L79 HydrophobicContact CD1-CD2 4.22Å; F72-L79 HydrophobicContact CE1-CD2 4.26Å; V77-L79 HydrophobicContact CG1-CD2 3.97Å; L79-W142 CarbonylContact O-C 3.44Å; L79-W142 WeakPolarHBondContact O-CA 3.35Å; L79-F143 HydrophobicContact CB-CD1 4.32Å; L79-F143 HydrophobicContact CB-CD2 4.17Å; L79-F143 HydrophobicContact CB-CE1 3.82Å; L79-F143 HydrophobicContact CB-CE2 3.68Å; L79-F143 HydrophobicContact CB-CG 4.48Å; L79-F143 HydrophobicContact CB-CZ 3.48Å; L79-F143 VanDerWaalsContact CB-CZ 3.48Å; L79-F143 HydrophobicContact CD1-CE2 3.79Å; L79-F143 HydrophobicContact CD1-CZ 3.97Å; L79-F143 HydrophobicContact CG-CE2 4.27Å; L79-F143 HydrophobicContact CG-CZ 4.37Å; L79-F143 PolarHBondContact N-O 2.9Å; L79-F143 WeakPolarHBondContact O-CD1 3.43Å; L79-F143 PolarHBondContact O-N 2.92Å; L79-L145 HydrophobicContact CD1-CD1 3.66Å; L79-L145 HydrophobicContact CD1-CD2 4.38Å; L79-L145 HydrophobicContact CD1-CG 4.13Å; L79-L145 HydrophobicContact CG-CD1 4.2Å; L79-L145 HydrophobicContact CG-CG 4.48Å
80	R	90	Very high	86.2	Confident	100 Å²	100	74.1 Å²	74.1	38%	0.377	35%	0.345	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-92	139	174.7	-170.7	177.7	178.7	177.9	-2.6	108.6	H95 I96 L140 W142	R80-H95 PolarHBondContact O-CD2 2.91Å; R80-I96 HydrophobicContact CG-CB 4.39Å; R80-I96 PolarHBondContact O-N 2.93Å; R80-L140 VanDerWaalsContact NH2-CD1 3.26Å; R80-W142 HydrophobicContact CB-CD2 4.45Å; R80-W142 HydrophobicContact CB-CE3 4.05Å; R80-W142 HydrophobicContact CB-CH2 4.14Å; R80-W142 HydrophobicContact CB-CZ3 3.9Å
81	G	90.4	Very high	86.6	Confident	0 Å²	0	69.1 Å²	69.1	0%	0	31%	0.314	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-146.4	161.7	177	0	0	0	0	0	112.8	E94 L140 L141	G81-E94 CarbonylContact C-O 3.6Å; G81-E94 WeakPolarHBondContact CA-O 3.21Å; G81-L140 WeakPolarHBondContact O-CA 3.31Å; G81-L141 PolarHBondContact N-O 2.88Å; G81-L141 PolarHBondContact O-N 3.4Å; G81-L141 VanDerWaalsContact O-O 3.12Å
82	R	90.6	Very high	86.9	Confident	94 Å²	94	66 Å²	66	36%	0.355	30%	0.3	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-108.7	126.1	170.7	175.4	167.8	67.7	166	-1.4	108.5	H84 I93 E94 I96 L140	R82-H84 PolarHBondContact O-N 3.08Å; R82-I93 WeakPolarHBondContact O-CA 3.3Å; R82-E94 HydrophobicContact CB-CB 4.49Å; R82-E94 IonicContact CZ-OE2 3.2Å; R82-E94 PolarHBondContact N-O 2.78Å; R82-E94 IonicContact NE-OE2 2.95Å; R82-E94 PolarHBondContact NE-OE2 3.12Å; R82-E94 IonicContact NH2-OE1 3.64Å; R82-E94 IonicContact NH2-OE2 2.65Å; R82-E94 PolarHBondContact NH2-OE2 2.93Å; R82-E94 PolarHBondContact O-N 2.72Å; R82-I96 HydrophobicContact CB-CD1 3.77Å; R82-I96 HydrophobicContact CB-CG1 4.38Å; R82-L140 HydrophobicContact CB-CD2 4.46Å
83	L	90.6	Very high	87.2	Confident	4 Å²	4	64.8 Å²	64.8	2%	0.021	29%	0.294	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-66.4	122.5	174	-178.5	66.4	0	0	0	109.6	I86 L91 I93 L135 S138 Q139 L141	L83-I86 HydrophobicContact CD1-CG1 4.29Å; L83-I86 HydrophobicContact CD2-CD1 4.33Å; L83-I86 HydrophobicContact CD2-CG1 4.23Å; L83-L91 HydrophobicContact CD1-CB 4.07Å; L83-L91 HydrophobicContact CD1-CD2 3.88Å; L83-I93 HydrophobicContact CD1-CG1 4.12Å; L83-L135 HydrophobicContact CD2-CB 3.55Å; L83-L135 HydrophobicContact CD2-CD1 3.93Å; L83-L135 HydrophobicContact CD2-CG 4.29Å; L83-S138 WeakPolarHBondContact O-CA 3.47Å; L83-S138 PolarHBondContact O-N 2.89Å; L83-Q139 PolarHBondContact N-O 3.24Å; L83-L141 HydrophobicContact CB-CD2 4.15Å
84	H	88.6	Confident	87.5	Confident	111 Å²	111	64.6 Å²	64.6	51%	0.514	29%	0.293	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-90.7	-58.9	174.1	-169.1	62.4	0	0	0	110.2	R82 E92 V113	R82-H84 PolarHBondContact O-N 3.08Å; H84-E92 HydrophobicContact CB-CB 4.35Å; H84-E92 WeakPolarHBondContact CB-O 3.48Å; H84-E92 IonicContact CD2-OE2 3.49Å; H84-E92 PolarHBondContact N-O 3.42Å; H84-V113 HydrophobicContact CB-CG1 4.37Å
85	R	88.2	Confident	87.8	Confident	141 Å²	141	56 Å²	56	53%	0.532	26%	0.261	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-153.9	155.4	-175.7	-174.7	173.1	60.8	170.8	4.1	111.2	E92	R85-E92 HydrophobicContact CB-CB 4.48Å; R85-E92 WeakPolarHBondContact CB-OE2 2.93Å; R85-E92 IonicContact CZ-OE1 2.93Å; R85-E92 IonicContact CZ-OE2 3.17Å; R85-E92 PolarHBondContact N-O 3.35Å; R85-E92 IonicContact NE-OE1 3.58Å; R85-E92 IonicContact NE-OE2 3.23Å; R85-E92 PolarHBondContact NE-OE2 3.09Å; R85-E92 IonicContact NH2-OE1 3.58Å; R85-E92 PolarHBondContact NH2-OE1 3.38Å; R85-E92 IonicContact NH2-OE2 3.32Å; R85-E92 PolarHBondContact NH2-OE2 3.26Å; R85-E92 VanDerWaalsContact NH2-OE2 3.08Å; R85-E92 PolarHBondContact O-N 3.16Å
86	I	89.1	Confident	87.8	Confident	37 Å²	37	50.9 Å²	50.9	19%	0.19	24%	0.24	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-104.5	119.6	171.1	-57.1	172.7	0	0	0	107.1	L83 L91 L131 Q132 L135	L83-I86 HydrophobicContact CD1-CG1 4.29Å; L83-I86 HydrophobicContact CD2-CD1 4.33Å; L83-I86 HydrophobicContact CD2-CG1 4.23Å; I86-L91 HydrophobicContact CG1-CD2 4.37Å; I86-L131 HydrophobicContact CD1-CG 4.2Å; I86-L131 HydrophobicContact CG2-CD2 4.44Å; I86-Q132 HydrophobicContact CB-CG 4.31Å; I86-Q132 HydrophobicContact CD1-CB 4.38Å; I86-Q132 HydrophobicContact CD1-CG 3.87Å; I86-Q132 HydrophobicContact CG2-CG 4.3Å; I86-L135 HydrophobicContact CD1-CB 4.3Å; I86-L135 HydrophobicContact CD1-CD1 4.19Å
87	T	86.1	Confident	87.4	Confident	36 Å²	36	49.7 Å²	49.7	22%	0.221	24%	0.236	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-107.3	166.4	178.4	65.7	0	0	0	0	110.4	C89 G90 E92	T87-C89 PolarHBondContact O-N 3.14Å; T87-C89 PolarHBondContact OG1-N 2.95Å; T87-G90 CarbonylContact C-O 3.57Å; T87-G90 WeakPolarHBondContact CA-O 3.03Å; T87-G90 PolarHBondContact N-O 3.33Å; T87-G90 PolarHBondContact O-N 3.42Å; T87-G90 VanDerWaalsContact O-N 3.12Å; T87-G90 VanDerWaalsContact O-O 3.07Å; T87-G90 PolarHBondContact OG1-N 3.01Å; T87-G90 PolarHBondContact OG1-O 3.24Å; T87-E92 HydrophobicContact CG2-CG 3.92Å; T87-E92 WeakPolarHBondContact CG2-OE1 3.5Å
88	E	80.9	Confident	86.8	Confident	141 Å²	141	53.2 Å²	53.2	66%	0.659	25%	0.252	S	S	*	.	T	Hydrogen-bonded Turn	trans	-58.4	-32.4	172.4	-67.2	-54.7	139.6	0	0	112.7	K128	E88-K128 IonicContact OE2-NZ 3.32Å; E88-K128 PolarHBondContact OE2-NZ 3.05Å
89	C	76.4	Confident	85.4	Confident	81 Å²	81	52 Å²	52	55%	0.547	25%	0.254	S	S	.	.	T	Hydrogen-bonded Turn	trans	-81.3	-15.6	-179.6	-66.1	0	0	0	0	113.3	T87 L115 K117	T87-C89 PolarHBondContact O-N 3.14Å; T87-C89 PolarHBondContact OG1-N 2.95Å; C89-L115 HydrophobicContact CB-CD1 4.47Å; C89-L115 HydrophobicContact CB-CD2 4.43Å; C89-K117 WeakPolarHBondContact O-CE 3.49Å; C89-K117 WeakPolarHBondContact O-CG 3.32Å
90	G	86.1	Confident	84	Confident	13 Å²	13	55.7 Å²	55.7	13%	0.134	27%	0.273	C	S	.	.	E	Extended strand (participates in β ladder)	trans	146.2	-163.1	-175.3	0	0	0	0	0	113.5	T87	T87-G90 CarbonylContact C-O 3.57Å; T87-G90 WeakPolarHBondContact CA-O 3.03Å; T87-G90 PolarHBondContact N-O 3.33Å; T87-G90 PolarHBondContact O-N 3.42Å; T87-G90 VanDerWaalsContact O-N 3.12Å; T87-G90 VanDerWaalsContact O-O 3.07Å; T87-G90 PolarHBondContact OG1-N 3.01Å; T87-G90 PolarHBondContact OG1-O 3.24Å
91	L	90.3	Very high	82.4	Confident	3 Å²	3	55.6 Å²	55.6	2%	0.016	29%	0.286	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-98	126.5	-178.2	-57.8	93.3	0	0	0	110.7	L83 I86 I93 V116 L118 L131 L135 L157	L83-L91 HydrophobicContact CD1-CB 4.07Å; L83-L91 HydrophobicContact CD1-CD2 3.88Å; I86-L91 HydrophobicContact CG1-CD2 4.37Å; L91-I93 HydrophobicContact CB-CD1 4.14Å; L91-I93 HydrophobicContact CB-CG1 4.26Å; L91-V116 PolarHBondContact N-O 2.85Å; L91-V116 PolarHBondContact O-N 3.21Å; L91-L118 HydrophobicContact CD1-CD2 4.3Å; L91-L118 HydrophobicContact CD1-CG 4.33Å; L91-L131 HydrophobicContact CD1-CD2 4.38Å; L91-L131 HydrophobicContact CD2-CD2 4.33Å; L91-L135 HydrophobicContact CD2-CD1 3.51Å; L91-L157 HydrophobicContact CD1-CD1 3.9Å; L91-L157 HydrophobicContact CD2-CD1 3.61Å; L91-L157 HydrophobicContact CG-CD1 4.33Å
92	E	91.3	Very high	80.8	Confident	31 Å²	31	64.9 Å²	64.9	15%	0.145	33%	0.327	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-85	112.4	169.8	-69.3	174.3	170.8	0	0	108.5	H84 R85 T87 V113	H84-E92 HydrophobicContact CB-CB 4.35Å; H84-E92 WeakPolarHBondContact CB-O 3.48Å; H84-E92 IonicContact CD2-OE2 3.49Å; H84-E92 PolarHBondContact N-O 3.42Å; R85-E92 HydrophobicContact CB-CB 4.48Å; R85-E92 WeakPolarHBondContact CB-OE2 2.93Å; R85-E92 IonicContact CZ-OE1 2.93Å; R85-E92 IonicContact CZ-OE2 3.17Å; R85-E92 PolarHBondContact N-O 3.35Å; R85-E92 IonicContact NE-OE1 3.58Å; R85-E92 IonicContact NE-OE2 3.23Å; R85-E92 PolarHBondContact NE-OE2 3.09Å; R85-E92 IonicContact NH2-OE1 3.58Å; R85-E92 PolarHBondContact NH2-OE1 3.38Å; R85-E92 IonicContact NH2-OE2 3.32Å; R85-E92 PolarHBondContact NH2-OE2 3.26Å; R85-E92 VanDerWaalsContact NH2-OE2 3.08Å; R85-E92 PolarHBondContact O-N 3.16Å; T87-E92 HydrophobicContact CG2-CG 3.92Å; T87-E92 WeakPolarHBondContact CG2-OE1 3.5Å; E92-V113 HydrophobicContact CB-CB 4.41Å
93	I	90.9	Very high	79.2	Confident	0 Å²	0	64.7 Å²	64.7	0%	0	33%	0.332	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-120.3	125.4	-177.2	-68.2	163.8	0	0	0	109.1	R82 L83 L91 L114 V116 L141 F143 L157	R82-I93 WeakPolarHBondContact O-CA 3.3Å; L83-I93 HydrophobicContact CD1-CG1 4.12Å; L91-I93 HydrophobicContact CB-CD1 4.14Å; L91-I93 HydrophobicContact CB-CG1 4.26Å; I93-L114 PolarHBondContact N-O 3.01Å; I93-L114 WeakPolarHBondContact O-CB 3.3Å; I93-L114 PolarHBondContact O-N 2.97Å; I93-V116 HydrophobicContact CB-CG2 4.26Å; I93-V116 HydrophobicContact CD1-CB 3.88Å; I93-V116 HydrophobicContact CD1-CG1 4.21Å; I93-V116 HydrophobicContact CD1-CG2 3.85Å; I93-V116 HydrophobicContact CG1-CG2 4.47Å; I93-L141 HydrophobicContact CD1-CD1 3.84Å; I93-L141 HydrophobicContact CD1-CD2 4.22Å; I93-L141 HydrophobicContact CG2-CD1 4.41Å; I93-F143 HydrophobicContact CG2-CD1 4.03Å; I93-F143 HydrophobicContact CG2-CE1 3.81Å; I93-L157 HydrophobicContact CD1-CD2 3.94Å
94	E	89.8	Confident	77.5	Confident	23 Å²	23	67.5 Å²	67.5	11%	0.107	35%	0.352	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-80.2	124.5	168.8	-178.3	-179.1	-166.1	0	0	109.2	K61 G81 R82	K61-E94 WeakPolarHBondContact CE-OE1 2.87Å; K61-E94 IonicContact NZ-OE1 2.68Å; K61-E94 PolarHBondContact NZ-OE1 3.2Å; G81-E94 CarbonylContact C-O 3.6Å; G81-E94 WeakPolarHBondContact CA-O 3.21Å; R82-E94 HydrophobicContact CB-CB 4.49Å; R82-E94 IonicContact CZ-OE2 3.2Å; R82-E94 PolarHBondContact N-O 2.78Å; R82-E94 IonicContact NE-OE2 2.95Å; R82-E94 PolarHBondContact NE-OE2 3.12Å; R82-E94 IonicContact NH2-OE1 3.64Å; R82-E94 IonicContact NH2-OE2 2.65Å; R82-E94 PolarHBondContact NH2-OE2 2.93Å; R82-E94 PolarHBondContact O-N 2.72Å
95	H	88.7	Confident	75.9	Confident	4 Å²	4	68.1 Å²	68.1	2%	0.019	37%	0.369	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-70.5	131.6	175.3	179.9	-115.5	0	0	0	110.7	K61 F62 R80 L114 F143	K61-H95 WeakPolarHBondContact CE-O 3.49Å; K61-H95 WeakPolarHBondContact CG-O 3.4Å; F62-H95 HydrophobicContact CB-CB 4.29Å; F62-H95 AromaticContact CD2-CE1 3.39Å; F62-H95 WeakPolarHBondContact CD2-CE1 3.38Å; F62-H95 AromaticContact CD2-CG 3.92Å; F62-H95 AromaticContact CD2-ND1 3.51Å; F62-H95 AromaticContact CD2-NE2 3.76Å; F62-H95 AromaticContact CE2-CE1 3.74Å; F62-H95 PolarHBondContact N-ND1 3.48Å; R80-H95 PolarHBondContact O-CD2 2.91Å; H95-L114 HydrophobicContact CB-CD1 3.97Å; H95-F143 AromaticContact CD2-CZ 3.97Å
96	I	84.1	Confident	74.3	Confident	46 Å²	46	73.2 Å²	73.2	24%	0.236	39%	0.388	C	S	.	.			trans	-105.2	110.5	171.6	-66.3	171	0	0	0	107.4	R80 R82 L140	R80-I96 HydrophobicContact CG-CB 4.39Å; R80-I96 PolarHBondContact O-N 2.93Å; R82-I96 HydrophobicContact CB-CD1 3.77Å; R82-I96 HydrophobicContact CB-CG1 4.38Å; I96-L140 HydrophobicContact CD1-CD2 3.24Å
97	P	77.8	Confident	72.9	Confident	12 Å²	12	78.6 Å²	78.6	8%	0.078	41%	0.41	C	S	.	.			trans	-63.4	154.4	176.7	26.8	-32.3	0	0	0	111	T59 K61 T99	T59-P97 WeakPolarHBondContact O-CB 3.39Å; K61-P97 HydrophobicContact CB-CG 4.42Å; P97-T99 HydrophobicContact CG-CG2 4.34Å; P97-T99 PolarHBondContact O-N 3.01Å
98	I	72.4	Confident	71.6	Confident	118 Å²	118	86.8 Å²	86.8	61%	0.605	44%	0.442	S	S	*	.			trans	-73.9	97.7	168.4	-59.4	172.4	0	0	0	106.5	T59	T59-I98 VanDerWaalsContact CB-O 3.31Å; T59-I98 WeakPolarHBondContact CB-O 3.43Å; T59-I98 WeakPolarHBondContact CG2-O 3.26Å
99	T	60.9	Low	70.7	Confident	84 Å²	84	85.3 Å²	85.3	52%	0.515	44%	0.436	S	S	.	.			trans	-75.3	128.2	-178.3	51.7	0	0	0	0	110.6	P97	P97-T99 HydrophobicContact CG-CG2 4.34Å; P97-T99 PolarHBondContact O-N 3.01Å
100	L	60.8	Low	70.2	Confident	90 Å²	90	84.8 Å²	84.8	47%	0.471	43%	0.431	S	S	.	.			trans	-79.4	136.1	163.3	-70.5	165.7	0	0	0	108.5	F102 I103	L100-F102 PolarHBondContact O-N 3.45Å; L100-I103 HydrophobicContact CB-CD1 4.47Å; L100-I103 HydrophobicContact CD1-CD1 4.3Å; L100-I103 PolarHBondContact O-N 2.87Å
101	P	55.7	Low	69.4	Low	98 Å²	98	95.9 Å²	95.9	64%	0.636	47%	0.469	S	S	*	.	T	Hydrogen-bonded Turn	trans	-60.9	-17.7	-169.3	21.1	-31.7	0	0	0	114.7
102	F	58.2	Low	68.9	Low	196 Å²	196	96.5 Å²	96.5	86%	0.86	48%	0.476	S	S	*	.	T	Hydrogen-bonded Turn	trans	-98	-7.4	-174.3	-55.4	-71.9	0	0	0	115	L100	L100-F102 PolarHBondContact O-N 3.45Å
103	I	56.4	Low	68.7	Low	89 Å²	89	98.2 Å²	98.2	46%	0.456	49%	0.489	S	S	.	.	T	Hydrogen-bonded Turn	trans	-121.2	-5	-170.4	-46	172.5	0	0	0	112.1	L100	L100-I103 HydrophobicContact CB-CD1 4.47Å; L100-I103 HydrophobicContact CD1-CD1 4.3Å; L100-I103 PolarHBondContact O-N 2.87Å
104	S	54.8	Low	68.7	Low	64 Å²	64	98.2 Å²	98.2	45%	0.448	49%	0.489	S	S	.	.	G	3₁₀ helix	trans	-70.5	-33.6	-170.7	52.6	0	0	0	0	114.5	W106	S104-W106 PolarHBondContact O-N 3.08Å
105	S	54.9	Low	68.8	Low	124 Å²	124	99.5 Å²	99.5	87%	0.867	50%	0.496	S	S	*	.	G	3₁₀ helix	trans	-76.7	-14.4	-169	-54.1	0	0	0	0	115.3
106	W	55.3	Low	68.9	Low	248 Å²	248	99.3 Å²	99.3	94%	0.939	50%	0.495	S	S	*	.	G	3₁₀ helix	trans	-100.2	-4.7	-168.6	-134.5	-45.6	0	0	0	115.2	S104	S104-W106 PolarHBondContact O-N 3.08Å
107	K	58.4	Low	69.3	Low	149 Å²	149	100.9 Å²	100.9	65%	0.648	50%	0.5	S	S	*	.			trans	-109.6	123.4	-177.9	-75.5	-175.3	177.4	-178.8	0	111.4	E109	K107-E109 PolarHBondContact O-N 2.9Å
108	K	59.3	Low	69.9	Low	208 Å²	208	101 Å²	101	90%	0.904	50%	0.5	S	S	*	.			trans	-59.8	111.1	159.5	-71.9	-175.5	179.5	178.6	0	107.1	P110	K108-P110 WeakPolarHBondContact O-CD 3.42Å
109	E	62.7	Low	70.7	Confident	111 Å²	111	95.4 Å²	95.4	52%	0.519	47%	0.471	S	S	.	.			trans	-66.4	123.6	179.3	-79.6	-164.2	-177.3	0	0	109.9	K61 K107 R111	K61-E109 IonicContact NZ-OE2 2.86Å; K61-E109 PolarHBondContact NZ-OE2 3.48Å; K107-E109 PolarHBondContact O-N 2.9Å; E109-R111 PolarHBondContact O-N 3.44Å
110	P	64.3	Low	71.8	Confident	70 Å²	70	91.6 Å²	91.6	46%	0.455	45%	0.449	S	S	.	.			trans	-65.9	133.5	174.1	30.4	-35.1	0	0	0	108.6	K61 T63 K108 G112	K61-P110 HydrophobicContact CB-CG 4.43Å; K61-P110 WeakPolarHBondContact CD-O 3.11Å; K61-P110 WeakPolarHBondContact CE-O 3.44Å; K61-P110 PolarHBondContact NZ-O 3.03Å; T63-P110 HydrophobicContact CG2-CB 3.8Å; T63-P110 HydrophobicContact CG2-CG 3.78Å; K108-P110 WeakPolarHBondContact O-CD 3.42Å; P110-G112 PolarHBondContact O-N 3.48Å
111	R	70.4	Confident	73.1	Confident	245 Å²	245	88 Å²	88	93%	0.925	43%	0.431	S	S	*	.			trans	-85	112.4	176.4	-60.1	-174.1	-162.5	-168.2	5.4	107.5	E109	E109-R111 PolarHBondContact O-N 3.44Å
112	G	79.6	Confident	74.7	Confident	16 Å²	16	89 Å²	89	17%	0.165	43%	0.427	C	S	.	.			trans	-151.9	147.4	177.2	0	0	0	0	0	110.4	P110	P110-G112 PolarHBondContact O-N 3.48Å
113	V	87.9	Confident	76.1	Confident	67 Å²	67	81.7 Å²	81.7	41%	0.406	40%	0.397	S	S	.	.			trans	-120.5	135.5	-179.6	-65.6	0	0	0	0	109.5	H84 E92	H84-V113 HydrophobicContact CB-CG1 4.37Å; E92-V113 HydrophobicContact CB-CB 4.41Å
114	L	90.8	Very high	77.6	Confident	1 Å²	1	78.6 Å²	78.6	1%	0.005	38%	0.382	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-95.3	126.9	175.4	-60.8	174.6	0	0	0	109.1	F62 T64 I68 I93 H95 V116 F143 L153	F62-L114 HydrophobicContact CB-CD1 4.13Å; F62-L114 HydrophobicContact CB-CD2 4.45Å; T64-L114 VanDerWaalsContact C-CD2 3.43Å; I68-L114 HydrophobicContact CD1-CD1 4.16Å; I68-L114 HydrophobicContact CD1-CD2 4.39Å; I93-L114 PolarHBondContact N-O 3.01Å; I93-L114 WeakPolarHBondContact O-CB 3.3Å; I93-L114 PolarHBondContact O-N 2.97Å; H95-L114 HydrophobicContact CB-CD1 3.97Å; L114-V116 HydrophobicContact CB-CG2 4.39Å; L114-V116 PolarHBondContact O-N 3.42Å; L114-F143 HydrophobicContact CD1-CE2 4.36Å; L114-F143 HydrophobicContact CD1-CZ 4.02Å; L114-L153 HydrophobicContact CB-CD1 4.14Å; L114-L153 HydrophobicContact CD1-CD1 4.15Å; L114-L153 HydrophobicContact CD2-CD1 4.4Å; L114-L153 HydrophobicContact CG-CD1 4.48Å
115	L	91.2	Very high	79.2	Confident	50 Å²	50	82 Å²	82	26%	0.262	39%	0.391	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-79.1	115.3	170.8	-177.2	64.2	0	0	0	109.8	C89 A152 L153	C89-L115 HydrophobicContact CB-CD1 4.47Å; C89-L115 HydrophobicContact CB-CD2 4.43Å; L115-A152 HydrophobicContact CD2-CB 4.11Å; L115-A152 HydrophobicContact CG-CB 4.34Å; L115-L153 PolarHBondContact O-N 2.78Å
116	V	91.6	Very high	80.8	Confident	0 Å²	0	81.3 Å²	81.3	0%	0	38%	0.376	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-116.6	126.7	-177.6	179.7	0	0	0	0	110.3	L91 I93 L114 L153 C155 L157	L91-V116 PolarHBondContact N-O 2.85Å; L91-V116 PolarHBondContact O-N 3.21Å; I93-V116 HydrophobicContact CB-CG2 4.26Å; I93-V116 HydrophobicContact CD1-CB 3.88Å; I93-V116 HydrophobicContact CD1-CG1 4.21Å; I93-V116 HydrophobicContact CD1-CG2 3.85Å; I93-V116 HydrophobicContact CG1-CG2 4.47Å; L114-V116 HydrophobicContact CB-CG2 4.39Å; L114-V116 PolarHBondContact O-N 3.42Å; V116-L153 CarbonylContact C-O 3.44Å; V116-L153 WeakPolarHBondContact CA-O 3.25Å; V116-L153 HydrophobicContact CG2-CB 4.42Å; V116-L153 HydrophobicContact CG2-CD1 4.46Å; V116-C155 HydrophobicContact CG1-CB 3.58Å; V116-L157 HydrophobicContact CG1-CD2 4.07Å
117	K	91.3	Very high	82.4	Confident	78 Å²	78	69.5 Å²	69.5	34%	0.339	33%	0.332	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-106.1	144.1	173	-70.8	-179.6	173.2	175.8	0	110	C89 A119 A152 L153 F154 C155	C89-K117 WeakPolarHBondContact O-CE 3.49Å; C89-K117 WeakPolarHBondContact O-CG 3.32Å; K117-A119 PolarHBondContact O-N 3.49Å; K117-A152 HydrophobicContact CD-CB 3.97Å; K117-A152 HydrophobicContact CG-CB 4.31Å; K117-L153 PolarHBondContact N-O 2.83Å; K117-F154 HydrophobicContact CB-CD1 3.79Å; K117-F154 HydrophobicContact CB-CE1 3.91Å; K117-F154 HydrophobicContact CD-CE1 3.95Å; K117-F154 WeakPolarHBondContact O-CA 3.34Å; K117-C155 PolarHBondContact O-N 3.07Å
118	L	90.7	Very high	83.8	Confident	15 Å²	15	65.1 Å²	65.1	8%	0.079	31%	0.313	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-66.4	119.1	173.9	-61	178.4	0	0	0	109.5	L91 G120 V121 L123 L157 N170 I173	L91-L118 HydrophobicContact CD1-CD2 4.3Å; L91-L118 HydrophobicContact CD1-CG 4.33Å; L118-G120 PolarHBondContact O-N 3.14Å; L118-V121 HydrophobicContact CB-CB 4.19Å; L118-L123 HydrophobicContact CD1-CD1 3.77Å; L118-L123 HydrophobicContact CD1-CD2 4.03Å; L118-L123 HydrophobicContact CD1-CG 3.96Å; L118-L157 HydrophobicContact CD2-CB 4.34Å; L118-L157 HydrophobicContact CD2-CD1 3.55Å; L118-L157 HydrophobicContact CD2-CG 3.72Å; L118-N170 WeakPolarHBondContact CD2-OD1 3.48Å; L118-I173 HydrophobicContact CD1-CD1 3.43Å; L118-I173 VanDerWaalsContact CD1-CD1 3.43Å
119	A	89.1	Confident	85.3	Confident	0 Å²	0	59.9 Å²	59.9	0%	0	30%	0.298	C	S	.	.	T	Hydrogen-bonded Turn	trans	-67.2	125.8	177.7	0	0	0	0	0	111.4	K117 V121 L146 F154 C155 Y156 N170 V184	K117-A119 PolarHBondContact O-N 3.49Å; A119-V121 PolarHBondContact O-N 3.28Å; A119-L146 HydrophobicContact CB-CB 4.45Å; A119-L146 HydrophobicContact CB-CD1 3.49Å; A119-L146 VanDerWaalsContact CB-CD1 3.49Å; A119-F154 HydrophobicContact CB-CB 4.14Å; A119-C155 WeakPolarHBondContact CB-O 3.33Å; A119-C155 PolarHBondContact N-O 2.92Å; A119-Y156 HydrophobicContact CB-CD1 4.07Å; A119-Y156 HydrophobicContact CB-CE1 4.19Å; A119-N170 PolarHBondContact N-ND2 2.8Å; A119-N170 PolarHBondContact O-ND2 2.75Å; A119-N170 VanDerWaalsContact O-ND2 3.07Å; A119-V184 HydrophobicContact CB-CG1 3.88Å; A119-V184 HydrophobicContact CB-CG2 4.25Å
120	G	84.6	Confident	86.6	Confident	5 Å²	5	56.7 Å²	56.7	5%	0.052	28%	0.281	C	S	.	.	T	Hydrogen-bonded Turn	trans	70.9	15.3	170.4	0	0	0	0	0	114.9	L118 T181 V182	L118-G120 PolarHBondContact O-N 3.14Å; G120-T181 WeakPolarHBondContact O-CA 3.45Å; G120-V182 CarbonylContact C-O 3.59Å; G120-V182 WeakPolarHBondContact CA-O 3.38Å; G120-V182 PolarHBondContact O-N 3.44Å
121	V	89.3	Confident	87.9	Confident	15 Å²	15	53.5 Å²	53.5	9%	0.091	26%	0.26	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-127.6	125	178.2	-176.2	0	0	0	0	108.4	L118 A119 N170 I173 L174 L201	L118-V121 HydrophobicContact CB-CB 4.19Å; A119-V121 PolarHBondContact O-N 3.28Å; V121-N170 HydrophobicContact CG2-CB 3.91Å; V121-I173 HydrophobicContact CG1-CG2 3.91Å; V121-L174 HydrophobicContact CG1-CD2 4.06Å; V121-L174 HydrophobicContact CG1-CG 4.31Å; V121-L174 HydrophobicContact CG2-CD1 3.88Å; V121-L174 HydrophobicContact CG2-CD2 4.3Å; V121-L174 HydrophobicContact CG2-CG 3.97Å; V121-L201 HydrophobicContact CG2-CD2 4.31Å
122	E	88.3	Confident	88.8	Confident	119 Å²	119	46.9 Å²	46.9	56%	0.556	24%	0.239	S	C	*	.	E	Extended strand (participates in β ladder)	trans	-98.7	117.3	165.5	-179.2	173.8	-162.1	0	0	107.8	G179 K180 V182	E122-G179 CarbonylContact O-C 3.6Å; E122-G179 WeakPolarHBondContact O-CA 3.47Å; E122-K180 PolarHBondContact N-O 3.32Å; E122-K180 PolarHBondContact O-N 2.91Å; E122-V182 HydrophobicContact CB-CG2 3.54Å; E122-V182 WeakPolarHBondContact OE2-CG2 3.28Å
123	L	88.2	Confident	89.2	Confident	42 Å²	42	54.9 Å²	54.9	22%	0.22	27%	0.27	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-78.2	137.1	-179.6	-74.2	169.1	0	0	0	110	L118 K128 L131 I173	L118-L123 HydrophobicContact CD1-CD1 3.77Å; L118-L123 HydrophobicContact CD1-CD2 4.03Å; L118-L123 HydrophobicContact CD1-CG 3.96Å; L123-K128 HydrophobicContact CB-CG 4.29Å; L123-L131 HydrophobicContact CD1-CD2 3.95Å; L123-I173 HydrophobicContact CD2-CD1 4.01Å; L123-I173 HydrophobicContact CD2-CG1 4.45Å; L123-I173 HydrophobicContact CD2-CG2 3.61Å
124	T	88.1	Confident	89.2	Confident	24 Å²	24	54.7 Å²	54.7	15%	0.147	27%	0.265	C	S	.	.	P	Polyproline II helix	trans	-82.1	166.5	163.7	62.8	0	0	0	0	110.6	I126 G127 K128 L178 I215	T124-I126 PolarHBondContact O-N 3.47Å; T124-G127 CarbonylContact O-C 3.54Å; T124-G127 WeakPolarHBondContact O-CA 3.25Å; T124-G127 PolarHBondContact O-N 3.47Å; T124-G127 PolarHBondContact OG1-N 3.2Å; T124-K128 PolarHBondContact O-N 2.93Å; T124-L178 PolarHBondContact N-O 3Å; T124-L178 PolarHBondContact OG1-O 2.96Å; T124-L178 VanDerWaalsContact OG1-O 3.14Å; T124-I215 HydrophobicContact CG2-CG2 3.81Å
125	E	88.1	Confident	89.1	Confident	134 Å²	134	55 Å²	55	63%	0.626	27%	0.266	S	S	*	.	H	α-helix	trans	-56.4	-42.3	177.5	-72.4	58.6	-129.3	0	0	110.9	G127 K128 V129	E125-G127 VanDerWaalsContact C-N 3.29Å; E125-G127 PolarHBondContact O-N 2.96Å; E125-K128 WeakPolarHBondContact O-CB 2.84Å; E125-K128 PolarHBondContact O-N 3.29Å; E125-K128 VanDerWaalsContact O-N 3.16Å; E125-V129 PolarHBondContact O-N 3.18Å
126	I	88	Confident	88.8	Confident	111 Å²	111	59.9 Å²	59.9	57%	0.569	29%	0.285	S	S	*	.	H	α-helix	trans	-61.7	-40	174.6	-54.8	169.1	0	0	0	110.5	T124 K128 V129 W130 L178	T124-I126 PolarHBondContact O-N 3.47Å; I126-K128 VanDerWaalsContact C-N 3.35Å; I126-V129 PolarHBondContact O-N 3.36Å; I126-W130 WeakPolarHBondContact O-CB 3.39Å; I126-W130 PolarHBondContact O-N 3.06Å; I126-L178 HydrophobicContact CG2-CD2 3.92Å
127	G	88	Confident	88.3	Confident	0 Å²	0	65.3 Å²	65.3	0%	0	32%	0.32	C	S	.	.	H	α-helix	trans	-64.6	-35.2	175.5	0	0	0	0	0	113.7	T124 E125 W130 L131	T124-G127 CarbonylContact O-C 3.54Å; T124-G127 WeakPolarHBondContact O-CA 3.25Å; T124-G127 PolarHBondContact O-N 3.47Å; T124-G127 PolarHBondContact OG1-N 3.2Å; E125-G127 VanDerWaalsContact C-N 3.29Å; E125-G127 PolarHBondContact O-N 2.96Å; G127-W130 PolarHBondContact O-N 3.2Å; G127-L131 VanDerWaalsContact O-CB 3.3Å; G127-L131 WeakPolarHBondContact O-CB 3.29Å; G127-L131 PolarHBondContact O-N 3.39Å
128	K	88.8	Confident	87.9	Confident	57 Å²	57	64.8 Å²	64.8	25%	0.248	33%	0.327	C	S	.	.	H	α-helix	trans	-64.6	-46.7	175.1	-65.8	178	-178.7	177.3	0	111.5	E88 L123 T124 E125 I126 W130 L131 Q132	E88-K128 IonicContact OE2-NZ 3.32Å; E88-K128 PolarHBondContact OE2-NZ 3.05Å; L123-K128 HydrophobicContact CB-CG 4.29Å; T124-K128 PolarHBondContact O-N 2.93Å; E125-K128 WeakPolarHBondContact O-CB 2.84Å; E125-K128 PolarHBondContact O-N 3.29Å; E125-K128 VanDerWaalsContact O-N 3.16Å; I126-K128 VanDerWaalsContact C-N 3.35Å; K128-W130 VanDerWaalsContact C-N 3.34Å; K128-W130 PolarHBondContact O-N 3.3Å; K128-L131 WeakPolarHBondContact O-CB 3.14Å; K128-L131 PolarHBondContact O-N 3.45Å; K128-Q132 WeakPolarHBondContact O-CG 3.25Å; K128-Q132 PolarHBondContact O-N 3.08Å
129	V	90.3	Very high	87.8	Confident	97 Å²	97	66 Å²	66	59%	0.588	33%	0.332	S	S	*	.	H	α-helix	trans	-62.4	-43.3	177.2	177.6	0	0	0	0	110.7	E125 I126 L131 Q132 K133	E125-V129 PolarHBondContact O-N 3.18Å; I126-V129 PolarHBondContact O-N 3.36Å; V129-L131 VanDerWaalsContact C-N 3.33Å; V129-L131 PolarHBondContact O-N 3.33Å; V129-Q132 PolarHBondContact O-N 3.36Å; V129-K133 PolarHBondContact O-N 3.31Å; V129-K133 VanDerWaalsContact O-N 3.08Å
130	W	91.3	Very high	87.8	Confident	45 Å²	45	70 Å²	70	17%	0.17	35%	0.353	C	S	.	.	H	α-helix	trans	-61.1	-42.6	175.4	179.7	82.2	0	0	0	112.1	I126 G127 K128 Q132 K133 E134 L169 E172 I173 K176 L178	I126-W130 WeakPolarHBondContact O-CB 3.39Å; I126-W130 PolarHBondContact O-N 3.06Å; G127-W130 PolarHBondContact O-N 3.2Å; K128-W130 VanDerWaalsContact C-N 3.34Å; K128-W130 PolarHBondContact O-N 3.3Å; W130-Q132 VanDerWaalsContact C-N 3.32Å; W130-Q132 PolarHBondContact O-N 3.44Å; W130-K133 PolarHBondContact O-N 3.28Å; W130-K133 VanDerWaalsContact O-N 3.16Å; W130-E134 HydrophobicContact CH2-CB 4.23Å; W130-E134 HydrophobicContact CH2-CG 3.9Å; W130-E134 HydrophobicContact CZ2-CB 4.18Å; W130-E134 HydrophobicContact CZ2-CG 3.92Å; W130-E134 HydrophobicContact CZ3-CB 4.39Å; W130-E134 HydrophobicContact CZ3-CG 4.47Å; W130-E134 WeakPolarHBondContact O-CB 3.31Å; W130-E134 PolarHBondContact O-N 2.67Å; W130-L169 HydrophobicContact CH2-CD1 3.86Å; W130-L169 HydrophobicContact CZ3-CD1 3.93Å; W130-E172 HydrophobicContact CH2-CG 4.26Å; W130-I173 HydrophobicContact CE3-CG1 4.14Å; W130-I173 HydrophobicContact CZ3-CD1 4.44Å; W130-I173 HydrophobicContact CZ3-CG1 3.59Å; W130-K176 HydrophobicContact CH2-CD 4.39Å; W130-K176 HydrophobicContact CZ2-CD 3.76Å; W130-L178 HydrophobicContact CB-CD1 3.76Å; W130-L178 HydrophobicContact CD2-CD1 3.35Å; W130-L178 HydrophobicContact CE3-CD1 3.64Å; W130-L178 HydrophobicContact CG-CD1 3.39Å; W130-L178 HydrophobicContact CZ3-CD1 4.44Å
131	L	90.4	Very high	88.2	Confident	2 Å²	2	69.8 Å²	69.8	1%	0.01	35%	0.351	C	S	.	.	H	α-helix	trans	-61.7	-40	178.7	-174.1	66.3	0	0	0	112.2	I86 L91 L123 G127 K128 V129 K133 E134 L135 L169 I173	I86-L131 HydrophobicContact CD1-CG 4.2Å; I86-L131 HydrophobicContact CG2-CD2 4.44Å; L91-L131 HydrophobicContact CD1-CD2 4.38Å; L91-L131 HydrophobicContact CD2-CD2 4.33Å; L123-L131 HydrophobicContact CD1-CD2 3.95Å; G127-L131 VanDerWaalsContact O-CB 3.3Å; G127-L131 WeakPolarHBondContact O-CB 3.29Å; G127-L131 PolarHBondContact O-N 3.39Å; K128-L131 WeakPolarHBondContact O-CB 3.14Å; K128-L131 PolarHBondContact O-N 3.45Å; V129-L131 VanDerWaalsContact C-N 3.33Å; V129-L131 PolarHBondContact O-N 3.33Å; L131-K133 VanDerWaalsContact C-N 3.34Å; L131-E134 PolarHBondContact O-N 2.88Å; L131-L135 HydrophobicContact CD1-CD1 3.57Å; L131-L135 HydrophobicContact CD1-CG 4.09Å; L131-L135 HydrophobicContact CG-CD1 3.94Å; L131-L135 WeakPolarHBondContact O-CB 3.38Å; L131-L135 PolarHBondContact O-N 2.98Å; L131-L169 HydrophobicContact CD1-CD2 3.46Å; L131-L169 VanDerWaalsContact CD1-CD2 3.46Å; L131-L169 HydrophobicContact CD1-CG 4.2Å; L131-I173 HydrophobicContact CD1-CD1 4.39Å
132	Q	88.8	Confident	88.3	Confident	106 Å²	106	73.2 Å²	73.2	50%	0.495	36%	0.362	S	S	.	.	H	α-helix	trans	-66	-34.9	174.9	-71.9	174.8	-5.6	0	0	112.8	I86 K128 V129 W130	I86-Q132 HydrophobicContact CB-CG 4.31Å; I86-Q132 HydrophobicContact CD1-CB 4.38Å; I86-Q132 HydrophobicContact CD1-CG 3.87Å; I86-Q132 HydrophobicContact CG2-CG 4.3Å; K128-Q132 WeakPolarHBondContact O-CG 3.25Å; K128-Q132 PolarHBondContact O-N 3.08Å; V129-Q132 PolarHBondContact O-N 3.36Å; W130-Q132 VanDerWaalsContact C-N 3.32Å; W130-Q132 PolarHBondContact O-N 3.44Å
133	K	89.3	Confident	88.5	Confident	185 Å²	185	67.5 Å²	67.5	80%	0.804	34%	0.335	S	S	*	.	H	α-helix	trans	-72.4	-37.1	175.4	-173.1	176.3	-179.3	176	0	112.3	V129 W130 L131	V129-K133 PolarHBondContact O-N 3.31Å; V129-K133 VanDerWaalsContact O-N 3.08Å; W130-K133 PolarHBondContact O-N 3.28Å; W130-K133 VanDerWaalsContact O-N 3.16Å; L131-K133 VanDerWaalsContact C-N 3.34Å
134	E	88.3	Confident	88.6	Confident	63 Å²	63	67.5 Å²	67.5	29%	0.294	33%	0.334	S	S	.	.	H	α-helix	trans	-77.5	-37.6	-175.8	-169.2	64.6	-155.9	0	0	112.6	W130 L131 K161	W130-E134 HydrophobicContact CH2-CB 4.23Å; W130-E134 HydrophobicContact CH2-CG 3.9Å; W130-E134 HydrophobicContact CZ2-CB 4.18Å; W130-E134 HydrophobicContact CZ2-CG 3.92Å; W130-E134 HydrophobicContact CZ3-CB 4.39Å; W130-E134 HydrophobicContact CZ3-CG 4.47Å; W130-E134 WeakPolarHBondContact O-CB 3.31Å; W130-E134 PolarHBondContact O-N 2.67Å; L131-E134 PolarHBondContact O-N 2.88Å; E134-K161 WeakPolarHBondContact OE1-CE 3.49Å; E134-K161 IonicContact OE1-NZ 3.87Å; E134-K161 PolarHBondContact OE1-NZ 3.41Å; E134-K161 IonicContact OE2-NZ 3.8Å
135	L	87.7	Confident	88.7	Confident	6 Å²	6	66.4 Å²	66.4	3%	0.031	33%	0.327	C	S	.	.	S	Bend	trans	-94.3	117.6	-178.2	-65.6	177.4	0	0	0	111.1	L83 I86 L91 L131 V159 L169	L83-L135 HydrophobicContact CD2-CB 3.55Å; L83-L135 HydrophobicContact CD2-CD1 3.93Å; L83-L135 HydrophobicContact CD2-CG 4.29Å; I86-L135 HydrophobicContact CD1-CB 4.3Å; I86-L135 HydrophobicContact CD1-CD1 4.19Å; L91-L135 HydrophobicContact CD2-CD1 3.51Å; L131-L135 HydrophobicContact CD1-CD1 3.57Å; L131-L135 HydrophobicContact CD1-CG 4.09Å; L131-L135 HydrophobicContact CG-CD1 3.94Å; L131-L135 WeakPolarHBondContact O-CB 3.38Å; L131-L135 PolarHBondContact O-N 2.98Å; L135-V159 HydrophobicContact CD2-CG1 4.43Å; L135-V159 HydrophobicContact CD2-CG2 3.86Å; L135-L169 HydrophobicContact CD1-CD2 4.08Å; L135-L169 HydrophobicContact CD2-CD2 4.17Å; L135-L169 HydrophobicContact CG-CD2 4.36Å
136	K	85.3	Confident	88.6	Confident	154 Å²	154	60 Å²	60	67%	0.67	30%	0.298	S	S	*	.	P	Polyproline II helix	trans	-72.5	144.7	173.8	-62.4	179.8	-178.2	-179.4	0	110.3	S138 Q139	K136-S138 PolarHBondContact O-N 2.95Å; K136-Q139 HydrophobicContact CB-CB 4.19Å; K136-Q139 WeakPolarHBondContact O-CB 3.39Å; K136-Q139 PolarHBondContact O-N 3.12Å; K136-Q139 VanDerWaalsContact O-N 3.1Å
137	P	81.6	Confident	88.6	Confident	113 Å²	113	54.8 Å²	54.8	73%	0.734	27%	0.27	S	S	*	.	T	Hydrogen-bonded Turn	trans	-59	140.7	170.4	26.4	-33.4	0	0	0	109.3	Q139	P137-Q139 PolarHBondContact O-N 3.31Å
138	S	83.2	Confident	88.5	Confident	68 Å²	68	58.5 Å²	58.5	48%	0.476	29%	0.287	S	S	.	.	T	Hydrogen-bonded Turn	trans	62.6	15.6	-175.1	-60.1	0	0	0	0	115.8	L83 K136 L140	L83-S138 WeakPolarHBondContact O-CA 3.47Å; L83-S138 PolarHBondContact O-N 2.89Å; K136-S138 PolarHBondContact O-N 2.95Å; S138-L140 PolarHBondContact O-N 3Å
139	Q	88.3	Confident	88.2	Confident	40 Å²	40	59 Å²	59	19%	0.187	29%	0.29	C	S	.	.			trans	-66.2	135.5	175.3	-174.3	166.9	-3.5	0	0	111.5	L83 K136 P137	L83-Q139 PolarHBondContact N-O 3.24Å; K136-Q139 HydrophobicContact CB-CB 4.19Å; K136-Q139 WeakPolarHBondContact O-CB 3.39Å; K136-Q139 PolarHBondContact O-N 3.12Å; K136-Q139 VanDerWaalsContact O-N 3.1Å; P137-Q139 PolarHBondContact O-N 3.31Å
140	L	89.3	Confident	87.6	Confident	84 Å²	84	61.4 Å²	61.4	44%	0.44	30%	0.3	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-76.3	129.4	171.9	-67.4	169	0	0	0	110.1	R80 G81 R82 I96 S138	R80-L140 VanDerWaalsContact NH2-CD1 3.26Å; G81-L140 WeakPolarHBondContact O-CA 3.31Å; R82-L140 HydrophobicContact CB-CD2 4.46Å; I96-L140 HydrophobicContact CD1-CD2 3.24Å; S138-L140 PolarHBondContact O-N 3Å
141	L	91.6	Very high	87.2	Confident	1 Å²	1	63.1 Å²	63.1	1%	0.005	32%	0.318	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-140.4	161.3	178.7	59.9	79.7	0	0	0	110.8	G81 L83 I93 F143 L157 V159	G81-L141 PolarHBondContact N-O 2.88Å; G81-L141 PolarHBondContact O-N 3.4Å; G81-L141 VanDerWaalsContact O-O 3.12Å; L83-L141 HydrophobicContact CB-CD2 4.15Å; I93-L141 HydrophobicContact CD1-CD1 3.84Å; I93-L141 HydrophobicContact CD1-CD2 4.22Å; I93-L141 HydrophobicContact CG2-CD1 4.41Å; L141-F143 HydrophobicContact CD1-CB 4.18Å; L141-F143 HydrophobicContact CD1-CD1 3.98Å; L141-L157 HydrophobicContact CD1-CD2 4.16Å; L141-V159 HydrophobicContact CB-CG2 4.46Å
142	W	91.9	Very high	87.1	Confident	86 Å²	86	63.2 Å²	63.2	33%	0.326	32%	0.319	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-102.6	135.1	169.2	-67.1	91	0	0	0	108.4	K78 L79 R80 L158	K78-W142 HydrophobicContact CB-CE3 4.24Å; L79-W142 CarbonylContact O-C 3.44Å; L79-W142 WeakPolarHBondContact O-CA 3.35Å; R80-W142 HydrophobicContact CB-CD2 4.45Å; R80-W142 HydrophobicContact CB-CE3 4.05Å; R80-W142 HydrophobicContact CB-CH2 4.14Å; R80-W142 HydrophobicContact CB-CZ3 3.9Å; W142-L158 HydrophobicContact CB-CB 3.85Å; W142-L158 HydrophobicContact CB-CD1 4.39Å; W142-L158 PolarHBondContact N-O 3.3Å; W142-L158 WeakPolarHBondContact O-CB 3.34Å; W142-L158 PolarHBondContact O-N 3.36Å
143	F	92.2	Very high	87.1	Confident	0 Å²	0	58.1 Å²	58.1	0%	0	30%	0.296	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-122.9	124.4	173.1	62.4	-84.7	0	0	0	109.8	L79 I93 H95 L114 L141 L145 C155 Y156 L157	L79-F143 HydrophobicContact CB-CD1 4.32Å; L79-F143 HydrophobicContact CB-CD2 4.17Å; L79-F143 HydrophobicContact CB-CE1 3.82Å; L79-F143 HydrophobicContact CB-CE2 3.68Å; L79-F143 HydrophobicContact CB-CG 4.48Å; L79-F143 HydrophobicContact CB-CZ 3.48Å; L79-F143 VanDerWaalsContact CB-CZ 3.48Å; L79-F143 HydrophobicContact CD1-CE2 3.79Å; L79-F143 HydrophobicContact CD1-CZ 3.97Å; L79-F143 HydrophobicContact CG-CE2 4.27Å; L79-F143 HydrophobicContact CG-CZ 4.37Å; L79-F143 PolarHBondContact N-O 2.9Å; L79-F143 WeakPolarHBondContact O-CD1 3.43Å; L79-F143 PolarHBondContact O-N 2.92Å; I93-F143 HydrophobicContact CG2-CD1 4.03Å; I93-F143 HydrophobicContact CG2-CE1 3.81Å; H95-F143 AromaticContact CD2-CZ 3.97Å; L114-F143 HydrophobicContact CD1-CE2 4.36Å; L114-F143 HydrophobicContact CD1-CZ 4.02Å; L141-F143 HydrophobicContact CD1-CB 4.18Å; L141-F143 HydrophobicContact CD1-CD1 3.98Å; F143-L145 HydrophobicContact CD2-CD2 4.1Å; F143-L145 HydrophobicContact CE2-CD2 4Å; F143-C155 HydrophobicContact CB-CB 4.22Å; F143-Y156 CarbonylContact C-O 3.6Å; F143-Y156 VanDerWaalsContact CA-O 3.29Å; F143-Y156 WeakPolarHBondContact CA-O 3.37Å; F143-L157 HydrophobicContact CB-CD2 3.63Å
144	Q	91.4	Very high	87.1	Confident	42 Å²	42	50.4 Å²	50.4	20%	0.196	26%	0.262	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-93.1	120.7	178.4	-172.6	174.8	6.7	0	0	109.6	K76 K78 C155 Y156 L158	K76-Q144 HydrophobicContact CB-CG 4.38Å; K76-Q144 WeakPolarHBondContact O-CG 3.44Å; K76-Q144 PolarHBondContact O-NE2 3.04Å; K78-Q144 HydrophobicContact CG-CB 4.08Å; K78-Q144 HydrophobicContact CG-CG 4.08Å; Q144-C155 CarbonylContact O-C 3.54Å; Q144-C155 WeakPolarHBondContact O-CA 3.14Å; Q144-C155 VanDerWaalsContact O-CB 3.26Å; Q144-C155 WeakPolarHBondContact O-CB 3.29Å; Q144-Y156 PolarHBondContact N-O 3.21Å; Q144-Y156 PolarHBondContact O-N 3.24Å; Q144-L158 HydrophobicContact CB-CD1 4.26Å
145	L	89.6	Confident	87.2	Confident	0 Å²	0	47.4 Å²	47.4	0%	0	25%	0.248	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-70.2	128	-179.8	-62.5	173.7	0	0	0	110.6	I68 F72 I73 K76 V77 L79 F143 L153	I68-L145 HydrophobicContact CD1-CD2 4.39Å; I68-L145 HydrophobicContact CG2-CD1 3.73Å; F72-L145 HydrophobicContact CB-CD1 3.83Å; I73-L145 HydrophobicContact CG1-CB 4.48Å; K76-L145 VanDerWaalsContact CA-O 3.31Å; K76-L145 WeakPolarHBondContact CA-O 3.29Å; V77-L145 PolarHBondContact O-N 3.26Å; L79-L145 HydrophobicContact CD1-CD1 3.66Å; L79-L145 HydrophobicContact CD1-CD2 4.38Å; L79-L145 HydrophobicContact CD1-CG 4.13Å; L79-L145 HydrophobicContact CG-CD1 4.2Å; L79-L145 HydrophobicContact CG-CG 4.48Å; F143-L145 HydrophobicContact CD2-CD2 4.1Å; F143-L145 HydrophobicContact CE2-CD2 4Å; L145-L153 HydrophobicContact CD2-CD1 4.17Å; L145-L153 HydrophobicContact CD2-CD2 4.47Å
146	L	86.7	Confident	87.4	Confident	1 Å²	1	47.4 Å²	47.4	1%	0.005	25%	0.248	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-121.7	-37.5	177.6	-65.9	176.9	0	0	0	112.6	I73 K76 A119 F154 Y156 L187 I197	I73-L146 WeakPolarHBondContact CG2-O 3.36Å; K76-L146 HydrophobicContact CD-CD2 3.95Å; K76-L146 HydrophobicContact CG-CD2 4.18Å; A119-L146 HydrophobicContact CB-CB 4.45Å; A119-L146 HydrophobicContact CB-CD1 3.49Å; A119-L146 VanDerWaalsContact CB-CD1 3.49Å; L146-F154 WeakPolarHBondContact CA-O 3.49Å; L146-F154 WeakPolarHBondContact CB-O 3.48Å; L146-F154 PolarHBondContact N-O 3.05Å; L146-Y156 HydrophobicContact CD1-CD1 3.46Å; L146-Y156 VanDerWaalsContact CD1-CD1 3.46Å; L146-Y156 HydrophobicContact CD1-CD2 4.22Å; L146-Y156 HydrophobicContact CD1-CE1 3.71Å; L146-Y156 HydrophobicContact CD1-CE2 4.42Å; L146-Y156 HydrophobicContact CD1-CG 3.79Å; L146-L187 HydrophobicContact CB-CD1 4.2Å; L146-L187 HydrophobicContact CB-CD2 4.32Å; L146-L187 HydrophobicContact CB-CG 4.36Å; L146-L187 WeakPolarHBondContact O-CD2 3.35Å; L146-L187 WeakPolarHBondContact O-CG 3.31Å; L146-I197 HydrophobicContact CD2-CD1 3.83Å
147	G	85.9	Confident	87.7	Confident	0 Å²	0	40.1 Å²	40.1	0%	0	22%	0.216	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-160.8	172.4	179.2	0	0	0	0	0	111.4	F154	G147-F154 PolarHBondContact N-O 3.09Å; G147-F154 VanDerWaalsContact N-O 3.12Å; G147-F154 PolarHBondContact O-N 2.95Å
148	K	86.2	Confident	88.2	Confident	79 Å²	79	35.7 Å²	35.7	34%	0.343	19%	0.186	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-142.3	138.5	175.2	176.8	-176.8	168.7	-170.7	0	109.2	S65 A66 I73 A152 L153	S65-K148 WeakPolarHBondContact O-CD 3.46Å; S65-K148 VanDerWaalsContact O-CE 3.25Å; S65-K148 WeakPolarHBondContact O-CE 3.48Å; S65-K148 PolarHBondContact O-NZ 3.04Å; A66-K148 VanDerWaalsContact CA-NZ 3.25Å; I73-K148 HydrophobicContact CD1-CB 3.74Å; K148-A152 WeakPolarHBondContact CA-O 3.47Å; K148-L153 HydrophobicContact CB-CD2 4.01Å; K148-L153 HydrophobicContact CD-CD2 4.19Å; K148-L153 HydrophobicContact CG-CD2 3.98Å
149	E	82.8	Confident	88.5	Confident	67 Å²	67	32.5 Å²	32.5	31%	0.313	16%	0.164	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-152.6	134.5	177.2	-175.4	179.7	-167.4	0	0	109.3	S151 A152 F154 K185	E149-S151 PolarHBondContact O-N 2.69Å; E149-S151 VanDerWaalsContact O-N 3.09Å; E149-A152 PolarHBondContact N-O 3.14Å; E149-A152 WeakPolarHBondContact O-CA 3.5Å; E149-A152 PolarHBondContact O-N 2.95Å; E149-A152 VanDerWaalsContact O-O 3.12Å; E149-F154 HydrophobicContact CB-CD2 4.4Å; E149-F154 HydrophobicContact CB-CE2 3.51Å; E149-F154 HydrophobicContact CB-CZ 4.23Å; E149-F154 HydrophobicContact CG-CE2 4.48Å; E149-F154 VanDerWaalsContact OE2-CE2 3.23Å; E149-F154 WeakPolarHBondContact OE2-CE2 3.48Å; E149-F154 VanDerWaalsContact OE2-CZ 3.29Å; E149-F154 WeakPolarHBondContact OE2-CZ 3.25Å; E149-K185 WeakPolarHBondContact OE2-CB 3.46Å; E149-K185 WeakPolarHBondContact OE2-CD 3.45Å
150	N	78.1	Confident	88.4	Confident	148 Å²	148	34.3 Å²	34.3	79%	0.791	18%	0.175	S	C	*	.	T	Hydrogen-bonded Turn	trans	44.9	48.2	172.6	-57.2	-25.7	0	0	0	113.6	A152	N150-A152 PolarHBondContact O-N 3.31Å; N150-A152 VanDerWaalsContact O-N 3.09Å
151	S	83	Confident	87.9	Confident	81 Å²	81	33.8 Å²	33.8	57%	0.566	17%	0.169	S	C	*	.	T	Hydrogen-bonded Turn	trans	67.5	-1.9	-177.8	-55.1	0	0	0	0	117.1	S65 E149	S65-S151 VanDerWaalsContact CB-O 3.3Å; S65-S151 WeakPolarHBondContact CB-O 3.46Å; S65-S151 VanDerWaalsContact OG-C 3.29Å; S65-S151 WeakPolarHBondContact OG-CA 3.4Å; S65-S151 PolarHBondContact OG-O 3.47Å; E149-S151 PolarHBondContact O-N 2.69Å; E149-S151 VanDerWaalsContact O-N 3.09Å
152	A	87.2	Confident	86.6	Confident	3 Å²	3	36.8 Å²	36.8	3%	0.025	20%	0.2	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-94.5	142.7	171.3	0	0	0	0	0	111.6	L115 K117 K148 E149 N150	L115-A152 HydrophobicContact CD2-CB 4.11Å; L115-A152 HydrophobicContact CG-CB 4.34Å; K117-A152 HydrophobicContact CD-CB 3.97Å; K117-A152 HydrophobicContact CG-CB 4.31Å; K148-A152 WeakPolarHBondContact CA-O 3.47Å; E149-A152 PolarHBondContact N-O 3.14Å; E149-A152 WeakPolarHBondContact O-CA 3.5Å; E149-A152 PolarHBondContact O-N 2.95Å; E149-A152 VanDerWaalsContact O-O 3.12Å; N150-A152 PolarHBondContact O-N 3.31Å; N150-A152 VanDerWaalsContact O-N 3.09Å
153	L	89.8	Confident	85.5	Confident	0 Å²	0	35.3 Å²	35.3	0%	0	21%	0.212	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-99.5	128.3	176.1	-60.7	170	0	0	0	109.9	I68 L114 L115 V116 K117 L145 K148	I68-L153 HydrophobicContact CD1-CD1 3.32Å; I68-L153 HydrophobicContact CD1-CD2 3.88Å; I68-L153 HydrophobicContact CD1-CG 4.22Å; L114-L153 HydrophobicContact CB-CD1 4.14Å; L114-L153 HydrophobicContact CD1-CD1 4.15Å; L114-L153 HydrophobicContact CD2-CD1 4.4Å; L114-L153 HydrophobicContact CG-CD1 4.48Å; L115-L153 PolarHBondContact O-N 2.78Å; V116-L153 CarbonylContact C-O 3.44Å; V116-L153 WeakPolarHBondContact CA-O 3.25Å; V116-L153 HydrophobicContact CG2-CB 4.42Å; V116-L153 HydrophobicContact CG2-CD1 4.46Å; K117-L153 PolarHBondContact N-O 2.83Å; L145-L153 HydrophobicContact CD2-CD1 4.17Å; L145-L153 HydrophobicContact CD2-CD2 4.47Å; K148-L153 HydrophobicContact CB-CD2 4.01Å; K148-L153 HydrophobicContact CD-CD2 4.19Å; K148-L153 HydrophobicContact CG-CD2 3.98Å
154	F	89.9	Confident	84	Confident	22 Å²	22	46.1 Å²	46.1	10%	0.096	25%	0.254	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-89.2	118.4	169.9	-64.2	-69.4	0	0	0	109.4	K117 A119 L146 G147 E149 K185	K117-F154 HydrophobicContact CB-CD1 3.79Å; K117-F154 HydrophobicContact CB-CE1 3.91Å; K117-F154 HydrophobicContact CD-CE1 3.95Å; K117-F154 WeakPolarHBondContact O-CA 3.34Å; A119-F154 HydrophobicContact CB-CB 4.14Å; L146-F154 WeakPolarHBondContact CA-O 3.49Å; L146-F154 WeakPolarHBondContact CB-O 3.48Å; L146-F154 PolarHBondContact N-O 3.05Å; G147-F154 PolarHBondContact N-O 3.09Å; G147-F154 VanDerWaalsContact N-O 3.12Å; G147-F154 PolarHBondContact O-N 2.95Å; E149-F154 HydrophobicContact CB-CD2 4.4Å; E149-F154 HydrophobicContact CB-CE2 3.51Å; E149-F154 HydrophobicContact CB-CZ 4.23Å; E149-F154 HydrophobicContact CG-CE2 4.48Å; E149-F154 VanDerWaalsContact OE2-CE2 3.23Å; E149-F154 WeakPolarHBondContact OE2-CE2 3.48Å; E149-F154 VanDerWaalsContact OE2-CZ 3.29Å; E149-F154 WeakPolarHBondContact OE2-CZ 3.25Å; F154-K185 HydrophobicContact CD2-CB 4.41Å; F154-K185 WeakPolarHBondContact CD2-O 3.4Å; F154-K185 HydrophobicContact CE2-CB 3.75Å; F154-K185 HydrophobicContact CZ-CB 3.96Å; F154-K185 HydrophobicContact CZ-CD 4.38Å
155	C	89.9	Confident	83.2	Confident	0 Å²	0	52.3 Å²	52.3	0%	0	28%	0.281	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-134.9	159.5	-173.5	-59	0	0	0	0	113.3	V116 K117 A119 F143 Q144 N170	V116-C155 HydrophobicContact CG1-CB 3.58Å; K117-C155 PolarHBondContact O-N 3.07Å; A119-C155 WeakPolarHBondContact CB-O 3.33Å; A119-C155 PolarHBondContact N-O 2.92Å; F143-C155 HydrophobicContact CB-CB 4.22Å; Q144-C155 CarbonylContact O-C 3.54Å; Q144-C155 WeakPolarHBondContact O-CA 3.14Å; Q144-C155 VanDerWaalsContact O-CB 3.26Å; Q144-C155 WeakPolarHBondContact O-CB 3.29Å; C155-N170 PolarHBondContact O-ND2 2.88Å
156	Y	91.3	Very high	82.8	Confident	7 Å²	7	55.8 Å²	55.8	3%	0.027	30%	0.299	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-90.5	130.3	156.7	-76.9	-7	0	0	0	109.9	A119 F143 Q144 L146 N170 I197 L201	A119-Y156 HydrophobicContact CB-CD1 4.07Å; A119-Y156 HydrophobicContact CB-CE1 4.19Å; F143-Y156 CarbonylContact C-O 3.6Å; F143-Y156 VanDerWaalsContact CA-O 3.29Å; F143-Y156 WeakPolarHBondContact CA-O 3.37Å; Q144-Y156 PolarHBondContact N-O 3.21Å; Q144-Y156 PolarHBondContact O-N 3.24Å; L146-Y156 HydrophobicContact CD1-CD1 3.46Å; L146-Y156 VanDerWaalsContact CD1-CD1 3.46Å; L146-Y156 HydrophobicContact CD1-CD2 4.22Å; L146-Y156 HydrophobicContact CD1-CE1 3.71Å; L146-Y156 HydrophobicContact CD1-CE2 4.42Å; L146-Y156 HydrophobicContact CD1-CG 3.79Å; Y156-N170 HydrophobicContact CD1-CB 4.19Å; Y156-N170 VanDerWaalsContact CD1-ND2 3.25Å; Y156-N170 WeakPolarHBondContact CD1-ND2 3.24Å; Y156-N170 HydrophobicContact CE1-CB 4.25Å; Y156-I197 HydrophobicContact CE1-CG2 4.27Å; Y156-I197 HydrophobicContact CE2-CG1 4.34Å; Y156-I197 HydrophobicContact CE2-CG2 4.12Å; Y156-I197 WeakPolarHBondContact OH-CG2 3.26Å; Y156-I197 PolarHBondContact OH-O 3.34Å; Y156-L201 HydrophobicContact CE1-CD1 4.21Å; Y156-L201 HydrophobicContact CE1-CD2 4.2Å; Y156-L201 WeakPolarHBondContact OH-CD1 3.36Å; Y156-L201 VanDerWaalsContact OH-CG 3.29Å; Y156-L201 WeakPolarHBondContact OH-CG 3.04Å
157	L	91.9	Very high	82.8	Confident	0 Å²	0	58.1 Å²	58.1	0%	0	31%	0.314	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-94.2	128.9	173.3	-61.1	-173.1	0	0	0	110	L91 I93 V116 L118 L141 F143 N168 L169 N170	L91-L157 HydrophobicContact CD1-CD1 3.9Å; L91-L157 HydrophobicContact CD2-CD1 3.61Å; L91-L157 HydrophobicContact CG-CD1 4.33Å; I93-L157 HydrophobicContact CD1-CD2 3.94Å; V116-L157 HydrophobicContact CG1-CD2 4.07Å; L118-L157 HydrophobicContact CD2-CB 4.34Å; L118-L157 HydrophobicContact CD2-CD1 3.55Å; L118-L157 HydrophobicContact CD2-CG 3.72Å; L141-L157 HydrophobicContact CD1-CD2 4.16Å; F143-L157 HydrophobicContact CB-CD2 3.63Å; L157-N168 WeakPolarHBondContact O-CA 3.4Å; L157-N168 PolarHBondContact O-OD1 3.42Å; L157-L169 HydrophobicContact CB-CB 4.01Å; L157-L169 HydrophobicContact CB-CD2 4.18Å; L157-L169 HydrophobicContact CD1-CD2 4.13Å; L157-L169 PolarHBondContact O-N 3.05Å; L157-N170 PolarHBondContact N-OD1 3.41Å; L157-N170 VanDerWaalsContact N-OD1 3.15Å
158	L	91.6	Very high	83.1	Confident	21 Å²	21	59.2 Å²	59.2	11%	0.11	32%	0.319	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-118.2	111.7	-179	-72.5	140.2	0	0	0	107.2	K78 W142 Q144 N166 V167	K78-L158 HydrophobicContact CD-CD1 4.18Å; K78-L158 HydrophobicContact CG-CD1 4.45Å; W142-L158 HydrophobicContact CB-CB 3.85Å; W142-L158 HydrophobicContact CB-CD1 4.39Å; W142-L158 PolarHBondContact N-O 3.3Å; W142-L158 WeakPolarHBondContact O-CB 3.34Å; W142-L158 PolarHBondContact O-N 3.36Å; Q144-L158 HydrophobicContact CB-CD1 4.26Å; L158-N166 HydrophobicContact CB-CB 4.26Å; L158-N166 HydrophobicContact CD2-CB 4.16Å; L158-V167 WeakPolarHBondContact CA-O 3.3Å
159	V	90.3	Very high	83.3	Confident	1 Å²	1	55.5 Å²	55.5	1%	0.006	30%	0.303	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-114.4	136.8	-175.3	-175.9	0	0	0	0	108.8	L135 L141 K161 V167 L169	L135-V159 HydrophobicContact CD2-CG1 4.43Å; L135-V159 HydrophobicContact CD2-CG2 3.86Å; L141-V159 HydrophobicContact CB-CG2 4.46Å; V159-K161 HydrophobicContact CG1-CG 4.48Å; V159-V167 PolarHBondContact N-O 2.91Å; V159-V167 PolarHBondContact O-N 3.48Å; V159-L169 HydrophobicContact CG2-CB 4.49Å; V159-L169 HydrophobicContact CG2-CD2 4.21Å
160	N	85.8	Confident	83.7	Confident	78 Å²	78	52.3 Å²	52.3	42%	0.417	29%	0.288	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-81.2	120.5	171	-172	-18.5	0	0	0	108.9	G162 G163	N160-G162 PolarHBondContact OD1-N 2.96Å; N160-G163 PolarHBondContact ND2-O 3.16Å; N160-G163 PolarHBondContact OD1-O 3.23Å
161	K	78.3	Confident	84.3	Confident	72 Å²	72	47 Å²	47	31%	0.313	26%	0.259	S	S	.	.			trans	-110.3	28.9	179.9	-65.9	-160.7	178	-161.8	0	113.1	E134 V159 V167 E172	E134-K161 WeakPolarHBondContact OE1-CE 3.49Å; E134-K161 IonicContact OE1-NZ 3.87Å; E134-K161 PolarHBondContact OE1-NZ 3.41Å; E134-K161 IonicContact OE2-NZ 3.8Å; V159-K161 HydrophobicContact CG1-CG 4.48Å; K161-V167 HydrophobicContact CB-CG2 4.28Å; K161-V167 HydrophobicContact CD-CB 4.49Å; K161-V167 HydrophobicContact CD-CG2 4.36Å; K161-V167 HydrophobicContact CG-CB 4.47Å; K161-V167 HydrophobicContact CG-CG2 4.26Å; K161-E172 WeakPolarHBondContact CE-OE2 3.44Å; K161-E172 IonicContact NZ-OE1 3.79Å; K161-E172 PolarHBondContact NZ-OE1 3.35Å; K161-E172 IonicContact NZ-OE2 2.63Å; K161-E172 PolarHBondContact NZ-OE2 2.94Å
162	G	66.1	Low	84.7	Confident	65 Å²	65	44.5 Å²	44.5	67%	0.67	24%	0.238	S	C	*	.	S	Bend	trans	100.1	130.2	-178.7	0	0	0	0	0	111.7	N160	N160-G162 PolarHBondContact OD1-N 2.96Å
163	G	67.9	Low	85	Confident	55 Å²	55	44.3 Å²	44.3	57%	0.567	24%	0.237	S	C	*	.	S	Bend	trans	89.1	-158.5	-174.6	0	0	0	0	0	114.1	N160	N160-G163 PolarHBondContact ND2-O 3.16Å; N160-G163 PolarHBondContact OD1-O 3.23Å
164	Y	61	Low	85	Confident	226 Å²	226	44.3 Å²	44.3	89%	0.886	24%	0.237	S	C	*	.	S	Bend	trans	-93.7	2.7	-173.8	-60	-75	0	0	0	114.4
165	F	73.1	Confident	85	Confident	172 Å²	172	48.5 Å²	48.5	75%	0.754	25%	0.252	S	S	*	.			trans	-112.6	132.3	-173.9	-60	-72.7	0	0	0	112.7
166	N	82.1	Confident	84.9	Confident	74 Å²	74	52.1 Å²	52.1	40%	0.396	27%	0.268	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-86.7	133.1	171	-66.7	-42.6	0	0	0	110.4	L158	L158-N166 HydrophobicContact CB-CB 4.26Å; L158-N166 HydrophobicContact CD2-CB 4.16Å
167	V	87.6	Confident	84.7	Confident	50 Å²	50	51.8 Å²	51.8	30%	0.303	27%	0.266	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-95.4	133.7	175.9	-177.2	0	0	0	0	109.7	L158 V159 K161 L169 E172	L158-V167 WeakPolarHBondContact CA-O 3.3Å; V159-V167 PolarHBondContact N-O 2.91Å; V159-V167 PolarHBondContact O-N 3.48Å; K161-V167 HydrophobicContact CB-CG2 4.28Å; K161-V167 HydrophobicContact CD-CB 4.49Å; K161-V167 HydrophobicContact CD-CG2 4.36Å; K161-V167 HydrophobicContact CG-CB 4.47Å; K161-V167 HydrophobicContact CG-CG2 4.26Å; V167-L169 PolarHBondContact O-N 3.2Å; V167-E172 HydrophobicContact CG1-CB 4.45Å; V167-E172 WeakPolarHBondContact CG1-OE2 3.46Å
168	N	90.8	Very high	84.6	Confident	23 Å²	23	52.5 Å²	52.5	12%	0.123	27%	0.27	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-77.9	108.3	172.5	-175.3	-5.4	0	0	0	109.7	L157 N170 E171 E172	L157-N168 WeakPolarHBondContact O-CA 3.4Å; L157-N168 PolarHBondContact O-OD1 3.42Å; N168-N170 VanDerWaalsContact C-N 3.28Å; N168-N170 PolarHBondContact O-N 3.14Å; N168-N170 WeakPolarHBondContact OD1-CB 3.34Å; N168-N170 PolarHBondContact OD1-N 3.39Å; N168-E171 HydrophobicContact CB-CB 4.37Å; N168-E171 HydrophobicContact CB-CG 4.39Å; N168-E171 PolarHBondContact ND2-OE1 3.3Å; N168-E171 PolarHBondContact O-N 2.78Å; N168-E172 PolarHBondContact O-N 3.07Å; N168-E172 VanDerWaalsContact O-N 3.15Å
169	L	90.9	Very high	84.4	Confident	1 Å²	1	51.5 Å²	51.5	1%	0.005	27%	0.265	C	S	.	.	H	α-helix	trans	-63.4	-35.7	-175.8	-163.3	63.5	0	0	0	111.8	W130 L131 L135 L157 V159 V167 E171 E172 I173	W130-L169 HydrophobicContact CH2-CD1 3.86Å; W130-L169 HydrophobicContact CZ3-CD1 3.93Å; L131-L169 HydrophobicContact CD1-CD2 3.46Å; L131-L169 VanDerWaalsContact CD1-CD2 3.46Å; L131-L169 HydrophobicContact CD1-CG 4.2Å; L135-L169 HydrophobicContact CD1-CD2 4.08Å; L135-L169 HydrophobicContact CD2-CD2 4.17Å; L135-L169 HydrophobicContact CG-CD2 4.36Å; L157-L169 HydrophobicContact CB-CB 4.01Å; L157-L169 HydrophobicContact CB-CD2 4.18Å; L157-L169 HydrophobicContact CD1-CD2 4.13Å; L157-L169 PolarHBondContact O-N 3.05Å; V159-L169 HydrophobicContact CG2-CB 4.49Å; V159-L169 HydrophobicContact CG2-CD2 4.21Å; V167-L169 PolarHBondContact O-N 3.2Å; L169-E171 VanDerWaalsContact C-N 3.33Å; L169-E171 PolarHBondContact O-N 2.79Å; L169-E172 PolarHBondContact O-N 3.04Å; L169-I173 HydrophobicContact CG-CD1 3.96Å; L169-I173 HydrophobicContact CG-CG1 4.47Å; L169-I173 WeakPolarHBondContact O-CD1 3.41Å; L169-I173 VanDerWaalsContact O-CG1 3.24Å; L169-I173 WeakPolarHBondContact O-CG1 3.42Å; L169-I173 PolarHBondContact O-N 3.01Å
170	N	91.7	Very high	84.2	Confident	0 Å²	0	55.6 Å²	55.6	0%	0	28%	0.283	C	S	.	.	H	α-helix	trans	-60.1	-43.8	178.4	-60.6	43.7	0	0	0	111.3	L118 A119 V121 C155 Y156 L157 N168 L174 L201	L118-N170 WeakPolarHBondContact CD2-OD1 3.48Å; A119-N170 PolarHBondContact N-ND2 2.8Å; A119-N170 PolarHBondContact O-ND2 2.75Å; A119-N170 VanDerWaalsContact O-ND2 3.07Å; V121-N170 HydrophobicContact CG2-CB 3.91Å; C155-N170 PolarHBondContact O-ND2 2.88Å; Y156-N170 HydrophobicContact CD1-CB 4.19Å; Y156-N170 VanDerWaalsContact CD1-ND2 3.25Å; Y156-N170 WeakPolarHBondContact CD1-ND2 3.24Å; Y156-N170 HydrophobicContact CE1-CB 4.25Å; L157-N170 PolarHBondContact N-OD1 3.41Å; L157-N170 VanDerWaalsContact N-OD1 3.15Å; N168-N170 VanDerWaalsContact C-N 3.28Å; N168-N170 PolarHBondContact O-N 3.14Å; N168-N170 WeakPolarHBondContact OD1-CB 3.34Å; N168-N170 PolarHBondContact OD1-N 3.39Å; N170-L174 WeakPolarHBondContact O-CG 3.27Å; N170-L174 PolarHBondContact O-N 3.17Å; N170-L201 HydrophobicContact CB-CD2 4.01Å
171	E	91.2	Very high	84.1	Confident	35 Å²	35	52.1 Å²	52.1	16%	0.164	26%	0.264	C	S	.	.	H	α-helix	trans	-71.1	-33.8	177.9	-71.6	179.3	-148.1	0	0	111.9	N168 L169 R175 L201 A204	N168-E171 HydrophobicContact CB-CB 4.37Å; N168-E171 HydrophobicContact CB-CG 4.39Å; N168-E171 PolarHBondContact ND2-OE1 3.3Å; N168-E171 PolarHBondContact O-N 2.78Å; L169-E171 VanDerWaalsContact C-N 3.33Å; L169-E171 PolarHBondContact O-N 2.79Å; E171-R175 VanDerWaalsContact O-CB 3.31Å; E171-R175 WeakPolarHBondContact O-CB 3.4Å; E171-R175 PolarHBondContact O-N 3.16Å; E171-L201 HydrophobicContact CG-CD2 4.12Å; E171-A204 WeakPolarHBondContact O-CB 3.42Å
172	E	91.5	Very high	84.2	Confident	29 Å²	29	51 Å²	51	14%	0.136	26%	0.264	C	S	.	.	H	α-helix	trans	-70.1	-44.1	-179.6	-170.2	177.7	173.2	0	0	112.5	W130 K161 V167 N168 L169 L174 R175 K176	W130-E172 HydrophobicContact CH2-CG 4.26Å; K161-E172 WeakPolarHBondContact CE-OE2 3.44Å; K161-E172 IonicContact NZ-OE1 3.79Å; K161-E172 PolarHBondContact NZ-OE1 3.35Å; K161-E172 IonicContact NZ-OE2 2.63Å; K161-E172 PolarHBondContact NZ-OE2 2.94Å; V167-E172 HydrophobicContact CG1-CB 4.45Å; V167-E172 WeakPolarHBondContact CG1-OE2 3.46Å; N168-E172 PolarHBondContact O-N 3.07Å; N168-E172 VanDerWaalsContact O-N 3.15Å; L169-E172 PolarHBondContact O-N 3.04Å; E172-L174 VanDerWaalsContact C-N 3.28Å; E172-L174 PolarHBondContact O-N 3.45Å; E172-R175 PolarHBondContact O-N 3.08Å; E172-R175 VanDerWaalsContact O-N 3.16Å; E172-K176 HydrophobicContact CG-CD 4.36Å; E172-K176 WeakPolarHBondContact O-CG 3.46Å; E172-K176 PolarHBondContact O-N 3.33Å; E172-K176 WeakPolarHBondContact OE1-CE 3.01Å
173	I	91.8	Very high	84.5	Confident	0 Å²	0	49.2 Å²	49.2	0%	0	24%	0.238	C	C	.	.	H	α-helix	trans	-54.4	-49.1	174.2	-71.4	159.4	0	0	0	109.9	L118 V121 L123 W130 L131 L169 R175 K176 G177 L178	L118-I173 HydrophobicContact CD1-CD1 3.43Å; L118-I173 VanDerWaalsContact CD1-CD1 3.43Å; V121-I173 HydrophobicContact CG1-CG2 3.91Å; L123-I173 HydrophobicContact CD2-CD1 4.01Å; L123-I173 HydrophobicContact CD2-CG1 4.45Å; L123-I173 HydrophobicContact CD2-CG2 3.61Å; W130-I173 HydrophobicContact CE3-CG1 4.14Å; W130-I173 HydrophobicContact CZ3-CD1 4.44Å; W130-I173 HydrophobicContact CZ3-CG1 3.59Å; L131-I173 HydrophobicContact CD1-CD1 4.39Å; L169-I173 HydrophobicContact CG-CD1 3.96Å; L169-I173 HydrophobicContact CG-CG1 4.47Å; L169-I173 WeakPolarHBondContact O-CD1 3.41Å; L169-I173 VanDerWaalsContact O-CG1 3.24Å; L169-I173 WeakPolarHBondContact O-CG1 3.42Å; L169-I173 PolarHBondContact O-N 3.01Å; I173-R175 PolarHBondContact O-N 3.42Å; I173-K176 PolarHBondContact O-N 2.87Å; I173-G177 PolarHBondContact O-N 2.83Å; I173-L178 HydrophobicContact CG2-CB 3.92Å; I173-L178 WeakPolarHBondContact O-CB 3.27Å; I173-L178 PolarHBondContact O-N 3.41Å
174	L	90.6	Very high	84.5	Confident	0 Å²	0	46.6 Å²	46.6	0%	0	21%	0.211	C	C	.	.	H	α-helix	trans	-65.7	-38.4	179.5	-69.2	173.5	0	0	0	112.4	V121 N170 E172 K176 G177 G179 T181 L201 A204 A208	V121-L174 HydrophobicContact CG1-CD2 4.06Å; V121-L174 HydrophobicContact CG1-CG 4.31Å; V121-L174 HydrophobicContact CG2-CD1 3.88Å; V121-L174 HydrophobicContact CG2-CD2 4.3Å; V121-L174 HydrophobicContact CG2-CG 3.97Å; N170-L174 WeakPolarHBondContact O-CG 3.27Å; N170-L174 PolarHBondContact O-N 3.17Å; E172-L174 VanDerWaalsContact C-N 3.28Å; E172-L174 PolarHBondContact O-N 3.45Å; L174-K176 VanDerWaalsContact C-N 3.28Å; L174-K176 PolarHBondContact O-N 3.22Å; L174-G177 PolarHBondContact O-N 3.36Å; L174-G177 VanDerWaalsContact O-N 3.07Å; L174-G179 WeakPolarHBondContact CD2-O 3.44Å; L174-T181 HydrophobicContact CD1-CG2 3.53Å; L174-T181 HydrophobicContact CD2-CG2 3.73Å; L174-T181 HydrophobicContact CG-CG2 4.26Å; L174-L201 HydrophobicContact CD1-CB 3.65Å; L174-L201 HydrophobicContact CD1-CD2 3.62Å; L174-L201 HydrophobicContact CD1-CG 4.19Å; L174-L201 WeakPolarHBondContact CD1-O 3.47Å; L174-A204 HydrophobicContact CB-CB 3.76Å; L174-A204 HydrophobicContact CD1-CB 4.47Å; L174-A208 WeakPolarHBondContact O-CB 3.23Å
175	R	89.3	Confident	84.8	Confident	110 Å²	110	41.1 Å²	41.1	42%	0.415	19%	0.192	S	C	.	.	H	α-helix	trans	-66.6	-30.6	179.5	-170.1	-179.8	-60.4	149.4	6.4	112.7	E171 E172 I173 G177 A204 T207 A208	E171-R175 VanDerWaalsContact O-CB 3.31Å; E171-R175 WeakPolarHBondContact O-CB 3.4Å; E171-R175 PolarHBondContact O-N 3.16Å; E172-R175 PolarHBondContact O-N 3.08Å; E172-R175 VanDerWaalsContact O-N 3.16Å; I173-R175 PolarHBondContact O-N 3.42Å; R175-G177 VanDerWaalsContact C-N 3.27Å; R175-A204 HydrophobicContact CB-CB 4.43Å; R175-T207 HydrophobicContact CG-CG2 4.38Å; R175-A208 VanDerWaalsContact O-CB 3.29Å; R175-A208 WeakPolarHBondContact O-CB 3.27Å
176	K	88.4	Confident	84.3	Confident	76 Å²	76	35.4 Å²	35.4	33%	0.33	18%	0.181	S	C	.	.	T	Hydrogen-bonded Turn	trans	-83.4	-1.8	174.2	-69	177.6	177	-70.3	0	113.1	W130 E172 I173 L174 L178 E213 G214	W130-K176 HydrophobicContact CH2-CD 4.39Å; W130-K176 HydrophobicContact CZ2-CD 3.76Å; E172-K176 HydrophobicContact CG-CD 4.36Å; E172-K176 WeakPolarHBondContact O-CG 3.46Å; E172-K176 PolarHBondContact O-N 3.33Å; E172-K176 WeakPolarHBondContact OE1-CE 3.01Å; I173-K176 PolarHBondContact O-N 2.87Å; L174-K176 VanDerWaalsContact C-N 3.28Å; L174-K176 PolarHBondContact O-N 3.22Å; K176-L178 VanDerWaalsContact C-N 3.28Å; K176-L178 HydrophobicContact CB-CD1 3.77Å; K176-L178 HydrophobicContact CB-CG 3.76Å; K176-L178 HydrophobicContact CD-CD1 3.98Å; K176-L178 PolarHBondContact O-N 2.9Å; K176-E213 CarbonylContact O-C 3.54Å; K176-G214 WeakPolarHBondContact O-CA 3.39Å; K176-G214 PolarHBondContact O-N 3.37Å
177	G	86.9	Confident	83.4	Confident	0 Å²	0	32.5 Å²	32.5	0%	0	17%	0.166	C	C	.	.	T	Hydrogen-bonded Turn	trans	66.3	28.9	-176.2	0	0	0	0	0	113.4	I173 L174 R175 G179 I215	I173-G177 PolarHBondContact O-N 2.83Å; L174-G177 PolarHBondContact O-N 3.36Å; L174-G177 VanDerWaalsContact O-N 3.07Å; R175-G177 VanDerWaalsContact C-N 3.27Å; G177-G179 VanDerWaalsContact C-N 3.3Å; G177-I215 WeakPolarHBondContact O-CG1 3.47Å; G177-I215 WeakPolarHBondContact O-CG2 3.34Å; G177-I215 PolarHBondContact O-N 3Å
178	L	89.5	Confident	82	Confident	15 Å²	15	35.5 Å²	35.5	8%	0.079	18%	0.18	C	C	.	.	S	Bend	trans	-91.7	9.2	-179.1	-63.8	174.4	0	0	0	113	T124 I126 W130 I173 K176	T124-L178 PolarHBondContact N-O 3Å; T124-L178 PolarHBondContact OG1-O 2.96Å; T124-L178 VanDerWaalsContact OG1-O 3.14Å; I126-L178 HydrophobicContact CG2-CD2 3.92Å; W130-L178 HydrophobicContact CB-CD1 3.76Å; W130-L178 HydrophobicContact CD2-CD1 3.35Å; W130-L178 HydrophobicContact CE3-CD1 3.64Å; W130-L178 HydrophobicContact CG-CD1 3.39Å; W130-L178 HydrophobicContact CZ3-CD1 4.44Å; I173-L178 HydrophobicContact CG2-CB 3.92Å; I173-L178 WeakPolarHBondContact O-CB 3.27Å; I173-L178 PolarHBondContact O-N 3.41Å; K176-L178 VanDerWaalsContact C-N 3.28Å; K176-L178 HydrophobicContact CB-CD1 3.77Å; K176-L178 HydrophobicContact CB-CG 3.76Å; K176-L178 HydrophobicContact CD-CD1 3.98Å; K176-L178 PolarHBondContact O-N 2.9Å
179	G	87.5	Confident	80.4	Confident	0 Å²	0	38.9 Å²	38.9	0%	0	19%	0.192	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-172.8	168.4	-178.7	0	0	0	0	0	112	E122 L174 G177	E122-G179 CarbonylContact O-C 3.6Å; E122-G179 WeakPolarHBondContact O-CA 3.47Å; L174-G179 WeakPolarHBondContact CD2-O 3.44Å; G177-G179 VanDerWaalsContact C-N 3.3Å
180	K	85.9	Confident	78.6	Confident	87 Å²	87	44.2 Å²	44.2	38%	0.378	22%	0.22	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-110.3	148.5	178.9	-66.6	175.9	-177.6	170.5	0	109.9	E122 I215	E122-K180 PolarHBondContact N-O 3.32Å; E122-K180 PolarHBondContact O-N 2.91Å; K180-I215 HydrophobicContact CG-CD1 3.83Å
181	T	83.4	Confident	77.3	Confident	5 Å²	5	46.3 Å²	46.3	3%	0.031	24%	0.235	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-78.3	130.3	174.8	63.6	0	0	0	0	110.8	G120 L174 L201 E205 K280	G120-T181 WeakPolarHBondContact O-CA 3.45Å; L174-T181 HydrophobicContact CD1-CG2 3.53Å; L174-T181 HydrophobicContact CD2-CG2 3.73Å; L174-T181 HydrophobicContact CG-CG2 4.26Å; T181-L201 HydrophobicContact CG2-CB 4.03Å; T181-E205 WeakPolarHBondContact CB-OE2 3.29Å; T181-E205 HydrophobicContact CG2-CB 3.75Å; T181-E205 HydrophobicContact CG2-CG 4.27Å; T181-E205 VanDerWaalsContact CG2-OE2 3.31Å; T181-E205 WeakPolarHBondContact CG2-OE2 3.4Å; T181-E205 PolarHBondContact N-OE1 2.97Å; T181-E205 VanDerWaalsContact OG1-CD 3.31Å; T181-E205 PolarHBondContact OG1-OE1 3.04Å; T181-E205 PolarHBondContact OG1-OE2 2.95Å; T181-K280 PolarHBondContact O-NZ 3.23Å; T181-K280 WeakPolarHBondContact OG1-CE 3.33Å; T181-K280 PolarHBondContact OG1-NZ 3.29Å; T181-K280 VanDerWaalsContact OG1-NZ 3.09Å
182	V	80.4	Confident	76.2	Confident	49 Å²	49	53.7 Å²	53.7	30%	0.297	27%	0.267	S	S	.	.			trans	-120.1	158	174.7	-179.4	0	0	0	0	108.8	G120 E122 V184	G120-V182 CarbonylContact C-O 3.59Å; G120-V182 WeakPolarHBondContact CA-O 3.38Å; G120-V182 PolarHBondContact O-N 3.44Å; E122-V182 HydrophobicContact CB-CG2 3.54Å; E122-V182 WeakPolarHBondContact OE2-CG2 3.28Å; V182-V184 PolarHBondContact O-N 3.17Å
183	L	72.6	Confident	75	Confident	27 Å²	27	55.6 Å²	55.6	14%	0.141	28%	0.283	C	S	.	.			trans	-61.7	134.1	170.5	-69.4	172.9	0	0	0	109.7	K185 F275 S276 L279	L183-K185 PolarHBondContact O-N 3.17Å; L183-K185 VanDerWaalsContact O-N 3.15Å; L183-F275 HydrophobicContact CD1-CB 3.67Å; L183-F275 HydrophobicContact CD2-CB 4.2Å; L183-F275 HydrophobicContact CD2-CD1 4.33Å; L183-S276 VanDerWaalsContact CG-CB 3.48Å; L183-L279 HydrophobicContact CD2-CD1 4.39Å
184	V	69.4	Low	73.9	Confident	0 Å²	0	55.7 Å²	55.7	0%	0	28%	0.284	C	S	.	.			trans	-69.2	114.9	171.9	-174.6	0	0	0	0	107.4	A119 V182 L187 Y189	A119-V184 HydrophobicContact CB-CG1 3.88Å; A119-V184 HydrophobicContact CB-CG2 4.25Å; V182-V184 PolarHBondContact O-N 3.17Å; V184-L187 HydrophobicContact CB-CD1 3.72Å; V184-L187 HydrophobicContact CB-CG 4.39Å; V184-L187 HydrophobicContact CG1-CB 4.39Å; V184-L187 HydrophobicContact CG1-CD1 3.41Å; V184-L187 VanDerWaalsContact CG1-CD1 3.41Å; V184-L187 HydrophobicContact CG1-CG 3.82Å; V184-L187 HydrophobicContact CG2-CD1 4.15Å; V184-Y189 PolarHBondContact O-OH 3.49Å
185	K	66.9	Low	72.9	Confident	111 Å²	111	58.1 Å²	58.1	48%	0.483	29%	0.293	S	S	.	.	T	Hydrogen-bonded Turn	trans	-72.5	142.5	174.4	-62	-175.3	179	-173.8	0	109.7	E149 F154 L183 L187	E149-K185 WeakPolarHBondContact OE2-CB 3.46Å; E149-K185 WeakPolarHBondContact OE2-CD 3.45Å; F154-K185 HydrophobicContact CD2-CB 4.41Å; F154-K185 WeakPolarHBondContact CD2-O 3.4Å; F154-K185 HydrophobicContact CE2-CB 3.75Å; F154-K185 HydrophobicContact CZ-CB 3.96Å; F154-K185 HydrophobicContact CZ-CD 4.38Å; L183-K185 PolarHBondContact O-N 3.17Å; L183-K185 VanDerWaalsContact O-N 3.15Å; K185-L187 PolarHBondContact O-N 2.89Å
186	G	61.7	Low	72.3	Confident	51 Å²	51	59 Å²	59	53%	0.526	30%	0.3	S	S	.	.	T	Hydrogen-bonded Turn	trans	78.5	8.3	176.2	0	0	0	0	0	116.5
187	L	62.8	Low	71.8	Confident	13 Å²	13	56.3 Å²	56.3	7%	0.068	29%	0.289	C	S	.	.	S	Bend	trans	-93.2	138.8	168.3	-85.8	174.9	0	0	0	110.5	L146 V184 K185 Y189	L146-L187 HydrophobicContact CB-CD1 4.2Å; L146-L187 HydrophobicContact CB-CD2 4.32Å; L146-L187 HydrophobicContact CB-CG 4.36Å; L146-L187 WeakPolarHBondContact O-CD2 3.35Å; L146-L187 WeakPolarHBondContact O-CG 3.31Å; V184-L187 HydrophobicContact CB-CD1 3.72Å; V184-L187 HydrophobicContact CB-CG 4.39Å; V184-L187 HydrophobicContact CG1-CB 4.39Å; V184-L187 HydrophobicContact CG1-CD1 3.41Å; V184-L187 VanDerWaalsContact CG1-CD1 3.41Å; V184-L187 HydrophobicContact CG1-CG 3.82Å; V184-L187 HydrophobicContact CG2-CD1 4.15Å; K185-L187 PolarHBondContact O-N 2.89Å; L187-Y189 WeakPolarHBondContact O-CD2 3.46Å; L187-Y189 PolarHBondContact O-N 3.23Å
188	N	58.7	Low	71.4	Confident	114 Å²	114	56.3 Å²	56.3	61%	0.61	29%	0.289	S	S	*	.			trans	-66.9	108.8	168.9	-172.1	-20.8	0	0	0	109.4	D190 S191	N188-D190 PolarHBondContact O-N 3.31Å; N188-D190 PolarHBondContact OD1-N 3.24Å; N188-S191 PolarHBondContact O-N 3.01Å; N188-S191 PolarHBondContact O-OG 3.4Å
189	Y	56.6	Low	70.8	Confident	93 Å²	93	61 Å²	61	37%	0.365	31%	0.305	S	S	.	.	T	Hydrogen-bonded Turn	trans	-61.5	-23.1	-171.3	-65.5	-74.2	0	0	0	113.7	V184 L187 S191 H194	V184-Y189 PolarHBondContact O-OH 3.49Å; L187-Y189 WeakPolarHBondContact O-CD2 3.46Å; L187-Y189 PolarHBondContact O-N 3.23Å; Y189-S191 PolarHBondContact O-N 3.37Å; Y189-H194 AromaticContact CD1-CE1 3.51Å; Y189-H194 AromaticContact CD1-NE2 3.81Å; Y189-H194 PolarHBondContact O-ND1 3.41Å
190	D	53.3	Low	70.7	Confident	113 Å²	113	66.8 Å²	66.8	60%	0.604	33%	0.327	S	S	*	.	T	Hydrogen-bonded Turn	trans	-87.5	-0.7	-172.6	-66.2	-33.1	0	0	0	113.7	N188 K269	N188-D190 PolarHBondContact O-N 3.31Å; N188-D190 PolarHBondContact OD1-N 3.24Å; D190-K269 VanDerWaalsContact CG-NZ 3.3Å; D190-K269 IonicContact OD1-NZ 2.74Å; D190-K269 PolarHBondContact OD1-NZ 3.27Å; D190-K269 IonicContact OD2-NZ 2.8Å; D190-K269 PolarHBondContact OD2-NZ 2.92Å
191	S	64.6	Low	70.7	Confident	45 Å²	45	62.6 Å²	62.6	32%	0.315	31%	0.309	S	S	.	.			trans	-82.4	133.8	178.1	69.6	0	0	0	0	113.2	N188 Y189 S193 H194 W195	N188-S191 PolarHBondContact O-N 3.01Å; N188-S191 PolarHBondContact O-OG 3.4Å; Y189-S191 PolarHBondContact O-N 3.37Å; S191-S193 PolarHBondContact O-N 3.11Å; S191-H194 WeakPolarHBondContact O-CB 3.01Å; S191-H194 PolarHBondContact O-N 2.94Å; S191-H194 VanDerWaalsContact OG-CB 3.27Å; S191-H194 WeakPolarHBondContact OG-CB 3.49Å; S191-H194 PolarHBondContact OG-N 2.93Å; S191-W195 PolarHBondContact O-N 3.35Å
192	K	67.7	Low	70.6	Confident	189 Å²	189	62.5 Å²	62.5	82%	0.822	31%	0.308	S	S	*	.	H	α-helix	trans	-52	-31.6	172.4	-69.9	-177	-178.6	176.2	0	112.5	W195 K196	K192-W195 WeakPolarHBondContact O-CB 3.34Å; K192-W195 PolarHBondContact O-N 3.28Å; K192-K196 PolarHBondContact O-N 3.19Å
193	S	67.4	Low	70.8	Confident	70 Å²	70	65.4 Å²	65.4	49%	0.49	32%	0.317	S	S	.	.	H	α-helix	trans	-71.8	-35.3	178	-60.1	0	0	0	0	113.2	K76 S191 W195 K196 I197	K76-S193 VanDerWaalsContact NZ-CB 3.33Å; S191-S193 PolarHBondContact O-N 3.11Å; S193-W195 VanDerWaalsContact C-N 3.33Å; S193-K196 PolarHBondContact O-N 2.91Å; S193-I197 WeakPolarHBondContact O-CD1 3.36Å; S193-I197 VanDerWaalsContact O-CG1 3.27Å; S193-I197 WeakPolarHBondContact O-CG1 3.29Å; S193-I197 PolarHBondContact O-N 3.18Å
194	H	68	Low	71.5	Confident	1 Å²	1	64.3 Å²	64.3	1%	0.005	31%	0.312	C	S	.	.	H	α-helix	trans	-62.2	-43.4	171.6	169.4	-101.5	0	0	0	110.6	Y189 S191 K196 I197 H198	Y189-H194 AromaticContact CD1-CE1 3.51Å; Y189-H194 AromaticContact CD1-NE2 3.81Å; Y189-H194 PolarHBondContact O-ND1 3.41Å; S191-H194 WeakPolarHBondContact O-CB 3.01Å; S191-H194 PolarHBondContact O-N 2.94Å; S191-H194 VanDerWaalsContact OG-CB 3.27Å; S191-H194 WeakPolarHBondContact OG-CB 3.49Å; S191-H194 PolarHBondContact OG-N 2.93Å; H194-K196 PolarHBondContact O-N 3Å; H194-I197 WeakPolarHBondContact O-CB 3.48Å; H194-I197 PolarHBondContact O-N 2.9Å; H194-H198 PolarHBondContact O-N 3.09Å
195	W	70	Confident	72.2	Confident	51 Å²	51	64.3 Å²	64.3	19%	0.193	31%	0.312	C	S	.	.	H	α-helix	trans	-58	-47	176.6	-176.1	-107.9	0	0	0	113	S191 K192 S193 I197 H198 R199 L279 R282	S191-W195 PolarHBondContact O-N 3.35Å; K192-W195 WeakPolarHBondContact O-CB 3.34Å; K192-W195 PolarHBondContact O-N 3.28Å; S193-W195 VanDerWaalsContact C-N 3.33Å; W195-I197 VanDerWaalsContact C-N 3.29Å; W195-I197 PolarHBondContact O-N 3.42Å; W195-H198 PolarHBondContact O-N 3.49Å; W195-R199 VanDerWaalsContact O-CB 3.29Å; W195-R199 WeakPolarHBondContact O-CB 3.46Å; W195-R199 PolarHBondContact O-N 2.83Å; W195-L279 HydrophobicContact CE3-CD1 4.33Å; W195-L279 HydrophobicContact CE3-CD2 4.35Å; W195-L279 HydrophobicContact CH2-CB 3.8Å; W195-L279 HydrophobicContact CH2-CD1 4.3Å; W195-L279 HydrophobicContact CH2-CD2 3.59Å; W195-L279 HydrophobicContact CH2-CG 3.98Å; W195-L279 HydrophobicContact CZ3-CB 3.9Å; W195-L279 HydrophobicContact CZ3-CD1 3.52Å; W195-L279 HydrophobicContact CZ3-CD2 3.19Å; W195-L279 HydrophobicContact CZ3-CG 3.59Å; W195-R282 VanDerWaalsContact CE2-NH2 3.27Å; W195-R282 VanDerWaalsContact CH2-NH1 3.35Å; W195-R282 VanDerWaalsContact CZ2-NE 3.34Å
196	K	76.9	Confident	72.8	Confident	129 Å²	129	60.2 Å²	60.2	56%	0.561	30%	0.295	S	S	*	.	H	α-helix	trans	-61.5	-38.6	-180	-168.4	175.3	-175.4	176	0	112.1	K192 S193 H194 R200	K192-K196 PolarHBondContact O-N 3.19Å; S193-K196 PolarHBondContact O-N 2.91Å; H194-K196 PolarHBondContact O-N 3Å; K196-R200 WeakPolarHBondContact O-CG 3.41Å; K196-R200 PolarHBondContact O-N 3.4Å
197	I	78.2	Confident	73.8	Confident	19 Å²	19	59.5 Å²	59.5	10%	0.097	28%	0.28	C	S	.	.	H	α-helix	trans	-64.2	-55.7	177.4	-75.5	170.6	0	0	0	109.9	K76 L146 Y156 S193 H194 W195 R199 R200 L201	K76-I197 HydrophobicContact CD-CD1 4.34Å; L146-I197 HydrophobicContact CD2-CD1 3.83Å; Y156-I197 HydrophobicContact CE1-CG2 4.27Å; Y156-I197 HydrophobicContact CE2-CG1 4.34Å; Y156-I197 HydrophobicContact CE2-CG2 4.12Å; Y156-I197 WeakPolarHBondContact OH-CG2 3.26Å; Y156-I197 PolarHBondContact OH-O 3.34Å; S193-I197 WeakPolarHBondContact O-CD1 3.36Å; S193-I197 VanDerWaalsContact O-CG1 3.27Å; S193-I197 WeakPolarHBondContact O-CG1 3.29Å; S193-I197 PolarHBondContact O-N 3.18Å; H194-I197 WeakPolarHBondContact O-CB 3.48Å; H194-I197 PolarHBondContact O-N 2.9Å; W195-I197 VanDerWaalsContact C-N 3.29Å; W195-I197 PolarHBondContact O-N 3.42Å; I197-R199 VanDerWaalsContact C-N 3.31Å; I197-R199 PolarHBondContact O-N 3Å; I197-R200 PolarHBondContact O-N 3.25Å; I197-R200 VanDerWaalsContact O-N 3.11Å; I197-L201 PolarHBondContact O-N 3.17Å
198	H	77.1	Confident	74.8	Confident	1 Å²	1	58.9 Å²	58.9	1%	0.005	28%	0.277	C	S	.	.	H	α-helix	trans	-62	-40.1	-177.6	-170.1	76.4	0	0	0	112.1	H194 W195 R200 L201 L202 L279	H194-H198 PolarHBondContact O-N 3.09Å; W195-H198 PolarHBondContact O-N 3.49Å; H198-R200 VanDerWaalsContact C-N 3.28Å; H198-R200 PolarHBondContact O-N 3.27Å; H198-L201 PolarHBondContact O-N 3.02Å; H198-L202 WeakPolarHBondContact O-CB 3.11Å; H198-L202 PolarHBondContact O-N 3.24Å; H198-L279 WeakPolarHBondContact CD2-CD1 3.16Å
199	R	78.6	Confident	75.8	Confident	112 Å²	112	54.1 Å²	54.1	42%	0.423	25%	0.252	S	S	.	.	H	α-helix	trans	-58.4	-37.7	175.8	-171.5	176.1	-172.3	-176.7	3.9	112.9	W195 I197 K203 E283	W195-R199 VanDerWaalsContact O-CB 3.29Å; W195-R199 WeakPolarHBondContact O-CB 3.46Å; W195-R199 PolarHBondContact O-N 2.83Å; I197-R199 VanDerWaalsContact C-N 3.31Å; I197-R199 PolarHBondContact O-N 3Å; R199-K203 VanDerWaalsContact O-CB 3.28Å; R199-K203 WeakPolarHBondContact O-CB 3.46Å; R199-K203 PolarHBondContact O-N 3.15Å; R199-E283 IonicContact CZ-OE1 3.56Å; R199-E283 IonicContact CZ-OE2 3.98Å; R199-E283 VanDerWaalsContact NE-CD 3.29Å; R199-E283 IonicContact NE-OE1 2.72Å; R199-E283 PolarHBondContact NE-OE1 2.81Å; R199-E283 IonicContact NE-OE2 2.96Å; R199-E283 PolarHBondContact NE-OE2 2.9Å; R199-E283 IonicContact NH2-OE1 2.79Å; R199-E283 PolarHBondContact NH2-OE1 3.42Å; R199-E283 VanDerWaalsContact NH2-OE1 3.17Å; R199-E283 IonicContact NH2-OE2 3.37Å
200	R	84.8	Confident	76.6	Confident	122 Å²	122	58.4 Å²	58.4	46%	0.46	27%	0.272	S	S	.	.	H	α-helix	trans	-68.7	-44.7	178.2	-74.4	176.5	-179	-175.4	-3.8	112.1	K196 I197 H198 L202 K203 A204	K196-R200 WeakPolarHBondContact O-CG 3.41Å; K196-R200 PolarHBondContact O-N 3.4Å; I197-R200 PolarHBondContact O-N 3.25Å; I197-R200 VanDerWaalsContact O-N 3.11Å; H198-R200 VanDerWaalsContact C-N 3.28Å; H198-R200 PolarHBondContact O-N 3.27Å; R200-L202 VanDerWaalsContact C-N 3.35Å; R200-K203 WeakPolarHBondContact O-CB 3.12Å; R200-K203 PolarHBondContact O-N 3.22Å; R200-A204 PolarHBondContact O-N 3.17Å
201	L	85.3	Confident	77.8	Confident	0 Å²	0	59 Å²	59	0%	0	27%	0.269	C	S	.	.	H	α-helix	trans	-60.5	-47.6	176.3	-64	176	0	0	0	110.6	V121 Y156 N170 E171 L174 T181 I197 H198 K203 A204 E205	V121-L201 HydrophobicContact CG2-CD2 4.31Å; Y156-L201 HydrophobicContact CE1-CD1 4.21Å; Y156-L201 HydrophobicContact CE1-CD2 4.2Å; Y156-L201 WeakPolarHBondContact OH-CD1 3.36Å; Y156-L201 VanDerWaalsContact OH-CG 3.29Å; Y156-L201 WeakPolarHBondContact OH-CG 3.04Å; N170-L201 HydrophobicContact CB-CD2 4.01Å; E171-L201 HydrophobicContact CG-CD2 4.12Å; L174-L201 HydrophobicContact CD1-CB 3.65Å; L174-L201 HydrophobicContact CD1-CD2 3.62Å; L174-L201 HydrophobicContact CD1-CG 4.19Å; L174-L201 WeakPolarHBondContact CD1-O 3.47Å; T181-L201 HydrophobicContact CG2-CB 4.03Å; I197-L201 PolarHBondContact O-N 3.17Å; H198-L201 PolarHBondContact O-N 3.02Å; L201-K203 VanDerWaalsContact C-N 3.33Å; L201-K203 PolarHBondContact O-N 3.02Å; L201-A204 WeakPolarHBondContact O-CA 3.44Å; L201-A204 WeakPolarHBondContact O-CB 3.31Å; L201-A204 PolarHBondContact O-N 3.47Å; L201-E205 PolarHBondContact O-N 3.33Å
202	L	82.1	Confident	78.4	Confident	2 Å²	2	57.6 Å²	57.6	1%	0.01	26%	0.262	C	S	.	.	H	α-helix	trans	-61.7	-41	177.2	-179.7	55.1	0	0	0	112.6	H198 R200 A204 E205 L206 L279 K280 E283	H198-L202 WeakPolarHBondContact O-CB 3.11Å; H198-L202 PolarHBondContact O-N 3.24Å; R200-L202 VanDerWaalsContact C-N 3.35Å; L202-A204 VanDerWaalsContact C-N 3.25Å; L202-A204 PolarHBondContact O-N 2.82Å; L202-E205 PolarHBondContact O-N 2.83Å; L202-L206 HydrophobicContact CD1-CD1 4.39Å; L202-L206 HydrophobicContact CD1-CG 4.21Å; L202-L206 HydrophobicContact CG-CD1 4.27Å; L202-L206 WeakPolarHBondContact O-CB 3.35Å; L202-L206 WeakPolarHBondContact O-CG 3.13Å; L202-L206 PolarHBondContact O-N 2.77Å; L202-L279 WeakPolarHBondContact CD2-O 3.47Å; L202-K280 HydrophobicContact CD1-CB 4.21Å; L202-K280 HydrophobicContact CD1-CG 3.68Å; L202-K280 HydrophobicContact CD2-CG 4.36Å; L202-E283 HydrophobicContact CD2-CB 3.41Å; L202-E283 VanDerWaalsContact CD2-CB 3.41Å; L202-E283 HydrophobicContact CD2-CG 4.07Å; L202-E283 HydrophobicContact CG-CB 4.11Å; L202-E283 HydrophobicContact CG-CG 4.34Å
203	K	83.5	Confident	79	Confident	110 Å²	110	51.7 Å²	51.7	48%	0.478	24%	0.238	S	C	.	.	H	α-helix	trans	-58.9	-39.1	173.4	-178.1	178.7	177.5	-175.8	0	111.4	R199 R200 L201 T207	R199-K203 VanDerWaalsContact O-CB 3.28Å; R199-K203 WeakPolarHBondContact O-CB 3.46Å; R199-K203 PolarHBondContact O-N 3.15Å; R200-K203 WeakPolarHBondContact O-CB 3.12Å; R200-K203 PolarHBondContact O-N 3.22Å; L201-K203 VanDerWaalsContact C-N 3.33Å; L201-K203 PolarHBondContact O-N 3.02Å; K203-T207 WeakPolarHBondContact O-CB 3.38Å; K203-T207 PolarHBondContact O-N 2.81Å; K203-T207 PolarHBondContact O-OG1 3.36Å
204	A	87.3	Confident	79.7	Confident	4 Å²	4	49.6 Å²	49.6	3%	0.033	23%	0.227	C	C	.	.	H	α-helix	trans	-66.7	-45.4	177.5	0	0	0	0	0	111.9	E171 L174 R175 R200 L201 L202 T207 A208	E171-A204 WeakPolarHBondContact O-CB 3.42Å; L174-A204 HydrophobicContact CB-CB 3.76Å; L174-A204 HydrophobicContact CD1-CB 4.47Å; R175-A204 HydrophobicContact CB-CB 4.43Å; R200-A204 PolarHBondContact O-N 3.17Å; L201-A204 WeakPolarHBondContact O-CA 3.44Å; L201-A204 WeakPolarHBondContact O-CB 3.31Å; L201-A204 PolarHBondContact O-N 3.47Å; L202-A204 VanDerWaalsContact C-N 3.25Å; L202-A204 PolarHBondContact O-N 2.82Å; A204-T207 WeakPolarHBondContact O-CB 3.32Å; A204-T207 PolarHBondContact O-N 2.85Å; A204-T207 VanDerWaalsContact O-N 3.09Å; A204-A208 PolarHBondContact O-N 2.63Å
205	E	85.5	Confident	80.4	Confident	0 Å²	0	50.5 Å²	50.5	0%	0	23%	0.232	C	C	.	.	H	α-helix	trans	-60.5	-46.6	175.9	-175.5	-178.5	-138.8	0	0	111.9	T181 L201 L202 T207 A208 L209 W216 K280	T181-E205 WeakPolarHBondContact CB-OE2 3.29Å; T181-E205 HydrophobicContact CG2-CB 3.75Å; T181-E205 HydrophobicContact CG2-CG 4.27Å; T181-E205 VanDerWaalsContact CG2-OE2 3.31Å; T181-E205 WeakPolarHBondContact CG2-OE2 3.4Å; T181-E205 PolarHBondContact N-OE1 2.97Å; T181-E205 VanDerWaalsContact OG1-CD 3.31Å; T181-E205 PolarHBondContact OG1-OE1 3.04Å; T181-E205 PolarHBondContact OG1-OE2 2.95Å; L201-E205 PolarHBondContact O-N 3.33Å; L202-E205 PolarHBondContact O-N 2.83Å; E205-T207 PolarHBondContact O-N 2.72Å; E205-A208 WeakPolarHBondContact O-CB 3.04Å; E205-A208 PolarHBondContact O-N 3.15Å; E205-A208 VanDerWaalsContact O-N 3.14Å; E205-L209 HydrophobicContact CG-CD1 4.49Å; E205-L209 PolarHBondContact O-N 2.79Å; E205-W216 HydrophobicContact CG-CZ2 4.06Å; E205-K280 IonicContact OE1-NZ 2.89Å; E205-K280 PolarHBondContact OE1-NZ 2.94Å; E205-K280 IonicContact OE2-NZ 2.89Å; E205-K280 PolarHBondContact OE2-NZ 3.49Å
206	L	79.1	Confident	80.7	Confident	25 Å²	25	48.2 Å²	48.2	13%	0.131	22%	0.223	C	C	.	.	H	α-helix	trans	-62.6	-28.7	175	-69.4	176.7	0	0	0	112.8	L202 L209 K210 E283 F284	L202-L206 HydrophobicContact CD1-CD1 4.39Å; L202-L206 HydrophobicContact CD1-CG 4.21Å; L202-L206 HydrophobicContact CG-CD1 4.27Å; L202-L206 WeakPolarHBondContact O-CB 3.35Å; L202-L206 WeakPolarHBondContact O-CG 3.13Å; L202-L206 PolarHBondContact O-N 2.77Å; L206-L209 HydrophobicContact CD2-CD1 3.91Å; L206-K210 WeakPolarHBondContact O-CB 3.17Å; L206-K210 PolarHBondContact O-N 3.43Å; L206-E283 HydrophobicContact CD1-CB 4.47Å; L206-E283 HydrophobicContact CD1-CG 4.18Å; L206-F284 HydrophobicContact CD2-CD2 4.34Å
207	T	82.1	Confident	80.7	Confident	36 Å²	36	49.7 Å²	49.7	22%	0.221	23%	0.229	C	C	.	.	H	α-helix	trans	-71.1	-41.8	175.3	-56.2	0	0	0	0	110.7	R175 K203 A204 E205 K210 K211	R175-T207 HydrophobicContact CG-CG2 4.38Å; K203-T207 WeakPolarHBondContact O-CB 3.38Å; K203-T207 PolarHBondContact O-N 2.81Å; K203-T207 PolarHBondContact O-OG1 3.36Å; A204-T207 WeakPolarHBondContact O-CB 3.32Å; A204-T207 PolarHBondContact O-N 2.85Å; A204-T207 VanDerWaalsContact O-N 3.09Å; E205-T207 PolarHBondContact O-N 2.72Å; T207-K210 PolarHBondContact O-N 2.84Å; T207-K211 HydrophobicContact CG2-CD 4.5Å; T207-K211 WeakPolarHBondContact O-CG 3.33Å; T207-K211 PolarHBondContact O-N 2.93Å
208	A	84.8	Confident	80.6	Confident	0 Å²	0	54.3 Å²	54.3	0%	0	25%	0.251	C	S	.	.	H	α-helix	trans	-64.4	-41.3	175.5	0	0	0	0	0	111.9	L174 R175 A204 E205 K210 K211 G212 E213	L174-A208 WeakPolarHBondContact O-CB 3.23Å; R175-A208 VanDerWaalsContact O-CB 3.29Å; R175-A208 WeakPolarHBondContact O-CB 3.27Å; A204-A208 PolarHBondContact O-N 2.63Å; E205-A208 WeakPolarHBondContact O-CB 3.04Å; E205-A208 PolarHBondContact O-N 3.15Å; E205-A208 VanDerWaalsContact O-N 3.14Å; A208-K210 PolarHBondContact O-N 3.29Å; A208-K211 CarbonylContact O-C 3.56Å; A208-K211 PolarHBondContact O-N 2.96Å; A208-G212 PolarHBondContact O-N 3.1Å; A208-E213 PolarHBondContact O-N 3.49Å; A208-E213 VanDerWaalsContact O-N 3.14Å
209	L	78.6	Confident	79.8	Confident	14 Å²	14	59.4 Å²	59.4	7%	0.073	27%	0.274	C	S	.	.	H	α-helix	trans	-55.2	-49.5	171.7	-84.1	163.5	0	0	0	111.8	E205 L206 K211 G212 W216 K222 Y225	E205-L209 HydrophobicContact CG-CD1 4.49Å; E205-L209 PolarHBondContact O-N 2.79Å; L206-L209 HydrophobicContact CD2-CD1 3.91Å; L209-K211 VanDerWaalsContact C-N 3.27Å; L209-K211 PolarHBondContact O-N 3.38Å; L209-G212 PolarHBondContact O-N 3.46Å; L209-W216 HydrophobicContact CD1-CH2 4.48Å; L209-W216 HydrophobicContact CD1-CZ2 4.31Å; L209-W216 HydrophobicContact CD2-CB 4.32Å; L209-W216 HydrophobicContact CD2-CD2 3.27Å; L209-W216 HydrophobicContact CD2-CE3 3.17Å; L209-W216 HydrophobicContact CD2-CG 3.81Å; L209-W216 HydrophobicContact CD2-CH2 3.99Å; L209-W216 HydrophobicContact CD2-CZ2 4.11Å; L209-W216 HydrophobicContact CD2-CZ3 3.55Å; L209-W216 HydrophobicContact CG-CD2 3.66Å; L209-W216 HydrophobicContact CG-CE3 4.05Å; L209-W216 HydrophobicContact CG-CG 4.01Å; L209-W216 HydrophobicContact CG-CH2 4.35Å; L209-W216 HydrophobicContact CG-CZ2 4.04Å; L209-W216 HydrophobicContact CG-CZ3 4.37Å; L209-K222 HydrophobicContact CD2-CG 4.33Å; L209-Y225 HydrophobicContact CD1-CD1 4.36Å; L209-Y225 HydrophobicContact CD1-CE1 3.94Å; L209-Y225 HydrophobicContact CD2-CD1 4.47Å
210	K	74.6	Confident	79	Confident	183 Å²	183	56.7 Å²	56.7	80%	0.796	27%	0.273	S	S	*	.	H	α-helix	trans	-61.4	-36.7	178.7	-175.8	178.6	179.4	-177.2	0	112.2	L206 T207 A208	L206-K210 WeakPolarHBondContact O-CB 3.17Å; L206-K210 PolarHBondContact O-N 3.43Å; T207-K210 PolarHBondContact O-N 2.84Å; A208-K210 PolarHBondContact O-N 3.29Å
211	K	78.7	Confident	78.1	Confident	125 Å²	125	54.8 Å²	54.8	54%	0.543	27%	0.269	S	S	.	.	H	α-helix	trans	-85	-12	-178.9	-67.3	-171.1	179.4	-169.2	0	113.8	T207 A208 L209 E213	T207-K211 HydrophobicContact CG2-CD 4.5Å; T207-K211 WeakPolarHBondContact O-CG 3.33Å; T207-K211 PolarHBondContact O-N 2.93Å; A208-K211 CarbonylContact O-C 3.56Å; A208-K211 PolarHBondContact O-N 2.96Å; L209-K211 VanDerWaalsContact C-N 3.27Å; L209-K211 PolarHBondContact O-N 3.38Å; K211-E213 VanDerWaalsContact C-N 3.31Å; K211-E213 HydrophobicContact CB-CG 3.87Å; K211-E213 WeakPolarHBondContact CD-OE1 3.47Å; K211-E213 IonicContact NZ-OE1 2.87Å
212	G	76	Confident	77.1	Confident	16 Å²	16	56 Å²	56	17%	0.165	28%	0.275	C	S	.	.	T	Hydrogen-bonded Turn	trans	61.9	37.5	-172.7	0	0	0	0	0	112.9	A208 L209 W216 K217	A208-G212 PolarHBondContact O-N 3.1Å; L209-G212 PolarHBondContact O-N 3.46Å; G212-W216 VanDerWaalsContact CA-O 3.3Å; G212-W216 WeakPolarHBondContact CA-O 3.45Å; G212-K217 WeakPolarHBondContact O-CA 3.41Å; G212-K217 WeakPolarHBondContact O-CG 3.1Å
213	E	80.1	Confident	76.1	Confident	66 Å²	66	62.2 Å²	62.2	31%	0.308	30%	0.303	S	S	.	.			trans	-92.9	148	-178.8	-73.2	-177.8	-153.8	0	0	112.1	K176 A208 K211 I215 W216	K176-E213 CarbonylContact O-C 3.54Å; A208-E213 PolarHBondContact O-N 3.49Å; A208-E213 VanDerWaalsContact O-N 3.14Å; K211-E213 VanDerWaalsContact C-N 3.31Å; K211-E213 HydrophobicContact CB-CG 3.87Å; K211-E213 WeakPolarHBondContact CD-OE1 3.47Å; K211-E213 IonicContact NZ-OE1 2.87Å; E213-I215 PolarHBondContact O-N 2.85Å; E213-W216 WeakPolarHBondContact O-CB 3.34Å; E213-W216 VanDerWaalsContact O-CD1 3.32Å; E213-W216 PolarHBondContact O-N 3.05Å; E213-W216 VanDerWaalsContact O-N 3.16Å
214	G	82.6	Confident	75.3	Confident	26 Å²	26	59.9 Å²	59.9	27%	0.268	30%	0.301	S	S	.	.	G	3₁₀ helix	trans	65.5	-125.3	175	0	0	0	0	0	113	K176 W216 K217	K176-G214 WeakPolarHBondContact O-CA 3.39Å; K176-G214 PolarHBondContact O-N 3.37Å; G214-W216 PolarHBondContact O-N 2.98Å; G214-K217 WeakPolarHBondContact O-CG 3.45Å; G214-K217 PolarHBondContact O-N 2.99Å
215	I	81.8	Confident	74.3	Confident	20 Å²	20	61.6 Å²	61.6	10%	0.103	31%	0.307	C	S	.	.	G	3₁₀ helix	trans	-59.4	-25.9	175.1	64.9	-172.8	0	0	0	112.4	T124 G177 K180 E213 K217	T124-I215 HydrophobicContact CG2-CG2 3.81Å; G177-I215 WeakPolarHBondContact O-CG1 3.47Å; G177-I215 WeakPolarHBondContact O-CG2 3.34Å; G177-I215 PolarHBondContact O-N 3Å; K180-I215 HydrophobicContact CG-CD1 3.83Å; E213-I215 PolarHBondContact O-N 2.85Å; I215-K217 PolarHBondContact O-N 3.45Å
216	W	77.3	Confident	73.1	Confident	3 Å²	3	65.6 Å²	65.6	1%	0.011	32%	0.324	C	S	.	.	G	3₁₀ helix	trans	-85	11.7	-176.6	-47	111.1	0	0	0	113.5	E205 L209 G212 E213 G214 K222 Y225	E205-W216 HydrophobicContact CG-CZ2 4.06Å; L209-W216 HydrophobicContact CD1-CH2 4.48Å; L209-W216 HydrophobicContact CD1-CZ2 4.31Å; L209-W216 HydrophobicContact CD2-CB 4.32Å; L209-W216 HydrophobicContact CD2-CD2 3.27Å; L209-W216 HydrophobicContact CD2-CE3 3.17Å; L209-W216 HydrophobicContact CD2-CG 3.81Å; L209-W216 HydrophobicContact CD2-CH2 3.99Å; L209-W216 HydrophobicContact CD2-CZ2 4.11Å; L209-W216 HydrophobicContact CD2-CZ3 3.55Å; L209-W216 HydrophobicContact CG-CD2 3.66Å; L209-W216 HydrophobicContact CG-CE3 4.05Å; L209-W216 HydrophobicContact CG-CG 4.01Å; L209-W216 HydrophobicContact CG-CH2 4.35Å; L209-W216 HydrophobicContact CG-CZ2 4.04Å; L209-W216 HydrophobicContact CG-CZ3 4.37Å; G212-W216 VanDerWaalsContact CA-O 3.3Å; G212-W216 WeakPolarHBondContact CA-O 3.45Å; E213-W216 WeakPolarHBondContact O-CB 3.34Å; E213-W216 VanDerWaalsContact O-CD1 3.32Å; E213-W216 PolarHBondContact O-N 3.05Å; E213-W216 VanDerWaalsContact O-N 3.16Å; G214-W216 PolarHBondContact O-N 2.98Å; W216-K222 HydrophobicContact CB-CG 4.41Å; W216-K222 HydrophobicContact CE3-CG 4.48Å; W216-K222 WeakPolarHBondContact O-CE 3.38Å; W216-K222 PolarHBondContact O-NZ 2.77Å; W216-K222 VanDerWaalsContact O-NZ 3.08Å; W216-Y225 HydrophobicContact CH2-CD1 4.04Å; W216-Y225 AromaticContact CH2-CD2 3.65Å; W216-Y225 HydrophobicContact CH2-CD2 3.65Å; W216-Y225 HydrophobicContact CH2-CE1 4.21Å; W216-Y225 AromaticContact CH2-CE2 3.84Å; W216-Y225 HydrophobicContact CH2-CE2 3.84Å; W216-Y225 AromaticContact CH2-CG 3.75Å; W216-Y225 HydrophobicContact CH2-CG 3.75Å; W216-Y225 HydrophobicContact CZ3-CD1 4.08Å; W216-Y225 AromaticContact CZ3-CD2 3.99Å; W216-Y225 HydrophobicContact CZ3-CD2 3.99Å; W216-Y225 AromaticContact CZ3-CG 3.69Å; W216-Y225 HydrophobicContact CZ3-CG 3.69Å
217	K	76.8	Confident	72.1	Confident	159 Å²	159	65.5 Å²	65.5	69%	0.691	33%	0.33	S	S	*	.	G	3₁₀ helix	trans	-67.5	-39.6	175.7	-79	-179.9	176.7	-171.5	0	111.7	G212 G214 I215	G212-K217 WeakPolarHBondContact O-CA 3.41Å; G212-K217 WeakPolarHBondContact O-CG 3.1Å; G214-K217 WeakPolarHBondContact O-CG 3.45Å; G214-K217 PolarHBondContact O-N 2.99Å; I215-K217 PolarHBondContact O-N 3.45Å
218	E	75.3	Confident	71.3	Confident	116 Å²	116	71 Å²	71	54%	0.542	35%	0.351	S	S	.	.	S	Bend	trans	-81.9	128.3	-178.2	-150.5	-179	150.1	0	0	110.9	S220 E221 K222	E218-S220 VanDerWaalsContact CG-OG 3.24Å; E218-S220 WeakPolarHBondContact CG-OG 3.42Å; E218-S220 PolarHBondContact O-N 3.08Å; E218-S220 PolarHBondContact OE1-OG 3.41Å; E218-E221 HydrophobicContact CB-CB 4.43Å; E218-E221 HydrophobicContact CB-CG 4.24Å; E218-E221 PolarHBondContact O-N 3.18Å; E218-K222 PolarHBondContact O-N 2.83Å
219	E	61.1	Low	70	Confident	108 Å²	108	71.7 Å²	71.7	51%	0.505	35%	0.354	S	S	.	.	H	α-helix	trans	-67.9	-28.8	-179.8	-149.8	63.2	-147.4	0	0	111.2	E221 K222 E223	E219-E221 PolarHBondContact O-N 2.86Å; E219-K222 WeakPolarHBondContact O-CB 3.4Å; E219-K222 PolarHBondContact O-N 3.18Å; E219-K222 WeakPolarHBondContact OE1-CD 3.47Å; E219-K222 WeakPolarHBondContact OE2-CD 3.4Å; E219-K222 IonicContact OE2-NZ 2.9Å; E219-K222 PolarHBondContact OE2-NZ 3.02Å; E219-E223 VanDerWaalsContact O-CB 3.32Å; E219-E223 WeakPolarHBondContact O-CB 3.32Å; E219-E223 VanDerWaalsContact O-CG 3.28Å; E219-E223 WeakPolarHBondContact O-CG 3.3Å; E219-E223 PolarHBondContact O-N 2.94Å
220	S	61.9	Low	68.7	Low	56 Å²	56	77.1 Å²	77.1	39%	0.392	38%	0.377	S	S	.	.	H	α-helix	trans	-61.9	-40	173.5	68.8	0	0	0	0	112.4	E218 S224	E218-S220 VanDerWaalsContact CG-OG 3.24Å; E218-S220 WeakPolarHBondContact CG-OG 3.42Å; E218-S220 PolarHBondContact O-N 3.08Å; E218-S220 PolarHBondContact OE1-OG 3.41Å; S220-S224 WeakPolarHBondContact O-CB 3.11Å; S220-S224 PolarHBondContact O-N 2.83Å
221	E	65.3	Low	67.6	Low	82 Å²	82	72.8 Å²	72.8	38%	0.383	36%	0.362	S	S	.	.	H	α-helix	trans	-71.7	-37.8	177.4	-71.5	-153	166.3	0	0	111.6	E218 E219 Y225	E218-E221 HydrophobicContact CB-CB 4.43Å; E218-E221 HydrophobicContact CB-CG 4.24Å; E218-E221 PolarHBondContact O-N 3.18Å; E219-E221 PolarHBondContact O-N 2.86Å; E221-Y225 WeakPolarHBondContact O-CB 3.44Å; E221-Y225 PolarHBondContact O-N 3.29Å
222	K	64.4	Low	66.3	Low	26 Å²	26	68.2 Å²	68.2	11%	0.113	35%	0.346	C	S	.	.	H	α-helix	trans	-62.7	-50.3	171.7	-73.3	169.1	172.5	138.2	0	110.8	L209 W216 E218 E219 Y225 F226	L209-K222 HydrophobicContact CD2-CG 4.33Å; W216-K222 HydrophobicContact CB-CG 4.41Å; W216-K222 HydrophobicContact CE3-CG 4.48Å; W216-K222 WeakPolarHBondContact O-CE 3.38Å; W216-K222 PolarHBondContact O-NZ 2.77Å; W216-K222 VanDerWaalsContact O-NZ 3.08Å; E218-K222 PolarHBondContact O-N 2.83Å; E219-K222 WeakPolarHBondContact O-CB 3.4Å; E219-K222 PolarHBondContact O-N 3.18Å; E219-K222 WeakPolarHBondContact OE1-CD 3.47Å; E219-K222 WeakPolarHBondContact OE2-CD 3.4Å; E219-K222 IonicContact OE2-NZ 2.9Å; E219-K222 PolarHBondContact OE2-NZ 3.02Å; K222-Y225 WeakPolarHBondContact O-CB 2.99Å; K222-Y225 PolarHBondContact O-N 2.92Å; K222-F226 HydrophobicContact CB-CD2 4.4Å; K222-F226 WeakPolarHBondContact O-CB 3.14Å; K222-F226 WeakPolarHBondContact O-CD2 3.37Å; K222-F226 PolarHBondContact O-N 2.79Å
223	E	60.5	Low	65	Low	131 Å²	131	69.7 Å²	69.7	61%	0.612	35%	0.347	S	S	*	.	H	α-helix	trans	-65.3	-39.6	-178.9	-75.3	-178.9	176	0	0	112	E219 F226 G227	E219-E223 VanDerWaalsContact O-CB 3.32Å; E219-E223 WeakPolarHBondContact O-CB 3.32Å; E219-E223 VanDerWaalsContact O-CG 3.28Å; E219-E223 WeakPolarHBondContact O-CG 3.3Å; E219-E223 PolarHBondContact O-N 2.94Å; E223-F226 CarbonylContact O-C 3.57Å; E223-F226 PolarHBondContact O-N 2.96Å; E223-G227 WeakPolarHBondContact O-CA 3.31Å; E223-G227 PolarHBondContact O-N 2.87Å
224	S	67.6	Low	63.3	Low	61 Å²	61	72.8 Å²	72.8	43%	0.427	36%	0.356	S	S	.	.	H	α-helix	trans	-63.4	-42	172.6	-178.3	0	0	0	0	111.5	S220 G227 K228	S220-S224 WeakPolarHBondContact O-CB 3.11Å; S220-S224 PolarHBondContact O-N 2.83Å; S224-G227 PolarHBondContact O-N 2.88Å; S224-K228 WeakPolarHBondContact O-CB 3.38Å; S224-K228 WeakPolarHBondContact O-CG 3.44Å; S224-K228 PolarHBondContact O-N 3.3Å
225	Y	66.9	Low	61.7	Low	41 Å²	41	76.8 Å²	76.8	16%	0.161	37%	0.367	C	S	.	.	H	α-helix	trans	-65.1	-45.5	174.8	-174.5	-99.6	0	0	0	111.7	L209 W216 E221 K222 G227 F229 K280	L209-Y225 HydrophobicContact CD1-CD1 4.36Å; L209-Y225 HydrophobicContact CD1-CE1 3.94Å; L209-Y225 HydrophobicContact CD2-CD1 4.47Å; W216-Y225 HydrophobicContact CH2-CD1 4.04Å; W216-Y225 AromaticContact CH2-CD2 3.65Å; W216-Y225 HydrophobicContact CH2-CD2 3.65Å; W216-Y225 HydrophobicContact CH2-CE1 4.21Å; W216-Y225 AromaticContact CH2-CE2 3.84Å; W216-Y225 HydrophobicContact CH2-CE2 3.84Å; W216-Y225 AromaticContact CH2-CG 3.75Å; W216-Y225 HydrophobicContact CH2-CG 3.75Å; W216-Y225 HydrophobicContact CZ3-CD1 4.08Å; W216-Y225 AromaticContact CZ3-CD2 3.99Å; W216-Y225 HydrophobicContact CZ3-CD2 3.99Å; W216-Y225 AromaticContact CZ3-CG 3.69Å; W216-Y225 HydrophobicContact CZ3-CG 3.69Å; E221-Y225 WeakPolarHBondContact O-CB 3.44Å; E221-Y225 PolarHBondContact O-N 3.29Å; K222-Y225 WeakPolarHBondContact O-CB 2.99Å; K222-Y225 PolarHBondContact O-N 2.92Å; Y225-G227 VanDerWaalsContact C-N 3.34Å; Y225-F229 WeakPolarHBondContact O-CB 3.03Å; Y225-F229 PolarHBondContact O-N 3.07Å; Y225-K280 WeakPolarHBondContact OH-CD 3.35Å; Y225-K280 PolarHBondContact OH-NZ 2.91Å
226	F	59.6	Low	59.8	Low	83 Å²	83	77.3 Å²	77.3	36%	0.364	37%	0.368	S	S	.	.	H	α-helix	trans	-64.7	-35.9	174.7	-82.9	-63.8	0	0	0	112.3	K222 E223 F229 K230 F284	K222-F226 HydrophobicContact CB-CD2 4.4Å; K222-F226 WeakPolarHBondContact O-CB 3.14Å; K222-F226 WeakPolarHBondContact O-CD2 3.37Å; K222-F226 PolarHBondContact O-N 2.79Å; E223-F226 CarbonylContact O-C 3.57Å; E223-F226 PolarHBondContact O-N 2.96Å; F226-F229 CarbonylContact O-C 3.59Å; F226-F229 PolarHBondContact O-N 2.86Å; F226-K230 WeakPolarHBondContact O-CA 3.09Å; F226-K230 WeakPolarHBondContact O-CB 3.31Å; F226-K230 PolarHBondContact O-N 2.65Å; F226-F284 HydrophobicContact CD1-CZ 4.43Å; F226-F284 AromaticContact CE1-CE2 3.69Å; F226-F284 HydrophobicContact CE1-CE2 3.69Å; F226-F284 AromaticContact CE1-CZ 3.65Å; F226-F284 HydrophobicContact CE1-CZ 3.65Å; F226-F284 HydrophobicContact CZ-CE2 4.3Å
227	G	58.6	Low	58.3	Low	24 Å²	24	82.9 Å²	82.9	25%	0.247	39%	0.389	C	S	.	.	H	α-helix	trans	-64	-56.4	176	0	0	0	0	0	110.7	E223 S224 Y225 F229 K230 D231	E223-G227 WeakPolarHBondContact O-CA 3.31Å; E223-G227 PolarHBondContact O-N 2.87Å; S224-G227 PolarHBondContact O-N 2.88Å; Y225-G227 VanDerWaalsContact C-N 3.34Å; G227-F229 PolarHBondContact O-N 2.68Å; G227-F229 VanDerWaalsContact O-N 3.17Å; G227-K230 PolarHBondContact O-N 2.95Å; G227-D231 WeakPolarHBondContact O-CB 3.38Å; G227-D231 VanDerWaalsContact O-CG 3.27Å; G227-D231 PolarHBondContact O-N 3.48Å
228	K	65.1	Low	56.9	Low	152 Å²	152	80.4 Å²	80.4	66%	0.661	38%	0.378	S	S	*	.	H	α-helix	trans	-54.7	-38.6	174.1	-70.3	177.2	-174.4	-178.7	0	112.1	S224 S232	S224-K228 WeakPolarHBondContact O-CB 3.38Å; S224-K228 WeakPolarHBondContact O-CG 3.44Å; S224-K228 PolarHBondContact O-N 3.3Å; K228-S232 WeakPolarHBondContact O-CB 3.29Å; K228-S232 PolarHBondContact O-N 3.21Å; K228-S232 VanDerWaalsContact O-N 3.08Å
229	F	57.4	Low	55.5	Low	14 Å²	14	81.6 Å²	81.6	6%	0.061	38%	0.381	C	S	.	.	H	α-helix	trans	-70.6	-43.5	177.2	-172.9	-97.2	0	0	0	112.8	Y225 F226 G227 W233 K280 L281 F284	Y225-F229 WeakPolarHBondContact O-CB 3.03Å; Y225-F229 PolarHBondContact O-N 3.07Å; F226-F229 CarbonylContact O-C 3.59Å; F226-F229 PolarHBondContact O-N 2.86Å; G227-F229 PolarHBondContact O-N 2.68Å; G227-F229 VanDerWaalsContact O-N 3.17Å; F229-W233 AromaticContact CD1-CD1 3.58Å; F229-W233 AromaticContact CD1-NE1 3.91Å; F229-W233 AromaticContact CE1-CD1 3.43Å; F229-W233 VanDerWaalsContact CE1-CD1 3.43Å; F229-W233 AromaticContact CE1-NE1 3.24Å; F229-W233 AromaticContact CZ-NE1 3.57Å; F229-W233 WeakPolarHBondContact O-CB 3.48Å; F229-W233 VanDerWaalsContact O-CD1 3.31Å; F229-W233 PolarHBondContact O-N 2.79Å; F229-K280 HydrophobicContact CD2-CB 4.42Å; F229-K280 HydrophobicContact CE2-CB 3.6Å; F229-K280 HydrophobicContact CZ-CB 4.48Å; F229-L281 HydrophobicContact CD1-CD2 4.24Å; F229-L281 HydrophobicContact CD2-CD2 3.5Å; F229-L281 HydrophobicContact CE1-CD2 3.93Å; F229-L281 HydrophobicContact CE2-CD2 3.12Å; F229-L281 HydrophobicContact CE2-CG 4.35Å; F229-L281 HydrophobicContact CG-CD2 4.08Å; F229-L281 HydrophobicContact CZ-CB 4.42Å; F229-L281 HydrophobicContact CZ-CD2 3.41Å; F229-L281 VanDerWaalsContact CZ-CD2 3.41Å; F229-L281 HydrophobicContact CZ-CG 4.44Å; F229-F284 HydrophobicContact CE1-CB 4.16Å; F229-F284 AromaticContact CE1-CD1 3.56Å; F229-F284 HydrophobicContact CE1-CD1 3.56Å; F229-F284 HydrophobicContact CE1-CE1 4.07Å; F229-F284 AromaticContact CE1-CG 3.93Å; F229-F284 HydrophobicContact CE1-CG 3.93Å; F229-F284 HydrophobicContact CZ-CB 3.75Å; F229-F284 HydrophobicContact CZ-CD1 4.05Å; F229-F284 HydrophobicContact CZ-CG 4Å
230	K	52.3	Low	54.5	Low	128 Å²	128	78.7 Å²	78.7	56%	0.557	37%	0.37	S	S	*	.	H	α-helix	trans	-70	-37.1	-179.7	-174.4	-179.6	-175.6	-178.4	0	111.6	F226 G227 W233 R234	F226-K230 WeakPolarHBondContact O-CA 3.09Å; F226-K230 WeakPolarHBondContact O-CB 3.31Å; F226-K230 PolarHBondContact O-N 2.65Å; G227-K230 PolarHBondContact O-N 2.95Å; K230-W233 CarbonylContact O-C 3.53Å; K230-W233 VanDerWaalsContact O-CB 3.29Å; K230-W233 WeakPolarHBondContact O-CB 3.38Å; K230-W233 PolarHBondContact O-N 3.09Å; K230-R234 VanDerWaalsContact O-CB 3.27Å; K230-R234 WeakPolarHBondContact O-CB 3.5Å; K230-R234 PolarHBondContact O-N 2.81Å
231	D	51.4	Low	53	Low	91 Å²	91	84.4 Å²	84.4	49%	0.487	38%	0.382	S	S	.	.	H	α-helix	trans	-72.1	-41.9	175.9	-64.4	-28.2	0	0	0	110.6	G227 W233 R234 E235	G227-D231 WeakPolarHBondContact O-CB 3.38Å; G227-D231 VanDerWaalsContact O-CG 3.27Å; G227-D231 PolarHBondContact O-N 3.48Å; D231-W233 VanDerWaalsContact C-N 3.27Å; D231-W233 PolarHBondContact O-N 3.17Å; D231-R234 PolarHBondContact O-N 2.91Å; D231-E235 WeakPolarHBondContact O-CB 3.33Å; D231-E235 WeakPolarHBondContact O-CG 3.36Å; D231-E235 PolarHBondContact O-N 3.02Å
232	S	50.9	Low	51.6	Low	30 Å²	30	89.4 Å²	89.4	21%	0.21	40%	0.403	C	S	.	.	H	α-helix	trans	-59.7	-37.8	169.2	-172	0	0	0	0	112.2	K228 R236	K228-S232 WeakPolarHBondContact O-CB 3.29Å; K228-S232 PolarHBondContact O-N 3.21Å; K228-S232 VanDerWaalsContact O-N 3.08Å; S232-R236 WeakPolarHBondContact O-CB 3.26Å; S232-R236 WeakPolarHBondContact O-CD 3.39Å; S232-R236 WeakPolarHBondContact O-CG 3.27Å; S232-R236 PolarHBondContact O-N 3.3Å
233	W	47.7	Very low	50.2	Low	47 Å²	47	94.8 Å²	94.8	18%	0.178	43%	0.432	C	S	.	.	H	α-helix	trans	-63.8	-50.5	171.3	-103.6	93.2	0	0	0	112	F229 K230 D231 E235 R236 W237 L281 V285	F229-W233 AromaticContact CD1-CD1 3.58Å; F229-W233 AromaticContact CD1-NE1 3.91Å; F229-W233 AromaticContact CE1-CD1 3.43Å; F229-W233 VanDerWaalsContact CE1-CD1 3.43Å; F229-W233 AromaticContact CE1-NE1 3.24Å; F229-W233 AromaticContact CZ-NE1 3.57Å; F229-W233 WeakPolarHBondContact O-CB 3.48Å; F229-W233 VanDerWaalsContact O-CD1 3.31Å; F229-W233 PolarHBondContact O-N 2.79Å; K230-W233 CarbonylContact O-C 3.53Å; K230-W233 VanDerWaalsContact O-CB 3.29Å; K230-W233 WeakPolarHBondContact O-CB 3.38Å; K230-W233 PolarHBondContact O-N 3.09Å; D231-W233 VanDerWaalsContact C-N 3.27Å; D231-W233 PolarHBondContact O-N 3.17Å; W233-E235 PolarHBondContact O-N 2.94Å; W233-R236 PolarHBondContact O-N 3.07Å; W233-W237 AromaticContact CE3-CD1 3.44Å; W233-W237 VanDerWaalsContact CE3-CD1 3.44Å; W233-W237 AromaticContact CE3-NE1 3.04Å; W233-W237 AromaticContact CH2-NE1 3.87Å; W233-W237 AromaticContact CZ3-CD1 3.77Å; W233-W237 AromaticContact CZ3-CE2 3.57Å; W233-W237 AromaticContact CZ3-CZ2 3.86Å; W233-W237 HydrophobicContact CZ3-CZ2 3.86Å; W233-W237 AromaticContact CZ3-NE1 2.85Å; W233-W237 VanDerWaalsContact O-CD1 3.28Å; W233-W237 PolarHBondContact O-N 3.48Å; W233-L281 HydrophobicContact CB-CD1 4.5Å; W233-L281 VanDerWaalsContact CD1-CD1 3.46Å; W233-L281 HydrophobicContact CD2-CD1 3.8Å; W233-L281 HydrophobicContact CD2-CG 4.49Å; W233-L281 HydrophobicContact CG-CD1 3.68Å; W233-L281 HydrophobicContact CG-CD2 4.08Å; W233-L281 HydrophobicContact CG-CG 4.34Å; W233-L281 HydrophobicContact CZ2-CB 3.5Å; W233-L281 HydrophobicContact CZ2-CD1 4.08Å; W233-L281 HydrophobicContact CZ2-CG 4.24Å; W233-L281 VanDerWaalsContact NE1-CB 3.32Å; W233-L281 VanDerWaalsContact NE1-CG 3.29Å; W233-V285 HydrophobicContact CH2-CB 4.34Å; W233-V285 HydrophobicContact CH2-CG2 3.3Å; W233-V285 HydrophobicContact CZ2-CB 4.32Å; W233-V285 HydrophobicContact CZ2-CG2 3.24Å; W233-V285 HydrophobicContact CZ3-CG2 4.19Å
234	R	45.2	Very low	49.1	Very low	131 Å²	131	95.8 Å²	95.8	49%	0.494	44%	0.435	S	S	.	.	H	α-helix	trans	-64.8	-43.3	-172.7	-173.1	-173	-62.6	-89.7	9	111.6	K230 D231 R236 W237 K238	K230-R234 VanDerWaalsContact O-CB 3.27Å; K230-R234 WeakPolarHBondContact O-CB 3.5Å; K230-R234 PolarHBondContact O-N 2.81Å; D231-R234 PolarHBondContact O-N 2.91Å; R234-R236 VanDerWaalsContact C-N 3.27Å; R234-R236 PolarHBondContact O-N 3.03Å; R234-W237 PolarHBondContact O-N 3.33Å; R234-K238 WeakPolarHBondContact O-CG 3.47Å; R234-K238 PolarHBondContact O-N 2.89Å; R234-K238 VanDerWaalsContact O-N 3.13Å
235	E	49.2	Very low	47.5	Very low	109 Å²	109	99.1 Å²	99.1	51%	0.509	45%	0.453	S	S	.	.	H	α-helix	trans	-63.5	-34.3	176.2	-72.3	-54.7	124.4	0	0	112	D231 W233 K238 K239	D231-E235 WeakPolarHBondContact O-CB 3.33Å; D231-E235 WeakPolarHBondContact O-CG 3.36Å; D231-E235 PolarHBondContact O-N 3.02Å; W233-E235 PolarHBondContact O-N 2.94Å; E235-K238 IonicContact OE1-NZ 3.08Å; E235-K238 PolarHBondContact OE1-NZ 3.46Å; E235-K239 PolarHBondContact O-N 3.44Å
236	R	42.3	Very low	45.8	Very low	31 Å²	31	103.6 Å²	103.6	12%	0.117	48%	0.484	C	S	.	.	H	α-helix	trans	-74.8	-35.3	178	-72.9	170.5	67.7	-179	6.3	113.6	S232 W233 R234 K239 D240 W268 V278	S232-R236 WeakPolarHBondContact O-CB 3.26Å; S232-R236 WeakPolarHBondContact O-CD 3.39Å; S232-R236 WeakPolarHBondContact O-CG 3.27Å; S232-R236 PolarHBondContact O-N 3.3Å; W233-R236 PolarHBondContact O-N 3.07Å; R234-R236 VanDerWaalsContact C-N 3.27Å; R234-R236 PolarHBondContact O-N 3.03Å; R236-K239 PolarHBondContact O-N 2.95Å; R236-D240 PolarHBondContact O-N 3.15Å; R236-D240 VanDerWaalsContact O-N 3.1Å; R236-W268 VanDerWaalsContact NH2-CD2 3.29Å; R236-V278 VanDerWaalsContact NH2-CG1 3.26Å
237	W	44.9	Very low	44.4	Very low	121 Å²	121	103 Å²	103	46%	0.458	50%	0.501	S	S	.	.	H	α-helix	trans	-72.8	-27.5	174.5	-85	75.1	0	0	0	113.7	W233 R234 R241	W233-W237 AromaticContact CE3-CD1 3.44Å; W233-W237 VanDerWaalsContact CE3-CD1 3.44Å; W233-W237 AromaticContact CE3-NE1 3.04Å; W233-W237 AromaticContact CH2-NE1 3.87Å; W233-W237 AromaticContact CZ3-CD1 3.77Å; W233-W237 AromaticContact CZ3-CE2 3.57Å; W233-W237 AromaticContact CZ3-CZ2 3.86Å; W233-W237 HydrophobicContact CZ3-CZ2 3.86Å; W233-W237 AromaticContact CZ3-NE1 2.85Å; W233-W237 VanDerWaalsContact O-CD1 3.28Å; W233-W237 PolarHBondContact O-N 3.48Å; R234-W237 PolarHBondContact O-N 3.33Å; W237-R241 WeakPolarHBondContact O-CB 3.37Å; W237-R241 PolarHBondContact O-N 2.6Å; W237-R241 VanDerWaalsContact O-N 3.12Å
238	K	47.8	Very low	43.2	Very low	107 Å²	107	107 Å²	107	47%	0.465	52%	0.523	S	S	.	.	H	α-helix	trans	-66.6	-40.1	170.7	-74.7	178.1	-178.6	172.1	0	111	R234 E235 R241	R234-K238 WeakPolarHBondContact O-CG 3.47Å; R234-K238 PolarHBondContact O-N 2.89Å; R234-K238 VanDerWaalsContact O-N 3.13Å; E235-K238 IonicContact OE1-NZ 3.08Å; E235-K238 PolarHBondContact OE1-NZ 3.46Å; K238-R241 PolarHBondContact O-N 3.07Å
239	K	45.9	Very low	41.5	Very low	140 Å²	140	106.8 Å²	106.8	61%	0.609	53%	0.53	S	S	*	.	H	α-helix	trans	-64.1	-41.9	173.4	-93.2	-176.3	173	-178	0	113.4	E235 R236 R241 F242	E235-K239 PolarHBondContact O-N 3.44Å; R236-K239 PolarHBondContact O-N 2.95Å; K239-R241 VanDerWaalsContact C-N 3.26Å; K239-R241 PolarHBondContact O-N 3.31Å; K239-F242 PolarHBondContact O-N 3.35Å
240	D	38.8	Very low	40.3	Very low	48 Å²	48	115.2 Å²	115.2	26%	0.257	57%	0.566	S	S	.	*	H	α-helix	trans	-69.3	-22.9	175.7	-90.7	2	0	0	0	113.2	R236 F242 L243	R236-D240 PolarHBondContact O-N 3.15Å; R236-D240 VanDerWaalsContact O-N 3.1Å; D240-F242 VanDerWaalsContact C-N 3.3Å; D240-L243 PolarHBondContact O-N 3.5Å
241	R	32.4	Very low	39.6	Very low	175 Å²	175	117 Å²	117	66%	0.66	58%	0.582	S	S	*	*	H	α-helix	trans	-72.2	-23.3	176	-124.4	-176.6	-70.1	-157.4	-0.3	113	W237 K238 K239 L243 K244	W237-R241 WeakPolarHBondContact O-CB 3.37Å; W237-R241 PolarHBondContact O-N 2.6Å; W237-R241 VanDerWaalsContact O-N 3.12Å; K238-R241 PolarHBondContact O-N 3.07Å; K239-R241 VanDerWaalsContact C-N 3.26Å; K239-R241 PolarHBondContact O-N 3.31Å; R241-L243 PolarHBondContact O-N 2.92Å; R241-K244 PolarHBondContact O-N 3.23Å
242	F	35.4	Very low	38.9	Very low	188 Å²	188	116.8 Å²	116.8	83%	0.825	58%	0.58	S	S	*	*	T	Hydrogen-bonded Turn	trans	-71.1	-15.2	172.7	-105.5	-87.7	0	0	0	113.3	K239 D240	K239-F242 PolarHBondContact O-N 3.35Å; D240-F242 VanDerWaalsContact C-N 3.3Å
243	L	33.7	Very low	38.6	Very low	138 Å²	138	120.4 Å²	120.4	72%	0.723	60%	0.601	S	S	*	*	T	Hydrogen-bonded Turn	trans	-97.3	7.7	176.6	-75.9	164.3	0	0	0	113.4	D240 R241	D240-L243 PolarHBondContact O-N 3.5Å; R241-L243 PolarHBondContact O-N 2.92Å
244	K	38.1	Very low	38.1	Very low	153 Å²	153	127 Å²	127	67%	0.665	63%	0.631	S	S	*	*			trans	-108.5	42.9	-176.4	-83.1	-168.8	175.7	-175.6	0	114.1	R241 T246	R241-K244 PolarHBondContact O-N 3.23Å; K244-T246 VanDerWaalsContact C-N 3.29Å; K244-T246 PolarHBondContact O-N 2.83Å
245	T	33	Very low	37.5	Very low	130 Å²	130	128.1 Å²	128.1	80%	0.798	64%	0.642	S	S	*	*			trans	-96.5	47.3	163	-31.9	0	0	0	0	110.9
246	T	32.9	Very low	37.1	Very low	135 Å²	135	124.4 Å²	124.4	83%	0.828	63%	0.628	S	S	*	*	S	Bend	trans	-151.7	110.1	163.1	-34	0	0	0	0	109.5	K244	K244-T246 VanDerWaalsContact C-N 3.29Å; K244-T246 PolarHBondContact O-N 2.83Å
247	G	28.6	Very low	36.9	Very low	70 Å²	70	128.6 Å²	128.6	72%	0.722	65%	0.645	S	S	*	*			trans	28.4	130.3	161.7	0	0	0	0	0	121.8
248	P	34.3	Very low	36.5	Very low	108 Å²	108	130.1 Å²	130.1	70%	0.701	65%	0.652	S	S	*	*			trans	-92.6	99.7	173	35.2	-26	0	0	0	111.6	F250	P248-F250 HydrophobicContact CB-CD2 4.32Å; P248-F250 HydrophobicContact CB-CE2 4.41Å
249	D	30	Very low	36.3	Very low	149 Å²	149	128.6 Å²	128.6	80%	0.797	65%	0.649	S	S	*	*			trans	-96.9	103.1	160.7	-75.6	-29.6	0	0	0	110.1	N251	D249-N251 VanDerWaalsContact C-N 3.27Å; D249-N251 PolarHBondContact O-N 3.46Å
250	F	31.8	Very low	36.2	Very low	191 Å²	191	128 Å²	128	84%	0.838	64%	0.643	S	S	*	*			trans	-76.8	70	176.4	-94.7	-92.5	0	0	0	110.6	P248	P248-F250 HydrophobicContact CB-CD2 4.32Å; P248-F250 HydrophobicContact CB-CE2 4.41Å
251	N	37.9	Very low	36.3	Very low	164 Å²	164	127.7 Å²	127.7	88%	0.877	64%	0.639	S	S	*	*			trans	-155.9	79.5	163.3	-89.2	-38.9	0	0	0	109.9	D249	D249-N251 VanDerWaalsContact C-N 3.27Å; D249-N251 PolarHBondContact O-N 3.46Å
252	L	36.6	Very low	36.8	Very low	87 Å²	87	127.7 Å²	127.7	46%	0.455	64%	0.639	S	S	.	*			trans	-122.9	109.7	-178.6	-80.4	135.5	0	0	0	110.8	S256 R260	L252-S256 WeakPolarHBondContact CD2-OG 3.3Å; L252-R260 VanDerWaalsContact CD2-NH2 3.33Å
253	T	45	Very low	37.4	Very low	106 Å²	106	126.8 Å²	126.8	65%	0.65	63%	0.63	S	S	*	*			trans	-51	148.5	169.3	42.4	0	0	0	0	111.4	E255 S256	T253-E255 PolarHBondContact O-N 3.37Å; T253-S256 PolarHBondContact O-N 3.23Å
254	K	36.9	Very low	37.9	Very low	185 Å²	185	121.2 Å²	121.2	80%	0.804	60%	0.604	S	S	*	*	H	α-helix	trans	-48.9	-31.8	-176.7	-81.4	176.5	177.8	169.5	0	113.6	Y258	K254-Y258 VanDerWaalsContact O-CD2 3.23Å; K254-Y258 WeakPolarHBondContact O-CD2 3.34Å
255	E	31.9	Very low	38.1	Very low	155 Å²	155	115.1 Å²	115.1	72%	0.724	58%	0.58	S	S	*	*	H	α-helix	trans	-64.4	-39.7	177	-82.4	175.7	153.3	0	0	113.3	T253 Y257 Y258 D259	T253-E255 PolarHBondContact O-N 3.37Å; E255-Y257 VanDerWaalsContact C-N 3.35Å; E255-Y257 PolarHBondContact O-N 2.98Å; E255-Y258 PolarHBondContact O-N 2.8Å; E255-D259 PolarHBondContact O-N 3.47Å
256	S	41.2	Very low	38.7	Very low	32 Å²	32	110.5 Å²	110.5	22%	0.224	56%	0.558	C	S	.	*	H	α-helix	trans	-71.5	-29.1	-178.1	-170.4	0	0	0	0	113.6	L252 T253 R260	L252-S256 WeakPolarHBondContact CD2-OG 3.3Å; T253-S256 PolarHBondContact O-N 3.23Å; S256-R260 VanDerWaalsContact O-CB 3.25Å; S256-R260 WeakPolarHBondContact O-CB 3.32Å; S256-R260 PolarHBondContact O-N 2.99Å
257	Y	37	Very low	39.2	Very low	119 Å²	119	107 Å²	107	47%	0.467	54%	0.54	S	S	.	.	H	α-helix	trans	-66	-43.4	173.7	178.9	-99.4	0	0	0	111.7	E255 R260 F261	E255-Y257 VanDerWaalsContact C-N 3.35Å; E255-Y257 PolarHBondContact O-N 2.98Å; Y257-R260 PolarHBondContact O-N 3.47Å; Y257-F261 VanDerWaalsContact O-CB 3.25Å; Y257-F261 WeakPolarHBondContact O-CB 3.41Å; Y257-F261 PolarHBondContact O-N 2.88Å
258	Y	38.1	Very low	39.9	Very low	153 Å²	153	105.9 Å²	105.9	60%	0.6	51%	0.514	S	S	*	.	H	α-helix	trans	-66.8	-38.4	178.8	-81	-73.6	0	0	0	112.6	K254 E255 F261 R262	K254-Y258 VanDerWaalsContact O-CD2 3.23Å; K254-Y258 WeakPolarHBondContact O-CD2 3.34Å; E255-Y258 PolarHBondContact O-N 2.8Å; Y258-F261 PolarHBondContact O-N 3.29Å; Y258-R262 VanDerWaalsContact O-CB 3.29Å; Y258-R262 WeakPolarHBondContact O-CB 3.23Å; Y258-R262 PolarHBondContact O-N 3.41Å
259	D	43.1	Very low	40.1	Very low	75 Å²	75	105.5 Å²	105.5	40%	0.401	50%	0.501	S	S	.	.	H	α-helix	trans	-76.5	-30.6	178	-80.4	-27.9	0	0	0	113.3	E255 R262 R263	E255-D259 PolarHBondContact O-N 3.47Å; D259-R262 IonicContact OD1-NH1 2.89Å; D259-R262 PolarHBondContact OD1-NH1 3.28Å; D259-R263 WeakPolarHBondContact O-CB 3.14Å; D259-R263 WeakPolarHBondContact O-CG 3.27Å; D259-R263 PolarHBondContact O-N 3.32Å; D259-R263 PolarHBondContact O-NE 2.9Å
260	R	44.2	Very low	40.7	Very low	127 Å²	127	105 Å²	105	48%	0.479	50%	0.498	S	S	.	.	H	α-helix	trans	-67.9	-41.4	169.7	-162.8	-178.1	-61.6	-159.2	-1.2	111.2	L252 S256 Y257 R263 A264	L252-R260 VanDerWaalsContact CD2-NH2 3.33Å; S256-R260 VanDerWaalsContact O-CB 3.25Å; S256-R260 WeakPolarHBondContact O-CB 3.32Å; S256-R260 PolarHBondContact O-N 2.99Å; Y257-R260 PolarHBondContact O-N 3.47Å; R260-R263 PolarHBondContact O-N 2.98Å; R260-A264 WeakPolarHBondContact O-CB 3.2Å; R260-A264 PolarHBondContact O-N 3.3Å
261	F	39.2	Very low	41	Very low	42 Å²	42	102.9 Å²	102.9	18%	0.184	49%	0.491	C	S	.	.	H	α-helix	trans	-68.1	-35.5	176	-161.4	-86	0	0	0	112.3	Y257 Y258 C265 R282	Y257-F261 VanDerWaalsContact O-CB 3.25Å; Y257-F261 WeakPolarHBondContact O-CB 3.41Å; Y257-F261 PolarHBondContact O-N 2.88Å; Y258-F261 PolarHBondContact O-N 3.29Å; F261-C265 VanDerWaalsContact CE1-SG 3.6Å; F261-C265 WeakPolarHBondContact O-CB 3.39Å; F261-C265 PolarHBondContact O-N 2.87Å; F261-C265 PolarHBondContact O-SG 3.48Å; F261-C265 VanDerWaalsContact O-SG 3.41Å; F261-R282 HydrophobicContact CE1-CB 3.95Å; F261-R282 HydrophobicContact CE1-CG 3.82Å; F261-R282 HydrophobicContact CZ-CB 4.04Å; F261-R282 HydrophobicContact CZ-CG 4.24Å
262	R	44.3	Very low	40.8	Very low	174 Å²	174	101.6 Å²	101.6	66%	0.657	48%	0.481	S	S	*	.	H	α-helix	trans	-65.5	-42.6	172.8	-177.8	-173.5	-90.8	151.1	-13.9	111.4	Y258 D259 C265 G266	Y258-R262 VanDerWaalsContact O-CB 3.29Å; Y258-R262 WeakPolarHBondContact O-CB 3.23Å; Y258-R262 PolarHBondContact O-N 3.41Å; D259-R262 IonicContact OD1-NH1 2.89Å; D259-R262 PolarHBondContact OD1-NH1 3.28Å; R262-C265 PolarHBondContact O-N 3.3Å; R262-G266 PolarHBondContact O-N 3.35Å
263	R	47.5	Very low	41	Very low	170 Å²	170	101.3 Å²	101.3	64%	0.642	50%	0.499	S	S	*	.	H	α-helix	trans	-65.4	-42	175.3	-77.7	-175.2	-77.2	158.1	-10.3	112.5	D259 R260 G266 S267	D259-R263 WeakPolarHBondContact O-CB 3.14Å; D259-R263 WeakPolarHBondContact O-CG 3.27Å; D259-R263 PolarHBondContact O-N 3.32Å; D259-R263 PolarHBondContact O-NE 2.9Å; R260-R263 PolarHBondContact O-N 2.98Å; R263-G266 WeakPolarHBondContact O-CA 3.21Å; R263-G266 PolarHBondContact O-N 3.26Å; R263-G266 VanDerWaalsContact O-N 3.12Å; R263-S267 PolarHBondContact O-N 2.86Å
264	A	45.1	Very low	41.4	Very low	20 Å²	20	100.7 Å²	100.7	17%	0.165	49%	0.492	C	S	.	.	H	α-helix	trans	-64.1	-43.4	173.8	0	0	0	0	0	112.1	R260 G266 S267 W268	R260-A264 WeakPolarHBondContact O-CB 3.2Å; R260-A264 PolarHBondContact O-N 3.3Å; A264-G266 PolarHBondContact O-N 2.87Å; A264-S267 PolarHBondContact O-N 2.85Å; A264-S267 PolarHBondContact O-OG 3.42Å; A264-W268 WeakPolarHBondContact O-CB 3.33Å; A264-W268 VanDerWaalsContact O-CD2 3.3Å; A264-W268 PolarHBondContact O-N 3.48Å
265	C	42.3	Very low	42.2	Very low	25 Å²	25	94.4 Å²	94.4	17%	0.169	46%	0.464	C	S	.	.	H	α-helix	trans	-62.4	-31.1	170.8	-79.8	0	0	0	0	113.1	F261 R262 K269	F261-C265 VanDerWaalsContact CE1-SG 3.6Å; F261-C265 WeakPolarHBondContact O-CB 3.39Å; F261-C265 PolarHBondContact O-N 2.87Å; F261-C265 PolarHBondContact O-SG 3.48Å; F261-C265 VanDerWaalsContact O-SG 3.41Å; R262-C265 PolarHBondContact O-N 3.3Å; C265-K269 PolarHBondContact O-N 2.9Å
266	G	44.5	Very low	43.2	Very low	33 Å²	33	87.7 Å²	87.7	34%	0.34	44%	0.435	S	S	.	.	H	α-helix	trans	-64.4	-50.6	172.5	0	0	0	0	0	111.9	R262 R263 A264 W268 K269	R262-G266 PolarHBondContact O-N 3.35Å; R263-G266 WeakPolarHBondContact O-CA 3.21Å; R263-G266 PolarHBondContact O-N 3.26Å; R263-G266 VanDerWaalsContact O-N 3.12Å; A264-G266 PolarHBondContact O-N 2.87Å; G266-W268 VanDerWaalsContact C-N 3.29Å; G266-W268 PolarHBondContact O-N 3.35Å; G266-K269 WeakPolarHBondContact O-CB 3.21Å; G266-K269 PolarHBondContact O-N 3.27Å; G266-K269 VanDerWaalsContact O-N 3.1Å
267	S	44.1	Very low	43.9	Very low	62 Å²	62	88.7 Å²	88.7	43%	0.434	44%	0.437	S	S	.	.	H	α-helix	trans	-70.2	-26.1	176.9	78.6	0	0	0	0	113.2	R263 A264 K269 D270	R263-S267 PolarHBondContact O-N 2.86Å; A264-S267 PolarHBondContact O-N 2.85Å; A264-S267 PolarHBondContact O-OG 3.42Å; S267-K269 VanDerWaalsContact C-N 3.27Å; S267-K269 PolarHBondContact O-N 2.79Å; S267-D270 PolarHBondContact O-N 2.94Å
268	W	42.7	Very low	44.9	Very low	47 Å²	47	83.7 Å²	83.7	18%	0.178	42%	0.419	C	S	.	.	H	α-helix	trans	-71	-19.1	171.3	-65.1	-13	0	0	0	113.5	R236 A264 G266 D270 V278	R236-W268 VanDerWaalsContact NH2-CD2 3.29Å; A264-W268 WeakPolarHBondContact O-CB 3.33Å; A264-W268 VanDerWaalsContact O-CD2 3.3Å; A264-W268 PolarHBondContact O-N 3.48Å; G266-W268 VanDerWaalsContact C-N 3.29Å; G266-W268 PolarHBondContact O-N 3.35Å; W268-D270 VanDerWaalsContact C-N 3.28Å; W268-V278 HydrophobicContact CE3-CG1 3.63Å; W268-V278 HydrophobicContact CZ3-CG1 3.9Å
269	K	40	Very low	45.9	Very low	99 Å²	99	76.6 Å²	76.6	43%	0.43	39%	0.391	S	S	.	.	H	α-helix	trans	-63.5	-36.4	174	-170.5	177.8	175	169.8	0	111.1	D190 C265 G266 S267	D190-K269 VanDerWaalsContact CG-NZ 3.3Å; D190-K269 IonicContact OD1-NZ 2.74Å; D190-K269 PolarHBondContact OD1-NZ 3.27Å; D190-K269 IonicContact OD2-NZ 2.8Å; D190-K269 PolarHBondContact OD2-NZ 2.92Å; C265-K269 PolarHBondContact O-N 2.9Å; G266-K269 WeakPolarHBondContact O-CB 3.21Å; G266-K269 PolarHBondContact O-N 3.27Å; G266-K269 VanDerWaalsContact O-N 3.1Å; S267-K269 VanDerWaalsContact C-N 3.27Å; S267-K269 PolarHBondContact O-N 2.79Å
270	D	41.9	Very low	46.6	Very low	138 Å²	138	73.6 Å²	73.6	74%	0.738	38%	0.375	S	S	*	.	H	α-helix	trans	-87	-18.6	-172.4	-56.4	-31.7	0	0	0	112.5	S267 W268	S267-D270 PolarHBondContact O-N 2.94Å; W268-D270 VanDerWaalsContact C-N 3.28Å
271	H	37.3	Very low	47.2	Very low	148 Å²	148	67.8 Å²	67.8	69%	0.685	35%	0.353	S	S	*	.	H	α-helix	trans	-106.3	-10.1	-170.1	-119.2	-56.1	0	0	0	116.1
272	M	34.9	Very low	48.3	Very low	137 Å²	137	69.7 Å²	69.7	68%	0.675	36%	0.359	S	S	*	.			trans	-155.5	136.6	179.4	-90.8	-161.6	122.3	0	0	116.1	N274	M272-N274 VanDerWaalsContact C-N 3.25Å; M272-N274 PolarHBondContact O-N 2.87Å; M272-N274 VanDerWaalsContact O-N 3.11Å
273	G	40.3	Very low	48.9	Very low	80 Å²	80	61.8 Å²	61.8	83%	0.825	33%	0.329	S	S	*	.	S	Bend	trans	-73.4	14	175.5	0	0	0	0	0	117.4
274	N	52.4	Low	49.3	Very low	94 Å²	94	56 Å²	56	50%	0.503	31%	0.309	S	S	.	.			trans	-122.7	59.9	-177.5	-101.2	-31	0	0	0	112.8	M272 S276 L277	M272-N274 VanDerWaalsContact C-N 3.25Å; M272-N274 PolarHBondContact O-N 2.87Å; M272-N274 VanDerWaalsContact O-N 3.11Å; N274-S276 PolarHBondContact O-N 2.86Å; N274-S276 VanDerWaalsContact O-N 3.09Å; N274-L277 HydrophobicContact CB-CD1 4.27Å; N274-L277 PolarHBondContact O-N 2.81Å
275	F	55.2	Low	49.7	Very low	53 Å²	53	56.4 Å²	56.4	23%	0.232	31%	0.31	C	S	.	.	H	α-helix	trans	-50.7	-34.8	178.2	-155	-110.1	0	0	0	112.4	L183 L277 V278 L279	L183-F275 HydrophobicContact CD1-CB 3.67Å; L183-F275 HydrophobicContact CD2-CB 4.2Å; L183-F275 HydrophobicContact CD2-CD1 4.33Å; F275-L277 PolarHBondContact O-N 3.33Å; F275-V278 WeakPolarHBondContact O-CB 3.33Å; F275-V278 PolarHBondContact O-N 3.08Å; F275-L279 HydrophobicContact CD1-CD1 3.66Å; F275-L279 HydrophobicContact CD1-CD2 4.29Å; F275-L279 HydrophobicContact CD1-CG 4.19Å; F275-L279 HydrophobicContact CE1-CD1 3.86Å; F275-L279 HydrophobicContact CE1-CD2 4.09Å; F275-L279 HydrophobicContact CE1-CG 4.38Å; F275-L279 VanDerWaalsContact O-CG 3.32Å; F275-L279 WeakPolarHBondContact O-CG 3.41Å; F275-L279 PolarHBondContact O-N 2.87Å
276	S	52.6	Low	50.3	Low	14 Å²	14	57.7 Å²	57.7	10%	0.098	32%	0.319	C	S	.	.	H	α-helix	trans	-55.5	-45.2	-178	133.8	0	0	0	0	112.7	L183 N274 V278 L279 K280	L183-S276 VanDerWaalsContact CG-CB 3.48Å; N274-S276 PolarHBondContact O-N 2.86Å; N274-S276 VanDerWaalsContact O-N 3.09Å; S276-V278 PolarHBondContact O-N 2.9Å; S276-L279 PolarHBondContact O-N 3.25Å; S276-L279 VanDerWaalsContact O-N 3.08Å; S276-K280 VanDerWaalsContact O-CG 3.29Å; S276-K280 WeakPolarHBondContact O-CG 3.2Å; S276-K280 PolarHBondContact O-N 3.43Å
277	L	54.8	Low	50.6	Low	52 Å²	52	60.6 Å²	60.6	27%	0.272	32%	0.32	S	S	.	.	H	α-helix	trans	-62.9	-45.1	-176.5	-68.5	173.1	0	0	0	110.7	N274 F275 L279 K280 L281	N274-L277 HydrophobicContact CB-CD1 4.27Å; N274-L277 PolarHBondContact O-N 2.81Å; F275-L277 PolarHBondContact O-N 3.33Å; L277-L279 PolarHBondContact O-N 2.93Å; L277-K280 HydrophobicContact CD2-CD 4.5Å; L277-K280 WeakPolarHBondContact O-CB 3.47Å; L277-K280 PolarHBondContact O-N 3.25Å; L277-K280 VanDerWaalsContact O-N 3.13Å; L277-L281 WeakPolarHBondContact O-CB 3.36Å; L277-L281 VanDerWaalsContact O-CD2 3.26Å; L277-L281 WeakPolarHBondContact O-CD2 3.25Å; L277-L281 WeakPolarHBondContact O-CG 3.33Å; L277-L281 PolarHBondContact O-N 3.11Å
278	V	58.4	Low	50.6	Low	14 Å²	14	61.3 Å²	61.3	9%	0.085	32%	0.318	C	S	.	.	H	α-helix	trans	-51.7	-40	174.6	-172.7	0	0	0	0	112.4	R236 W268 F275 S276 L281 R282	R236-V278 VanDerWaalsContact NH2-CG1 3.26Å; W268-V278 HydrophobicContact CE3-CG1 3.63Å; W268-V278 HydrophobicContact CZ3-CG1 3.9Å; F275-V278 WeakPolarHBondContact O-CB 3.33Å; F275-V278 PolarHBondContact O-N 3.08Å; S276-V278 PolarHBondContact O-N 2.9Å; V278-L281 WeakPolarHBondContact O-CB 3.38Å; V278-R282 PolarHBondContact O-N 3.38Å
279	L	59	Low	50.4	Low	4 Å²	4	65.8 Å²	65.8	2%	0.021	34%	0.34	C	S	.	.	H	α-helix	trans	-77.6	-39.1	-177.1	-49	-177.3	0	0	0	111	L183 W195 H198 L202 F275 S276 L277 L281 R282 E283	L183-L279 HydrophobicContact CD2-CD1 4.39Å; W195-L279 HydrophobicContact CE3-CD1 4.33Å; W195-L279 HydrophobicContact CE3-CD2 4.35Å; W195-L279 HydrophobicContact CH2-CB 3.8Å; W195-L279 HydrophobicContact CH2-CD1 4.3Å; W195-L279 HydrophobicContact CH2-CD2 3.59Å; W195-L279 HydrophobicContact CH2-CG 3.98Å; W195-L279 HydrophobicContact CZ3-CB 3.9Å; W195-L279 HydrophobicContact CZ3-CD1 3.52Å; W195-L279 HydrophobicContact CZ3-CD2 3.19Å; W195-L279 HydrophobicContact CZ3-CG 3.59Å; H198-L279 WeakPolarHBondContact CD2-CD1 3.16Å; L202-L279 WeakPolarHBondContact CD2-O 3.47Å; F275-L279 HydrophobicContact CD1-CD1 3.66Å; F275-L279 HydrophobicContact CD1-CD2 4.29Å; F275-L279 HydrophobicContact CD1-CG 4.19Å; F275-L279 HydrophobicContact CE1-CD1 3.86Å; F275-L279 HydrophobicContact CE1-CD2 4.09Å; F275-L279 HydrophobicContact CE1-CG 4.38Å; F275-L279 VanDerWaalsContact O-CG 3.32Å; F275-L279 WeakPolarHBondContact O-CG 3.41Å; F275-L279 PolarHBondContact O-N 2.87Å; S276-L279 PolarHBondContact O-N 3.25Å; S276-L279 VanDerWaalsContact O-N 3.08Å; L277-L279 PolarHBondContact O-N 2.93Å; L279-L281 VanDerWaalsContact C-N 3.31Å; L279-L281 PolarHBondContact O-N 3.32Å; L279-R282 PolarHBondContact O-N 2.79Å; L279-E283 PolarHBondContact O-N 2.88Å; L279-E283 VanDerWaalsContact O-N 3.07Å
280	K	58.1	Low	49.9	Very low	13 Å²	13	69.6 Å²	69.6	6%	0.057	36%	0.358	C	S	.	.	H	α-helix	trans	-56.8	-45.4	170	-64	-177.2	170.7	-154.5	0	111	T181 L202 E205 Y225 F229 S276 L277 F284	T181-K280 PolarHBondContact O-NZ 3.23Å; T181-K280 WeakPolarHBondContact OG1-CE 3.33Å; T181-K280 PolarHBondContact OG1-NZ 3.29Å; T181-K280 VanDerWaalsContact OG1-NZ 3.09Å; L202-K280 HydrophobicContact CD1-CB 4.21Å; L202-K280 HydrophobicContact CD1-CG 3.68Å; L202-K280 HydrophobicContact CD2-CG 4.36Å; E205-K280 IonicContact OE1-NZ 2.89Å; E205-K280 PolarHBondContact OE1-NZ 2.94Å; E205-K280 IonicContact OE2-NZ 2.89Å; E205-K280 PolarHBondContact OE2-NZ 3.49Å; Y225-K280 WeakPolarHBondContact OH-CD 3.35Å; Y225-K280 PolarHBondContact OH-NZ 2.91Å; F229-K280 HydrophobicContact CD2-CB 4.42Å; F229-K280 HydrophobicContact CE2-CB 3.6Å; F229-K280 HydrophobicContact CZ-CB 4.48Å; S276-K280 VanDerWaalsContact O-CG 3.29Å; S276-K280 WeakPolarHBondContact O-CG 3.2Å; S276-K280 PolarHBondContact O-N 3.43Å; L277-K280 HydrophobicContact CD2-CD 4.5Å; L277-K280 WeakPolarHBondContact O-CB 3.47Å; L277-K280 PolarHBondContact O-N 3.25Å; L277-K280 VanDerWaalsContact O-N 3.13Å; K280-F284 VanDerWaalsContact O-CB 3.26Å; K280-F284 WeakPolarHBondContact O-CB 3.25Å; K280-F284 PolarHBondContact O-N 2.78Å; K280-F284 VanDerWaalsContact O-N 3.08Å
281	L	56.2	Low	49.4	Very low	5 Å²	5	73.6 Å²	73.6	3%	0.026	36%	0.362	C	S	.	.	H	α-helix	trans	-57.1	-53.1	175.5	-60.2	-149.7	0	0	0	111.6	F229 W233 L277 V278 L279 E283 F284 V285	F229-L281 HydrophobicContact CD1-CD2 4.24Å; F229-L281 HydrophobicContact CD2-CD2 3.5Å; F229-L281 HydrophobicContact CE1-CD2 3.93Å; F229-L281 HydrophobicContact CE2-CD2 3.12Å; F229-L281 HydrophobicContact CE2-CG 4.35Å; F229-L281 HydrophobicContact CG-CD2 4.08Å; F229-L281 HydrophobicContact CZ-CB 4.42Å; F229-L281 HydrophobicContact CZ-CD2 3.41Å; F229-L281 VanDerWaalsContact CZ-CD2 3.41Å; F229-L281 HydrophobicContact CZ-CG 4.44Å; W233-L281 HydrophobicContact CB-CD1 4.5Å; W233-L281 VanDerWaalsContact CD1-CD1 3.46Å; W233-L281 HydrophobicContact CD2-CD1 3.8Å; W233-L281 HydrophobicContact CD2-CG 4.49Å; W233-L281 HydrophobicContact CG-CD1 3.68Å; W233-L281 HydrophobicContact CG-CD2 4.08Å; W233-L281 HydrophobicContact CG-CG 4.34Å; W233-L281 HydrophobicContact CZ2-CB 3.5Å; W233-L281 HydrophobicContact CZ2-CD1 4.08Å; W233-L281 HydrophobicContact CZ2-CG 4.24Å; W233-L281 VanDerWaalsContact NE1-CB 3.32Å; W233-L281 VanDerWaalsContact NE1-CG 3.29Å; L277-L281 WeakPolarHBondContact O-CB 3.36Å; L277-L281 VanDerWaalsContact O-CD2 3.26Å; L277-L281 WeakPolarHBondContact O-CD2 3.25Å; L277-L281 WeakPolarHBondContact O-CG 3.33Å; L277-L281 PolarHBondContact O-N 3.11Å; V278-L281 WeakPolarHBondContact O-CB 3.38Å; L279-L281 VanDerWaalsContact C-N 3.31Å; L279-L281 PolarHBondContact O-N 3.32Å; L281-E283 PolarHBondContact O-N 2.99Å; L281-F284 PolarHBondContact O-N 2.87Å; L281-V285 PolarHBondContact O-N 3.46Å
282	R	62.1	Low	49	Very low	82 Å²	82	77.6 Å²	77.6	31%	0.309	37%	0.372	S	S	.	.	H	α-helix	trans	-59.1	-47.9	-178.2	174.9	-178.4	157.3	-173.8	-2.6	112.8	W195 F261 V278 L279 S286	W195-R282 VanDerWaalsContact CE2-NH2 3.27Å; W195-R282 VanDerWaalsContact CH2-NH1 3.35Å; W195-R282 VanDerWaalsContact CZ2-NE 3.34Å; F261-R282 HydrophobicContact CE1-CB 3.95Å; F261-R282 HydrophobicContact CE1-CG 3.82Å; F261-R282 HydrophobicContact CZ-CB 4.04Å; F261-R282 HydrophobicContact CZ-CG 4.24Å; V278-R282 PolarHBondContact O-N 3.38Å; L279-R282 PolarHBondContact O-N 2.79Å; R282-S286 PolarHBondContact O-N 3.36Å; R282-S286 VanDerWaalsContact O-N 3.08Å
283	E	58.4	Low	48.9	Very low	7 Å²	7	83.4 Å²	83.4	3%	0.033	39%	0.393	C	S	.	.	H	α-helix	trans	-70.6	-37.7	-177.9	-163.4	67.9	-169.7	0	0	111.3	R199 L202 L206 L279 L281 S286 R287	R199-E283 IonicContact CZ-OE1 3.56Å; R199-E283 IonicContact CZ-OE2 3.98Å; R199-E283 VanDerWaalsContact NE-CD 3.29Å; R199-E283 IonicContact NE-OE1 2.72Å; R199-E283 PolarHBondContact NE-OE1 2.81Å; R199-E283 IonicContact NE-OE2 2.96Å; R199-E283 PolarHBondContact NE-OE2 2.9Å; R199-E283 IonicContact NH2-OE1 2.79Å; R199-E283 PolarHBondContact NH2-OE1 3.42Å; R199-E283 VanDerWaalsContact NH2-OE1 3.17Å; R199-E283 IonicContact NH2-OE2 3.37Å; L202-E283 HydrophobicContact CD2-CB 3.41Å; L202-E283 VanDerWaalsContact CD2-CB 3.41Å; L202-E283 HydrophobicContact CD2-CG 4.07Å; L202-E283 HydrophobicContact CG-CB 4.11Å; L202-E283 HydrophobicContact CG-CG 4.34Å; L206-E283 HydrophobicContact CD1-CB 4.47Å; L206-E283 HydrophobicContact CD1-CG 4.18Å; L279-E283 PolarHBondContact O-N 2.88Å; L279-E283 VanDerWaalsContact O-N 3.07Å; L281-E283 PolarHBondContact O-N 2.99Å; E283-S286 PolarHBondContact O-N 3.11Å; E283-S286 PolarHBondContact O-OG 3.2Å; E283-R287 PolarHBondContact O-N 3.35Å
284	F	54.5	Low	49.3	Very low	49 Å²	49	83.6 Å²	83.6	22%	0.215	37%	0.371	C	S	.	.	H	α-helix	trans	-60.9	-45.9	175.7	-174.9	-109.1	0	0	0	111.8	L206 F226 F229 K280 L281 S286 R287 L288	L206-F284 HydrophobicContact CD2-CD2 4.34Å; F226-F284 HydrophobicContact CD1-CZ 4.43Å; F226-F284 AromaticContact CE1-CE2 3.69Å; F226-F284 HydrophobicContact CE1-CE2 3.69Å; F226-F284 AromaticContact CE1-CZ 3.65Å; F226-F284 HydrophobicContact CE1-CZ 3.65Å; F226-F284 HydrophobicContact CZ-CE2 4.3Å; F229-F284 HydrophobicContact CE1-CB 4.16Å; F229-F284 AromaticContact CE1-CD1 3.56Å; F229-F284 HydrophobicContact CE1-CD1 3.56Å; F229-F284 HydrophobicContact CE1-CE1 4.07Å; F229-F284 AromaticContact CE1-CG 3.93Å; F229-F284 HydrophobicContact CE1-CG 3.93Å; F229-F284 HydrophobicContact CZ-CB 3.75Å; F229-F284 HydrophobicContact CZ-CD1 4.05Å; F229-F284 HydrophobicContact CZ-CG 4Å; K280-F284 VanDerWaalsContact O-CB 3.26Å; K280-F284 WeakPolarHBondContact O-CB 3.25Å; K280-F284 PolarHBondContact O-N 2.78Å; K280-F284 VanDerWaalsContact O-N 3.08Å; L281-F284 PolarHBondContact O-N 2.87Å; F284-S286 PolarHBondContact O-N 3.43Å; F284-R287 CarbonylContact O-C 3.5Å; F284-R287 PolarHBondContact O-N 3.25Å; F284-L288 HydrophobicContact CD1-CD1 3.56Å; F284-L288 HydrophobicContact CD1-CG 4.19Å; F284-L288 HydrophobicContact CE1-CD1 3.17Å; F284-L288 HydrophobicContact CE1-CD2 4.48Å; F284-L288 HydrophobicContact CE1-CG 3.84Å; F284-L288 HydrophobicContact CZ-CD1 3.82Å; F284-L288 HydrophobicContact CZ-CD2 4.33Å; F284-L288 HydrophobicContact CZ-CG 4.04Å; F284-L288 PolarHBondContact O-N 3.03Å
285	V	54.3	Low	49.2	Very low	29 Å²	29	83.1 Å²	83.1	18%	0.176	36%	0.364	C	S	.	.	H	α-helix	trans	-66.7	-35.1	177.3	167.3	0	0	0	0	113.1	W233 L281 R287 L288 H289	W233-V285 HydrophobicContact CH2-CB 4.34Å; W233-V285 HydrophobicContact CH2-CG2 3.3Å; W233-V285 HydrophobicContact CZ2-CB 4.32Å; W233-V285 HydrophobicContact CZ2-CG2 3.24Å; W233-V285 HydrophobicContact CZ3-CG2 4.19Å; L281-V285 PolarHBondContact O-N 3.46Å; V285-R287 PolarHBondContact O-N 3.17Å; V285-R287 VanDerWaalsContact O-N 3.14Å; V285-L288 PolarHBondContact O-N 3.34Å; V285-H289 PolarHBondContact O-N 3.11Å
286	S	54.8	Low	48.8	Very low	52 Å²	52	84.7 Å²	84.7	36%	0.364	37%	0.372	S	S	.	.	H	α-helix	trans	-60.4	-23.9	173	78.4	0	0	0	0	113	R282 E283 F284	R282-S286 PolarHBondContact O-N 3.36Å; R282-S286 VanDerWaalsContact O-N 3.08Å; E283-S286 PolarHBondContact O-N 3.11Å; E283-S286 PolarHBondContact O-OG 3.2Å; F284-S286 PolarHBondContact O-N 3.43Å
287	R	50.3	Low	48.6	Very low	94 Å²	94	88.9 Å²	88.9	36%	0.355	39%	0.388	S	S	.	.	H	α-helix	trans	-94.9	-32.8	176.1	-72	-176.7	169	-123.8	-3.9	113.6	E283 F284 V285 H289 F290 W291	E283-R287 PolarHBondContact O-N 3.35Å; F284-R287 CarbonylContact O-C 3.5Å; F284-R287 PolarHBondContact O-N 3.25Å; V285-R287 PolarHBondContact O-N 3.17Å; V285-R287 VanDerWaalsContact O-N 3.14Å; R287-H289 VanDerWaalsContact C-N 3.28Å; R287-H289 PolarHBondContact O-N 3.32Å; R287-F290 WeakPolarHBondContact O-CA 3.4Å; R287-F290 WeakPolarHBondContact O-CB 3.35Å; R287-F290 PolarHBondContact O-N 3.38Å; R287-W291 PolarHBondContact O-N 3Å
288	L	45	Very low	48.2	Very low	77 Å²	77	91.2 Å²	91.2	40%	0.403	40%	0.395	S	S	.	.	H	α-helix	trans	-64.8	-31.7	171.2	-82.4	173.6	0	0	0	112.3	F284 V285 F290 W291	F284-L288 HydrophobicContact CD1-CD1 3.56Å; F284-L288 HydrophobicContact CD1-CG 4.19Å; F284-L288 HydrophobicContact CE1-CD1 3.17Å; F284-L288 HydrophobicContact CE1-CD2 4.48Å; F284-L288 HydrophobicContact CE1-CG 3.84Å; F284-L288 HydrophobicContact CZ-CD1 3.82Å; F284-L288 HydrophobicContact CZ-CD2 4.33Å; F284-L288 HydrophobicContact CZ-CG 4.04Å; F284-L288 PolarHBondContact O-N 3.03Å; V285-L288 PolarHBondContact O-N 3.34Å; L288-F290 PolarHBondContact O-N 2.9Å; L288-W291 HydrophobicContact CD2-CG 4.47Å; L288-W291 VanDerWaalsContact O-CB 3.31Å; L288-W291 WeakPolarHBondContact O-CB 3.12Å; L288-W291 PolarHBondContact O-N 3.07Å
289	H	37.3	Very low	47.5	Very low	140 Å²	140	96.3 Å²	96.3	65%	0.648	42%	0.416	S	S	*	.	T	Hydrogen-bonded Turn	trans	-64.7	-17.6	170.1	-104.7	-71.9	0	0	0	113.3	V285 R287	V285-H289 PolarHBondContact O-N 3.11Å; R287-H289 VanDerWaalsContact C-N 3.28Å; R287-H289 PolarHBondContact O-N 3.32Å
290	F	29.7	Very low	46.7	Very low	180 Å²	180	102.9 Å²	102.9	79%	0.789	44%	0.444	S	S	*	.	T	Hydrogen-bonded Turn	trans	-87.2	-11.9	171.8	-130.2	-83.6	0	0	0	112.9	R287 L288 R292	R287-F290 WeakPolarHBondContact O-CA 3.4Å; R287-F290 WeakPolarHBondContact O-CB 3.35Å; R287-F290 PolarHBondContact O-N 3.38Å; L288-F290 PolarHBondContact O-N 2.9Å; F290-R292 VanDerWaalsContact C-N 3.29Å
291	W	32.6	Very low	45.8	Very low	221 Å²	221	109.8 Å²	109.8	84%	0.837	47%	0.474	S	S	*	.	S	Bend	trans	-83.3	-4.7	173.4	-88.2	63.4	0	0	0	113.2	R287 L288	R287-W291 PolarHBondContact O-N 3Å; L288-W291 HydrophobicContact CD2-CG 4.47Å; L288-W291 VanDerWaalsContact O-CB 3.31Å; L288-W291 WeakPolarHBondContact O-CB 3.12Å; L288-W291 PolarHBondContact O-N 3.07Å
292	R	29	Very low	45	Very low	233 Å²	233	118.6 Å²	118.6	88%	0.879	51%	0.511	S	S	*	.			trans	-114.7	28.4	-173.2	-132.2	-178.9	-166.3	-174.9	1.3	113.3	F290	F290-R292 VanDerWaalsContact C-N 3.29Å
293	K	31.7	Very low	43.4	Very low	259 Å²	259	121.9 Å²	121.9	100%	1.126	53%	0.53	S	S	*	.			trans	-136.2	0	170.5	-143.6	-173.2	-172.3	-167.2	0	110.3

Retrieved 293 of 293 residues in 52 ms (Link to these results)

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