A0A090KKK5_HUMAN Loading...

HLA class I antigen

AlphaFold DB , UniProt , Accession A0A090KKK5, Species HUMAN (Homo sapiens, Human), Gene HLA-A, Length 337 aa.

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(Predicted Aligned Error values between residue pairs)

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Site	Residue	pLDDT	pLDDT confidence	pLDDT₁₀	pLDDT10 confidence	SASA	SASA [Å²]	SASA₁₀	SASA10 [Å²]	RSA	RSA unformatted	RSA₁₀	RSA10 unformatted	Surface	Surface10 (not used)	Disorder (not used)	Disorder	Sec. str.	Secondary structure	Isomer	Phi (φ)	Psi (ψ)	Omega (ω)	Chi 1 (χ₁)	Chi 2 (χ₂)	Chi 3 (χ₃)	Chi 4 (χ₄)	Chi 5 (χ₅)	Tau (τ)	Contacts (colored by PAE)	Contact details
1	M	34.7	Very low	42.4	Very low	241 Å²	241	129.5 Å²	129.5	100%	1.187	71%	0.706	S	S	*	*				0	94	0	-111.6	175.4	-79.6	0	0	107.3
2	A	36.3	Very low	42.5	Very low	99 Å²	99	129.1 Å²	129.1	82%	0.818	70%	0.701	S	S	*	*			trans	-84.6	111.1	173.6	0	0	0	0	0	107.1	M4	A2-M4 PolarHBondContact O-N 3.18Å
3	V	39.2	Very low	42.2	Very low	139 Å²	139	126.8 Å²	126.8	84%	0.842	69%	0.687	S	S	*	*			trans	-71.4	100.5	175.3	179.6	0	0	0	0	106.9	A5	V3-A5 PolarHBondContact O-N 3.17Å; V3-A5 VanDerWaalsContact O-N 3.15Å
4	M	39.9	Very low	42.2	Very low	178 Å²	178	122.4 Å²	122.4	88%	0.877	67%	0.671	S	S	*	*			trans	-66.9	106.9	168	-106.7	177.7	-67.9	0	0	107.7	A2	A2-M4 PolarHBondContact O-N 3.18Å
5	A	43.5	Very low	42.3	Very low	51 Å²	51	116.4 Å²	116.4	42%	0.421	65%	0.648	S	S	.	*			trans	-59.8	139.7	166.9	0	0	0	0	0	109	V3 R7 L10	V3-A5 PolarHBondContact O-N 3.17Å; V3-A5 VanDerWaalsContact O-N 3.15Å; A5-R7 PolarHBondContact O-N 2.77Å; A5-L10 HydrophobicContact CB-CD1 3.98Å
6	P	45.5	Very low	42.3	Very low	77 Å²	77	112.4 Å²	112.4	50%	0.5	64%	0.635	S	S	.	*			trans	-60.5	131.4	-178.9	-15.8	27.9	0	0	0	109.7	T8 L9 L10	P6-T8 PolarHBondContact O-N 2.98Å; P6-L9 HydrophobicContact CB-CB 4.48Å; P6-L9 WeakPolarHBondContact O-CB 3.49Å; P6-L9 PolarHBondContact O-N 2.62Å; P6-L10 PolarHBondContact O-N 2.7Å
7	R	45.6	Very low	41.8	Very low	219 Å²	219	112.3 Å²	112.3	83%	0.826	63%	0.632	S	S	*	*	H	α-helix	trans	-51.8	-28.6	177.5	-89.8	177.8	160.2	146.5	-5.7	113.3	A5 L11	A5-R7 PolarHBondContact O-N 2.77Å; R7-L11 WeakPolarHBondContact O-CG 3.33Å; R7-L11 PolarHBondContact O-N 3.47Å; R7-L11 VanDerWaalsContact O-N 3.1Å
8	T	48.6	Very low	41.5	Very low	99 Å²	99	109.1 Å²	109.1	61%	0.607	62%	0.622	S	S	*	*	H	α-helix	trans	-66.7	-36.6	173.2	23.9	0	0	0	0	113.5	P6 L11 L12	P6-T8 PolarHBondContact O-N 2.98Å; T8-L11 PolarHBondContact O-N 2.67Å; T8-L12 WeakPolarHBondContact O-CG 3.34Å; T8-L12 PolarHBondContact O-N 2.94Å
9	L	41.7	Very low	41.4	Very low	95 Å²	95	107.9 Å²	107.9	50%	0.497	61%	0.613	S	S	.	*	H	α-helix	trans	-69.8	-38.5	177.3	-151.2	84.7	0	0	0	111.1	P6 L13	P6-L9 HydrophobicContact CB-CB 4.48Å; P6-L9 WeakPolarHBondContact O-CB 3.49Å; P6-L9 PolarHBondContact O-N 2.62Å; L9-L13 HydrophobicContact CG-CD1 4.49Å; L9-L13 WeakPolarHBondContact O-CB 3.36Å; L9-L13 WeakPolarHBondContact O-CD1 3.49Å; L9-L13 WeakPolarHBondContact O-CG 3.49Å; L9-L13 PolarHBondContact O-N 3.06Å
10	L	42.4	Very low	41.2	Very low	102 Å²	102	107.1 Å²	107.1	53%	0.534	61%	0.61	S	S	.	*	H	α-helix	trans	-66.2	-39	174	-98.1	117.1	0	0	0	112.4	A5 P6 L13 S14	A5-L10 HydrophobicContact CB-CD1 3.98Å; P6-L10 PolarHBondContact O-N 2.7Å; L10-L13 PolarHBondContact O-N 2.88Å; L10-S14 WeakPolarHBondContact O-CB 3.37Å; L10-S14 PolarHBondContact O-N 3.04Å; L10-S14 PolarHBondContact O-OG 3.3Å
11	L	48.9	Very low	40.9	Very low	124 Å²	124	109.7 Å²	109.7	65%	0.649	62%	0.617	S	S	*	*	H	α-helix	trans	-68.1	-39.6	176.6	-75	165	0	0	0	112.4	R7 T8 S14 G15	R7-L11 WeakPolarHBondContact O-CG 3.33Å; R7-L11 PolarHBondContact O-N 3.47Å; R7-L11 VanDerWaalsContact O-N 3.1Å; T8-L11 PolarHBondContact O-N 2.67Å; L11-S14 PolarHBondContact O-N 2.9Å; L11-G15 PolarHBondContact O-N 2.92Å
12	L	44.1	Very low	41.2	Very low	125 Å²	125	102.9 Å²	102.9	65%	0.654	59%	0.59	S	S	*	*	H	α-helix	trans	-65.7	-40.3	174.2	-77	165.2	0	0	0	112.3	T8 S14 G15 A16	T8-L12 WeakPolarHBondContact O-CG 3.34Å; T8-L12 PolarHBondContact O-N 2.94Å; L12-S14 VanDerWaalsContact C-N 3.34Å; L12-G15 PolarHBondContact O-N 3.01Å; L12-A16 VanDerWaalsContact O-CB 3.28Å; L12-A16 WeakPolarHBondContact O-CB 3.08Å; L12-A16 PolarHBondContact O-N 2.94Å
13	L	38.4	Very low	41.7	Very low	99 Å²	99	101.1 Å²	101.1	52%	0.518	56%	0.562	S	S	.	*	H	α-helix	trans	-67.2	-34.4	173.5	-78.6	160.2	0	0	0	112.1	L9 L10 L17	L9-L13 HydrophobicContact CG-CD1 4.49Å; L9-L13 WeakPolarHBondContact O-CB 3.36Å; L9-L13 WeakPolarHBondContact O-CD1 3.49Å; L9-L13 WeakPolarHBondContact O-CG 3.49Å; L9-L13 PolarHBondContact O-N 3.06Å; L10-L13 PolarHBondContact O-N 2.88Å; L13-L17 VanDerWaalsContact O-CB 3.22Å; L13-L17 WeakPolarHBondContact O-CB 3.34Å; L13-L17 WeakPolarHBondContact O-CD1 3.47Å; L13-L17 VanDerWaalsContact O-CG 3.27Å; L13-L17 WeakPolarHBondContact O-CG 3.5Å; L13-L17 PolarHBondContact O-N 3.24Å
14	S	42.3	Very low	42.3	Very low	66 Å²	66	97.3 Å²	97.3	46%	0.462	54%	0.544	S	S	.	.	H	α-helix	trans	-70.2	-40.7	175.7	-52.6	0	0	0	0	111.8	L10 L11 L12 A18	L10-S14 WeakPolarHBondContact O-CB 3.37Å; L10-S14 PolarHBondContact O-N 3.04Å; L10-S14 PolarHBondContact O-OG 3.3Å; L11-S14 PolarHBondContact O-N 2.9Å; L12-S14 VanDerWaalsContact C-N 3.34Å; S14-A18 WeakPolarHBondContact O-CB 3.49Å; S14-A18 PolarHBondContact O-N 2.89Å
15	G	43.2	Very low	43.6	Very low	32 Å²	32	89.8 Å²	89.8	33%	0.33	51%	0.513	S	S	.	.	H	α-helix	trans	-64.3	-46.7	173	0	0	0	0	0	111.5	L11 L12 A18 L19	L11-G15 PolarHBondContact O-N 2.92Å; L12-G15 PolarHBondContact O-N 3.01Å; G15-A18 PolarHBondContact O-N 3.02Å; G15-L19 VanDerWaalsContact O-CB 3.27Å; G15-L19 WeakPolarHBondContact O-CB 3.24Å; G15-L19 WeakPolarHBondContact O-CD1 3.4Å; G15-L19 PolarHBondContact O-N 3.08Å
16	A	41.8	Very low	45.5	Very low	53 Å²	53	90.9 Å²	90.9	44%	0.438	52%	0.518	S	S	.	.	H	α-helix	trans	-64.3	-39.6	176.5	0	0	0	0	0	112.8	L12 L19 T20	L12-A16 VanDerWaalsContact O-CB 3.28Å; L12-A16 WeakPolarHBondContact O-CB 3.08Å; L12-A16 PolarHBondContact O-N 2.94Å; A16-L19 PolarHBondContact O-N 3.22Å; A16-T20 WeakPolarHBondContact O-CG2 3.27Å; A16-T20 PolarHBondContact O-N 3.06Å; A16-T20 PolarHBondContact O-OG1 3.25Å; A16-T20 VanDerWaalsContact O-OG1 3.13Å
17	L	34.8	Very low	47.6	Very low	110 Å²	110	88.8 Å²	88.8	58%	0.576	50%	0.501	S	S	*	.	H	α-helix	trans	-70.2	-41.5	177	-79.9	163	0	0	0	112.3	L13 L19 T20 Q21	L13-L17 VanDerWaalsContact O-CB 3.22Å; L13-L17 WeakPolarHBondContact O-CB 3.34Å; L13-L17 WeakPolarHBondContact O-CD1 3.47Å; L13-L17 VanDerWaalsContact O-CG 3.27Å; L13-L17 WeakPolarHBondContact O-CG 3.5Å; L13-L17 PolarHBondContact O-N 3.24Å; L17-L19 VanDerWaalsContact C-N 3.33Å; L17-T20 WeakPolarHBondContact CA-OG1 3.39Å; L17-T20 PolarHBondContact O-N 3.44Å; L17-T20 PolarHBondContact O-OG1 2.87Å; L17-Q21 PolarHBondContact O-N 3.01Å
18	A	36.3	Very low	49.9	Very low	55 Å²	55	79.6 Å²	79.6	46%	0.455	47%	0.47	S	S	.	.	H	α-helix	trans	-62.8	-40.6	173.5	0	0	0	0	0	111.3	S14 G15 Q21 T22	S14-A18 WeakPolarHBondContact O-CB 3.49Å; S14-A18 PolarHBondContact O-N 2.89Å; G15-A18 PolarHBondContact O-N 3.02Å; A18-Q21 PolarHBondContact O-N 3.22Å; A18-T22 WeakPolarHBondContact O-CG2 3.14Å; A18-T22 PolarHBondContact O-N 2.68Å
19	L	38.6	Very low	52.1	Low	86 Å²	86	75 Å²	75	45%	0.45	44%	0.442	S	S	.	.	H	α-helix	trans	-68.4	-40.7	173.6	-88.8	142	0	0	0	112.1	G15 A16 L17 Q21 T22	G15-L19 VanDerWaalsContact O-CB 3.27Å; G15-L19 WeakPolarHBondContact O-CB 3.24Å; G15-L19 WeakPolarHBondContact O-CD1 3.4Å; G15-L19 PolarHBondContact O-N 3.08Å; A16-L19 PolarHBondContact O-N 3.22Å; L17-L19 VanDerWaalsContact C-N 3.33Å; L19-Q21 PolarHBondContact O-N 2.88Å; L19-T22 PolarHBondContact O-N 2.99Å; L19-T22 PolarHBondContact O-OG1 2.86Å
20	T	37.9	Very low	54.7	Low	92 Å²	92	72.8 Å²	72.8	56%	0.564	43%	0.427	S	S	*	.	H	α-helix	trans	-67.1	-26.9	175.8	52.2	0	0	0	0	112.9	A16 L17	A16-T20 WeakPolarHBondContact O-CG2 3.27Å; A16-T20 PolarHBondContact O-N 3.06Å; A16-T20 PolarHBondContact O-OG1 3.25Å; A16-T20 VanDerWaalsContact O-OG1 3.13Å; L17-T20 WeakPolarHBondContact CA-OG1 3.39Å; L17-T20 PolarHBondContact O-N 3.44Å; L17-T20 PolarHBondContact O-OG1 2.87Å
21	Q	35.5	Very low	57.4	Low	161 Å²	161	68.4 Å²	68.4	75%	0.752	40%	0.403	S	S	*	.	H	α-helix	trans	-74.4	-25.7	174.2	-99.3	179.3	-16.4	0	0	113.4	L17 A18 L19 W23	L17-Q21 PolarHBondContact O-N 3.01Å; A18-Q21 PolarHBondContact O-N 3.22Å; L19-Q21 PolarHBondContact O-N 2.88Å; Q21-W23 VanDerWaalsContact C-N 3.33Å
22	T	41	Very low	59.7	Low	99 Å²	99	66.4 Å²	66.4	61%	0.607	39%	0.39	S	S	*	.	H	α-helix	trans	-79.4	-13.8	177.8	54.5	0	0	0	0	113.9	A18 L19	A18-T22 WeakPolarHBondContact O-CG2 3.14Å; A18-T22 PolarHBondContact O-N 2.68Å; L19-T22 PolarHBondContact O-N 2.99Å; L19-T22 PolarHBondContact O-OG1 2.86Å
23	W	47.1	Very low	62.3	Low	62 Å²	62	60.5 Å²	60.5	24%	0.235	36%	0.359	C	S	.	.	S	Bend	trans	-107.1	-0.3	-178.7	-68.4	72.8	0	0	0	113.7	Q21 G25 Q286 E288	Q21-W23 VanDerWaalsContact C-N 3.33Å; W23-G25 PolarHBondContact O-N 3.34Å; W23-G25 VanDerWaalsContact O-N 3.08Å; W23-Q286 HydrophobicContact CZ2-CB 4.34Å; W23-E288 HydrophobicContact CE3-CB 3.33Å; W23-E288 HydrophobicContact CE3-CG 3.83Å; W23-E288 VanDerWaalsContact CE3-N 3.31Å; W23-E288 VanDerWaalsContact CZ3-CA 3.42Å; W23-E288 HydrophobicContact CZ3-CB 3.55Å
24	A	50.8	Low	65.2	Low	58 Å²	58	58 Å²	58	48%	0.479	35%	0.347	S	S	.	.	S	Bend	trans	-77.2	93.5	166.5	0	0	0	0	0	108.8	S26 P129	A24-S26 PolarHBondContact O-N 3.17Å; A24-P129 HydrophobicContact CB-CG 4.38Å; A24-P129 WeakPolarHBondContact O-CG 3.16Å
25	G	68.3	Low	67.9	Low	21 Å²	21	55 Å²	55	22%	0.216	33%	0.326	C	S	.	.			trans	31.2	50.9	152.4	0	0	0	0	0	120	W23 H27 P129	W23-G25 PolarHBondContact O-N 3.34Å; W23-G25 VanDerWaalsContact O-N 3.08Å; G25-H27 PolarHBondContact O-CD2 2.82Å; G25-P129 WeakPolarHBondContact O-CA 3.02Å
26	S	83	Confident	70.5	Confident	74 Å²	74	55.9 Å²	55.9	52%	0.517	33%	0.325	S	S	.	.			trans	-76	140.1	159	61.7	0	0	0	0	109	A24 V127	A24-S26 PolarHBondContact O-N 3.17Å; S26-V127 WeakPolarHBondContact CA-O 3.41Å
27	H	89.4	Confident	73.2	Confident	33 Å²	33	54.1 Å²	54.1	15%	0.153	31%	0.31	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-126	160.1	-179.8	-66.4	-86.9	0	0	0	110.7	G25 D53 D126 V127 F192	G25-H27 PolarHBondContact O-CD2 2.82Å; H27-D53 WeakPolarHBondContact CA-OD1 3.44Å; H27-D53 WeakPolarHBondContact CB-OD1 3.22Å; H27-D53 IonicContact CE1-OD2 3.01Å; H27-D53 IonicContact CG-OD1 2.84Å; H27-D53 IonicContact CG-OD2 3.7Å; H27-D53 IonicContact ND1-OD1 2.73Å; H27-D53 IonicContact ND1-OD2 2.67Å; H27-D53 PolarHBondContact ND1-OD2 2.95Å; H27-D126 CarbonylContact O-C 3.58Å; H27-D126 WeakPolarHBondContact O-CA 3.42Å; H27-V127 HydrophobicContact CB-CG2 4.23Å; H27-V127 PolarHBondContact N-O 3.01Å; H27-V127 PolarHBondContact O-N 3Å; H27-F192 HydrophobicContact CB-CE1 4.11Å; H27-F192 HydrophobicContact CB-CE2 3.5Å; H27-F192 VanDerWaalsContact CB-CE2 3.5Å; H27-F192 HydrophobicContact CB-CZ 3.08Å; H27-F192 AromaticContact CG-CZ 3.69Å
28	S	93.2	Very high	76.1	Confident	25 Å²	25	52.5 Å²	52.5	18%	0.175	30%	0.296	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-134	147.7	-179.9	68.8	0	0	0	0	112.1	V52 D53 C125 D126	S28-V52 CarbonylContact O-C 3.55Å; S28-V52 WeakPolarHBondContact O-CA 3.45Å; S28-D53 PolarHBondContact N-OD1 2.75Å; S28-D53 PolarHBondContact O-N 3.48Å; S28-C125 WeakPolarHBondContact CA-O 3.35Å; S28-D126 WeakPolarHBondContact CB-OD1 3.45Å
29	M	95.5	Very high	78.8	Confident	2 Å²	2	52.3 Å²	52.3	1%	0.01	29%	0.29	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-119.9	124.1	165.4	-172.7	169.2	62.9	0	0	108.8	Y31 Y51 V52 F57 G124 C125 C188 F192 Y195	M29-Y31 HydrophobicContact CE-CE2 4.28Å; M29-Y31 HydrophobicContact CG-CE2 4.18Å; M29-Y31 HydrophobicContact SD-CE2 4.19Å; M29-Y51 WeakPolarHBondContact CA-O 3.47Å; M29-V52 HydrophobicContact CG-CG2 4.28Å; M29-F57 HydrophobicContact CG-CE1 4.48Å; M29-F57 HydrophobicContact SD-CZ 4.31Å; M29-G124 CarbonylContact O-C 3.57Å; M29-G124 WeakPolarHBondContact O-CA 3.34Å; M29-C125 PolarHBondContact N-O 3.18Å; M29-C125 PolarHBondContact O-N 2.93Å; M29-C188 HydrophobicContact CE-CB 4.13Å; M29-C188 WeakPolarHBondContact CE-O 3.42Å; M29-C188 WeakPolarHBondContact CE-SG 3.17Å; M29-F192 HydrophobicContact CB-CB 4.45Å; M29-F192 HydrophobicContact CB-CD2 4.04Å; M29-F192 HydrophobicContact CE-CB 4.31Å; M29-F192 HydrophobicContact SD-CB 4.44Å; M29-Y195 HydrophobicContact SD-CD2 3.69Å; M29-Y195 HydrophobicContact SD-CE2 3.67Å
30	R	96.9	Very high	81.3	Confident	50 Å²	50	52.6 Å²	52.6	19%	0.189	31%	0.314	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-131.1	136.6	-175.5	-56.4	-64	179	80.1	2.5	110.8	F32 G50 Y51 D126 Y137	R30-F32 HydrophobicContact CB-CD2 4.4Å; R30-F32 HydrophobicContact CB-CE2 3.57Å; R30-F32 HydrophobicContact CB-CZ 3.89Å; R30-G50 CarbonylContact O-C 3.56Å; R30-G50 WeakPolarHBondContact O-CA 3.29Å; R30-Y51 PolarHBondContact N-O 2.79Å; R30-Y51 PolarHBondContact O-N 3.37Å; R30-D126 IonicContact CZ-OD1 2.67Å; R30-D126 IonicContact NE-OD1 3.99Å; R30-D126 PolarHBondContact NE-OD1 3.2Å; R30-D126 IonicContact NH2-OD1 3.95Å; R30-D126 PolarHBondContact NH2-OD1 3.13Å; R30-D126 IonicContact NH2-OD2 2.98Å; R30-D126 PolarHBondContact NH2-OD2 3.44Å; R30-Y137 VanDerWaalsContact NH2-CE2 3.27Å
31	Y	97.9	Very high	83.9	Confident	9 Å²	9	58 Å²	58	4%	0.035	32%	0.324	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-114.3	136.5	169	-70.3	-92.1	0	0	0	109.4	M29 F33 V49 F57 V58 M122 Y123	M29-Y31 HydrophobicContact CE-CE2 4.28Å; M29-Y31 HydrophobicContact CG-CE2 4.18Å; M29-Y31 HydrophobicContact SD-CE2 4.19Å; Y31-F33 HydrophobicContact CD1-CE1 4.37Å; Y31-V49 CarbonylContact C-O 3.5Å; Y31-V49 WeakPolarHBondContact CA-O 3.34Å; Y31-F57 HydrophobicContact CE1-CZ 4.11Å; Y31-F57 AromaticContact CZ-CZ 3.78Å; Y31-F57 WeakPolarHBondContact OH-CZ 3.29Å; Y31-V58 HydrophobicContact CE1-CG2 3.97Å; Y31-M122 WeakPolarHBondContact O-CA 3.27Å; Y31-Y123 HydrophobicContact CD2-CD2 4.47Å; Y31-Y123 AromaticContact CD2-CE2 3.7Å; Y31-Y123 HydrophobicContact CD2-CE2 3.7Å; Y31-Y123 AromaticContact CD2-CZ 3.93Å; Y31-Y123 HydrophobicContact CG-CE1 4.47Å; Y31-Y123 HydrophobicContact CG-CE2 4.07Å; Y31-Y123 AromaticContact CG-CZ 3.82Å; Y31-Y123 PolarHBondContact N-O 2.6Å; Y31-Y123 PolarHBondContact O-N 3.15Å
32	F	98.7	Very high	86.6	Confident	83 Å²	83	53.1 Å²	53.1	36%	0.364	32%	0.317	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-123.9	121.3	177.9	-57.2	-94.1	0	0	0	109.2	R30 A48 V49 Y51 I121 M122	R30-F32 HydrophobicContact CB-CD2 4.4Å; R30-F32 HydrophobicContact CB-CE2 3.57Å; R30-F32 HydrophobicContact CB-CZ 3.89Å; F32-A48 WeakPolarHBondContact O-CA 3.38Å; F32-V49 HydrophobicContact CB-CG2 3.84Å; F32-V49 HydrophobicContact CD2-CG2 4.31Å; F32-V49 PolarHBondContact N-O 3.37Å; F32-V49 PolarHBondContact O-N 3.48Å; F32-Y51 HydrophobicContact CD2-CD2 4.19Å; F32-Y51 HydrophobicContact CE2-CD2 4.23Å; F32-I121 CarbonylContact C-O 3.56Å; F32-I121 VanDerWaalsContact CA-O 3.32Å; F32-I121 WeakPolarHBondContact CA-O 3.43Å; F32-M122 HydrophobicContact CD1-CB 3.93Å; F32-M122 HydrophobicContact CD1-CG 3.7Å; F32-M122 HydrophobicContact CE1-CB 4.05Å; F32-M122 HydrophobicContact CE1-CG 3.37Å; F32-M122 HydrophobicContact CZ-CG 4.04Å
33	F	98.6	Very high	89.2	Confident	1 Å²	1	52.8 Å²	52.8	0%	0.004	31%	0.308	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-112.5	139.1	174.9	-51.2	-19.9	0	0	0	109.7	Y31 F46 I47 A48 M91 H94 Q120 I121 Y123	Y31-F33 HydrophobicContact CD1-CE1 4.37Å; F33-F46 HydrophobicContact CB-CE2 3.94Å; F33-F46 HydrophobicContact CB-CZ 4.04Å; F33-F46 HydrophobicContact CD1-CZ 4.29Å; F33-F46 HydrophobicContact CD2-CE2 4.21Å; F33-F46 AromaticContact CD2-CZ 3.97Å; F33-F46 HydrophobicContact CD2-CZ 3.97Å; F33-F46 HydrophobicContact CE2-CZ 4.46Å; F33-F46 HydrophobicContact CG-CE2 4.18Å; F33-F46 AromaticContact CG-CZ 3.87Å; F33-F46 HydrophobicContact CG-CZ 3.87Å; F33-I47 CarbonylContact C-O 3.47Å; F33-I47 WeakPolarHBondContact CA-O 3.28Å; F33-A48 HydrophobicContact CD1-CB 3.3Å; F33-A48 HydrophobicContact CE1-CB 3.53Å; F33-A48 HydrophobicContact CG-CB 4.21Å; F33-M91 HydrophobicContact CE1-CE 4.28Å; F33-M91 HydrophobicContact CE1-SD 3.84Å; F33-M91 HydrophobicContact CE2-CE 4.45Å; F33-M91 HydrophobicContact CZ-CE 3.69Å; F33-M91 HydrophobicContact CZ-SD 3.75Å; F33-H94 HydrophobicContact CE2-CB 4.35Å; F33-H94 AromaticContact CE2-CG 3.86Å; F33-H94 AromaticContact CE2-ND1 3.95Å; F33-Q120 CarbonylContact O-C 3.59Å; F33-Q120 WeakPolarHBondContact O-CA 3.32Å; F33-I121 HydrophobicContact CB-CB 4.2Å; F33-I121 HydrophobicContact CD2-CG2 4.43Å; F33-I121 PolarHBondContact N-O 2.85Å; F33-I121 PolarHBondContact O-N 2.9Å; F33-Y123 HydrophobicContact CD2-CE1 4.27Å; F33-Y123 HydrophobicContact CE1-CE1 4.06Å; F33-Y123 AromaticContact CE2-CE1 3.57Å; F33-Y123 HydrophobicContact CE2-CE1 3.57Å; F33-Y123 AromaticContact CZ-CE1 3.45Å; F33-Y123 HydrophobicContact CZ-CE1 3.45Å; F33-Y123 VanDerWaalsContact CZ-CE1 3.45Å; F33-Y123 AromaticContact CZ-CZ 3.77Å; F33-Y123 WeakPolarHBondContact CZ-OH 3.48Å
34	T	98.8	Very high	91.6	Very high	46 Å²	46	51 Å²	51	28%	0.282	30%	0.304	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-132.7	123.3	176.1	-56	0	0	0	0	109	V36 F46 I47 T118 I119 Q120	T34-V36 HydrophobicContact CG2-CG2 4.02Å; T34-F46 WeakPolarHBondContact O-CA 3.33Å; T34-I47 PolarHBondContact N-O 2.93Å; T34-I47 PolarHBondContact O-N 2.91Å; T34-T118 HydrophobicContact CG2-CG2 4.03Å; T34-I119 WeakPolarHBondContact CA-O 3.19Å; T34-Q120 HydrophobicContact CG2-CG 4.12Å
35	S	98.6	Very high	93.8	Very high	2 Å²	2	52.6 Å²	52.6	1%	0.014	30%	0.298	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-119.9	118.4	179.4	-68.3	0	0	0	0	109.6	R45 F46 D98 T118 I119	S35-R45 CarbonylContact C-O 3.6Å; S35-R45 WeakPolarHBondContact CA-O 3.42Å; S35-F46 WeakPolarHBondContact OG-CD2 3.27Å; S35-D98 WeakPolarHBondContact OG-CB 3.46Å; S35-D98 PolarHBondContact OG-OD2 3.34Å; S35-T118 CarbonylContact O-C 3.47Å; S35-T118 VanDerWaalsContact O-CA 3.31Å; S35-T118 WeakPolarHBondContact O-CA 3.31Å; S35-I119 PolarHBondContact N-O 3.12Å; S35-I119 PolarHBondContact O-N 2.92Å
36	V	98.4	Very high	95.3	Very high	52 Å²	52	51.7 Å²	51.7	32%	0.315	29%	0.288	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-117.9	115.3	-176.6	-173.2	0	0	0	0	109.7	T34 P44 R45 H117 T118	T34-V36 HydrophobicContact CG2-CG2 4.02Å; V36-P44 CarbonylContact O-C 3.57Å; V36-P44 WeakPolarHBondContact O-CA 3.39Å; V36-P44 WeakPolarHBondContact O-CB 3.44Å; V36-R45 PolarHBondContact N-O 3.33Å; V36-R45 PolarHBondContact O-N 3.44Å; V36-H117 WeakPolarHBondContact CA-O 3.48Å; V36-T118 HydrophobicContact CG2-CG2 4.18Å
37	S	97.8	Very high	96	Very high	16 Å²	16	50.3 Å²	50.3	11%	0.112	27%	0.274	C	S	.	.			trans	-69.8	144.8	172.8	75.3	0	0	0	0	110.6	S116 H117	S37-S116 WeakPolarHBondContact O-CB 3.45Å; S37-S116 PolarHBondContact O-OG 3.34Å; S37-H117 PolarHBondContact N-O 2.73Å; S37-H117 PolarHBondContact OG-N 2.67Å; S37-H117 PolarHBondContact OG-O 2.89Å
38	R	96.1	Very high	96.4	Very high	75 Å²	75	48.9 Å²	48.9	28%	0.283	27%	0.268	S	S	.	.			trans	-136.9	73.5	-179.5	54.3	174.7	176.5	-158.1	-11.3	110.9	G40 R41 E43 D63	R38-G40 PolarHBondContact O-N 3.04Å; R38-R41 HydrophobicContact CB-CB 4.09Å; R38-R41 WeakPolarHBondContact CD-O 3.36Å; R38-R41 HydrophobicContact CG-CB 4.14Å; R38-R41 PolarHBondContact NE-O 3.44Å; R38-R41 PolarHBondContact O-N 2.94Å; R38-E43 VanDerWaalsContact CZ-O 3.22Å; R38-E43 PolarHBondContact NE-O 2.94Å; R38-E43 PolarHBondContact NH2-O 2.91Å; R38-D63 IonicContact CZ-OD1 3.31Å; R38-D63 IonicContact CZ-OD2 3.14Å; R38-D63 IonicContact NH1-OD1 3.88Å; R38-D63 PolarHBondContact NH1-OD1 3.47Å; R38-D63 IonicContact NH1-OD2 3.56Å; R38-D63 PolarHBondContact NH1-OD2 3.28Å; R38-D63 IonicContact NH2-OD1 3.06Å; R38-D63 PolarHBondContact NH2-OD1 3.38Å; R38-D63 IonicContact NH2-OD2 2.7Å
39	P	92.6	Very high	96.7	Very high	52 Å²	52	49 Å²	49	34%	0.338	27%	0.268	S	S	.	.	T	Hydrogen-bonded Turn	trans	-48.4	132.3	-178.6	-27	35	0	0	0	112.2	R41 E113 G115	P39-R41 PolarHBondContact O-N 3.42Å; P39-E113 WeakPolarHBondContact CB-O 3.3Å; P39-E113 WeakPolarHBondContact CG-O 3.41Å; P39-G115 WeakPolarHBondContact CG-O 3.3Å
40	G	91.6	Very high	96.8	Very high	91 Å²	91	49 Å²	49	94%	0.938	27%	0.268	S	S	*	.	T	Hydrogen-bonded Turn	trans	72.7	1	-177.4	0	0	0	0	0	116.1	R38	R38-G40 PolarHBondContact O-N 3.04Å
41	R	93.2	Very high	96.8	Very high	207 Å²	207	50 Å²	50	78%	0.781	27%	0.272	S	S	*	.	S	Bend	trans	-123.6	23.3	-179.2	-58.6	-175.1	-179	179.3	1.2	113.5	R38 P39	R38-R41 HydrophobicContact CB-CB 4.09Å; R38-R41 WeakPolarHBondContact CD-O 3.36Å; R38-R41 HydrophobicContact CG-CB 4.14Å; R38-R41 PolarHBondContact NE-O 3.44Å; R38-R41 PolarHBondContact O-N 2.94Å; P39-R41 PolarHBondContact O-N 3.42Å
42	G	91.9	Very high	96.6	Very high	58 Å²	58	49.5 Å²	49.5	60%	0.598	27%	0.27	S	S	*	.	S	Bend	trans	93.9	-160.3	178.5	0	0	0	0	0	113.7
43	E	94.5	Very high	96.3	Very high	91 Å²	91	46.9 Å²	46.9	43%	0.425	26%	0.26	S	S	.	.	S	Bend	trans	-68.7	152.2	-176.2	-64.3	-58.3	163.9	0	0	112.8	R38 R45 R99	R38-E43 VanDerWaalsContact CZ-O 3.22Å; R38-E43 PolarHBondContact NE-O 2.94Å; R38-E43 PolarHBondContact NH2-O 2.91Å; E43-R45 PolarHBondContact O-N 3.28Å; E43-R99 IonicContact OE1-CZ 2.79Å; E43-R99 IonicContact OE1-NE 2.83Å; E43-R99 IonicContact OE1-NH1 3.52Å; E43-R99 PolarHBondContact OE1-NH1 3.45Å; E43-R99 IonicContact OE1-NH2 3.95Å; E43-R99 PolarHBondContact OE1-NH2 2.8Å; E43-R99 WeakPolarHBondContact OE2-CD 3.47Å; E43-R99 IonicContact OE2-CZ 2.66Å; E43-R99 IonicContact OE2-NE 3.69Å; E43-R99 PolarHBondContact OE2-NE 2.9Å; E43-R99 IonicContact OE2-NH1 3.69Å; E43-R99 PolarHBondContact OE2-NH1 2.97Å; E43-R99 VanDerWaalsContact OE2-NH1 3.1Å; E43-R99 IonicContact OE2-NH2 3.67Å; E43-R99 PolarHBondContact OE2-NH2 2.03Å
44	P	97.1	Very high	96.1	Very high	24 Å²	24	50 Å²	50	16%	0.156	28%	0.276	C	S	.	.	P	Polyproline II helix	trans	-51.5	136.4	172.9	-25.9	35	0	0	0	112	V36 R99 L102	V36-P44 CarbonylContact O-C 3.57Å; V36-P44 WeakPolarHBondContact O-CA 3.39Å; V36-P44 WeakPolarHBondContact O-CB 3.44Å; P44-R99 HydrophobicContact CG-CB 4.39Å; P44-R99 HydrophobicContact CG-CG 4.18Å; P44-L102 HydrophobicContact CB-CD1 3.56Å; P44-L102 HydrophobicContact CG-CD1 3.69Å
45	R	98.2	Very high	95.8	Very high	92 Å²	92	48.8 Å²	48.8	35%	0.347	27%	0.269	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-78.9	127.4	174.1	-175	-179.7	-177.6	-176.3	-0.6	108.8	S35 V36 E43 I47 D61 S62 D63	S35-R45 CarbonylContact C-O 3.6Å; S35-R45 WeakPolarHBondContact CA-O 3.42Å; V36-R45 PolarHBondContact N-O 3.33Å; V36-R45 PolarHBondContact O-N 3.44Å; E43-R45 PolarHBondContact O-N 3.28Å; R45-I47 HydrophobicContact CG-CG1 4.3Å; R45-D61 IonicContact CZ-OD1 3.66Å; R45-D61 IonicContact CZ-OD2 2.89Å; R45-D61 IonicContact NE-OD1 3.7Å; R45-D61 PolarHBondContact NE-OD1 3.3Å; R45-D61 VanDerWaalsContact NE-OD1 3.1Å; R45-D61 IonicContact NE-OD2 2.99Å; R45-D61 IonicContact NH2-OD1 3.45Å; R45-D61 PolarHBondContact NH2-OD1 2.88Å; R45-D61 IonicContact NH2-OD2 3.09Å; R45-D61 PolarHBondContact NH2-OD2 3.49Å; R45-S62 WeakPolarHBondContact CA-OG 3.46Å; R45-D63 VanDerWaalsContact CD-OD2 3.3Å; R45-D63 WeakPolarHBondContact CD-OD2 3.23Å; R45-D63 HydrophobicContact CG-CB 4.49Å; R45-D63 IonicContact NE-OD2 3.95Å
46	F	98.6	Very high	95.7	Very high	2 Å²	2	51 Å²	51	1%	0.009	28%	0.279	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-111.5	125.8	176.3	176.7	-87.9	0	0	0	109.6	F33 T34 S35 A48 F60 S62 M91 H94 S95 D98	F33-F46 HydrophobicContact CB-CE2 3.94Å; F33-F46 HydrophobicContact CB-CZ 4.04Å; F33-F46 HydrophobicContact CD1-CZ 4.29Å; F33-F46 HydrophobicContact CD2-CE2 4.21Å; F33-F46 AromaticContact CD2-CZ 3.97Å; F33-F46 HydrophobicContact CD2-CZ 3.97Å; F33-F46 HydrophobicContact CE2-CZ 4.46Å; F33-F46 HydrophobicContact CG-CE2 4.18Å; F33-F46 AromaticContact CG-CZ 3.87Å; F33-F46 HydrophobicContact CG-CZ 3.87Å; T34-F46 WeakPolarHBondContact O-CA 3.33Å; S35-F46 WeakPolarHBondContact OG-CD2 3.27Å; F46-A48 HydrophobicContact CE1-CB 3.66Å; F46-A48 HydrophobicContact CZ-CB 3.95Å; F46-F60 AromaticContact CD1-CD1 3.68Å; F46-F60 HydrophobicContact CD1-CD1 3.68Å; F46-F60 AromaticContact CD1-CE1 3.86Å; F46-F60 HydrophobicContact CD1-CE1 3.86Å; F46-F60 AromaticContact CE1-CD1 3.94Å; F46-F60 HydrophobicContact CE1-CD1 3.94Å; F46-F60 HydrophobicContact CE1-CE1 4.37Å; F46-S62 PolarHBondContact N-OG 3.08Å; F46-S62 PolarHBondContact O-N 3.19Å; F46-S62 PolarHBondContact O-OG 3.45Å; F46-M91 HydrophobicContact CE1-CB 4.35Å; F46-M91 HydrophobicContact CE1-SD 4.25Å; F46-M91 HydrophobicContact CZ-SD 4.37Å; F46-H94 HydrophobicContact CE2-CB 4.2Å; F46-H94 HydrophobicContact CZ-CB 3.95Å; F46-S95 WeakPolarHBondContact CB-OG 3.03Å; F46-D98 HydrophobicContact CD2-CB 4.45Å
47	I	98.7	Very high	95.6	Very high	46 Å²	46	48.5 Å²	48.5	24%	0.236	26%	0.264	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-123.2	131.6	174.1	-56.4	177.1	0	0	0	107.8	F33 T34 R45 V49 F60	F33-I47 CarbonylContact C-O 3.47Å; F33-I47 WeakPolarHBondContact CA-O 3.28Å; T34-I47 PolarHBondContact N-O 2.93Å; T34-I47 PolarHBondContact O-N 2.91Å; R45-I47 HydrophobicContact CG-CG1 4.3Å; I47-V49 HydrophobicContact CG2-CG1 4.4Å; I47-F60 WeakPolarHBondContact CA-O 3.46Å
48	A	98.6	Very high	95.6	Very high	2 Å²	2	47.8 Å²	47.8	2%	0.017	26%	0.259	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-124.4	138.2	171.2	0	0	0	0	0	110.3	F32 F33 F46 R59 F60 M91	F32-A48 WeakPolarHBondContact O-CA 3.38Å; F33-A48 HydrophobicContact CD1-CB 3.3Å; F33-A48 HydrophobicContact CE1-CB 3.53Å; F33-A48 HydrophobicContact CG-CB 4.21Å; F46-A48 HydrophobicContact CE1-CB 3.66Å; F46-A48 HydrophobicContact CZ-CB 3.95Å; A48-R59 CarbonylContact O-C 3.53Å; A48-R59 VanDerWaalsContact O-CA 3.3Å; A48-R59 WeakPolarHBondContact O-CA 3.35Å; A48-F60 HydrophobicContact CB-CB 4.26Å; A48-F60 PolarHBondContact N-O 3.09Å; A48-F60 PolarHBondContact O-N 3.45Å; A48-M91 HydrophobicContact CB-SD 3.58Å; A48-M91 VanDerWaalsContact CB-SD 3.58Å
49	V	98.7	Very high	95.7	Very high	29 Å²	29	48 Å²	48	18%	0.176	26%	0.26	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-133.8	143.2	174.2	-62.5	0	0	0	0	109.9	Y31 F32 I47 Y51 Q56 V58 R59	Y31-V49 CarbonylContact C-O 3.5Å; Y31-V49 WeakPolarHBondContact CA-O 3.34Å; F32-V49 HydrophobicContact CB-CG2 3.84Å; F32-V49 HydrophobicContact CD2-CG2 4.31Å; F32-V49 PolarHBondContact N-O 3.37Å; F32-V49 PolarHBondContact O-N 3.48Å; I47-V49 HydrophobicContact CG2-CG1 4.4Å; V49-Y51 HydrophobicContact CB-CE2 4.08Å; V49-Y51 HydrophobicContact CG2-CD2 4.34Å; V49-Y51 HydrophobicContact CG2-CE2 3.81Å; V49-Q56 VanDerWaalsContact CG1-NE2 3.26Å; V49-V58 WeakPolarHBondContact CA-O 3.32Å; V49-R59 HydrophobicContact CG1-CG 4.26Å
50	G	97.8	Very high	96	Very high	0 Å²	0	45.7 Å²	45.7	0%	0	24%	0.244	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-120.4	137.9	176.3	0	0	0	0	0	110.7	R30 Q56 F57 V58	R30-G50 CarbonylContact O-C 3.56Å; R30-G50 WeakPolarHBondContact O-CA 3.29Å; G50-Q56 WeakPolarHBondContact O-CA 3.19Å; G50-Q56 WeakPolarHBondContact O-CG 3.49Å; G50-F57 WeakPolarHBondContact O-CD1 3.43Å; G50-F57 PolarHBondContact O-N 3.01Å; G50-V58 PolarHBondContact N-O 2.69Å; G50-V58 VanDerWaalsContact N-O 3.1Å
51	Y	96.5	Very high	96.3	Very high	71 Å²	71	42 Å²	42	28%	0.278	20%	0.203	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-125.3	141.2	178.9	-76.1	-102.3	0	0	0	110.5	M29 R30 F32 V49 T55 Q56	M29-Y51 WeakPolarHBondContact CA-O 3.47Å; R30-Y51 PolarHBondContact N-O 2.79Å; R30-Y51 PolarHBondContact O-N 3.37Å; F32-Y51 HydrophobicContact CD2-CD2 4.19Å; F32-Y51 HydrophobicContact CE2-CD2 4.23Å; V49-Y51 HydrophobicContact CB-CE2 4.08Å; V49-Y51 HydrophobicContact CG2-CD2 4.34Å; V49-Y51 HydrophobicContact CG2-CE2 3.81Å; Y51-T55 WeakPolarHBondContact CA-O 3.42Å; Y51-T55 VanDerWaalsContact CD1-C 3.49Å; Y51-Q56 HydrophobicContact CD1-CB 4Å; Y51-Q56 VanDerWaalsContact CD1-N 3.31Å; Y51-Q56 HydrophobicContact CD2-CG 4.34Å; Y51-Q56 HydrophobicContact CE1-CB 3.51Å; Y51-Q56 HydrophobicContact CE1-CG 4.23Å; Y51-Q56 HydrophobicContact CE2-CB 4.07Å; Y51-Q56 HydrophobicContact CE2-CG 3.85Å; Y51-Q56 HydrophobicContact CG-CB 4.47Å
52	V	94.8	Very high	96.6	Very high	0 Å²	0	32.9 Å²	32.9	0%	0	17%	0.171	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-110.2	118.4	157.6	179.6	0	0	0	0	105.9	S28 M29 D54 T55 F57 W75 F192 Y195 L196 L203	S28-V52 CarbonylContact O-C 3.55Å; S28-V52 WeakPolarHBondContact O-CA 3.45Å; M29-V52 HydrophobicContact CG-CG2 4.28Å; V52-D54 PolarHBondContact O-N 3.48Å; V52-T55 PolarHBondContact N-O 3.37Å; V52-T55 WeakPolarHBondContact O-CB 3.48Å; V52-T55 PolarHBondContact O-N 3.38Å; V52-F57 HydrophobicContact CG2-CD1 3.93Å; V52-F57 HydrophobicContact CG2-CE1 3.91Å; V52-W75 HydrophobicContact CG2-CH2 3.96Å; V52-W75 HydrophobicContact CG2-CZ2 4.49Å; V52-F192 HydrophobicContact CG1-CD2 4.09Å; V52-F192 HydrophobicContact CG1-CE2 3.68Å; V52-Y195 HydrophobicContact CG2-CD2 4.21Å; V52-L196 HydrophobicContact CG1-CD2 4.5Å; V52-L203 HydrophobicContact CB-CD1 4.28Å; V52-L203 HydrophobicContact CB-CD2 4.11Å; V52-L203 HydrophobicContact CG1-CD1 3.91Å; V52-L203 HydrophobicContact CG1-CD2 4.1Å
53	D	92.2	Very high	96.8	Very high	28 Å²	28	33.5 Å²	33.5	15%	0.15	16%	0.161	C	C	.	.	T	Hydrogen-bonded Turn	trans	48.8	-124.8	-166.3	-53	-43.3	0	0	0	110.4	H27 S28 T55	H27-D53 WeakPolarHBondContact CA-OD1 3.44Å; H27-D53 WeakPolarHBondContact CB-OD1 3.22Å; H27-D53 IonicContact CE1-OD2 3.01Å; H27-D53 IonicContact CG-OD1 2.84Å; H27-D53 IonicContact CG-OD2 3.7Å; H27-D53 IonicContact ND1-OD1 2.73Å; H27-D53 IonicContact ND1-OD2 2.67Å; H27-D53 PolarHBondContact ND1-OD2 2.95Å; S28-D53 PolarHBondContact N-OD1 2.75Å; S28-D53 PolarHBondContact O-N 3.48Å; D53-T55 VanDerWaalsContact C-N 3.33Å
54	D	92.7	Very high	96.9	Very high	65 Å²	65	30.5 Å²	30.5	35%	0.348	15%	0.152	S	C	.	.	T	Hydrogen-bonded Turn	trans	-90.7	8.7	178.8	-58.6	-54.6	0	0	0	113.8	V52 Y233 P234 A235 F265	V52-D54 PolarHBondContact O-N 3.48Å; D54-Y233 HydrophobicContact CB-CE2 4.15Å; D54-P234 WeakPolarHBondContact OD2-CB 3.47Å; D54-A235 HydrophobicContact CB-CB 4.28Å; D54-A235 VanDerWaalsContact OD2-CB 3.31Å; D54-A235 WeakPolarHBondContact OD2-CB 3.35Å; D54-A235 PolarHBondContact OD2-N 2.81Å; D54-F265 HydrophobicContact CB-CE2 3.78Å; D54-F265 HydrophobicContact CB-CZ 3.64Å
55	T	93.8	Very high	96.9	Very high	21 Å²	21	34.9 Å²	34.9	13%	0.129	19%	0.19	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-106.7	113.6	-175.3	-60.1	0	0	0	0	111.7	Y51 V52 D53 F57 L203 Y233	Y51-T55 WeakPolarHBondContact CA-O 3.42Å; Y51-T55 VanDerWaalsContact CD1-C 3.49Å; V52-T55 PolarHBondContact N-O 3.37Å; V52-T55 WeakPolarHBondContact O-CB 3.48Å; V52-T55 PolarHBondContact O-N 3.38Å; D53-T55 VanDerWaalsContact C-N 3.33Å; T55-F57 PolarHBondContact O-N 2.96Å; T55-L203 HydrophobicContact CG2-CD2 4.11Å; T55-Y233 PolarHBondContact OG1-OH 3.47Å
56	Q	95.9	Very high	96.6	Very high	49 Å²	49	33.1 Å²	33.1	23%	0.229	19%	0.192	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-68.2	131.1	173	-166.1	180	-1.5	0	0	110.4	V49 G50 Y51 V58 R72	V49-Q56 VanDerWaalsContact CG1-NE2 3.26Å; G50-Q56 WeakPolarHBondContact O-CA 3.19Å; G50-Q56 WeakPolarHBondContact O-CG 3.49Å; Y51-Q56 HydrophobicContact CD1-CB 4Å; Y51-Q56 VanDerWaalsContact CD1-N 3.31Å; Y51-Q56 HydrophobicContact CD2-CG 4.34Å; Y51-Q56 HydrophobicContact CE1-CB 3.51Å; Y51-Q56 HydrophobicContact CE1-CG 4.23Å; Y51-Q56 HydrophobicContact CE2-CB 4.07Å; Y51-Q56 HydrophobicContact CE2-CG 3.85Å; Y51-Q56 HydrophobicContact CG-CB 4.47Å; Q56-V58 PolarHBondContact NE2-O 2.88Å; Q56-R72 HydrophobicContact CG-CB 4.14Å; Q56-R72 HydrophobicContact CG-CG 4.4Å
57	F	96.5	Very high	96.5	Very high	0 Å²	0	37.2 Å²	37.2	0%	0	21%	0.211	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-122.3	-22.5	-179.5	74.7	-82.4	0	0	0	114.6	M29 Y31 G50 V52 T55 R72 A73 W75 I76 Y195	M29-F57 HydrophobicContact CG-CE1 4.48Å; M29-F57 HydrophobicContact SD-CZ 4.31Å; Y31-F57 HydrophobicContact CE1-CZ 4.11Å; Y31-F57 AromaticContact CZ-CZ 3.78Å; Y31-F57 WeakPolarHBondContact OH-CZ 3.29Å; G50-F57 WeakPolarHBondContact O-CD1 3.43Å; G50-F57 PolarHBondContact O-N 3.01Å; V52-F57 HydrophobicContact CG2-CD1 3.93Å; V52-F57 HydrophobicContact CG2-CE1 3.91Å; T55-F57 PolarHBondContact O-N 2.96Å; F57-R72 PolarHBondContact O-N 2.84Å; F57-A73 HydrophobicContact CB-CB 4.14Å; F57-W75 HydrophobicContact CB-CH2 3.14Å; F57-W75 HydrophobicContact CB-CZ2 3.32Å; F57-W75 HydrophobicContact CB-CZ3 3.99Å; F57-W75 HydrophobicContact CD1-CH2 4.07Å; F57-W75 AromaticContact CD2-CH2 3.74Å; F57-W75 HydrophobicContact CD2-CH2 3.74Å; F57-W75 HydrophobicContact CD2-CZ3 4.05Å; F57-W75 AromaticContact CG-CH2 3.41Å; F57-W75 HydrophobicContact CG-CH2 3.41Å; F57-W75 VanDerWaalsContact CG-CH2 3.41Å; F57-W75 HydrophobicContact CG-CZ2 4.07Å; F57-W75 HydrophobicContact CG-CZ3 4.18Å; F57-I76 HydrophobicContact CD2-CB 4.44Å; F57-I76 HydrophobicContact CD2-CD1 3.97Å; F57-I76 HydrophobicContact CD2-CG1 4.02Å; F57-I76 HydrophobicContact CE2-CD1 4.32Å; F57-I76 VanDerWaalsContact O-CG2 3.24Å; F57-I76 WeakPolarHBondContact O-CG2 3.34Å; F57-Y195 HydrophobicContact CE2-CD2 4.2Å; F57-Y195 AromaticContact CE2-CE2 3.76Å; F57-Y195 HydrophobicContact CE2-CE2 3.76Å; F57-Y195 HydrophobicContact CZ-CD2 4.27Å; F57-Y195 AromaticContact CZ-CE2 3.93Å; F57-Y195 HydrophobicContact CZ-CE2 3.93Å
58	V	97.9	Very high	96.4	Very high	1 Å²	1	40.3 Å²	40.3	1%	0.006	22%	0.223	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-139.4	154.3	176.7	-72.9	0	0	0	0	112.6	Y31 V49 G50 Q56 M69 E70 I76 W84	Y31-V58 HydrophobicContact CE1-CG2 3.97Å; V49-V58 WeakPolarHBondContact CA-O 3.32Å; G50-V58 PolarHBondContact N-O 2.69Å; G50-V58 VanDerWaalsContact N-O 3.1Å; Q56-V58 PolarHBondContact NE2-O 2.88Å; V58-M69 HydrophobicContact CB-CG 4.21Å; V58-M69 HydrophobicContact CB-SD 3.75Å; V58-M69 HydrophobicContact CG1-CG 4.23Å; V58-M69 HydrophobicContact CG1-SD 4.41Å; V58-M69 HydrophobicContact CG2-CE 4.45Å; V58-M69 HydrophobicContact CG2-SD 4.24Å; V58-E70 WeakPolarHBondContact CA-O 3.46Å; V58-I76 HydrophobicContact CG1-CG1 4.35Å; V58-W84 HydrophobicContact CG1-CH2 4.17Å; V58-W84 HydrophobicContact CG1-CZ3 3.98Å
59	R	98.4	Very high	96.4	Very high	79 Å²	79	40.7 Å²	40.7	30%	0.298	22%	0.224	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-146	142.4	173.1	179.2	173	170.6	152.5	-0.1	111.4	A48 V49 D61 M69 E70 R72	A48-R59 CarbonylContact O-C 3.53Å; A48-R59 VanDerWaalsContact O-CA 3.3Å; A48-R59 WeakPolarHBondContact O-CA 3.35Å; V49-R59 HydrophobicContact CG1-CG 4.26Å; R59-D61 IonicContact NH2-OD2 2.76Å; R59-D61 PolarHBondContact NH2-OD2 2.96Å; R59-M69 VanDerWaalsContact C-SD 3.55Å; R59-E70 PolarHBondContact N-O 3.42Å; R59-E70 PolarHBondContact O-N 3.49Å; R59-R72 HydrophobicContact CB-CG 3.81Å
60	F	98.7	Very high	96.4	Very high	3 Å²	3	42 Å²	42	1%	0.013	23%	0.228	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-128.8	141.4	165.3	179.2	-80.9	0	0	0	109.4	F46 I47 A48 Q67 M69 M91 K92	F46-F60 AromaticContact CD1-CD1 3.68Å; F46-F60 HydrophobicContact CD1-CD1 3.68Å; F46-F60 AromaticContact CD1-CE1 3.86Å; F46-F60 HydrophobicContact CD1-CE1 3.86Å; F46-F60 AromaticContact CE1-CD1 3.94Å; F46-F60 HydrophobicContact CE1-CD1 3.94Å; F46-F60 HydrophobicContact CE1-CE1 4.37Å; I47-F60 WeakPolarHBondContact CA-O 3.46Å; A48-F60 HydrophobicContact CB-CB 4.26Å; A48-F60 PolarHBondContact N-O 3.09Å; A48-F60 PolarHBondContact O-N 3.45Å; F60-Q67 VanDerWaalsContact CE2-O 3.3Å; F60-Q67 WeakPolarHBondContact CE2-O 3.46Å; F60-Q67 HydrophobicContact CZ-CB 4.39Å; F60-M69 HydrophobicContact CB-SD 3.95Å; F60-M91 HydrophobicContact CB-CB 4.17Å; F60-M91 HydrophobicContact CB-CG 3.97Å; F60-M91 HydrophobicContact CD1-CB 4.05Å; F60-M91 HydrophobicContact CD2-CB 3.64Å; F60-M91 HydrophobicContact CD2-CG 4.2Å; F60-M91 HydrophobicContact CE1-CB 4.37Å; F60-M91 HydrophobicContact CE2-CB 3.97Å; F60-M91 HydrophobicContact CG-CB 3.69Å; F60-M91 HydrophobicContact CG-CG 4.07Å; F60-M91 HydrophobicContact CZ-CB 4.34Å; F60-K92 HydrophobicContact CE2-CG 4.17Å; F60-K92 HydrophobicContact CZ-CG 3.96Å
61	D	98.5	Very high	96.4	Very high	14 Å²	14	44.4 Å²	44.4	8%	0.075	24%	0.244	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-137.7	120.7	175.4	-164.8	-27.8	0	0	0	109.2	R45 R59 D63 A64	R45-D61 IonicContact CZ-OD1 3.66Å; R45-D61 IonicContact CZ-OD2 2.89Å; R45-D61 IonicContact NE-OD1 3.7Å; R45-D61 PolarHBondContact NE-OD1 3.3Å; R45-D61 VanDerWaalsContact NE-OD1 3.1Å; R45-D61 IonicContact NE-OD2 2.99Å; R45-D61 IonicContact NH2-OD1 3.45Å; R45-D61 PolarHBondContact NH2-OD1 2.88Å; R45-D61 IonicContact NH2-OD2 3.09Å; R45-D61 PolarHBondContact NH2-OD2 3.49Å; R59-D61 IonicContact NH2-OD2 2.76Å; R59-D61 PolarHBondContact NH2-OD2 2.96Å; D61-D63 PolarHBondContact O-N 3.49Å; D61-D63 PolarHBondContact OD1-N 3.38Å; D61-D63 VanDerWaalsContact OD1-N 3.13Å; D61-A64 HydrophobicContact CB-CB 4.14Å; D61-A64 WeakPolarHBondContact O-CB 3.32Å; D61-A64 PolarHBondContact O-N 3.35Å; D61-A64 VanDerWaalsContact O-N 3.12Å
62	S	97.9	Very high	96.4	Very high	15 Å²	15	46.6 Å²	46.6	11%	0.105	25%	0.252	C	S	.	.	T	Hydrogen-bonded Turn	trans	-66	-21.9	-179	66.3	0	0	0	0	113.2	R45 F46 Q67	R45-S62 WeakPolarHBondContact CA-OG 3.46Å; F46-S62 PolarHBondContact N-OG 3.08Å; F46-S62 PolarHBondContact O-N 3.19Å; F46-S62 PolarHBondContact O-OG 3.45Å; S62-Q67 PolarHBondContact O-NE2 3.36Å
63	D	97.2	Very high	96.4	Very high	72 Å²	72	46.8 Å²	46.8	39%	0.385	25%	0.253	S	S	.	.	T	Hydrogen-bonded Turn	trans	-87.5	-7.3	177.7	-75.9	0.6	0	0	0	112.3	R38 R45 D61	R38-D63 IonicContact CZ-OD1 3.31Å; R38-D63 IonicContact CZ-OD2 3.14Å; R38-D63 IonicContact NH1-OD1 3.88Å; R38-D63 PolarHBondContact NH1-OD1 3.47Å; R38-D63 IonicContact NH1-OD2 3.56Å; R38-D63 PolarHBondContact NH1-OD2 3.28Å; R38-D63 IonicContact NH2-OD1 3.06Å; R38-D63 PolarHBondContact NH2-OD1 3.38Å; R38-D63 IonicContact NH2-OD2 2.7Å; R45-D63 VanDerWaalsContact CD-OD2 3.3Å; R45-D63 WeakPolarHBondContact CD-OD2 3.23Å; R45-D63 HydrophobicContact CG-CB 4.49Å; R45-D63 IonicContact NE-OD2 3.95Å; D61-D63 PolarHBondContact O-N 3.49Å; D61-D63 PolarHBondContact OD1-N 3.38Å; D61-D63 VanDerWaalsContact OD1-N 3.13Å
64	A	96.9	Very high	96.5	Very high	28 Å²	28	50.2 Å²	50.2	23%	0.231	28%	0.277	C	S	.	.	S	Bend	trans	-69.4	143.7	174.7	0	0	0	0	0	111.1	D61 S66 Q67	D61-A64 HydrophobicContact CB-CB 4.14Å; D61-A64 WeakPolarHBondContact O-CB 3.32Å; D61-A64 PolarHBondContact O-N 3.35Å; D61-A64 VanDerWaalsContact O-N 3.12Å; A64-S66 VanDerWaalsContact C-N 3.28Å; A64-S66 PolarHBondContact O-N 3.39Å; A64-Q67 WeakPolarHBondContact O-CG 3.48Å; A64-Q67 PolarHBondContact O-N 3.33Å; A64-Q67 VanDerWaalsContact O-N 3.15Å
65	A	95.7	Very high	96.6	Very high	115 Å²	115	47.8 Å²	47.8	95%	0.95	26%	0.263	S	S	*	.	S	Bend	trans	-60.6	-34.9	-177.6	0	0	0	0	0	113.7
66	S	92.8	Very high	96.7	Very high	56 Å²	56	46.8 Å²	46.8	39%	0.392	26%	0.257	S	S	.	.	S	Bend	trans	-78	-30.1	178.8	60.5	0	0	0	0	112.6	A64 K68	A64-S66 VanDerWaalsContact C-N 3.28Å; A64-S66 PolarHBondContact O-N 3.39Å; S66-K68 WeakPolarHBondContact O-CG 3.36Å; S66-K68 PolarHBondContact O-N 3.06Å
67	Q	95.8	Very high	96.7	Very high	87 Å²	87	50.4 Å²	50.4	41%	0.407	27%	0.273	S	S	.	.			trans	43.3	49.9	-169.3	-57.5	-176.2	-23.6	0	0	112.1	F60 S62 A64 K92	F60-Q67 VanDerWaalsContact CE2-O 3.3Å; F60-Q67 WeakPolarHBondContact CE2-O 3.46Å; F60-Q67 HydrophobicContact CZ-CB 4.39Å; S62-Q67 PolarHBondContact O-NE2 3.36Å; A64-Q67 WeakPolarHBondContact O-CG 3.48Å; A64-Q67 PolarHBondContact O-N 3.33Å; A64-Q67 VanDerWaalsContact O-N 3.15Å; Q67-K92 WeakPolarHBondContact O-CE 3.37Å; Q67-K92 PolarHBondContact O-NZ 3.4Å
68	K	97.7	Very high	96.5	Very high	112 Å²	112	56.2 Å²	56.2	49%	0.487	30%	0.301	S	S	.	.			trans	-116.6	157.6	177.8	-67.1	-168.9	178	-170.7	0	110.8	S66 T88	S66-K68 WeakPolarHBondContact O-CG 3.36Å; S66-K68 PolarHBondContact O-N 3.06Å; K68-T88 HydrophobicContact CB-CG2 4.43Å; K68-T88 HydrophobicContact CG-CG2 4.29Å
69	M	98	Very high	96.4	Very high	9 Å²	9	56.6 Å²	56.6	4%	0.044	30%	0.302	C	S	.	.			trans	-68.5	129.5	164.2	-172.3	67.5	91.6	0	0	108.3	V58 R59 F60 W84 E87 T88 M91	V58-M69 HydrophobicContact CB-CG 4.21Å; V58-M69 HydrophobicContact CB-SD 3.75Å; V58-M69 HydrophobicContact CG1-CG 4.23Å; V58-M69 HydrophobicContact CG1-SD 4.41Å; V58-M69 HydrophobicContact CG2-CE 4.45Å; V58-M69 HydrophobicContact CG2-SD 4.24Å; R59-M69 VanDerWaalsContact C-SD 3.55Å; F60-M69 HydrophobicContact CB-SD 3.95Å; M69-W84 HydrophobicContact CB-CE3 4.2Å; M69-W84 HydrophobicContact CB-CZ3 4.49Å; M69-W84 HydrophobicContact CG-CE3 4.08Å; M69-W84 HydrophobicContact CG-CZ3 3.91Å; M69-E87 HydrophobicContact CB-CB 4.1Å; M69-E87 HydrophobicContact CE-CB 4.14Å; M69-E87 HydrophobicContact CG-CB 4.06Å; M69-T88 PolarHBondContact N-OG1 2.63Å; M69-M91 HydrophobicContact CE-CE 4.33Å; M69-M91 HydrophobicContact CE-CG 3.29Å; M69-M91 HydrophobicContact CE-SD 3.89Å; M69-M91 HydrophobicContact SD-CG 4.4Å
70	E	97.9	Very high	96.3	Very high	58 Å²	58	54.4 Å²	54.4	27%	0.271	31%	0.305	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-117.2	139.1	-175.4	-64.6	175.8	159.2	0	0	110.6	V58 R59 R72	V58-E70 WeakPolarHBondContact CA-O 3.46Å; R59-E70 PolarHBondContact N-O 3.42Å; R59-E70 PolarHBondContact O-N 3.49Å; E70-R72 IonicContact OE2-CZ 3.69Å; E70-R72 IonicContact OE2-NH2 3.23Å; E70-R72 PolarHBondContact OE2-NH2 3.03Å
71	P	97.8	Very high	96.2	Very high	49 Å²	49	58.9 Å²	58.9	32%	0.318	33%	0.334	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-66.8	145.6	171.9	28.6	-33.8	0	0	0	110.9	I76 E77 W84	P71-I76 HydrophobicContact CB-CG2 3.64Å; P71-E77 HydrophobicContact CB-CG 3.75Å; P71-E77 HydrophobicContact CG-CG 3.99Å; P71-W84 HydrophobicContact CB-CH2 3.6Å; P71-W84 HydrophobicContact CB-CZ2 3.95Å; P71-W84 HydrophobicContact CB-CZ3 4.48Å; P71-W84 HydrophobicContact CG-CH2 4.22Å; P71-W84 HydrophobicContact CG-CZ2 4.36Å
72	R	96.9	Very high	96.1	Very high	118 Å²	118	66.1 Å²	66.1	45%	0.445	37%	0.367	S	S	.	.			trans	-127.9	-0.5	174.2	-60.8	-64.5	170.4	177.9	-1.8	113.4	Q56 F57 R59 E70	Q56-R72 HydrophobicContact CG-CB 4.14Å; Q56-R72 HydrophobicContact CG-CG 4.4Å; F57-R72 PolarHBondContact O-N 2.84Å; R59-R72 HydrophobicContact CB-CG 3.81Å; E70-R72 IonicContact OE2-CZ 3.69Å; E70-R72 IonicContact OE2-NH2 3.23Å; E70-R72 PolarHBondContact OE2-NH2 3.03Å
73	A	94.9	Very high	96	Very high	4 Å²	4	66.9 Å²	66.9	3%	0.033	37%	0.368	C	S	.	.	S	Bend	trans	-137.2	144.2	172.7	0	0	0	0	0	110.6	F57 W75 I76	F57-A73 HydrophobicContact CB-CB 4.14Å; A73-W75 VanDerWaalsContact C-N 3.28Å; A73-W75 HydrophobicContact CB-CD2 4.16Å; A73-W75 HydrophobicContact CB-CG 4.34Å; A73-W75 HydrophobicContact CB-CZ2 4.02Å; A73-W75 PolarHBondContact O-N 3.1Å; A73-I76 WeakPolarHBondContact O-CG2 3.36Å; A73-I76 PolarHBondContact O-N 3.44Å
74	P	95.1	Very high	96	Very high	100 Å²	100	65.3 Å²	65.3	65%	0.649	36%	0.357	S	S	*	.	G	3₁₀ helix	trans	-58.2	-37.5	-177.4	-26.9	35.1	0	0	0	113.9	I76 E77	P74-I76 PolarHBondContact O-N 3.05Å; P74-E77 WeakPolarHBondContact O-CB 3.28Å; P74-E77 PolarHBondContact O-N 3.49Å; P74-E77 VanDerWaalsContact O-N 3.09Å
75	W	94.3	Very high	96.1	Very high	14 Å²	14	68.1 Å²	68.1	5%	0.053	37%	0.368	C	S	.	.	G	3₁₀ helix	trans	-69.6	-14.8	-176.1	54	-105.9	0	0	0	114.5	V52 F57 A73 Q78 Y195 N198 L203	V52-W75 HydrophobicContact CG2-CH2 3.96Å; V52-W75 HydrophobicContact CG2-CZ2 4.49Å; F57-W75 HydrophobicContact CB-CH2 3.14Å; F57-W75 HydrophobicContact CB-CZ2 3.32Å; F57-W75 HydrophobicContact CB-CZ3 3.99Å; F57-W75 HydrophobicContact CD1-CH2 4.07Å; F57-W75 AromaticContact CD2-CH2 3.74Å; F57-W75 HydrophobicContact CD2-CH2 3.74Å; F57-W75 HydrophobicContact CD2-CZ3 4.05Å; F57-W75 AromaticContact CG-CH2 3.41Å; F57-W75 HydrophobicContact CG-CH2 3.41Å; F57-W75 VanDerWaalsContact CG-CH2 3.41Å; F57-W75 HydrophobicContact CG-CZ2 4.07Å; F57-W75 HydrophobicContact CG-CZ3 4.18Å; A73-W75 VanDerWaalsContact C-N 3.28Å; A73-W75 HydrophobicContact CB-CD2 4.16Å; A73-W75 HydrophobicContact CB-CG 4.34Å; A73-W75 HydrophobicContact CB-CZ2 4.02Å; A73-W75 PolarHBondContact O-N 3.1Å; W75-Q78 WeakPolarHBondContact O-CG 3.39Å; W75-Q78 PolarHBondContact O-NE2 3.19Å; W75-Q78 VanDerWaalsContact O-NE2 3.13Å; W75-Y195 HydrophobicContact CH2-CG 4.3Å; W75-Y195 AromaticContact CZ3-CD1 3.87Å; W75-Y195 HydrophobicContact CZ3-CD1 3.87Å; W75-Y195 AromaticContact CZ3-CG 3.76Å; W75-Y195 HydrophobicContact CZ3-CG 3.76Å; W75-N198 WeakPolarHBondContact CB-O 3.16Å; W75-L203 HydrophobicContact CH2-CD1 4.32Å; W75-L203 HydrophobicContact CZ2-CD1 3.87Å; W75-L203 HydrophobicContact CZ2-CD2 4.09Å; W75-L203 HydrophobicContact CZ2-CG 4.37Å
76	I	96.3	Very high	96.1	Very high	0 Å²	0	66.3 Å²	66.3	0%	0	34%	0.34	C	S	.	.	G	3₁₀ helix	trans	-89.6	-18.5	173.6	-162.4	71.6	0	0	0	111.7	F57 V58 P71 A73 P74 Q78 E79 Y83 W84 Y195	F57-I76 HydrophobicContact CD2-CB 4.44Å; F57-I76 HydrophobicContact CD2-CD1 3.97Å; F57-I76 HydrophobicContact CD2-CG1 4.02Å; F57-I76 HydrophobicContact CE2-CD1 4.32Å; F57-I76 VanDerWaalsContact O-CG2 3.24Å; F57-I76 WeakPolarHBondContact O-CG2 3.34Å; V58-I76 HydrophobicContact CG1-CG1 4.35Å; P71-I76 HydrophobicContact CB-CG2 3.64Å; A73-I76 WeakPolarHBondContact O-CG2 3.36Å; A73-I76 PolarHBondContact O-N 3.44Å; P74-I76 PolarHBondContact O-N 3.05Å; I76-Q78 PolarHBondContact O-N 2.8Å; I76-E79 HydrophobicContact CD1-CG 3.6Å; I76-E79 HydrophobicContact CG1-CG 4.02Å; I76-E79 VanDerWaalsContact O-CB 3.28Å; I76-E79 WeakPolarHBondContact O-CB 3.32Å; I76-E79 VanDerWaalsContact O-CG 3.29Å; I76-E79 WeakPolarHBondContact O-CG 3.38Å; I76-E79 PolarHBondContact O-N 2.88Å; I76-Y83 HydrophobicContact CD1-CE1 4.27Å; I76-Y83 HydrophobicContact CG1-CE1 4.26Å; I76-W84 HydrophobicContact CB-CH2 4.49Å; I76-W84 HydrophobicContact CG1-CH2 3.82Å; I76-W84 HydrophobicContact CG1-CZ2 4.1Å; I76-W84 HydrophobicContact CG2-CH2 4.01Å; I76-W84 HydrophobicContact CG2-CZ2 4.4Å; I76-W84 VanDerWaalsContact O-CZ2 3.31Å; I76-W84 WeakPolarHBondContact O-CZ2 3.26Å; I76-Y195 HydrophobicContact CD1-CD1 3.7Å; I76-Y195 HydrophobicContact CD1-CE1 3.32Å
77	E	95.1	Very high	96.3	Very high	124 Å²	124	65 Å²	65	58%	0.579	33%	0.328	S	S	*	.	T	Hydrogen-bonded Turn	trans	-64.2	-24.2	-176.4	-64.7	-178.7	-175.2	0	0	113.3	P71 P74 E79	P71-E77 HydrophobicContact CB-CG 3.75Å; P71-E77 HydrophobicContact CG-CG 3.99Å; P74-E77 WeakPolarHBondContact O-CB 3.28Å; P74-E77 PolarHBondContact O-N 3.49Å; P74-E77 VanDerWaalsContact O-N 3.09Å; E77-E79 PolarHBondContact O-N 2.99Å
78	Q	93.6	Very high	96.4	Very high	122 Å²	122	61.5 Å²	61.5	57%	0.57	31%	0.312	S	S	*	.	T	Hydrogen-bonded Turn	trans	-70.9	-9.4	175.4	66.4	-177.6	-13	0	0	114.1	W75 I76 N198	W75-Q78 WeakPolarHBondContact O-CG 3.39Å; W75-Q78 PolarHBondContact O-NE2 3.19Å; W75-Q78 VanDerWaalsContact O-NE2 3.13Å; I76-Q78 PolarHBondContact O-N 2.8Å; Q78-N198 PolarHBondContact NE2-ND2 2.85Å; Q78-N198 VanDerWaalsContact NE2-ND2 3.2Å; Q78-N198 PolarHBondContact NE2-OD1 2.83Å
79	E	95	Very high	96.5	Very high	9 Å²	9	63.6 Å²	63.6	4%	0.042	32%	0.317	C	S	.	.	S	Bend	trans	-61.7	136.6	173.2	-71.2	-64.3	159.1	0	0	111.2	I76 E77 Y83 W84 R194	I76-E79 HydrophobicContact CD1-CG 3.6Å; I76-E79 HydrophobicContact CG1-CG 4.02Å; I76-E79 VanDerWaalsContact O-CB 3.28Å; I76-E79 WeakPolarHBondContact O-CB 3.32Å; I76-E79 VanDerWaalsContact O-CG 3.29Å; I76-E79 WeakPolarHBondContact O-CG 3.38Å; I76-E79 PolarHBondContact O-N 2.88Å; E77-E79 PolarHBondContact O-N 2.99Å; E79-Y83 HydrophobicContact CB-CD1 3.46Å; E79-Y83 VanDerWaalsContact CB-CD1 3.46Å; E79-Y83 HydrophobicContact CB-CE1 4.09Å; E79-Y83 HydrophobicContact CB-CG 3.83Å; E79-Y83 HydrophobicContact CG-CD1 3.75Å; E79-Y83 HydrophobicContact CG-CD2 4.47Å; E79-Y83 HydrophobicContact CG-CE1 3.97Å; E79-Y83 HydrophobicContact CG-CG 4.01Å; E79-W84 HydrophobicContact CB-CZ2 4.22Å; E79-W84 PolarHBondContact O-NE1 3.29Å; E79-R194 VanDerWaalsContact CD-NH1 3.29Å; E79-R194 IonicContact OE1-CZ 2.72Å; E79-R194 IonicContact OE1-NE 3.39Å; E79-R194 PolarHBondContact OE1-NE 2.84Å; E79-R194 IonicContact OE1-NH1 3.38Å; E79-R194 PolarHBondContact OE1-NH1 2.87Å; E79-R194 VanDerWaalsContact OE1-NH1 3.09Å; E79-R194 IonicContact OE1-NH2 2.67Å; E79-R194 PolarHBondContact OE1-NH2 2.96Å; E79-R194 IonicContact OE2-CZ 3.43Å; E79-R194 IonicContact OE2-NH1 3.35Å; E79-R194 PolarHBondContact OE2-NH1 2.92Å; E79-R194 IonicContact OE2-NH2 2.79Å; E79-R194 PolarHBondContact OE2-NH2 2.87Å
80	G	95.5	Very high	96.4	Very high	34 Å²	34	65.7 Å²	65.7	35%	0.351	33%	0.328	S	S	.	.			trans	-69.8	166.2	-177.8	0	0	0	0	0	113.6	E82 Y83 W84	G80-E82 PolarHBondContact O-N 2.88Å; G80-E82 VanDerWaalsContact O-N 3.16Å; G80-Y83 WeakPolarHBondContact O-CB 3.44Å; G80-Y83 PolarHBondContact O-N 3.33Å; G80-W84 VanDerWaalsContact O-CD1 3.28Å; G80-W84 PolarHBondContact O-N 2.94Å
81	P	96.6	Very high	96.4	Very high	97 Å²	97	63.1 Å²	63.1	63%	0.63	32%	0.316	S	S	*	.	H	α-helix	trans	-57.6	-33	-179.1	23.2	-33.8	0	0	0	113.2	Y83 W84 D85	P81-Y83 VanDerWaalsContact C-N 3.3Å; P81-Y83 PolarHBondContact O-N 3.03Å; P81-W84 PolarHBondContact O-N 2.87Å; P81-D85 WeakPolarHBondContact O-CB 3.37Å; P81-D85 PolarHBondContact O-N 2.82Å
82	E	97.3	Very high	96.4	Very high	165 Å²	165	64.9 Å²	64.9	77%	0.771	32%	0.319	S	S	*	.	H	α-helix	trans	-60.3	-38.2	177.6	-64	-177.7	176.3	0	0	112.7	G80 Q86	G80-E82 PolarHBondContact O-N 2.88Å; G80-E82 VanDerWaalsContact O-N 3.16Å; E82-Q86 WeakPolarHBondContact O-CB 3.41Å; E82-Q86 PolarHBondContact O-N 2.76Å
83	Y	95.7	Very high	96.4	Very high	31 Å²	31	62 Å²	62	12%	0.122	32%	0.32	C	S	.	.	H	α-helix	trans	-64	-50.9	175.5	171.1	-94.7	0	0	0	110.5	I76 E79 G80 P81 D85 Q86 E87 Y195	I76-Y83 HydrophobicContact CD1-CE1 4.27Å; I76-Y83 HydrophobicContact CG1-CE1 4.26Å; E79-Y83 HydrophobicContact CB-CD1 3.46Å; E79-Y83 VanDerWaalsContact CB-CD1 3.46Å; E79-Y83 HydrophobicContact CB-CE1 4.09Å; E79-Y83 HydrophobicContact CB-CG 3.83Å; E79-Y83 HydrophobicContact CG-CD1 3.75Å; E79-Y83 HydrophobicContact CG-CD2 4.47Å; E79-Y83 HydrophobicContact CG-CE1 3.97Å; E79-Y83 HydrophobicContact CG-CG 4.01Å; G80-Y83 WeakPolarHBondContact O-CB 3.44Å; G80-Y83 PolarHBondContact O-N 3.33Å; P81-Y83 VanDerWaalsContact C-N 3.3Å; P81-Y83 PolarHBondContact O-N 3.03Å; Y83-D85 PolarHBondContact O-N 2.8Å; Y83-Q86 PolarHBondContact O-N 2.81Å; Y83-E87 HydrophobicContact CD1-CG 4.46Å; Y83-E87 HydrophobicContact CD2-CG 4.19Å; Y83-E87 HydrophobicContact CE1-CG 4.09Å; Y83-E87 HydrophobicContact CE2-CG 3.77Å; Y83-E87 WeakPolarHBondContact O-CB 3.38Å; Y83-E87 WeakPolarHBondContact O-CG 3.28Å; Y83-E87 PolarHBondContact O-N 2.78Å; Y83-Y195 WeakPolarHBondContact CE2-OH 3.17Å; Y83-Y195 PolarHBondContact OH-OH 3.01Å
84	W	97.9	Very high	96.5	Very high	39 Å²	39	63.9 Å²	63.9	15%	0.148	33%	0.328	C	S	.	.	H	α-helix	trans	-64.2	-39.8	-178.2	-64.8	113	0	0	0	113	V58 M69 P71 I76 E79 G80 P81 T88	V58-W84 HydrophobicContact CG1-CH2 4.17Å; V58-W84 HydrophobicContact CG1-CZ3 3.98Å; M69-W84 HydrophobicContact CB-CE3 4.2Å; M69-W84 HydrophobicContact CB-CZ3 4.49Å; M69-W84 HydrophobicContact CG-CE3 4.08Å; M69-W84 HydrophobicContact CG-CZ3 3.91Å; P71-W84 HydrophobicContact CB-CH2 3.6Å; P71-W84 HydrophobicContact CB-CZ2 3.95Å; P71-W84 HydrophobicContact CB-CZ3 4.48Å; P71-W84 HydrophobicContact CG-CH2 4.22Å; P71-W84 HydrophobicContact CG-CZ2 4.36Å; I76-W84 HydrophobicContact CB-CH2 4.49Å; I76-W84 HydrophobicContact CG1-CH2 3.82Å; I76-W84 HydrophobicContact CG1-CZ2 4.1Å; I76-W84 HydrophobicContact CG2-CH2 4.01Å; I76-W84 HydrophobicContact CG2-CZ2 4.4Å; I76-W84 VanDerWaalsContact O-CZ2 3.31Å; I76-W84 WeakPolarHBondContact O-CZ2 3.26Å; E79-W84 HydrophobicContact CB-CZ2 4.22Å; E79-W84 PolarHBondContact O-NE1 3.29Å; G80-W84 VanDerWaalsContact O-CD1 3.28Å; G80-W84 PolarHBondContact O-N 2.94Å; P81-W84 PolarHBondContact O-N 2.87Å; W84-T88 WeakPolarHBondContact O-CB 3.43Å; W84-T88 PolarHBondContact O-N 2.7Å; W84-T88 PolarHBondContact O-OG1 3.17Å
85	D	98	Very high	96.6	Very high	87 Å²	87	59.9 Å²	59.9	47%	0.465	30%	0.303	S	S	.	.	H	α-helix	trans	-67.6	-41.5	175.9	-76.1	-19.4	0	0	0	111.2	P81 Y83 R89	P81-D85 WeakPolarHBondContact O-CB 3.37Å; P81-D85 PolarHBondContact O-N 2.82Å; Y83-D85 PolarHBondContact O-N 2.8Å; D85-R89 WeakPolarHBondContact O-CB 3.46Å; D85-R89 VanDerWaalsContact O-CG 3.32Å; D85-R89 WeakPolarHBondContact O-CG 3.38Å; D85-R89 PolarHBondContact O-N 2.84Å
86	Q	97.1	Very high	96.8	Very high	77 Å²	77	64.5 Å²	64.5	36%	0.36	33%	0.325	S	S	.	.	H	α-helix	trans	-64.3	-49.2	176.5	-174.7	58.9	41.3	0	0	111.8	E82 Y83 T88 R89 N90	E82-Q86 WeakPolarHBondContact O-CB 3.41Å; E82-Q86 PolarHBondContact O-N 2.76Å; Y83-Q86 PolarHBondContact O-N 2.81Å; Q86-T88 VanDerWaalsContact C-N 3.33Å; Q86-T88 PolarHBondContact O-N 2.91Å; Q86-R89 PolarHBondContact O-N 3.34Å; Q86-N90 PolarHBondContact NE2-OD1 3.37Å; Q86-N90 PolarHBondContact O-N 2.98Å; Q86-N90 PolarHBondContact O-ND2 2.99Å; Q86-N90 PolarHBondContact O-OD1 2.98Å
87	E	96.8	Very high	96.9	Very high	30 Å²	30	67.9 Å²	67.9	14%	0.14	35%	0.346	C	S	.	.	H	α-helix	trans	-64.3	-39.1	179.3	-72.2	-53.3	110.4	0	0	111.8	M69 Y83 R89 N90 M91	M69-E87 HydrophobicContact CB-CB 4.1Å; M69-E87 HydrophobicContact CE-CB 4.14Å; M69-E87 HydrophobicContact CG-CB 4.06Å; Y83-E87 HydrophobicContact CD1-CG 4.46Å; Y83-E87 HydrophobicContact CD2-CG 4.19Å; Y83-E87 HydrophobicContact CE1-CG 4.09Å; Y83-E87 HydrophobicContact CE2-CG 3.77Å; Y83-E87 WeakPolarHBondContact O-CB 3.38Å; Y83-E87 WeakPolarHBondContact O-CG 3.28Å; Y83-E87 PolarHBondContact O-N 2.78Å; E87-R89 PolarHBondContact O-N 2.69Å; E87-N90 PolarHBondContact O-N 3.35Å; E87-N90 PolarHBondContact OE1-ND2 3.34Å; E87-N90 VanDerWaalsContact OE1-ND2 3.12Å; E87-M91 WeakPolarHBondContact O-CG 3.4Å; E87-M91 PolarHBondContact O-N 3.3Å
88	T	98.3	Very high	96.9	Very high	12 Å²	12	62 Å²	62	7%	0.074	32%	0.319	C	S	.	.	H	α-helix	trans	-60.9	-45.6	173.3	-63.8	0	0	0	0	111.6	K68 M69 W84 Q86 M91 K92	K68-T88 HydrophobicContact CB-CG2 4.43Å; K68-T88 HydrophobicContact CG-CG2 4.29Å; M69-T88 PolarHBondContact N-OG1 2.63Å; W84-T88 WeakPolarHBondContact O-CB 3.43Å; W84-T88 PolarHBondContact O-N 2.7Å; W84-T88 PolarHBondContact O-OG1 3.17Å; Q86-T88 VanDerWaalsContact C-N 3.33Å; Q86-T88 PolarHBondContact O-N 2.91Å; T88-M91 PolarHBondContact O-N 2.88Å; T88-K92 HydrophobicContact CG2-CD 4.34Å; T88-K92 WeakPolarHBondContact O-CG 3.33Å; T88-K92 PolarHBondContact O-N 2.94Å
89	R	98.2	Very high	97.1	Very high	157 Å²	157	61.3 Å²	61.3	59%	0.592	31%	0.31	S	S	*	.	H	α-helix	trans	-62.6	-43.2	176.6	-75.1	-171.7	-60.4	-162.9	2.4	111.6	D85 Q86 E87 M91 K92 A93	D85-R89 WeakPolarHBondContact O-CB 3.46Å; D85-R89 VanDerWaalsContact O-CG 3.32Å; D85-R89 WeakPolarHBondContact O-CG 3.38Å; D85-R89 PolarHBondContact O-N 2.84Å; Q86-R89 PolarHBondContact O-N 3.34Å; E87-R89 PolarHBondContact O-N 2.69Å; R89-M91 PolarHBondContact O-N 2.93Å; R89-K92 PolarHBondContact O-N 2.98Å; R89-A93 PolarHBondContact O-N 2.92Å
90	N	96.4	Very high	97.2	Very high	53 Å²	53	63.7 Å²	63.7	28%	0.283	33%	0.332	S	S	.	.	H	α-helix	trans	-58.3	-47.4	176.8	-68.3	-18.3	0	0	0	110.9	Q86 E87 A93 H94	Q86-N90 PolarHBondContact NE2-OD1 3.37Å; Q86-N90 PolarHBondContact O-N 2.98Å; Q86-N90 PolarHBondContact O-ND2 2.99Å; Q86-N90 PolarHBondContact O-OD1 2.98Å; E87-N90 PolarHBondContact O-N 3.35Å; E87-N90 PolarHBondContact OE1-ND2 3.34Å; E87-N90 VanDerWaalsContact OE1-ND2 3.12Å; N90-A93 PolarHBondContact O-N 3.49Å; N90-H94 PolarHBondContact O-CD2 3.2Å; N90-H94 PolarHBondContact O-N 2.95Å
91	M	97.7	Very high	97.3	Very high	3 Å²	3	65 Å²	65	2%	0.015	33%	0.331	C	S	.	.	H	α-helix	trans	-67.2	-38.2	-179.6	-68.5	-52.3	102.6	0	0	112.7	F33 F46 A48 F60 M69 E87 T88 R89 A93 H94 S95	F33-M91 HydrophobicContact CE1-CE 4.28Å; F33-M91 HydrophobicContact CE1-SD 3.84Å; F33-M91 HydrophobicContact CE2-CE 4.45Å; F33-M91 HydrophobicContact CZ-CE 3.69Å; F33-M91 HydrophobicContact CZ-SD 3.75Å; F46-M91 HydrophobicContact CE1-CB 4.35Å; F46-M91 HydrophobicContact CE1-SD 4.25Å; F46-M91 HydrophobicContact CZ-SD 4.37Å; A48-M91 HydrophobicContact CB-SD 3.58Å; A48-M91 VanDerWaalsContact CB-SD 3.58Å; F60-M91 HydrophobicContact CB-CB 4.17Å; F60-M91 HydrophobicContact CB-CG 3.97Å; F60-M91 HydrophobicContact CD1-CB 4.05Å; F60-M91 HydrophobicContact CD2-CB 3.64Å; F60-M91 HydrophobicContact CD2-CG 4.2Å; F60-M91 HydrophobicContact CE1-CB 4.37Å; F60-M91 HydrophobicContact CE2-CB 3.97Å; F60-M91 HydrophobicContact CG-CB 3.69Å; F60-M91 HydrophobicContact CG-CG 4.07Å; F60-M91 HydrophobicContact CZ-CB 4.34Å; M69-M91 HydrophobicContact CE-CE 4.33Å; M69-M91 HydrophobicContact CE-CG 3.29Å; M69-M91 HydrophobicContact CE-SD 3.89Å; M69-M91 HydrophobicContact SD-CG 4.4Å; E87-M91 WeakPolarHBondContact O-CG 3.4Å; E87-M91 PolarHBondContact O-N 3.3Å; T88-M91 PolarHBondContact O-N 2.88Å; R89-M91 PolarHBondContact O-N 2.93Å; M91-A93 PolarHBondContact O-N 2.91Å; M91-H94 PolarHBondContact O-N 3.42Å; M91-S95 WeakPolarHBondContact O-CB 2.94Å; M91-S95 PolarHBondContact O-N 3.5Å
92	K	97.9	Very high	97.4	Very high	86 Å²	86	60.8 Å²	60.8	37%	0.374	30%	0.303	S	S	.	.	H	α-helix	trans	-62.8	-42	173.6	-73.4	-176.3	179.6	-172.6	0	111.9	F60 Q67 T88 R89 S95 Q96	F60-K92 HydrophobicContact CE2-CG 4.17Å; F60-K92 HydrophobicContact CZ-CG 3.96Å; Q67-K92 WeakPolarHBondContact O-CE 3.37Å; Q67-K92 PolarHBondContact O-NZ 3.4Å; T88-K92 HydrophobicContact CG2-CD 4.34Å; T88-K92 WeakPolarHBondContact O-CG 3.33Å; T88-K92 PolarHBondContact O-N 2.94Å; R89-K92 PolarHBondContact O-N 2.98Å; K92-S95 PolarHBondContact O-N 3.15Å; K92-Q96 WeakPolarHBondContact O-CG 3.39Å; K92-Q96 PolarHBondContact O-N 2.61Å; K92-Q96 VanDerWaalsContact O-N 3.15Å
93	A	97.8	Very high	97.3	Very high	57 Å²	57	54.7 Å²	54.7	47%	0.471	29%	0.285	S	S	.	.	H	α-helix	trans	-64.7	-41.1	175.8	0	0	0	0	0	112.2	R89 N90 M91 Q96 T97	R89-A93 PolarHBondContact O-N 2.92Å; N90-A93 PolarHBondContact O-N 3.49Å; M91-A93 PolarHBondContact O-N 2.91Å; A93-Q96 PolarHBondContact O-N 2.89Å; A93-T97 PolarHBondContact O-N 2.89Å; A93-T97 PolarHBondContact O-OG1 2.88Å
94	H	96.8	Very high	97.4	Very high	44 Å²	44	56 Å²	56	20%	0.204	30%	0.295	C	S	.	.	H	α-helix	trans	-62	-45.2	173.8	-90.3	-68.5	0	0	0	112.3	F33 F46 N90 M91 Q96 T97 D98	F33-H94 HydrophobicContact CE2-CB 4.35Å; F33-H94 AromaticContact CE2-CG 3.86Å; F33-H94 AromaticContact CE2-ND1 3.95Å; F46-H94 HydrophobicContact CE2-CB 4.2Å; F46-H94 HydrophobicContact CZ-CB 3.95Å; N90-H94 PolarHBondContact O-CD2 3.2Å; N90-H94 PolarHBondContact O-N 2.95Å; M91-H94 PolarHBondContact O-N 3.42Å; H94-Q96 VanDerWaalsContact C-N 3.32Å; H94-Q96 PolarHBondContact O-N 3.14Å; H94-T97 WeakPolarHBondContact O-CB 3.24Å; H94-T97 PolarHBondContact O-N 3.14Å; H94-T97 VanDerWaalsContact O-N 3.08Å; H94-D98 PolarHBondContact O-N 2.88Å
95	S	97.4	Very high	97.4	Very high	17 Å²	17	54.6 Å²	54.6	12%	0.119	29%	0.291	C	S	.	.	H	α-helix	trans	-56.8	-42.3	176.1	174.9	0	0	0	0	112.8	F46 M91 K92 R99	F46-S95 WeakPolarHBondContact CB-OG 3.03Å; M91-S95 WeakPolarHBondContact O-CB 2.94Å; M91-S95 PolarHBondContact O-N 3.5Å; K92-S95 PolarHBondContact O-N 3.15Å; S95-R99 WeakPolarHBondContact O-CB 3.13Å; S95-R99 PolarHBondContact O-N 2.97Å
96	Q	97.6	Very high	97.4	Very high	110 Å²	110	53.9 Å²	53.9	51%	0.514	28%	0.282	S	S	.	.	H	α-helix	trans	-68.7	-36.7	175.6	-64	-53.1	-47.3	0	0	112.7	K92 A93 H94 R99 A100	K92-Q96 WeakPolarHBondContact O-CG 3.39Å; K92-Q96 PolarHBondContact O-N 2.61Å; K92-Q96 VanDerWaalsContact O-N 3.15Å; A93-Q96 PolarHBondContact O-N 2.89Å; H94-Q96 VanDerWaalsContact C-N 3.32Å; H94-Q96 PolarHBondContact O-N 3.14Å; Q96-R99 PolarHBondContact O-N 2.79Å; Q96-A100 PolarHBondContact O-N 3.29Å; Q96-A100 VanDerWaalsContact O-N 3.16Å
97	T	97.4	Very high	97.4	Very high	71 Å²	71	52.3 Å²	52.3	44%	0.436	29%	0.286	S	S	.	.	H	α-helix	trans	-64	-46.9	176.3	-58.2	0	0	0	0	110.8	A93 H94 R99 A100 N101	A93-T97 PolarHBondContact O-N 2.89Å; A93-T97 PolarHBondContact O-OG1 2.88Å; H94-T97 WeakPolarHBondContact O-CB 3.24Å; H94-T97 PolarHBondContact O-N 3.14Å; H94-T97 VanDerWaalsContact O-N 3.08Å; T97-R99 VanDerWaalsContact C-N 3.33Å; T97-R99 PolarHBondContact O-N 3.48Å; T97-A100 PolarHBondContact O-N 3.01Å; T97-N101 VanDerWaalsContact O-CG 3.25Å; T97-N101 PolarHBondContact O-N 2.97Å; T97-N101 PolarHBondContact O-ND2 2.88Å
98	D	97	Very high	97.4	Very high	2 Å²	2	53.5 Å²	53.5	1%	0.011	29%	0.29	C	S	.	.	H	α-helix	trans	-65.5	-36.3	179	-81.2	16	0	0	0	112.2	S35 F46 H94 A100 N101 L102	S35-D98 WeakPolarHBondContact OG-CB 3.46Å; S35-D98 PolarHBondContact OG-OD2 3.34Å; F46-D98 HydrophobicContact CD2-CB 4.45Å; H94-D98 PolarHBondContact O-N 2.88Å; D98-A100 PolarHBondContact O-N 3.47Å; D98-N101 PolarHBondContact O-N 2.88Å; D98-L102 WeakPolarHBondContact O-CG 3.38Å; D98-L102 PolarHBondContact O-N 3.13Å
99	R	97.1	Very high	97.4	Very high	106 Å²	106	56.2 Å²	56.2	40%	0.4	30%	0.299	S	S	.	.	H	α-helix	trans	-56.4	-48.3	170.9	173.9	-170.2	168.8	161.6	16.5	111.6	E43 P44 S95 Q96 T97 N101 L102 G103	E43-R99 IonicContact OE1-CZ 2.79Å; E43-R99 IonicContact OE1-NE 2.83Å; E43-R99 IonicContact OE1-NH1 3.52Å; E43-R99 PolarHBondContact OE1-NH1 3.45Å; E43-R99 IonicContact OE1-NH2 3.95Å; E43-R99 PolarHBondContact OE1-NH2 2.8Å; E43-R99 WeakPolarHBondContact OE2-CD 3.47Å; E43-R99 IonicContact OE2-CZ 2.66Å; E43-R99 IonicContact OE2-NE 3.69Å; E43-R99 PolarHBondContact OE2-NE 2.9Å; E43-R99 IonicContact OE2-NH1 3.69Å; E43-R99 PolarHBondContact OE2-NH1 2.97Å; E43-R99 VanDerWaalsContact OE2-NH1 3.1Å; E43-R99 IonicContact OE2-NH2 3.67Å; E43-R99 PolarHBondContact OE2-NH2 2.03Å; P44-R99 HydrophobicContact CG-CB 4.39Å; P44-R99 HydrophobicContact CG-CG 4.18Å; S95-R99 WeakPolarHBondContact O-CB 3.13Å; S95-R99 PolarHBondContact O-N 2.97Å; Q96-R99 PolarHBondContact O-N 2.79Å; T97-R99 VanDerWaalsContact C-N 3.33Å; T97-R99 PolarHBondContact O-N 3.48Å; R99-N101 VanDerWaalsContact C-N 3.33Å; R99-L102 PolarHBondContact O-N 3.29Å; R99-G103 PolarHBondContact O-N 3.47Å
100	A	97.5	Very high	97.3	Very high	59 Å²	59	55.9 Å²	55.9	49%	0.488	31%	0.309	S	S	.	.	H	α-helix	trans	-66.3	-37.7	177.8	0	0	0	0	0	111.8	Q96 T97 D98 G103 T104	Q96-A100 PolarHBondContact O-N 3.29Å; Q96-A100 VanDerWaalsContact O-N 3.16Å; T97-A100 PolarHBondContact O-N 3.01Å; D98-A100 PolarHBondContact O-N 3.47Å; A100-G103 PolarHBondContact O-N 2.84Å; A100-T104 PolarHBondContact O-N 2.88Å; A100-T104 PolarHBondContact O-OG1 2.85Å
101	N	97.8	Very high	97.3	Very high	63 Å²	63	56.2 Å²	56.2	34%	0.337	31%	0.309	S	S	.	.	H	α-helix	trans	-66.1	-38.1	177.2	-70.5	-22.6	0	0	0	112.3	T97 D98 R99 G103 T104 L105 I119	T97-N101 VanDerWaalsContact O-CG 3.25Å; T97-N101 PolarHBondContact O-N 2.97Å; T97-N101 PolarHBondContact O-ND2 2.88Å; D98-N101 PolarHBondContact O-N 2.88Å; R99-N101 VanDerWaalsContact C-N 3.33Å; N101-G103 VanDerWaalsContact C-N 3.3Å; N101-G103 PolarHBondContact O-N 3.32Å; N101-T104 WeakPolarHBondContact O-CB 3.2Å; N101-T104 PolarHBondContact O-N 3.46Å; N101-T104 VanDerWaalsContact O-N 3.11Å; N101-L105 WeakPolarHBondContact O-CB 3.32Å; N101-L105 WeakPolarHBondContact O-CG 3.32Å; N101-L105 PolarHBondContact O-N 3.13Å; N101-I119 HydrophobicContact CB-CD1 3.68Å
102	L	97.8	Very high	97.2	Very high	8 Å²	8	59.7 Å²	59.7	4%	0.042	33%	0.333	C	S	.	.	H	α-helix	trans	-57.2	-44.6	175	-81.2	163.7	0	0	0	111.2	P44 D98 R99 R106 H117 I119 Y142	P44-L102 HydrophobicContact CB-CD1 3.56Å; P44-L102 HydrophobicContact CG-CD1 3.69Å; D98-L102 WeakPolarHBondContact O-CG 3.38Å; D98-L102 PolarHBondContact O-N 3.13Å; R99-L102 PolarHBondContact O-N 3.29Å; L102-R106 VanDerWaalsContact O-CB 3.32Å; L102-R106 WeakPolarHBondContact O-CB 3.27Å; L102-R106 PolarHBondContact O-N 3.47Å; L102-R106 VanDerWaalsContact O-N 3.08Å; L102-H117 HydrophobicContact CD2-CB 4.09Å; L102-I119 HydrophobicContact CB-CD1 4.41Å; L102-I119 HydrophobicContact CD2-CD1 3.95Å; L102-I119 HydrophobicContact CD2-CG1 3.74Å; L102-I119 HydrophobicContact CG-CD1 3.71Å; L102-I119 HydrophobicContact CG-CG1 4.07Å; L102-Y142 HydrophobicContact CD2-CE2 4.33Å
103	G	96	Very high	96.8	Very high	37 Å²	37	61.8 Å²	61.8	38%	0.381	35%	0.345	S	S	.	.	H	α-helix	trans	-65.9	-38.4	175.1	0	0	0	0	0	113.1	R99 A100 N101 G107	R99-G103 PolarHBondContact O-N 3.47Å; A100-G103 PolarHBondContact O-N 2.84Å; N101-G103 VanDerWaalsContact C-N 3.3Å; N101-G103 PolarHBondContact O-N 3.32Å; G103-G107 PolarHBondContact O-N 2.99Å
104	T	97.5	Very high	96.5	Very high	57 Å²	57	66 Å²	66	35%	0.35	36%	0.359	S	S	.	.	H	α-helix	trans	-66.1	-48	178.1	-59.7	0	0	0	0	111.9	A100 N101 G107 Y108	A100-T104 PolarHBondContact O-N 2.88Å; A100-T104 PolarHBondContact O-OG1 2.85Å; N101-T104 WeakPolarHBondContact O-CB 3.2Å; N101-T104 PolarHBondContact O-N 3.46Å; N101-T104 VanDerWaalsContact O-N 3.11Å; T104-G107 PolarHBondContact O-N 2.91Å; T104-Y108 HydrophobicContact CG2-CD1 4.38Å; T104-Y108 HydrophobicContact CG2-CD2 4.45Å; T104-Y108 HydrophobicContact CG2-CE1 3.77Å; T104-Y108 HydrophobicContact CG2-CE2 3.85Å; T104-Y108 VanDerWaalsContact CG2-CZ 3.47Å; T104-Y108 PolarHBondContact O-N 2.93Å
105	L	97.9	Very high	96.4	Very high	11 Å²	11	64.8 Å²	64.8	6%	0.058	36%	0.359	C	S	.	.	H	α-helix	trans	-64	-44.7	179.9	-69.3	174.2	0	0	0	111.1	N101 G107 Y108 Y109 I119 Y142 Y147	N101-L105 WeakPolarHBondContact O-CB 3.32Å; N101-L105 WeakPolarHBondContact O-CG 3.32Å; N101-L105 PolarHBondContact O-N 3.13Å; L105-G107 PolarHBondContact O-N 2.79Å; L105-Y108 HydrophobicContact CD2-CD2 4.26Å; L105-Y108 PolarHBondContact O-N 2.93Å; L105-Y109 HydrophobicContact CD2-CE2 4.42Å; L105-Y109 VanDerWaalsContact O-CD2 3.24Å; L105-Y109 WeakPolarHBondContact O-CD2 3.22Å; L105-Y109 PolarHBondContact O-N 2.74Å; L105-I119 HydrophobicContact CD1-CD1 3.56Å; L105-I119 HydrophobicContact CD1-CG1 3.67Å; L105-Y142 HydrophobicContact CB-CD1 4.42Å; L105-Y142 HydrophobicContact CB-CD2 4.2Å; L105-Y142 HydrophobicContact CB-CE1 4.05Å; L105-Y142 HydrophobicContact CB-CE2 3.82Å; L105-Y142 HydrophobicContact CB-CG 4.48Å; L105-Y142 HydrophobicContact CD1-CD2 3.46Å; L105-Y142 VanDerWaalsContact CD1-CD2 3.46Å; L105-Y142 HydrophobicContact CD1-CE2 3.83Å; L105-Y142 HydrophobicContact CD1-CG 3.88Å; L105-Y142 HydrophobicContact CG-CD2 4.43Å; L105-Y142 HydrophobicContact CG-CE2 4.48Å; L105-Y147 HydrophobicContact CD2-CD2 4.3Å; L105-Y147 HydrophobicContact CD2-CE1 3.84Å; L105-Y147 HydrophobicContact CD2-CE2 3.54Å; L105-Y147 VanDerWaalsContact CD2-OH 3.29Å; L105-Y147 WeakPolarHBondContact CD2-OH 3.38Å
106	R	96.9	Very high	96.3	Very high	71 Å²	71	67.5 Å²	67.5	27%	0.268	38%	0.378	S	S	.	.	H	α-helix	trans	-51.7	-42.8	173.1	-173.7	-171.2	67.9	176.2	10.6	111.7	L102 N110 Q111 E113	L102-R106 VanDerWaalsContact O-CB 3.32Å; L102-R106 WeakPolarHBondContact O-CB 3.27Å; L102-R106 PolarHBondContact O-N 3.47Å; L102-R106 VanDerWaalsContact O-N 3.08Å; R106-N110 PolarHBondContact O-N 2.95Å; R106-N110 VanDerWaalsContact O-N 3.11Å; R106-Q111 HydrophobicContact CG-CB 3.84Å; R106-Q111 PolarHBondContact O-N 3.26Å; R106-E113 IonicContact CZ-OE1 2.72Å; R106-E113 IonicContact NH1-OE1 3.77Å; R106-E113 PolarHBondContact NH1-OE1 2.95Å; R106-E113 IonicContact NH2-OE1 3.66Å; R106-E113 PolarHBondContact NH2-OE1 3.34Å
107	G	97	Very high	96.4	Very high	44 Å²	44	63 Å²	63	45%	0.454	36%	0.357	S	S	.	.	H	α-helix	trans	-65.4	-44.8	175.2	0	0	0	0	0	113.5	G103 T104 L105 Y109 N110	G103-G107 PolarHBondContact O-N 2.99Å; T104-G107 PolarHBondContact O-N 2.91Å; L105-G107 PolarHBondContact O-N 2.79Å; G107-Y109 VanDerWaalsContact C-N 3.26Å; G107-Y109 PolarHBondContact O-N 3.16Å; G107-N110 PolarHBondContact O-N 2.88Å; G107-N110 PolarHBondContact O-OD1 3.26Å
108	Y	97.8	Very high	96.4	Very high	56 Å²	56	61.2 Å²	61.2	22%	0.22	35%	0.346	C	S	.	.	H	α-helix	trans	-61	-35.9	177.9	-67.9	-9.3	0	0	0	113	T104 L105 A163 I166 K170	T104-Y108 HydrophobicContact CG2-CD1 4.38Å; T104-Y108 HydrophobicContact CG2-CD2 4.45Å; T104-Y108 HydrophobicContact CG2-CE1 3.77Å; T104-Y108 HydrophobicContact CG2-CE2 3.85Å; T104-Y108 VanDerWaalsContact CG2-CZ 3.47Å; T104-Y108 PolarHBondContact O-N 2.93Å; L105-Y108 HydrophobicContact CD2-CD2 4.26Å; L105-Y108 PolarHBondContact O-N 2.93Å; Y108-A163 HydrophobicContact CD2-CB 4.46Å; Y108-I166 HydrophobicContact CD1-CD1 4.23Å; Y108-I166 HydrophobicContact CD2-CD1 4.46Å; Y108-I166 HydrophobicContact CE1-CD1 4.39Å; Y108-I166 HydrophobicContact CE1-CG2 4.15Å; Y108-I166 HydrophobicContact CE2-CB 4.11Å; Y108-I166 HydrophobicContact CE2-CG2 4.06Å; Y108-I166 HydrophobicContact CG-CD1 4.27Å; Y108-K170 PolarHBondContact OH-NZ 3.47Å
109	Y	97.7	Very high	96.5	Very high	68 Å²	68	61.4 Å²	61.4	27%	0.267	35%	0.347	S	S	.	.	T	Hydrogen-bonded Turn	trans	-91.9	2.6	179.7	-69.4	-72.7	0	0	0	113.9	L105 G107 Q111 Y142 Y147 D161 A163	L105-Y109 HydrophobicContact CD2-CE2 4.42Å; L105-Y109 VanDerWaalsContact O-CD2 3.24Å; L105-Y109 WeakPolarHBondContact O-CD2 3.22Å; L105-Y109 PolarHBondContact O-N 2.74Å; G107-Y109 VanDerWaalsContact C-N 3.26Å; G107-Y109 PolarHBondContact O-N 3.16Å; Y109-Q111 PolarHBondContact O-N 3.44Å; Y109-Y142 AromaticContact CD2-CD1 3.74Å; Y109-Y142 HydrophobicContact CD2-CD1 3.74Å; Y109-Y142 AromaticContact CD2-CE1 3.49Å; Y109-Y142 HydrophobicContact CD2-CE1 3.49Å; Y109-Y142 VanDerWaalsContact CD2-CE1 3.49Å; Y109-Y142 AromaticContact CE2-CD1 3.49Å; Y109-Y142 HydrophobicContact CE2-CD1 3.49Å; Y109-Y142 VanDerWaalsContact CE2-CD1 3.49Å; Y109-Y142 AromaticContact CE2-CE1 3.78Å; Y109-Y142 HydrophobicContact CE2-CE1 3.78Å; Y109-Y142 HydrophobicContact CE2-CG 4.49Å; Y109-Y142 HydrophobicContact CG-CE1 4.39Å; Y109-Y147 HydrophobicContact CE2-CD2 4.39Å; Y109-Y147 HydrophobicContact CE2-CE2 4.07Å; Y109-Y147 VanDerWaalsContact OH-CD2 3.29Å; Y109-Y147 WeakPolarHBondContact OH-CD2 3.41Å; Y109-Y147 WeakPolarHBondContact OH-CE2 3.46Å; Y109-D161 VanDerWaalsContact CE1-OD2 3.23Å; Y109-D161 WeakPolarHBondContact CE1-OD2 3.24Å; Y109-D161 VanDerWaalsContact OH-CG 3.24Å; Y109-D161 PolarHBondContact OH-OD1 2.83Å; Y109-D161 PolarHBondContact OH-OD2 3.29Å; Y109-A163 HydrophobicContact CD1-CB 4.19Å; Y109-A163 HydrophobicContact CD2-CB 4.43Å; Y109-A163 HydrophobicContact CE1-CB 3.62Å; Y109-A163 HydrophobicContact CE2-CB 3.87Å; Y109-A163 VanDerWaalsContact CZ-CB 3.44Å
110	N	96.6	Very high	96.6	Very high	151 Å²	151	60.3 Å²	60.3	81%	0.807	35%	0.346	S	S	*	.	T	Hydrogen-bonded Turn	trans	51.5	40.5	-176.7	-56.6	-57.3	0	0	0	113.3	R106 G107	R106-N110 PolarHBondContact O-N 2.95Å; R106-N110 VanDerWaalsContact O-N 3.11Å; G107-N110 PolarHBondContact O-N 2.88Å; G107-N110 PolarHBondContact O-OD1 3.26Å
111	Q	96.8	Very high	96.6	Very high	60 Å²	60	57.8 Å²	57.8	28%	0.28	32%	0.324	S	S	.	.			trans	-86.3	155.2	-178	-70.6	164.5	-39.1	0	0	111.8	R106 Y109 H117 Y142 D143	R106-Q111 HydrophobicContact CG-CB 3.84Å; R106-Q111 PolarHBondContact O-N 3.26Å; Y109-Q111 PolarHBondContact O-N 3.44Å; Q111-H117 PolarHBondContact NE2-CE1 3.3Å; Q111-H117 PolarHBondContact OE1-CE1 3.4Å; Q111-Y142 PolarHBondContact OE1-OH 3.02Å; Q111-D143 PolarHBondContact NE2-OD2 3.41Å
112	S	94.4	Very high	96.7	Very high	75 Å²	75	56 Å²	56	52%	0.524	32%	0.315	S	S	.	.			trans	-70.5	156.4	-179.3	65.6	0	0	0	0	112.4	D114	S112-D114 VanDerWaalsContact C-N 3.29Å; S112-D114 PolarHBondContact O-N 3.31Å
113	E	90.6	Very high	96.7	Very high	130 Å²	130	56.4 Å²	56.4	61%	0.607	32%	0.315	S	S	*	.	T	Hydrogen-bonded Turn	trans	-73	-23.4	178.7	-56.6	-152.6	125.8	0	0	113.7	P39 R106 G115	P39-E113 WeakPolarHBondContact CB-O 3.3Å; P39-E113 WeakPolarHBondContact CG-O 3.41Å; R106-E113 IonicContact CZ-OE1 2.72Å; R106-E113 IonicContact NH1-OE1 3.77Å; R106-E113 PolarHBondContact NH1-OE1 2.95Å; R106-E113 IonicContact NH2-OE1 3.66Å; R106-E113 PolarHBondContact NH2-OE1 3.34Å; E113-G115 VanDerWaalsContact C-N 3.27Å; E113-G115 PolarHBondContact O-N 2.64Å
114	D	91.6	Very high	96.7	Very high	145 Å²	145	54.6 Å²	54.6	78%	0.775	30%	0.297	S	S	*	.	T	Hydrogen-bonded Turn	trans	-79.9	-10.7	-178.8	-57.7	-40.4	0	0	0	112.8	S112	S112-D114 VanDerWaalsContact C-N 3.29Å; S112-D114 PolarHBondContact O-N 3.31Å
115	G	93.3	Very high	96.7	Very high	19 Å²	19	51.9 Å²	51.9	20%	0.196	28%	0.281	C	S	.	.			trans	-74	132.2	178.7	0	0	0	0	0	113.1	P39 E113 H117	P39-G115 WeakPolarHBondContact CG-O 3.3Å; E113-G115 VanDerWaalsContact C-N 3.27Å; E113-G115 PolarHBondContact O-N 2.64Å; G115-H117 PolarHBondContact O-CD2 3.2Å
116	S	97.3	Very high	96.5	Very high	74 Å²	74	52.7 Å²	52.7	52%	0.517	29%	0.285	S	S	.	.			trans	-81.3	132.5	164.8	-178.8	0	0	0	0	109.2	S37	S37-S116 WeakPolarHBondContact O-CB 3.45Å; S37-S116 PolarHBondContact O-OG 3.34Å
117	H	98.2	Very high	96.3	Very high	15 Å²	15	49.4 Å²	49.4	7%	0.069	27%	0.273	C	S	.	.			trans	-131.7	151.6	-175.5	-64.8	-70.8	0	0	0	110.3	V36 S37 L102 Q111 G115 Y142 D143	V36-H117 WeakPolarHBondContact CA-O 3.48Å; S37-H117 PolarHBondContact N-O 2.73Å; S37-H117 PolarHBondContact OG-N 2.67Å; S37-H117 PolarHBondContact OG-O 2.89Å; L102-H117 HydrophobicContact CD2-CB 4.09Å; Q111-H117 PolarHBondContact NE2-CE1 3.3Å; Q111-H117 PolarHBondContact OE1-CE1 3.4Å; G115-H117 PolarHBondContact O-CD2 3.2Å; H117-Y142 HydrophobicContact CB-CE2 3.85Å; H117-Y142 WeakPolarHBondContact CB-OH 3.34Å; H117-Y142 AromaticContact ND1-CZ 3.94Å; H117-Y142 PolarHBondContact ND1-OH 3.04Å; H117-D143 WeakPolarHBondContact CA-OD1 2.87Å; H117-D143 IonicContact CE1-OD2 3.55Å; H117-D143 IonicContact CG-OD1 3.21Å; H117-D143 IonicContact CG-OD2 3.45Å; H117-D143 IonicContact ND1-OD1 2.77Å; H117-D143 IonicContact ND1-OD2 3.1Å; H117-D143 PolarHBondContact ND1-OD2 3.36Å
118	T	98.6	Very high	95.9	Very high	34 Å²	34	47.4 Å²	47.4	21%	0.209	25%	0.252	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-126	128.7	-174.6	-56.7	0	0	0	0	110.9	T34 S35 V36 Q120 Y142 D143	T34-T118 HydrophobicContact CG2-CG2 4.03Å; S35-T118 CarbonylContact O-C 3.47Å; S35-T118 VanDerWaalsContact O-CA 3.31Å; S35-T118 WeakPolarHBondContact O-CA 3.31Å; V36-T118 HydrophobicContact CG2-CG2 4.18Å; T118-Q120 HydrophobicContact CG2-CG 3.97Å; T118-Y142 CarbonylContact O-C 3.59Å; T118-Y142 WeakPolarHBondContact O-CA 3.49Å; T118-Y142 VanDerWaalsContact O-CD2 3.24Å; T118-Y142 WeakPolarHBondContact O-CD2 3.46Å; T118-D143 PolarHBondContact N-OD1 2.94Å; T118-D143 PolarHBondContact O-N 2.95Å
119	I	98.8	Very high	95.3	Very high	7 Å²	7	49.2 Å²	49.2	4%	0.036	27%	0.271	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-103.9	132.5	163.1	-66	173.8	0	0	0	107.8	T34 S35 N101 L102 L105 I121 A141 Y142	T34-I119 WeakPolarHBondContact CA-O 3.19Å; S35-I119 PolarHBondContact N-O 3.12Å; S35-I119 PolarHBondContact O-N 2.92Å; N101-I119 HydrophobicContact CB-CD1 3.68Å; L102-I119 HydrophobicContact CB-CD1 4.41Å; L102-I119 HydrophobicContact CD2-CD1 3.95Å; L102-I119 HydrophobicContact CD2-CG1 3.74Å; L102-I119 HydrophobicContact CG-CD1 3.71Å; L102-I119 HydrophobicContact CG-CG1 4.07Å; L105-I119 HydrophobicContact CD1-CD1 3.56Å; L105-I119 HydrophobicContact CD1-CG1 3.67Å; I119-I121 HydrophobicContact CG2-CD1 4.14Å; I119-I121 HydrophobicContact CG2-CG1 4.03Å; I119-A141 WeakPolarHBondContact CA-O 3.48Å; I119-Y142 HydrophobicContact CG1-CD2 3.87Å; I119-Y142 HydrophobicContact CG1-CE2 4.28Å
120	Q	98.8	Very high	94.7	Very high	83 Å²	83	50.5 Å²	50.5	39%	0.388	28%	0.282	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-121.9	138.3	171	-70.6	169.2	-87.4	0	0	109.3	F33 T34 T118 D140 A141	F33-Q120 CarbonylContact O-C 3.59Å; F33-Q120 WeakPolarHBondContact O-CA 3.32Å; T34-Q120 HydrophobicContact CG2-CG 4.12Å; T118-Q120 HydrophobicContact CG2-CG 3.97Å; Q120-D140 CarbonylContact O-C 3.55Å; Q120-D140 WeakPolarHBondContact O-CA 3.39Å; Q120-A141 HydrophobicContact CB-CB 4.28Å; Q120-A141 PolarHBondContact N-O 2.84Å; Q120-A141 PolarHBondContact O-N 3.31Å
121	I	98.4	Very high	94.2	Very high	5 Å²	5	44 Å²	44	3%	0.026	25%	0.251	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-132	131	-179.6	-67.5	164.9	0	0	0	107.9	F32 F33 I119 Y123 Q139 D140	F32-I121 CarbonylContact C-O 3.56Å; F32-I121 VanDerWaalsContact CA-O 3.32Å; F32-I121 WeakPolarHBondContact CA-O 3.43Å; F33-I121 HydrophobicContact CB-CB 4.2Å; F33-I121 HydrophobicContact CD2-CG2 4.43Å; F33-I121 PolarHBondContact N-O 2.85Å; F33-I121 PolarHBondContact O-N 2.9Å; I119-I121 HydrophobicContact CG2-CD1 4.14Å; I119-I121 HydrophobicContact CG2-CG1 4.03Å; I121-Y123 HydrophobicContact CG2-CD1 4.02Å; I121-Q139 CarbonylContact C-O 3.55Å; I121-Q139 WeakPolarHBondContact CA-O 3.18Å; I121-D140 HydrophobicContact CG1-CB 4.32Å
122	M	98.4	Very high	94	Very high	27 Å²	27	49.2 Å²	49.2	13%	0.133	27%	0.268	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-121.4	131.5	167.7	-177.9	-81.5	-69.7	0	0	109.3	Y31 F32 Y137 R138 Q139	Y31-M122 WeakPolarHBondContact O-CA 3.27Å; F32-M122 HydrophobicContact CD1-CB 3.93Å; F32-M122 HydrophobicContact CD1-CG 3.7Å; F32-M122 HydrophobicContact CE1-CB 4.05Å; F32-M122 HydrophobicContact CE1-CG 3.37Å; F32-M122 HydrophobicContact CZ-CG 4.04Å; M122-Y137 HydrophobicContact CE-CD1 4.43Å; M122-Y137 HydrophobicContact CE-CG 4.41Å; M122-R138 CarbonylContact O-C 3.6Å; M122-R138 WeakPolarHBondContact O-CA 3.38Å; M122-Q139 HydrophobicContact CE-CB 4.38Å; M122-Q139 HydrophobicContact CE-CG 4.19Å; M122-Q139 PolarHBondContact N-O 2.81Å; M122-Q139 PolarHBondContact O-N 3.37Å
123	Y	97.5	Very high	94	Very high	15 Å²	15	48.5 Å²	48.5	6%	0.059	26%	0.256	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-147.6	158.7	168.3	69.3	-87.8	0	0	0	111.4	Y31 F33 I121 Y137 Y183	Y31-Y123 HydrophobicContact CD2-CD2 4.47Å; Y31-Y123 AromaticContact CD2-CE2 3.7Å; Y31-Y123 HydrophobicContact CD2-CE2 3.7Å; Y31-Y123 AromaticContact CD2-CZ 3.93Å; Y31-Y123 HydrophobicContact CG-CE1 4.47Å; Y31-Y123 HydrophobicContact CG-CE2 4.07Å; Y31-Y123 AromaticContact CG-CZ 3.82Å; Y31-Y123 PolarHBondContact N-O 2.6Å; Y31-Y123 PolarHBondContact O-N 3.15Å; F33-Y123 HydrophobicContact CD2-CE1 4.27Å; F33-Y123 HydrophobicContact CE1-CE1 4.06Å; F33-Y123 AromaticContact CE2-CE1 3.57Å; F33-Y123 HydrophobicContact CE2-CE1 3.57Å; F33-Y123 AromaticContact CZ-CE1 3.45Å; F33-Y123 HydrophobicContact CZ-CE1 3.45Å; F33-Y123 VanDerWaalsContact CZ-CE1 3.45Å; F33-Y123 AromaticContact CZ-CZ 3.77Å; F33-Y123 WeakPolarHBondContact CZ-OH 3.48Å; I121-Y123 HydrophobicContact CG2-CD1 4.02Å; Y123-Y137 WeakPolarHBondContact CA-O 3.36Å; Y123-Y137 VanDerWaalsContact CB-O 3.23Å; Y123-Y137 WeakPolarHBondContact CB-O 3.39Å; Y123-Y183 AromaticContact CD2-CE1 3.8Å; Y123-Y183 HydrophobicContact CD2-CE1 3.8Å; Y123-Y183 AromaticContact CE2-CE1 3.62Å; Y123-Y183 HydrophobicContact CE2-CE1 3.62Å; Y123-Y183 AromaticContact CE2-CZ 3.88Å
124	G	96.9	Very high	94.1	Very high	0 Å²	0	47.2 Å²	47.2	0%	0	25%	0.253	C	S	.	.	E	Extended strand (participates in β ladder)	trans	163.7	-177.6	-177.2	0	0	0	0	0	113.2	M29 G136 Y137 L184	M29-G124 CarbonylContact O-C 3.57Å; M29-G124 WeakPolarHBondContact O-CA 3.34Å; G124-G136 CarbonylContact O-C 3.59Å; G124-G136 WeakPolarHBondContact O-CA 3.5Å; G124-Y137 PolarHBondContact N-O 2.97Å; G124-Y137 VanDerWaalsContact N-O 3.09Å; G124-Y137 PolarHBondContact O-N 3.35Å; G124-L184 WeakPolarHBondContact O-CD2 3.45Å
125	C	96.4	Very high	94.3	Very high	0 Å²	0	44.6 Å²	44.6	0%	0	23%	0.232	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-133.5	148.7	-179.2	56.1	0	0	0	0	110.6	S28 M29 F133 R135 C188	S28-C125 WeakPolarHBondContact CA-O 3.35Å; M29-C125 PolarHBondContact N-O 3.18Å; M29-C125 PolarHBondContact O-N 2.93Å; C125-F133 HydrophobicContact CB-CD2 4.23Å; C125-F133 HydrophobicContact CB-CE2 3.95Å; C125-R135 CarbonylContact C-O 3.6Å; C125-R135 VanDerWaalsContact CA-O 3.28Å; C125-R135 WeakPolarHBondContact CA-O 3.24Å; C125-C188 HydrophobicContact CB-CB 3.93Å; C125-C188 WeakPolarHBondContact CB-SG 3.45Å; C125-C188 PolarHBondContact N-SG 3.37Å; C125-C188 WeakPolarHBondContact SG-CB 3.28Å; C125-C188 CovalentContact SG-SG 2.04Å; C125-C188 PolarHBondContact SG-SG 3.14Å
126	D	94.9	Very high	94.5	Very high	28 Å²	28	43.9 Å²	43.9	15%	0.15	22%	0.224	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-104.9	141.3	167.5	-60.4	-12.2	0	0	0	108.5	H27 S28 R30 L134 R135 Y137	H27-D126 CarbonylContact O-C 3.58Å; H27-D126 WeakPolarHBondContact O-CA 3.42Å; S28-D126 WeakPolarHBondContact CB-OD1 3.45Å; R30-D126 IonicContact CZ-OD1 2.67Å; R30-D126 IonicContact NE-OD1 3.99Å; R30-D126 PolarHBondContact NE-OD1 3.2Å; R30-D126 IonicContact NH2-OD1 3.95Å; R30-D126 PolarHBondContact NH2-OD1 3.13Å; R30-D126 IonicContact NH2-OD2 2.98Å; R30-D126 PolarHBondContact NH2-OD2 3.44Å; D126-L134 HydrophobicContact CB-CB 4.39Å; D126-L134 PolarHBondContact O-N 3.03Å; D126-R135 HydrophobicContact CB-CB 4.43Å; D126-R135 PolarHBondContact N-O 3.4Å; D126-R135 PolarHBondContact O-N 3.18Å; D126-Y137 HydrophobicContact CB-CE2 4.47Å; D126-Y137 VanDerWaalsContact CG-CE2 3.46Å; D126-Y137 WeakPolarHBondContact OD1-CE2 3.36Å; D126-Y137 WeakPolarHBondContact OD2-CE2 3.32Å; D126-Y137 VanDerWaalsContact OD2-CZ 3.26Å; D126-Y137 PolarHBondContact OD2-OH 3.33Å
127	V	91.8	Very high	94.4	Very high	1 Å²	1	41.9 Å²	41.9	1%	0.006	21%	0.206	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-126.6	148.3	174.9	-56.1	0	0	0	0	111	S26 H27 R132 V189 F192	S26-V127 WeakPolarHBondContact CA-O 3.41Å; H27-V127 HydrophobicContact CB-CG2 4.23Å; H27-V127 PolarHBondContact N-O 3.01Å; H27-V127 PolarHBondContact O-N 3Å; V127-R132 CarbonylContact C-O 3.55Å; V127-R132 WeakPolarHBondContact CA-O 3.23Å; V127-R132 WeakPolarHBondContact CB-O 3.29Å; V127-V189 HydrophobicContact CG1-CG1 4.12Å; V127-V189 HydrophobicContact CG1-CG2 4.14Å; V127-F192 HydrophobicContact CB-CD1 4.39Å; V127-F192 HydrophobicContact CB-CE1 4.37Å; V127-F192 HydrophobicContact CG1-CD1 4.14Å; V127-F192 HydrophobicContact CG2-CD1 3.39Å; V127-F192 HydrophobicContact CG2-CE1 3.03Å; V127-F192 HydrophobicContact CG2-CE2 4.36Å; V127-F192 HydrophobicContact CG2-CG 4.23Å; V127-F192 HydrophobicContact CG2-CZ 3.59Å
128	G	89.8	Confident	94.4	Very high	3 Å²	3	41.6 Å²	41.6	3%	0.031	20%	0.204	C	C	.	.			trans	-78.3	176.1	178.4	0	0	0	0	0	112.2	D130 G131 R132	G128-D130 PolarHBondContact O-N 3.33Å; G128-D130 VanDerWaalsContact O-N 3.14Å; G128-G131 WeakPolarHBondContact O-CA 3Å; G128-G131 PolarHBondContact O-N 3.11Å; G128-R132 PolarHBondContact N-O 3.08Å
129	P	85.7	Confident	94.4	Very high	93 Å²	93	43.8 Å²	43.8	60%	0.604	21%	0.212	S	C	*	.	T	Hydrogen-bonded Turn	trans	-59.5	-25.9	177.6	-26.6	37.2	0	0	0	113.8	A24 G25 G131	A24-P129 HydrophobicContact CB-CG 4.38Å; A24-P129 WeakPolarHBondContact O-CG 3.16Å; G25-P129 WeakPolarHBondContact O-CA 3.02Å; P129-G131 PolarHBondContact O-N 3.29Å
130	D	85	Confident	94.4	Very high	95 Å²	95	44.3 Å²	44.3	51%	0.508	22%	0.215	S	C	.	.	T	Hydrogen-bonded Turn	trans	-84.2	6	175.7	67.2	-12.4	0	0	0	113.1	G128 R132	G128-D130 PolarHBondContact O-N 3.33Å; G128-D130 VanDerWaalsContact O-N 3.14Å; D130-R132 PolarHBondContact O-N 3.47Å; D130-R132 WeakPolarHBondContact OD1-CB 3.38Å; D130-R132 PolarHBondContact OD1-N 3.2Å; D130-R132 VanDerWaalsContact OD1-N 3.13Å; D130-R132 WeakPolarHBondContact OD2-CD 3.42Å; D130-R132 VanDerWaalsContact OD2-CG 3.32Å; D130-R132 WeakPolarHBondContact OD2-CG 3.45Å; D130-R132 IonicContact OD2-CZ 3.7Å; D130-R132 IonicContact OD2-NE 3.66Å; D130-R132 PolarHBondContact OD2-NE 2.84Å; D130-R132 IonicContact OD2-NH1 3.91Å
131	G	85.8	Confident	94.4	Very high	15 Å²	15	41.1 Å²	41.1	16%	0.155	20%	0.203	C	C	.	.	S	Bend	trans	69.2	17.3	-178.7	0	0	0	0	0	113.7	G128 P129 R193	G128-G131 WeakPolarHBondContact O-CA 3Å; G128-G131 PolarHBondContact O-N 3.11Å; P129-G131 PolarHBondContact O-N 3.29Å; G131-R193 PolarHBondContact O-NE 2.99Å; G131-R193 VanDerWaalsContact O-NE 3.12Å; G131-R193 PolarHBondContact O-NH2 3.34Å
132	R	91.2	Very high	94.4	Very high	169 Å²	169	41.4 Å²	41.4	64%	0.638	20%	0.204	S	C	*	.			trans	-89.5	148.6	176.1	-63.8	-173.5	-170.1	166.3	0.9	111.3	V127 G128 D130 L134	V127-R132 CarbonylContact C-O 3.55Å; V127-R132 WeakPolarHBondContact CA-O 3.23Å; V127-R132 WeakPolarHBondContact CB-O 3.29Å; G128-R132 PolarHBondContact N-O 3.08Å; D130-R132 PolarHBondContact O-N 3.47Å; D130-R132 WeakPolarHBondContact OD1-CB 3.38Å; D130-R132 PolarHBondContact OD1-N 3.2Å; D130-R132 VanDerWaalsContact OD1-N 3.13Å; D130-R132 WeakPolarHBondContact OD2-CD 3.42Å; D130-R132 VanDerWaalsContact OD2-CG 3.32Å; D130-R132 WeakPolarHBondContact OD2-CG 3.45Å; D130-R132 IonicContact OD2-CZ 3.7Å; D130-R132 IonicContact OD2-NE 3.66Å; D130-R132 PolarHBondContact OD2-NE 2.84Å; D130-R132 IonicContact OD2-NH1 3.91Å; R132-L134 PolarHBondContact O-N 3.43Å
133	F	94.6	Very high	94.4	Very high	60 Å²	60	43.1 Å²	43.1	26%	0.263	21%	0.214	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-57	127.8	174.4	-177.7	-101.2	0	0	0	111.1	C125 R135 G136 L154 L184 E185 V189	C125-F133 HydrophobicContact CB-CD2 4.23Å; C125-F133 HydrophobicContact CB-CE2 3.95Å; F133-R135 WeakPolarHBondContact CE2-O 3.24Å; F133-G136 VanDerWaalsContact CZ-N 3.25Å; F133-L154 HydrophobicContact CE1-CD1 3.96Å; F133-L154 HydrophobicContact CZ-CD1 3.69Å; F133-L184 HydrophobicContact CE2-CB 4.4Å; F133-L184 WeakPolarHBondContact CE2-O 3.48Å; F133-E185 HydrophobicContact CD1-CG 4.23Å; F133-E185 HydrophobicContact CE1-CG 4.03Å; F133-E185 HydrophobicContact CE2-CG 4.46Å; F133-E185 HydrophobicContact CZ-CG 4.14Å; F133-V189 HydrophobicContact CB-CG2 4.01Å; F133-V189 HydrophobicContact CD2-CG2 3.72Å; F133-V189 HydrophobicContact CG-CG2 4.34Å
134	L	94.3	Very high	94.3	Very high	104 Å²	104	45.2 Å²	45.2	55%	0.545	24%	0.239	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-105.5	-50.2	172.6	-66.5	179.3	0	0	0	111.3	D126 R132	D126-L134 HydrophobicContact CB-CB 4.39Å; D126-L134 PolarHBondContact O-N 3.03Å; R132-L134 PolarHBondContact O-N 3.43Å
135	R	95.1	Very high	94.4	Very high	89 Å²	89	52.9 Å²	52.9	34%	0.336	27%	0.273	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-155.6	149.1	-171.3	-173.6	164.9	167.7	149.1	6.2	111.5	C125 D126 F133 Y137 E152	C125-R135 CarbonylContact C-O 3.6Å; C125-R135 VanDerWaalsContact CA-O 3.28Å; C125-R135 WeakPolarHBondContact CA-O 3.24Å; D126-R135 HydrophobicContact CB-CB 4.43Å; D126-R135 PolarHBondContact N-O 3.4Å; D126-R135 PolarHBondContact O-N 3.18Å; F133-R135 WeakPolarHBondContact CE2-O 3.24Å; R135-Y137 HydrophobicContact CB-CE2 4.23Å; R135-Y137 VanDerWaalsContact CD-OH 3.23Å; R135-Y137 WeakPolarHBondContact CD-OH 3.17Å; R135-Y137 HydrophobicContact CG-CE1 4.18Å; R135-Y137 HydrophobicContact CG-CE2 3.9Å; R135-Y137 VanDerWaalsContact NE-CE1 3.27Å; R135-Y137 PolarHBondContact NE-OH 2.86Å; R135-E152 IonicContact CZ-OE1 3.66Å; R135-E152 IonicContact NH1-OE1 3.27Å; R135-E152 PolarHBondContact NH1-OE1 2.85Å; R135-E152 IonicContact NH1-OE2 3.03Å; R135-E152 VanDerWaalsContact NH2-CD 3.28Å; R135-E152 VanDerWaalsContact NH2-CG 3.31Å; R135-E152 IonicContact NH2-OE1 3.39Å; R135-E152 PolarHBondContact NH2-OE1 2.88Å
136	G	96.4	Very high	94.5	Very high	4 Å²	4	59 Å²	59	4%	0.041	31%	0.306	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-122.2	150.4	176.2	0	0	0	0	0	111	G124 F133	G124-G136 CarbonylContact O-C 3.59Å; G124-G136 WeakPolarHBondContact O-CA 3.5Å; F133-G136 VanDerWaalsContact CZ-N 3.25Å
137	Y	96.3	Very high	94.7	Very high	33 Å²	33	58.2 Å²	58.2	13%	0.129	30%	0.301	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-131.2	140.3	-178	-54.3	-93.6	0	0	0	110.2	R30 M122 Y123 G124 D126 R135	R30-Y137 VanDerWaalsContact NH2-CE2 3.27Å; M122-Y137 HydrophobicContact CE-CD1 4.43Å; M122-Y137 HydrophobicContact CE-CG 4.41Å; Y123-Y137 WeakPolarHBondContact CA-O 3.36Å; Y123-Y137 VanDerWaalsContact CB-O 3.23Å; Y123-Y137 WeakPolarHBondContact CB-O 3.39Å; G124-Y137 PolarHBondContact N-O 2.97Å; G124-Y137 VanDerWaalsContact N-O 3.09Å; G124-Y137 PolarHBondContact O-N 3.35Å; D126-Y137 HydrophobicContact CB-CE2 4.47Å; D126-Y137 VanDerWaalsContact CG-CE2 3.46Å; D126-Y137 WeakPolarHBondContact OD1-CE2 3.36Å; D126-Y137 WeakPolarHBondContact OD2-CE2 3.32Å; D126-Y137 VanDerWaalsContact OD2-CZ 3.26Å; D126-Y137 PolarHBondContact OD2-OH 3.33Å; R135-Y137 HydrophobicContact CB-CE2 4.23Å; R135-Y137 VanDerWaalsContact CD-OH 3.23Å; R135-Y137 WeakPolarHBondContact CD-OH 3.17Å; R135-Y137 HydrophobicContact CG-CE1 4.18Å; R135-Y137 HydrophobicContact CG-CE2 3.9Å; R135-Y137 VanDerWaalsContact NE-CE1 3.27Å; R135-Y137 PolarHBondContact NE-OH 2.86Å
138	R	97.8	Very high	95	Very high	9 Å²	9	58.4 Å²	58.4	3%	0.034	30%	0.301	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-151.2	114.3	161.4	172.6	63.4	-173.5	-155.9	7	107.8	M122 D140 A149 L150 W157	M122-R138 CarbonylContact O-C 3.6Å; M122-R138 WeakPolarHBondContact O-CA 3.38Å; R138-D140 IonicContact CZ-OD1 3.01Å; R138-D140 VanDerWaalsContact CZ-OD1 3.23Å; R138-D140 IonicContact CZ-OD2 3.1Å; R138-D140 IonicContact NE-OD1 3.1Å; R138-D140 PolarHBondContact NE-OD1 3.35Å; R138-D140 IonicContact NE-OD2 2.98Å; R138-D140 IonicContact NH2-OD1 3.73Å; R138-D140 PolarHBondContact NH2-OD1 2.84Å; R138-D140 VanDerWaalsContact NH2-OD1 3.14Å; R138-D140 IonicContact NH2-OD2 2.77Å; R138-D140 PolarHBondContact NH2-OD2 2.8Å; R138-A149 WeakPolarHBondContact O-CA 3.17Å; R138-L150 HydrophobicContact CB-CB 3.86Å; R138-L150 HydrophobicContact CB-CD2 4.21Å; R138-L150 PolarHBondContact O-N 2.8Å; R138-W157 HydrophobicContact CG-CH2 4.11Å; R138-W157 HydrophobicContact CG-CZ3 4.08Å
139	Q	98.1	Very high	95.5	Very high	79 Å²	79	59.6 Å²	59.6	37%	0.369	31%	0.311	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-137	131.9	-177.8	-61.5	176.3	3.2	0	0	108.9	I121 M122 A149	I121-Q139 CarbonylContact C-O 3.55Å; I121-Q139 WeakPolarHBondContact CA-O 3.18Å; M122-Q139 HydrophobicContact CE-CB 4.38Å; M122-Q139 HydrophobicContact CE-CG 4.19Å; M122-Q139 PolarHBondContact N-O 2.81Å; M122-Q139 PolarHBondContact O-N 3.37Å; Q139-A149 HydrophobicContact CG-CB 3.97Å
140	D	98.4	Very high	96.1	Very high	18 Å²	18	55.7 Å²	55.7	10%	0.096	29%	0.285	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-121.6	136.6	179.9	-58.7	21.1	0	0	0	107.6	Q120 I121 R138 Y147 I148	Q120-D140 CarbonylContact O-C 3.55Å; Q120-D140 WeakPolarHBondContact O-CA 3.39Å; I121-D140 HydrophobicContact CG1-CB 4.32Å; R138-D140 IonicContact CZ-OD1 3.01Å; R138-D140 VanDerWaalsContact CZ-OD1 3.23Å; R138-D140 IonicContact CZ-OD2 3.1Å; R138-D140 IonicContact NE-OD1 3.1Å; R138-D140 PolarHBondContact NE-OD1 3.35Å; R138-D140 IonicContact NE-OD2 2.98Å; R138-D140 IonicContact NH2-OD1 3.73Å; R138-D140 PolarHBondContact NH2-OD1 2.84Å; R138-D140 VanDerWaalsContact NH2-OD1 3.14Å; R138-D140 IonicContact NH2-OD2 2.77Å; R138-D140 PolarHBondContact NH2-OD2 2.8Å; D140-Y147 WeakPolarHBondContact O-CA 3.37Å; D140-Y147 VanDerWaalsContact O-CB 3.31Å; D140-Y147 WeakPolarHBondContact O-CB 3.23Å; D140-Y147 PolarHBondContact O-N 2.82Å; D140-I148 HydrophobicContact CB-CG2 4.05Å; D140-I148 PolarHBondContact N-O 3.1Å; D140-I148 PolarHBondContact O-N 2.82Å; D140-I148 VanDerWaalsContact O-N 3.09Å
141	A	98.8	Very high	96.7	Very high	17 Å²	17	53.3 Å²	53.3	14%	0.14	27%	0.272	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-126.3	149.4	179.4	0	0	0	0	0	110.5	I119 Q120 K145	I119-A141 WeakPolarHBondContact CA-O 3.48Å; Q120-A141 HydrophobicContact CB-CB 4.28Å; Q120-A141 PolarHBondContact N-O 2.84Å; Q120-A141 PolarHBondContact O-N 3.31Å; A141-K145 CarbonylContact C-O 3.52Å; A141-K145 WeakPolarHBondContact CA-O 3.24Å; A141-K145 VanDerWaalsContact CB-O 3.24Å; A141-K145 WeakPolarHBondContact CB-O 3.36Å
142	Y	98.7	Very high	97.2	Very high	11 Å²	11	59.1 Å²	59.1	4%	0.043	30%	0.295	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-129.4	128	178.8	-173.8	-120.6	0	0	0	110.4	L102 L105 Y109 Q111 H117 T118 I119 G144 K145	L102-Y142 HydrophobicContact CD2-CE2 4.33Å; L105-Y142 HydrophobicContact CB-CD1 4.42Å; L105-Y142 HydrophobicContact CB-CD2 4.2Å; L105-Y142 HydrophobicContact CB-CE1 4.05Å; L105-Y142 HydrophobicContact CB-CE2 3.82Å; L105-Y142 HydrophobicContact CB-CG 4.48Å; L105-Y142 HydrophobicContact CD1-CD2 3.46Å; L105-Y142 VanDerWaalsContact CD1-CD2 3.46Å; L105-Y142 HydrophobicContact CD1-CE2 3.83Å; L105-Y142 HydrophobicContact CD1-CG 3.88Å; L105-Y142 HydrophobicContact CG-CD2 4.43Å; L105-Y142 HydrophobicContact CG-CE2 4.48Å; Y109-Y142 AromaticContact CD2-CD1 3.74Å; Y109-Y142 HydrophobicContact CD2-CD1 3.74Å; Y109-Y142 AromaticContact CD2-CE1 3.49Å; Y109-Y142 HydrophobicContact CD2-CE1 3.49Å; Y109-Y142 VanDerWaalsContact CD2-CE1 3.49Å; Y109-Y142 AromaticContact CE2-CD1 3.49Å; Y109-Y142 HydrophobicContact CE2-CD1 3.49Å; Y109-Y142 VanDerWaalsContact CE2-CD1 3.49Å; Y109-Y142 AromaticContact CE2-CE1 3.78Å; Y109-Y142 HydrophobicContact CE2-CE1 3.78Å; Y109-Y142 HydrophobicContact CE2-CG 4.49Å; Y109-Y142 HydrophobicContact CG-CE1 4.39Å; Q111-Y142 PolarHBondContact OE1-OH 3.02Å; H117-Y142 HydrophobicContact CB-CE2 3.85Å; H117-Y142 WeakPolarHBondContact CB-OH 3.34Å; H117-Y142 AromaticContact ND1-CZ 3.94Å; H117-Y142 PolarHBondContact ND1-OH 3.04Å; T118-Y142 CarbonylContact O-C 3.59Å; T118-Y142 WeakPolarHBondContact O-CA 3.49Å; T118-Y142 VanDerWaalsContact O-CD2 3.24Å; T118-Y142 WeakPolarHBondContact O-CD2 3.46Å; I119-Y142 HydrophobicContact CG1-CD2 3.87Å; I119-Y142 HydrophobicContact CG1-CE2 4.28Å; Y142-G144 PolarHBondContact O-N 3.02Å; Y142-K145 PolarHBondContact N-O 2.65Å; Y142-K145 PolarHBondContact O-N 2.97Å
143	D	98.2	Very high	97.5	Very high	63 Å²	63	54.7 Å²	54.7	34%	0.337	28%	0.284	S	S	.	.	T	Hydrogen-bonded Turn	trans	49.2	40.4	-175.7	-66	-20.1	0	0	0	113.2	Q111 H117 T118 K145	Q111-D143 PolarHBondContact NE2-OD2 3.41Å; H117-D143 WeakPolarHBondContact CA-OD1 2.87Å; H117-D143 IonicContact CE1-OD2 3.55Å; H117-D143 IonicContact CG-OD1 3.21Å; H117-D143 IonicContact CG-OD2 3.45Å; H117-D143 IonicContact ND1-OD1 2.77Å; H117-D143 IonicContact ND1-OD2 3.1Å; H117-D143 PolarHBondContact ND1-OD2 3.36Å; T118-D143 PolarHBondContact N-OD1 2.94Å; T118-D143 PolarHBondContact O-N 2.95Å; D143-K145 VanDerWaalsContact C-N 3.3Å; D143-K145 PolarHBondContact O-N 3.45Å
144	G	97.2	Very high	97.6	Very high	58 Å²	58	52 Å²	52	60%	0.598	27%	0.273	S	S	*	.	T	Hydrogen-bonded Turn	trans	77.3	7.5	178.2	0	0	0	0	0	115.3	Y142	Y142-G144 PolarHBondContact O-N 3.02Å
145	K	98.4	Very high	97.7	Very high	162 Å²	162	54.6 Å²	54.6	70%	0.704	28%	0.275	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-114.6	145.9	177	-62.1	179.7	-176.6	176.4	0	110.9	A141 Y142 D143 Y147	A141-K145 CarbonylContact C-O 3.52Å; A141-K145 WeakPolarHBondContact CA-O 3.24Å; A141-K145 VanDerWaalsContact CB-O 3.24Å; A141-K145 WeakPolarHBondContact CB-O 3.36Å; Y142-K145 PolarHBondContact N-O 2.65Å; Y142-K145 PolarHBondContact O-N 2.97Å; D143-K145 VanDerWaalsContact C-N 3.3Å; D143-K145 PolarHBondContact O-N 3.45Å; K145-Y147 PolarHBondContact O-N 3.14Å
146	D	98.6	Very high	97.8	Very high	129 Å²	129	52.1 Å²	52.1	69%	0.69	27%	0.271	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-53.7	134.1	173.8	-66.6	-29.3	0	0	0	110.6	A160	D146-A160 HydrophobicContact CB-CB 4.33Å; D146-A160 WeakPolarHBondContact O-CB 3.44Å
147	Y	98.7	Very high	97.9	Very high	11 Å²	11	52 Å²	52	4%	0.043	27%	0.27	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-113.9	-62.5	178.9	179.5	-106.8	0	0	0	110.5	L105 Y109 D140 K145 A160 A163 A164 T167	L105-Y147 HydrophobicContact CD2-CD2 4.3Å; L105-Y147 HydrophobicContact CD2-CE1 3.84Å; L105-Y147 HydrophobicContact CD2-CE2 3.54Å; L105-Y147 VanDerWaalsContact CD2-OH 3.29Å; L105-Y147 WeakPolarHBondContact CD2-OH 3.38Å; Y109-Y147 HydrophobicContact CE2-CD2 4.39Å; Y109-Y147 HydrophobicContact CE2-CE2 4.07Å; Y109-Y147 VanDerWaalsContact OH-CD2 3.29Å; Y109-Y147 WeakPolarHBondContact OH-CD2 3.41Å; Y109-Y147 WeakPolarHBondContact OH-CE2 3.46Å; D140-Y147 WeakPolarHBondContact O-CA 3.37Å; D140-Y147 VanDerWaalsContact O-CB 3.31Å; D140-Y147 WeakPolarHBondContact O-CB 3.23Å; D140-Y147 PolarHBondContact O-N 2.82Å; K145-Y147 PolarHBondContact O-N 3.14Å; Y147-A160 WeakPolarHBondContact O-CB 3.47Å; Y147-A160 PolarHBondContact O-N 3.35Å; Y147-A163 HydrophobicContact CE2-CB 4.39Å; Y147-A163 PolarHBondContact OH-O 3.01Å; Y147-A164 HydrophobicContact CD2-CB 3.81Å; Y147-A164 HydrophobicContact CE1-CB 4.37Å; Y147-A164 HydrophobicContact CE2-CB 3.66Å; Y147-A164 HydrophobicContact CG-CB 4.23Å; Y147-A164 WeakPolarHBondContact O-CB 3.06Å; Y147-T167 HydrophobicContact CE1-CG2 4.18Å; Y147-T167 WeakPolarHBondContact OH-CB 3.36Å; Y147-T167 PolarHBondContact OH-OG1 2.88Å
148	I	98.7	Very high	98	Very high	5 Å²	5	54.1 Å²	54.1	3%	0.026	29%	0.286	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-148.4	141	178.7	-162	173.8	0	0	0	111.2	D140 W157 T158 T167 K168 W171	D140-I148 HydrophobicContact CB-CG2 4.05Å; D140-I148 PolarHBondContact N-O 3.1Å; D140-I148 PolarHBondContact O-N 2.82Å; D140-I148 VanDerWaalsContact O-N 3.09Å; I148-W157 HydrophobicContact CD1-CB 4.18Å; I148-W157 HydrophobicContact CD1-CD2 4.46Å; I148-W157 HydrophobicContact CD1-CE3 4.27Å; I148-W157 HydrophobicContact CD1-CG 4.46Å; I148-W157 HydrophobicContact CG1-CB 4.3Å; I148-W157 HydrophobicContact CG1-CE3 4.12Å; I148-T158 CarbonylContact C-O 3.55Å; I148-T158 WeakPolarHBondContact CA-O 3.39Å; I148-T158 WeakPolarHBondContact CG1-O 3.47Å; I148-T167 HydrophobicContact CD1-CG2 4.06Å; I148-K168 HydrophobicContact CD1-CB 3.92Å; I148-W171 HydrophobicContact CD1-CE3 4.11Å; I148-W171 HydrophobicContact CD1-CZ3 4.34Å; I148-W171 HydrophobicContact CG2-CH2 4.12Å; I148-W171 HydrophobicContact CG2-CZ3 3.85Å
149	A	98.7	Very high	98.1	Very high	27 Å²	27	54.4 Å²	54.4	22%	0.223	29%	0.29	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-132	139.3	-179.9	0	0	0	0	0	111.6	R138 Q139 W157 T158	R138-A149 WeakPolarHBondContact O-CA 3.17Å; Q139-A149 HydrophobicContact CG-CB 3.97Å; A149-W157 CarbonylContact O-C 3.52Å; A149-W157 WeakPolarHBondContact O-CA 3.33Å; A149-T158 PolarHBondContact N-O 3.37Å; A149-T158 PolarHBondContact O-N 2.56Å
150	L	98.6	Very high	98.1	Very high	11 Å²	11	53.6 Å²	53.6	6%	0.058	30%	0.297	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-74.3	128	167.4	-174.9	65.4	0	0	0	108.2	R138 L154 W157 A177 R180 L184	R138-L150 HydrophobicContact CB-CB 3.86Å; R138-L150 HydrophobicContact CB-CD2 4.21Å; R138-L150 PolarHBondContact O-N 2.8Å; L150-L154 HydrophobicContact CD2-CB 4.45Å; L150-L154 HydrophobicContact CD2-CD2 3.77Å; L150-L154 HydrophobicContact CG-CD2 4.29Å; L150-W157 HydrophobicContact CB-CE3 3.95Å; L150-W157 HydrophobicContact CB-CH2 4.01Å; L150-W157 HydrophobicContact CB-CZ3 3.58Å; L150-W157 HydrophobicContact CD1-CD2 4.09Å; L150-W157 HydrophobicContact CD1-CE3 4.24Å; L150-W157 HydrophobicContact CD1-CH2 3.99Å; L150-W157 HydrophobicContact CD1-CZ2 3.84Å; L150-W157 HydrophobicContact CD1-CZ3 4.18Å; L150-W157 HydrophobicContact CG-CH2 4.46Å; L150-W157 HydrophobicContact CG-CZ3 4.44Å; L150-A177 HydrophobicContact CD1-CB 4Å; L150-R180 HydrophobicContact CD2-CB 4.09Å; L150-L184 HydrophobicContact CD2-CD1 3.88Å
151	N	98.3	Very high	98.1	Very high	45 Å²	45	55.5 Å²	55.5	24%	0.241	31%	0.307	C	S	.	.			trans	-72	163.4	179.5	-67.8	-27.8	0	0	0	111.3	D153 L154 S156 T158	N151-D153 PolarHBondContact O-N 3.4Å; N151-D153 VanDerWaalsContact O-N 3.1Å; N151-L154 PolarHBondContact O-N 3.14Å; N151-S156 WeakPolarHBondContact CB-O 3.29Å; N151-S156 WeakPolarHBondContact CB-OG 3.31Å; N151-S156 PolarHBondContact N-O 3.1Å; N151-S156 PolarHBondContact ND2-OG 3.27Å; N151-T158 PolarHBondContact ND2-OG1 2.75Å; N151-T158 WeakPolarHBondContact OD1-CB 3.43Å; N151-T158 PolarHBondContact OD1-OG1 3.25Å
152	E	96.4	Very high	98	Very high	137 Å²	137	61.8 Å²	61.8	64%	0.64	34%	0.335	S	S	*	.	T	Hydrogen-bonded Turn	trans	-59.1	-23.5	-179.6	-64	-177.6	-171.9	0	0	113.4	R135 L154	R135-E152 IonicContact CZ-OE1 3.66Å; R135-E152 IonicContact NH1-OE1 3.27Å; R135-E152 PolarHBondContact NH1-OE1 2.85Å; R135-E152 IonicContact NH1-OE2 3.03Å; R135-E152 VanDerWaalsContact NH2-CD 3.28Å; R135-E152 VanDerWaalsContact NH2-CG 3.31Å; R135-E152 IonicContact NH2-OE1 3.39Å; R135-E152 PolarHBondContact NH2-OE1 2.88Å; E152-L154 PolarHBondContact O-N 3.28Å
153	D	96.4	Very high	98	Very high	76 Å²	76	61.8 Å²	61.8	41%	0.406	34%	0.338	S	S	.	.	T	Hydrogen-bonded Turn	trans	-70.4	-9.4	174.6	69.5	6.8	0	0	0	114	N151 R155 S156	N151-D153 PolarHBondContact O-N 3.4Å; N151-D153 VanDerWaalsContact O-N 3.1Å; D153-R155 WeakPolarHBondContact O-CG 3.25Å; D153-R155 PolarHBondContact O-N 2.96Å; D153-R155 VanDerWaalsContact O-N 3.13Å; D153-R155 PolarHBondContact OD1-N 3.03Å; D153-S156 VanDerWaalsContact CG-OG 3.26Å; D153-S156 PolarHBondContact OD1-N 2.86Å; D153-S156 PolarHBondContact OD1-OG 2.89Å; D153-S156 WeakPolarHBondContact OD2-CB 3.5Å; D153-S156 PolarHBondContact OD2-OG 2.83Å
154	L	97.4	Very high	98	Very high	5 Å²	5	58.8 Å²	58.8	3%	0.026	32%	0.322	C	S	.	.	S	Bend	trans	54.1	23.5	-175.2	-51.8	178.7	0	0	0	114.4	F133 L150 N151 E152 R181 L184 E185	F133-L154 HydrophobicContact CE1-CD1 3.96Å; F133-L154 HydrophobicContact CZ-CD1 3.69Å; L150-L154 HydrophobicContact CD2-CB 4.45Å; L150-L154 HydrophobicContact CD2-CD2 3.77Å; L150-L154 HydrophobicContact CG-CD2 4.29Å; N151-L154 PolarHBondContact O-N 3.14Å; E152-L154 PolarHBondContact O-N 3.28Å; L154-R181 HydrophobicContact CB-CB 4.16Å; L154-R181 HydrophobicContact CB-CG 3.92Å; L154-R181 HydrophobicContact CD1-CG 4.13Å; L154-L184 HydrophobicContact CD2-CD1 4.02Å; L154-E185 HydrophobicContact CD1-CG 4.07Å
155	R	96.8	Very high	98.1	Very high	158 Å²	158	58.7 Å²	58.7	60%	0.596	31%	0.306	S	S	*	.	S	Bend	trans	-128.7	-31.1	-174.1	-71.6	169.6	-175.4	-98.4	7.8	112.4	D153 A177	D153-R155 WeakPolarHBondContact O-CG 3.25Å; D153-R155 PolarHBondContact O-N 2.96Å; D153-R155 VanDerWaalsContact O-N 3.13Å; D153-R155 PolarHBondContact OD1-N 3.03Å; R155-A177 WeakPolarHBondContact O-CB 3.42Å
156	S	97.3	Very high	98.1	Very high	36 Å²	36	54 Å²	54	25%	0.252	29%	0.287	S	S	.	.			trans	-117.5	159.5	-176.1	66	0	0	0	0	112.3	N151 D153	N151-S156 WeakPolarHBondContact CB-O 3.29Å; N151-S156 WeakPolarHBondContact CB-OG 3.31Å; N151-S156 PolarHBondContact N-O 3.1Å; N151-S156 PolarHBondContact ND2-OG 3.27Å; D153-S156 VanDerWaalsContact CG-OG 3.26Å; D153-S156 PolarHBondContact OD1-N 2.86Å; D153-S156 PolarHBondContact OD1-OG 2.89Å; D153-S156 WeakPolarHBondContact OD2-CB 3.5Å; D153-S156 PolarHBondContact OD2-OG 2.83Å
157	W	98.6	Very high	98	Very high	3 Å²	3	48.7 Å²	48.7	1%	0.011	26%	0.26	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-118.1	140.7	-178.3	-60.6	91.7	0	0	0	111.4	R138 I148 A149 L150 K168 W171 A176 A177 R180	R138-W157 HydrophobicContact CG-CH2 4.11Å; R138-W157 HydrophobicContact CG-CZ3 4.08Å; I148-W157 HydrophobicContact CD1-CB 4.18Å; I148-W157 HydrophobicContact CD1-CD2 4.46Å; I148-W157 HydrophobicContact CD1-CE3 4.27Å; I148-W157 HydrophobicContact CD1-CG 4.46Å; I148-W157 HydrophobicContact CG1-CB 4.3Å; I148-W157 HydrophobicContact CG1-CE3 4.12Å; A149-W157 CarbonylContact O-C 3.52Å; A149-W157 WeakPolarHBondContact O-CA 3.33Å; L150-W157 HydrophobicContact CB-CE3 3.95Å; L150-W157 HydrophobicContact CB-CH2 4.01Å; L150-W157 HydrophobicContact CB-CZ3 3.58Å; L150-W157 HydrophobicContact CD1-CD2 4.09Å; L150-W157 HydrophobicContact CD1-CE3 4.24Å; L150-W157 HydrophobicContact CD1-CH2 3.99Å; L150-W157 HydrophobicContact CD1-CZ2 3.84Å; L150-W157 HydrophobicContact CD1-CZ3 4.18Å; L150-W157 HydrophobicContact CG-CH2 4.46Å; L150-W157 HydrophobicContact CG-CZ3 4.44Å; W157-K168 HydrophobicContact CB-CD 4.28Å; W157-K168 HydrophobicContact CB-CG 4.14Å; W157-K168 VanDerWaalsContact O-CE 3.24Å; W157-K168 WeakPolarHBondContact O-CE 3.19Å; W157-K168 PolarHBondContact O-NZ 3.08Å; W157-W171 AromaticContact CD2-CE3 3.86Å; W157-W171 HydrophobicContact CD2-CE3 3.86Å; W157-W171 HydrophobicContact CD2-CZ3 4.35Å; W157-W171 AromaticContact CE2-CE3 3.7Å; W157-W171 AromaticContact CE3-CE3 3.79Å; W157-W171 HydrophobicContact CE3-CE3 3.79Å; W157-W171 AromaticContact CE3-CZ3 3.8Å; W157-W171 HydrophobicContact CE3-CZ3 3.8Å; W157-W171 AromaticContact CH2-CE3 3.46Å; W157-W171 HydrophobicContact CH2-CE3 3.46Å; W157-W171 VanDerWaalsContact CH2-CE3 3.46Å; W157-W171 HydrophobicContact CH2-CH2 4.47Å; W157-W171 AromaticContact CH2-CZ3 3.36Å; W157-W171 HydrophobicContact CH2-CZ3 3.36Å; W157-W171 HydrophobicContact CZ2-CD2 4.48Å; W157-W171 AromaticContact CZ2-CE3 3.51Å; W157-W171 HydrophobicContact CZ2-CE3 3.51Å; W157-W171 AromaticContact CZ2-CZ3 3.94Å; W157-W171 HydrophobicContact CZ2-CZ3 3.94Å; W157-W171 AromaticContact CZ3-CE3 3.62Å; W157-W171 HydrophobicContact CZ3-CE3 3.62Å; W157-W171 HydrophobicContact CZ3-CH2 4.49Å; W157-W171 AromaticContact CZ3-CZ3 3.29Å; W157-W171 HydrophobicContact CZ3-CZ3 3.29Å; W157-A176 HydrophobicContact CZ2-CB 4.44Å; W157-A177 HydrophobicContact CZ2-CB 4.33Å; W157-R180 HydrophobicContact CH2-CG 4.29Å; W157-R180 HydrophobicContact CZ2-CG 4.49Å
158	T	98.6	Very high	98	Very high	76 Å²	76	50.3 Å²	50.3	47%	0.466	27%	0.267	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-103.6	123.5	167.5	-65.7	0	0	0	0	109	I148 A149 N151	I148-T158 CarbonylContact C-O 3.55Å; I148-T158 WeakPolarHBondContact CA-O 3.39Å; I148-T158 WeakPolarHBondContact CG1-O 3.47Å; A149-T158 PolarHBondContact N-O 3.37Å; A149-T158 PolarHBondContact O-N 2.56Å; N151-T158 PolarHBondContact ND2-OG1 2.75Å; N151-T158 WeakPolarHBondContact OD1-CB 3.43Å; N151-T158 PolarHBondContact OD1-OG1 3.25Å
159	A	98.6	Very high	98	Very high	16 Å²	16	57.5 Å²	57.5	13%	0.132	29%	0.294	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-106	132.6	178.3	0	0	0	0	0	109.2	A164 Q165 K168	A159-A164 HydrophobicContact CB-CB 3.67Å; A159-Q165 HydrophobicContact CB-CG 4.24Å; A159-K168 HydrophobicContact CB-CB 4.29Å; A159-K168 HydrophobicContact CB-CD 4.22Å
160	A	98.4	Very high	98	Very high	61 Å²	61	61.7 Å²	61.7	50%	0.504	31%	0.307	S	S	.	.	S	Bend	trans	-75.3	-32.2	-174	0	0	0	0	0	113.3	D146 Y147	D146-A160 HydrophobicContact CB-CB 4.33Å; D146-A160 WeakPolarHBondContact O-CB 3.44Å; Y147-A160 WeakPolarHBondContact O-CB 3.47Å; Y147-A160 PolarHBondContact O-N 3.35Å
161	D	98	Very high	98	Very high	58 Å²	58	64 Å²	64	31%	0.31	32%	0.315	S	S	.	.	S	Bend	trans	-148.1	-175.7	-177.8	68.7	26.2	0	0	0	113.2	Y109 A163 A164 Q165	Y109-D161 VanDerWaalsContact CE1-OD2 3.23Å; Y109-D161 WeakPolarHBondContact CE1-OD2 3.24Å; Y109-D161 VanDerWaalsContact OH-CG 3.24Å; Y109-D161 PolarHBondContact OH-OD1 2.83Å; Y109-D161 PolarHBondContact OH-OD2 3.29Å; D161-A163 VanDerWaalsContact C-N 3.32Å; D161-A163 PolarHBondContact O-N 2.72Å; D161-A163 WeakPolarHBondContact OD1-CA 3.34Å; D161-A163 WeakPolarHBondContact OD1-CB 3.37Å; D161-A163 PolarHBondContact OD1-N 2.92Å; D161-A164 PolarHBondContact O-N 2.87Å; D161-A164 PolarHBondContact OD1-N 3.23Å; D161-Q165 WeakPolarHBondContact O-CG 3.45Å; D161-Q165 PolarHBondContact O-N 3.09Å
162	M	97.9	Very high	97.9	Very high	149 Å²	149	65.9 Å²	65.9	73%	0.734	32%	0.323	S	S	*	.	H	α-helix	trans	-65.1	-29.8	-178.5	-68.7	-58.6	-63.6	0	0	114.1
163	A	97.9	Very high	98	Very high	11 Å²	11	63.2 Å²	63.2	9%	0.091	32%	0.324	C	S	.	.	H	α-helix	trans	-72.3	-44	175.4	0	0	0	0	0	110	Y108 Y109 Y147 D161 Q165 I166	Y108-A163 HydrophobicContact CD2-CB 4.46Å; Y109-A163 HydrophobicContact CD1-CB 4.19Å; Y109-A163 HydrophobicContact CD2-CB 4.43Å; Y109-A163 HydrophobicContact CE1-CB 3.62Å; Y109-A163 HydrophobicContact CE2-CB 3.87Å; Y109-A163 VanDerWaalsContact CZ-CB 3.44Å; Y147-A163 HydrophobicContact CE2-CB 4.39Å; Y147-A163 PolarHBondContact OH-O 3.01Å; D161-A163 VanDerWaalsContact C-N 3.32Å; D161-A163 PolarHBondContact O-N 2.72Å; D161-A163 WeakPolarHBondContact OD1-CA 3.34Å; D161-A163 WeakPolarHBondContact OD1-CB 3.37Å; D161-A163 PolarHBondContact OD1-N 2.92Å; A163-Q165 PolarHBondContact O-N 2.98Å; A163-I166 VanDerWaalsContact O-CB 3.25Å; A163-I166 WeakPolarHBondContact O-CB 3.33Å; A163-I166 PolarHBondContact O-N 3.17Å
164	A	98.4	Very high	98.1	Very high	0 Å²	0	64.1 Å²	64.1	0%	0	33%	0.332	C	S	.	.	H	α-helix	trans	-60.1	-31.6	174.3	0	0	0	0	0	113.2	Y147 A159 D161 I166 T167 K168	Y147-A164 HydrophobicContact CD2-CB 3.81Å; Y147-A164 HydrophobicContact CE1-CB 4.37Å; Y147-A164 HydrophobicContact CE2-CB 3.66Å; Y147-A164 HydrophobicContact CG-CB 4.23Å; Y147-A164 WeakPolarHBondContact O-CB 3.06Å; A159-A164 HydrophobicContact CB-CB 3.67Å; D161-A164 PolarHBondContact O-N 2.87Å; D161-A164 PolarHBondContact OD1-N 3.23Å; A164-I166 PolarHBondContact O-N 2.9Å; A164-T167 PolarHBondContact O-N 2.79Å; A164-T167 VanDerWaalsContact O-N 3.14Å; A164-K168 PolarHBondContact O-N 2.84Å
165	Q	98.6	Very high	98	Very high	57 Å²	57	70.5 Å²	70.5	27%	0.266	36%	0.361	S	S	.	.	H	α-helix	trans	-59.8	-30.8	172.7	-68.3	-68.6	-17.9	0	0	112.6	A159 D161 A163 R169	A159-Q165 HydrophobicContact CB-CG 4.24Å; D161-Q165 WeakPolarHBondContact O-CG 3.45Å; D161-Q165 PolarHBondContact O-N 3.09Å; A163-Q165 PolarHBondContact O-N 2.98Å; Q165-R169 WeakPolarHBondContact O-CG 3.44Å; Q165-R169 PolarHBondContact O-N 3.19Å; Q165-R169 VanDerWaalsContact O-N 3.1Å
166	I	98.3	Very high	98	Very high	62 Å²	62	63.6 Å²	63.6	32%	0.318	34%	0.338	S	S	.	.	H	α-helix	trans	-66.5	-46.8	175.5	-55.1	171.7	0	0	0	109.7	Y108 A163 A164 R169 K170	Y108-I166 HydrophobicContact CD1-CD1 4.23Å; Y108-I166 HydrophobicContact CD2-CD1 4.46Å; Y108-I166 HydrophobicContact CE1-CD1 4.39Å; Y108-I166 HydrophobicContact CE1-CG2 4.15Å; Y108-I166 HydrophobicContact CE2-CB 4.11Å; Y108-I166 HydrophobicContact CE2-CG2 4.06Å; Y108-I166 HydrophobicContact CG-CD1 4.27Å; A163-I166 VanDerWaalsContact O-CB 3.25Å; A163-I166 WeakPolarHBondContact O-CB 3.33Å; A163-I166 PolarHBondContact O-N 3.17Å; A164-I166 PolarHBondContact O-N 2.9Å; I166-R169 PolarHBondContact O-N 2.88Å; I166-K170 WeakPolarHBondContact O-CG 3.22Å; I166-K170 PolarHBondContact O-N 2.98Å
167	T	98.2	Very high	98	Very high	18 Å²	18	62.2 Å²	62.2	11%	0.11	33%	0.329	C	S	.	.	H	α-helix	trans	-62.2	-44.9	175.2	-68.5	0	0	0	0	111.4	Y147 I148 A164 R169 K170 W171	Y147-T167 HydrophobicContact CE1-CG2 4.18Å; Y147-T167 WeakPolarHBondContact OH-CB 3.36Å; Y147-T167 PolarHBondContact OH-OG1 2.88Å; I148-T167 HydrophobicContact CD1-CG2 4.06Å; A164-T167 PolarHBondContact O-N 2.79Å; A164-T167 VanDerWaalsContact O-N 3.14Å; T167-R169 PolarHBondContact O-N 2.86Å; T167-K170 WeakPolarHBondContact O-CB 3.31Å; T167-K170 PolarHBondContact O-N 3.2Å; T167-K170 VanDerWaalsContact O-N 3.13Å; T167-W171 HydrophobicContact CG2-CD2 3.85Å; T167-W171 HydrophobicContact CG2-CE3 4.34Å; T167-W171 HydrophobicContact CG2-CG 4.16Å; T167-W171 HydrophobicContact CG2-CZ2 4.03Å; T167-W171 WeakPolarHBondContact O-CB 3.31Å; T167-W171 PolarHBondContact O-N 3.47Å
168	K	98.6	Very high	97.9	Very high	46 Å²	46	66.5 Å²	66.5	20%	0.2	35%	0.349	C	S	.	.	H	α-helix	trans	-52.3	-52.4	177.1	175.4	170.9	175.4	171.6	0	111.8	I148 W157 A159 A164 K170 W171 E172	I148-K168 HydrophobicContact CD1-CB 3.92Å; W157-K168 HydrophobicContact CB-CD 4.28Å; W157-K168 HydrophobicContact CB-CG 4.14Å; W157-K168 VanDerWaalsContact O-CE 3.24Å; W157-K168 WeakPolarHBondContact O-CE 3.19Å; W157-K168 PolarHBondContact O-NZ 3.08Å; A159-K168 HydrophobicContact CB-CB 4.29Å; A159-K168 HydrophobicContact CB-CD 4.22Å; A164-K168 PolarHBondContact O-N 2.84Å; K168-K170 VanDerWaalsContact C-N 3.33Å; K168-K170 PolarHBondContact O-N 3.08Å; K168-W171 PolarHBondContact O-N 2.84Å; K168-E172 WeakPolarHBondContact CE-OE1 3.49Å; K168-E172 HydrophobicContact CG-CG 4.37Å; K168-E172 IonicContact NZ-OE1 2.66Å; K168-E172 WeakPolarHBondContact O-CB 3.35Å; K168-E172 WeakPolarHBondContact O-CG 3.5Å; K168-E172 PolarHBondContact O-N 3.21Å
169	R	98.5	Very high	97.6	Very high	155 Å²	155	69.7 Å²	69.7	59%	0.585	36%	0.358	S	S	*	.	H	α-helix	trans	-59.5	-41.6	178.6	-68.9	171.6	-167.1	153.5	4.2	112.5	Q165 I166 T167 A173	Q165-R169 WeakPolarHBondContact O-CG 3.44Å; Q165-R169 PolarHBondContact O-N 3.19Å; Q165-R169 VanDerWaalsContact O-N 3.1Å; I166-R169 PolarHBondContact O-N 2.88Å; T167-R169 PolarHBondContact O-N 2.86Å; R169-A173 WeakPolarHBondContact O-CB 3.32Å; R169-A173 PolarHBondContact O-N 2.62Å
170	K	97.9	Very high	97.5	Very high	116 Å²	116	72.4 Å²	72.4	50%	0.504	37%	0.365	S	S	.	.	H	α-helix	trans	-63	-43.8	177.1	-73.6	179.5	174.5	-176.1	0	111.6	Y108 I166 T167 K168 V174	Y108-K170 PolarHBondContact OH-NZ 3.47Å; I166-K170 WeakPolarHBondContact O-CG 3.22Å; I166-K170 PolarHBondContact O-N 2.98Å; T167-K170 WeakPolarHBondContact O-CB 3.31Å; T167-K170 PolarHBondContact O-N 3.2Å; T167-K170 VanDerWaalsContact O-N 3.13Å; K168-K170 VanDerWaalsContact C-N 3.33Å; K168-K170 PolarHBondContact O-N 3.08Å; K170-V174 WeakPolarHBondContact O-CG2 3.37Å; K170-V174 PolarHBondContact O-N 2.84Å
171	W	97.9	Very high	97.4	Very high	60 Å²	60	71.9 Å²	71.9	23%	0.227	35%	0.35	C	S	.	.	H	α-helix	trans	-71	-37.2	-179.4	-77.8	11.6	0	0	0	112.7	I148 W157 T167 K168 V174 H175 A176	I148-W171 HydrophobicContact CD1-CE3 4.11Å; I148-W171 HydrophobicContact CD1-CZ3 4.34Å; I148-W171 HydrophobicContact CG2-CH2 4.12Å; I148-W171 HydrophobicContact CG2-CZ3 3.85Å; W157-W171 AromaticContact CD2-CE3 3.86Å; W157-W171 HydrophobicContact CD2-CE3 3.86Å; W157-W171 HydrophobicContact CD2-CZ3 4.35Å; W157-W171 AromaticContact CE2-CE3 3.7Å; W157-W171 AromaticContact CE3-CE3 3.79Å; W157-W171 HydrophobicContact CE3-CE3 3.79Å; W157-W171 AromaticContact CE3-CZ3 3.8Å; W157-W171 HydrophobicContact CE3-CZ3 3.8Å; W157-W171 AromaticContact CH2-CE3 3.46Å; W157-W171 HydrophobicContact CH2-CE3 3.46Å; W157-W171 VanDerWaalsContact CH2-CE3 3.46Å; W157-W171 HydrophobicContact CH2-CH2 4.47Å; W157-W171 AromaticContact CH2-CZ3 3.36Å; W157-W171 HydrophobicContact CH2-CZ3 3.36Å; W157-W171 HydrophobicContact CZ2-CD2 4.48Å; W157-W171 AromaticContact CZ2-CE3 3.51Å; W157-W171 HydrophobicContact CZ2-CE3 3.51Å; W157-W171 AromaticContact CZ2-CZ3 3.94Å; W157-W171 HydrophobicContact CZ2-CZ3 3.94Å; W157-W171 AromaticContact CZ3-CE3 3.62Å; W157-W171 HydrophobicContact CZ3-CE3 3.62Å; W157-W171 HydrophobicContact CZ3-CH2 4.49Å; W157-W171 AromaticContact CZ3-CZ3 3.29Å; W157-W171 HydrophobicContact CZ3-CZ3 3.29Å; T167-W171 HydrophobicContact CG2-CD2 3.85Å; T167-W171 HydrophobicContact CG2-CE3 4.34Å; T167-W171 HydrophobicContact CG2-CG 4.16Å; T167-W171 HydrophobicContact CG2-CZ2 4.03Å; T167-W171 WeakPolarHBondContact O-CB 3.31Å; T167-W171 PolarHBondContact O-N 3.47Å; K168-W171 PolarHBondContact O-N 2.84Å; W171-V174 PolarHBondContact O-N 2.83Å; W171-H175 PolarHBondContact O-N 3.13Å; W171-H175 VanDerWaalsContact O-N 3.13Å; W171-A176 HydrophobicContact CB-CB 3.85Å; W171-A176 HydrophobicContact CD2-CB 4.47Å; W171-A176 HydrophobicContact CG-CB 4.04Å; W171-A176 WeakPolarHBondContact O-CB 3.17Å; W171-A176 PolarHBondContact O-N 3.04Å
172	E	98.2	Very high	97.4	Very high	84 Å²	84	73.4 Å²	73.4	39%	0.393	36%	0.361	S	S	.	.	H	α-helix	trans	-64.8	-42.4	173.5	-73.7	173.2	162.9	0	0	111.6	K168 V174 H175	K168-E172 WeakPolarHBondContact CE-OE1 3.49Å; K168-E172 HydrophobicContact CG-CG 4.37Å; K168-E172 IonicContact NZ-OE1 2.66Å; K168-E172 WeakPolarHBondContact O-CB 3.35Å; K168-E172 WeakPolarHBondContact O-CG 3.5Å; K168-E172 PolarHBondContact O-N 3.21Å; E172-V174 PolarHBondContact O-N 2.62Å; E172-H175 PolarHBondContact O-N 3.4Å; E172-H175 VanDerWaalsContact O-N 3.08Å
173	A	97.9	Very high	97.2	Very high	80 Å²	80	68.2 Å²	68.2	66%	0.661	33%	0.334	S	S	*	.	H	α-helix	trans	-62.2	-24.9	178.9	0	0	0	0	0	113.9	R169	R169-A173 WeakPolarHBondContact O-CB 3.32Å; R169-A173 PolarHBondContact O-N 2.62Å
174	V	97.4	Very high	97.2	Very high	95 Å²	95	67.9 Å²	67.9	58%	0.576	33%	0.33	S	S	*	.	T	Hydrogen-bonded Turn	trans	-108.5	11.1	177.2	-55.5	0	0	0	0	112.9	K170 W171 E172 A176	K170-V174 WeakPolarHBondContact O-CG2 3.37Å; K170-V174 PolarHBondContact O-N 2.84Å; W171-V174 PolarHBondContact O-N 2.83Å; E172-V174 PolarHBondContact O-N 2.62Å; V174-A176 HydrophobicContact CG2-CB 4.17Å; V174-A176 PolarHBondContact O-N 3.19Å
175	H	96.4	Very high	97	Very high	140 Å²	140	71.6 Å²	71.6	65%	0.648	35%	0.348	S	S	*	.	T	Hydrogen-bonded Turn	trans	51.5	39.9	-179	-54.3	-64.5	0	0	0	113.9	W171 E172 A177 E178	W171-H175 PolarHBondContact O-N 3.13Å; W171-H175 VanDerWaalsContact O-N 3.13Å; E172-H175 PolarHBondContact O-N 3.4Å; E172-H175 VanDerWaalsContact O-N 3.08Å; H175-A177 PolarHBondContact O-N 2.91Å; H175-A177 VanDerWaalsContact O-N 3.1Å; H175-E178 PolarHBondContact O-N 3.28Å
176	A	96.6	Very high	96.8	Very high	12 Å²	12	70 Å²	70	10%	0.099	35%	0.347	C	S	.	.	H	α-helix	trans	-58.5	-28.4	-176	0	0	0	0	0	113.4	W157 W171 V174 E178 Q179 R180	W157-A176 HydrophobicContact CZ2-CB 4.44Å; W171-A176 HydrophobicContact CB-CB 3.85Å; W171-A176 HydrophobicContact CD2-CB 4.47Å; W171-A176 HydrophobicContact CG-CB 4.04Å; W171-A176 WeakPolarHBondContact O-CB 3.17Å; W171-A176 PolarHBondContact O-N 3.04Å; V174-A176 HydrophobicContact CG2-CB 4.17Å; V174-A176 PolarHBondContact O-N 3.19Å; A176-E178 VanDerWaalsContact C-N 3.29Å; A176-E178 PolarHBondContact O-N 3.39Å; A176-Q179 PolarHBondContact O-N 3.36Å; A176-R180 WeakPolarHBondContact O-CG 3.42Å; A176-R180 PolarHBondContact O-N 3.36Å
177	A	97.5	Very high	96.6	Very high	8 Å²	8	75.1 Å²	75.1	7%	0.066	36%	0.362	C	S	.	.	H	α-helix	trans	-59.5	-39.2	176	0	0	0	0	0	112	L150 R155 W157 H175 Q179 R180 R181	L150-A177 HydrophobicContact CD1-CB 4Å; R155-A177 WeakPolarHBondContact O-CB 3.42Å; W157-A177 HydrophobicContact CZ2-CB 4.33Å; H175-A177 PolarHBondContact O-N 2.91Å; H175-A177 VanDerWaalsContact O-N 3.1Å; A177-Q179 PolarHBondContact O-N 2.88Å; A177-R180 PolarHBondContact O-N 2.87Å; A177-R181 WeakPolarHBondContact O-CB 3.34Å; A177-R181 PolarHBondContact O-N 2.81Å
178	E	95.9	Very high	96.4	Very high	92 Å²	92	74.2 Å²	74.2	43%	0.43	36%	0.357	S	S	.	.	H	α-helix	trans	-66.7	-41.4	-178.1	-172.8	62.7	-172.3	0	0	111.5	H175 A176 R180 R181 V182	H175-E178 PolarHBondContact O-N 3.28Å; A176-E178 VanDerWaalsContact C-N 3.29Å; A176-E178 PolarHBondContact O-N 3.39Å; E178-R180 VanDerWaalsContact C-N 3.3Å; E178-R180 PolarHBondContact O-N 3Å; E178-R181 PolarHBondContact O-N 2.9Å; E178-V182 WeakPolarHBondContact O-CG2 3.39Å; E178-V182 PolarHBondContact O-N 2.88Å
179	Q	93.4	Very high	96.1	Very high	143 Å²	143	72.2 Å²	72.2	67%	0.668	35%	0.348	S	S	*	.	H	α-helix	trans	-61.9	-39.1	174.6	-65.6	-177.7	-13.7	0	0	112	A176 A177 Y183	A176-Q179 PolarHBondContact O-N 3.36Å; A177-Q179 PolarHBondContact O-N 2.88Å; Q179-Y183 PolarHBondContact O-N 2.91Å
180	R	95.9	Very high	95.7	Very high	73 Å²	73	69.3 Å²	69.3	28%	0.275	34%	0.344	S	S	.	.	H	α-helix	trans	-67.6	-43.7	176	-66.5	-62.5	175	-162.5	-4.3	111.2	L150 W157 A176 A177 E178 V182 Y183 L184	L150-R180 HydrophobicContact CD2-CB 4.09Å; W157-R180 HydrophobicContact CH2-CG 4.29Å; W157-R180 HydrophobicContact CZ2-CG 4.49Å; A176-R180 WeakPolarHBondContact O-CG 3.42Å; A176-R180 PolarHBondContact O-N 3.36Å; A177-R180 PolarHBondContact O-N 2.87Å; E178-R180 VanDerWaalsContact C-N 3.3Å; E178-R180 PolarHBondContact O-N 3Å; R180-V182 PolarHBondContact O-N 2.85Å; R180-Y183 PolarHBondContact O-N 3.35Å; R180-L184 WeakPolarHBondContact O-CB 3.47Å; R180-L184 VanDerWaalsContact O-CG 3.23Å; R180-L184 WeakPolarHBondContact O-CG 3.36Å; R180-L184 PolarHBondContact O-N 3.08Å
181	R	96.8	Very high	95.3	Very high	51 Å²	51	64.5 Å²	64.5	19%	0.192	33%	0.328	C	S	.	.	H	α-helix	trans	-58.5	-47.4	177.1	-173.8	173.4	178.7	-131.1	-15.9	112.3	L154 A177 E178 Y183 L184 E185	L154-R181 HydrophobicContact CB-CB 4.16Å; L154-R181 HydrophobicContact CB-CG 3.92Å; L154-R181 HydrophobicContact CD1-CG 4.13Å; A177-R181 WeakPolarHBondContact O-CB 3.34Å; A177-R181 PolarHBondContact O-N 2.81Å; E178-R181 PolarHBondContact O-N 2.9Å; R181-Y183 VanDerWaalsContact C-N 3.27Å; R181-Y183 PolarHBondContact O-N 3.13Å; R181-L184 PolarHBondContact O-N 3.2Å; R181-L184 VanDerWaalsContact O-N 3.15Å; R181-E185 HydrophobicContact CG-CG 4.13Å; R181-E185 IonicContact CZ-OE1 3.5Å; R181-E185 IonicContact CZ-OE2 3.37Å; R181-E185 IonicContact NE-OE1 2.73Å; R181-E185 PolarHBondContact NE-OE1 3.5Å; R181-E185 IonicContact NE-OE2 3.7Å; R181-E185 PolarHBondContact NE-OE2 3.09Å; R181-E185 IonicContact NH2-OE1 3.39Å; R181-E185 PolarHBondContact NH2-OE1 2.81Å; R181-E185 VanDerWaalsContact NH2-OE1 3.1Å; R181-E185 IonicContact NH2-OE2 2.75Å; R181-E185 PolarHBondContact NH2-OE2 3.39Å; R181-E185 WeakPolarHBondContact O-CB 3.35Å; R181-E185 PolarHBondContact O-N 3.38Å
182	V	96.4	Very high	94.7	Very high	89 Å²	89	61.7 Å²	61.7	54%	0.539	32%	0.317	S	S	.	.	H	α-helix	trans	-58.4	-39.1	176.1	171.2	0	0	0	0	112	E178 R180 G186	E178-V182 WeakPolarHBondContact O-CG2 3.39Å; E178-V182 PolarHBondContact O-N 2.88Å; R180-V182 PolarHBondContact O-N 2.85Å; V182-G186 PolarHBondContact O-N 3.31Å
183	Y	95	Very high	94.2	Very high	41 Å²	41	63.3 Å²	63.3	16%	0.161	32%	0.32	C	S	.	.	I	π-helix	trans	-67.8	-47.5	174.5	174.8	-92.2	0	0	0	112.1	Y123 Q179 R180 R181 R187 C188	Y123-Y183 AromaticContact CD2-CE1 3.8Å; Y123-Y183 HydrophobicContact CD2-CE1 3.8Å; Y123-Y183 AromaticContact CE2-CE1 3.62Å; Y123-Y183 HydrophobicContact CE2-CE1 3.62Å; Y123-Y183 AromaticContact CE2-CZ 3.88Å; Q179-Y183 PolarHBondContact O-N 2.91Å; R180-Y183 PolarHBondContact O-N 3.35Å; R181-Y183 VanDerWaalsContact C-N 3.27Å; R181-Y183 PolarHBondContact O-N 3.13Å; Y183-R187 HydrophobicContact CD2-CB 3.83Å; Y183-R187 HydrophobicContact CE2-CB 4.06Å; Y183-R187 PolarHBondContact O-N 2.84Å; Y183-R187 VanDerWaalsContact O-N 3.1Å; Y183-C188 HydrophobicContact CD1-CB 4.39Å; Y183-C188 HydrophobicContact CE1-CB 4.02Å; Y183-C188 WeakPolarHBondContact O-CB 3.35Å; Y183-C188 PolarHBondContact O-N 2.83Å
184	L	96.6	Very high	93.8	Very high	3 Å²	3	65.4 Å²	65.4	2%	0.016	31%	0.311	C	S	.	.	I	π-helix	trans	-69.6	-43.3	-173.3	-69.7	171.3	0	0	0	112.8	G124 F133 L150 L154 R180 R181	G124-L184 WeakPolarHBondContact O-CD2 3.45Å; F133-L184 HydrophobicContact CE2-CB 4.4Å; F133-L184 WeakPolarHBondContact CE2-O 3.48Å; L150-L184 HydrophobicContact CD2-CD1 3.88Å; L154-L184 HydrophobicContact CD2-CD1 4.02Å; R180-L184 WeakPolarHBondContact O-CB 3.47Å; R180-L184 VanDerWaalsContact O-CG 3.23Å; R180-L184 WeakPolarHBondContact O-CG 3.36Å; R180-L184 PolarHBondContact O-N 3.08Å; R181-L184 PolarHBondContact O-N 3.2Å; R181-L184 VanDerWaalsContact O-N 3.15Å
185	E	95.9	Very high	93.6	Very high	78 Å²	78	61.5 Å²	61.5	36%	0.364	29%	0.286	S	S	.	.	I	π-helix	trans	-78.7	-24.4	179.5	-67	-178.2	176	0	0	112.6	F133 L154 R181	F133-E185 HydrophobicContact CD1-CG 4.23Å; F133-E185 HydrophobicContact CE1-CG 4.03Å; F133-E185 HydrophobicContact CE2-CG 4.46Å; F133-E185 HydrophobicContact CZ-CG 4.14Å; L154-E185 HydrophobicContact CD1-CG 4.07Å; R181-E185 HydrophobicContact CG-CG 4.13Å; R181-E185 IonicContact CZ-OE1 3.5Å; R181-E185 IonicContact CZ-OE2 3.37Å; R181-E185 IonicContact NE-OE1 2.73Å; R181-E185 PolarHBondContact NE-OE1 3.5Å; R181-E185 IonicContact NE-OE2 3.7Å; R181-E185 PolarHBondContact NE-OE2 3.09Å; R181-E185 IonicContact NH2-OE1 3.39Å; R181-E185 PolarHBondContact NH2-OE1 2.81Å; R181-E185 VanDerWaalsContact NH2-OE1 3.1Å; R181-E185 IonicContact NH2-OE2 2.75Å; R181-E185 PolarHBondContact NH2-OE2 3.39Å; R181-E185 WeakPolarHBondContact O-CB 3.35Å; R181-E185 PolarHBondContact O-N 3.38Å
186	G	94.1	Very high	93.2	Very high	24 Å²	24	55.9 Å²	55.9	25%	0.247	26%	0.26	C	S	.	.	I	π-helix	trans	-109.1	-87.6	-177.2	0	0	0	0	0	113	V182 C188 V189 D190	V182-G186 PolarHBondContact O-N 3.31Å; G186-C188 VanDerWaalsContact C-N 3.27Å; G186-C188 PolarHBondContact O-N 3.02Å; G186-C188 VanDerWaalsContact O-N 3.16Å; G186-V189 PolarHBondContact O-N 2.76Å; G186-D190 PolarHBondContact O-N 2.73Å
187	R	92.6	Very high	92.9	Very high	169 Å²	169	61.5 Å²	61.5	64%	0.638	28%	0.284	S	S	*	.	I	π-helix	trans	-56.2	-37	-170.7	-74.3	-168.5	-74	173.8	-1.4	114.1	Y183 G191	Y183-R187 HydrophobicContact CD2-CB 3.83Å; Y183-R187 HydrophobicContact CE2-CB 4.06Å; Y183-R187 PolarHBondContact O-N 2.84Å; Y183-R187 VanDerWaalsContact O-N 3.1Å; R187-G191 PolarHBondContact O-N 2.7Å
188	C	93.9	Very high	92.6	Very high	0 Å²	0	63.5 Å²	63.5	0%	0	29%	0.294	C	S	.	.	H	α-helix	trans	-63.7	-48.2	176.8	-173.7	0	0	0	0	110.8	M29 C125 Y183 G186 F192	M29-C188 HydrophobicContact CE-CB 4.13Å; M29-C188 WeakPolarHBondContact CE-O 3.42Å; M29-C188 WeakPolarHBondContact CE-SG 3.17Å; C125-C188 HydrophobicContact CB-CB 3.93Å; C125-C188 WeakPolarHBondContact CB-SG 3.45Å; C125-C188 PolarHBondContact N-SG 3.37Å; C125-C188 WeakPolarHBondContact SG-CB 3.28Å; C125-C188 CovalentContact SG-SG 2.04Å; C125-C188 PolarHBondContact SG-SG 3.14Å; Y183-C188 HydrophobicContact CD1-CB 4.39Å; Y183-C188 HydrophobicContact CE1-CB 4.02Å; Y183-C188 WeakPolarHBondContact O-CB 3.35Å; Y183-C188 PolarHBondContact O-N 2.83Å; G186-C188 VanDerWaalsContact C-N 3.27Å; G186-C188 PolarHBondContact O-N 3.02Å; G186-C188 VanDerWaalsContact O-N 3.16Å; C188-F192 WeakPolarHBondContact O-CB 3.47Å; C188-F192 PolarHBondContact O-N 2.82Å
189	V	93.1	Very high	92.4	Very high	4 Å²	4	59.2 Å²	59.2	2%	0.024	28%	0.275	C	S	.	.	H	α-helix	trans	-65.6	-42.3	179	-179.3	0	0	0	0	111.5	V127 F133 G186 F192 R193	V127-V189 HydrophobicContact CG1-CG1 4.12Å; V127-V189 HydrophobicContact CG1-CG2 4.14Å; F133-V189 HydrophobicContact CB-CG2 4.01Å; F133-V189 HydrophobicContact CD2-CG2 3.72Å; F133-V189 HydrophobicContact CG-CG2 4.34Å; G186-V189 PolarHBondContact O-N 2.76Å; V189-F192 PolarHBondContact O-N 2.84Å; V189-R193 WeakPolarHBondContact O-CG 3.49Å; V189-R193 PolarHBondContact O-N 2.83Å
190	D	91	Very high	92.2	Very high	93 Å²	93	57.5 Å²	57.5	50%	0.497	27%	0.265	S	S	.	.	H	α-helix	trans	-66.9	-44.7	179.7	-67.9	-26.5	0	0	0	112	G186 F192 R193 R194	G186-D190 PolarHBondContact O-N 2.73Å; D190-F192 VanDerWaalsContact C-N 3.34Å; D190-R193 PolarHBondContact O-N 2.92Å; D190-R193 IonicContact OD1-NH1 3.74Å; D190-R193 PolarHBondContact OD1-NH1 2.81Å; D190-R194 PolarHBondContact O-N 2.99Å
191	G	87.8	Confident	91.8	Very high	16 Å²	16	62.6 Å²	62.6	17%	0.165	29%	0.292	C	S	.	.	H	α-helix	trans	-60.8	-44.7	174	0	0	0	0	0	111.4	R187 R193 R194 Y195	R187-G191 PolarHBondContact O-N 2.7Å; G191-R193 PolarHBondContact O-N 3.29Å; G191-R194 WeakPolarHBondContact O-CB 3.5Å; G191-R194 PolarHBondContact O-N 3.11Å; G191-Y195 WeakPolarHBondContact O-CD2 3.23Å; G191-Y195 PolarHBondContact O-N 2.81Å
192	F	85.5	Confident	91.4	Very high	1 Å²	1	62.4 Å²	62.4	0%	0.004	30%	0.296	C	S	.	.	H	α-helix	trans	-57.9	-48.8	176.7	172.8	-90.8	0	0	0	112.7	H27 M29 V52 V127 C188 V189 D190 R194 Y195 L196	H27-F192 HydrophobicContact CB-CE1 4.11Å; H27-F192 HydrophobicContact CB-CE2 3.5Å; H27-F192 VanDerWaalsContact CB-CE2 3.5Å; H27-F192 HydrophobicContact CB-CZ 3.08Å; H27-F192 AromaticContact CG-CZ 3.69Å; M29-F192 HydrophobicContact CB-CB 4.45Å; M29-F192 HydrophobicContact CB-CD2 4.04Å; M29-F192 HydrophobicContact CE-CB 4.31Å; M29-F192 HydrophobicContact SD-CB 4.44Å; V52-F192 HydrophobicContact CG1-CD2 4.09Å; V52-F192 HydrophobicContact CG1-CE2 3.68Å; V127-F192 HydrophobicContact CB-CD1 4.39Å; V127-F192 HydrophobicContact CB-CE1 4.37Å; V127-F192 HydrophobicContact CG1-CD1 4.14Å; V127-F192 HydrophobicContact CG2-CD1 3.39Å; V127-F192 HydrophobicContact CG2-CE1 3.03Å; V127-F192 HydrophobicContact CG2-CE2 4.36Å; V127-F192 HydrophobicContact CG2-CG 4.23Å; V127-F192 HydrophobicContact CG2-CZ 3.59Å; C188-F192 WeakPolarHBondContact O-CB 3.47Å; C188-F192 PolarHBondContact O-N 2.82Å; V189-F192 PolarHBondContact O-N 2.84Å; D190-F192 VanDerWaalsContact C-N 3.34Å; F192-R194 VanDerWaalsContact C-N 3.26Å; F192-R194 PolarHBondContact O-N 3.05Å; F192-Y195 PolarHBondContact O-N 3.07Å; F192-Y195 VanDerWaalsContact O-N 3.08Å; F192-L196 HydrophobicContact CD1-CD1 4.29Å; F192-L196 HydrophobicContact CD1-CG 4.32Å; F192-L196 HydrophobicContact CE1-CD1 3.17Å; F192-L196 HydrophobicContact CE1-CD2 4.42Å; F192-L196 HydrophobicContact CE1-CG 3.47Å; F192-L196 VanDerWaalsContact CE1-CG 3.47Å; F192-L196 HydrophobicContact CE2-CD1 4.31Å; F192-L196 HydrophobicContact CE2-CD2 4.12Å; F192-L196 HydrophobicContact CE2-CG 3.86Å; F192-L196 HydrophobicContact CZ-CD1 3.2Å; F192-L196 HydrophobicContact CZ-CD2 3.69Å; F192-L196 HydrophobicContact CZ-CG 3.2Å; F192-L196 PolarHBondContact O-N 2.92Å
193	R	88.3	Confident	90.9	Very high	117 Å²	117	58.3 Å²	58.3	44%	0.442	27%	0.272	S	S	.	.	H	α-helix	trans	-57.7	-41.4	178.1	-74.1	176.6	-172.5	146.7	-1.1	111.8	G131 V189 D190 G191 E197	G131-R193 PolarHBondContact O-NE 2.99Å; G131-R193 VanDerWaalsContact O-NE 3.12Å; G131-R193 PolarHBondContact O-NH2 3.34Å; V189-R193 WeakPolarHBondContact O-CG 3.49Å; V189-R193 PolarHBondContact O-N 2.83Å; D190-R193 PolarHBondContact O-N 2.92Å; D190-R193 IonicContact OD1-NH1 3.74Å; D190-R193 PolarHBondContact OD1-NH1 2.81Å; G191-R193 PolarHBondContact O-N 3.29Å; R193-E197 PolarHBondContact O-N 3.47Å
194	R	90.6	Very high	90.6	Very high	124 Å²	124	60.5 Å²	60.5	47%	0.468	28%	0.283	S	S	.	.	H	α-helix	trans	-62.6	-44.8	175.7	-173.6	178.7	-173.6	-151.1	-8.2	111.5	E79 D190 G191 F192 E197 N198	E79-R194 VanDerWaalsContact CD-NH1 3.29Å; E79-R194 IonicContact OE1-CZ 2.72Å; E79-R194 IonicContact OE1-NE 3.39Å; E79-R194 PolarHBondContact OE1-NE 2.84Å; E79-R194 IonicContact OE1-NH1 3.38Å; E79-R194 PolarHBondContact OE1-NH1 2.87Å; E79-R194 VanDerWaalsContact OE1-NH1 3.09Å; E79-R194 IonicContact OE1-NH2 2.67Å; E79-R194 PolarHBondContact OE1-NH2 2.96Å; E79-R194 IonicContact OE2-CZ 3.43Å; E79-R194 IonicContact OE2-NH1 3.35Å; E79-R194 PolarHBondContact OE2-NH1 2.92Å; E79-R194 IonicContact OE2-NH2 2.79Å; E79-R194 PolarHBondContact OE2-NH2 2.87Å; D190-R194 PolarHBondContact O-N 2.99Å; G191-R194 WeakPolarHBondContact O-CB 3.5Å; G191-R194 PolarHBondContact O-N 3.11Å; F192-R194 VanDerWaalsContact C-N 3.26Å; F192-R194 PolarHBondContact O-N 3.05Å; R194-E197 PolarHBondContact O-N 2.82Å; R194-N198 VanDerWaalsContact O-CB 3.3Å; R194-N198 WeakPolarHBondContact O-CB 3.36Å; R194-N198 PolarHBondContact O-N 3.45Å; R194-N198 PolarHBondContact O-ND2 3.39Å; R194-N198 PolarHBondContact O-OD1 2.7Å
195	Y	91.8	Very high	90.3	Very high	14 Å²	14	64.1 Å²	64.1	6%	0.055	30%	0.297	C	S	.	.	H	α-helix	trans	-69.3	-37.6	-179.2	-59.3	-29.3	0	0	0	113.3	M29 V52 F57 W75 I76 Y83 G191 F192 E197 N198 G199 L203	M29-Y195 HydrophobicContact SD-CD2 3.69Å; M29-Y195 HydrophobicContact SD-CE2 3.67Å; V52-Y195 HydrophobicContact CG2-CD2 4.21Å; F57-Y195 HydrophobicContact CE2-CD2 4.2Å; F57-Y195 AromaticContact CE2-CE2 3.76Å; F57-Y195 HydrophobicContact CE2-CE2 3.76Å; F57-Y195 HydrophobicContact CZ-CD2 4.27Å; F57-Y195 AromaticContact CZ-CE2 3.93Å; F57-Y195 HydrophobicContact CZ-CE2 3.93Å; W75-Y195 HydrophobicContact CH2-CG 4.3Å; W75-Y195 AromaticContact CZ3-CD1 3.87Å; W75-Y195 HydrophobicContact CZ3-CD1 3.87Å; W75-Y195 AromaticContact CZ3-CG 3.76Å; W75-Y195 HydrophobicContact CZ3-CG 3.76Å; I76-Y195 HydrophobicContact CD1-CD1 3.7Å; I76-Y195 HydrophobicContact CD1-CE1 3.32Å; Y83-Y195 WeakPolarHBondContact CE2-OH 3.17Å; Y83-Y195 PolarHBondContact OH-OH 3.01Å; G191-Y195 WeakPolarHBondContact O-CD2 3.23Å; G191-Y195 PolarHBondContact O-N 2.81Å; F192-Y195 PolarHBondContact O-N 3.07Å; F192-Y195 VanDerWaalsContact O-N 3.08Å; Y195-E197 VanDerWaalsContact C-N 3.35Å; Y195-N198 PolarHBondContact O-N 3.47Å; Y195-G199 WeakPolarHBondContact O-CA 3.36Å; Y195-G199 PolarHBondContact O-N 2.87Å; Y195-L203 WeakPolarHBondContact O-CD1 3.44Å
196	L	88.6	Confident	90.1	Very high	21 Å²	21	63 Å²	63	11%	0.11	30%	0.295	C	S	.	.	H	α-helix	trans	-61	-43	172.1	-86	-165.2	0	0	0	112.5	V52 F192 G199 K200 L203 Q204	V52-L196 HydrophobicContact CG1-CD2 4.5Å; F192-L196 HydrophobicContact CD1-CD1 4.29Å; F192-L196 HydrophobicContact CD1-CG 4.32Å; F192-L196 HydrophobicContact CE1-CD1 3.17Å; F192-L196 HydrophobicContact CE1-CD2 4.42Å; F192-L196 HydrophobicContact CE1-CG 3.47Å; F192-L196 VanDerWaalsContact CE1-CG 3.47Å; F192-L196 HydrophobicContact CE2-CD1 4.31Å; F192-L196 HydrophobicContact CE2-CD2 4.12Å; F192-L196 HydrophobicContact CE2-CG 3.86Å; F192-L196 HydrophobicContact CZ-CD1 3.2Å; F192-L196 HydrophobicContact CZ-CD2 3.69Å; F192-L196 HydrophobicContact CZ-CG 3.2Å; F192-L196 PolarHBondContact O-N 2.92Å; L196-G199 CarbonylContact O-C 3.57Å; L196-K200 WeakPolarHBondContact O-CA 3.18Å; L196-K200 WeakPolarHBondContact O-CB 3.01Å; L196-K200 PolarHBondContact O-N 3.35Å; L196-L203 HydrophobicContact CD2-CB 3.93Å; L196-L203 HydrophobicContact CD2-CD1 4.17Å; L196-Q204 HydrophobicContact CD2-CG 4.35Å
197	E	89.9	Confident	90.1	Very high	130 Å²	130	64.2 Å²	64.2	61%	0.607	30%	0.296	S	S	*	.	H	α-helix	trans	-66.7	-46.2	179.3	-171.4	59.9	-153.2	0	0	110.4	R193 R194 Y195 G199	R193-E197 PolarHBondContact O-N 3.47Å; R194-E197 PolarHBondContact O-N 2.82Å; Y195-E197 VanDerWaalsContact C-N 3.35Å; E197-G199 VanDerWaalsContact C-N 3.33Å; E197-G199 PolarHBondContact O-N 2.72Å
198	N	91.9	Very high	90.4	Very high	50 Å²	50	59.1 Å²	59.1	27%	0.267	29%	0.285	S	S	.	.	H	α-helix	trans	-59.7	-41.9	177.1	-73.6	-1.1	0	0	0	112.9	W75 Q78 R194 Y195	W75-N198 WeakPolarHBondContact CB-O 3.16Å; Q78-N198 PolarHBondContact NE2-ND2 2.85Å; Q78-N198 VanDerWaalsContact NE2-ND2 3.2Å; Q78-N198 PolarHBondContact NE2-OD1 2.83Å; R194-N198 VanDerWaalsContact O-CB 3.3Å; R194-N198 WeakPolarHBondContact O-CB 3.36Å; R194-N198 PolarHBondContact O-N 3.45Å; R194-N198 PolarHBondContact O-ND2 3.39Å; R194-N198 PolarHBondContact O-OD1 2.7Å; Y195-N198 PolarHBondContact O-N 3.47Å
199	G	90.6	Very high	90.5	Very high	3 Å²	3	59.5 Å²	59.5	3%	0.031	29%	0.287	C	S	.	.	T	Hydrogen-bonded Turn	trans	-103.4	17.3	-173.8	0	0	0	0	0	113.9	Y195 L196 E197 E201 T202 L203	Y195-G199 WeakPolarHBondContact O-CA 3.36Å; Y195-G199 PolarHBondContact O-N 2.87Å; L196-G199 CarbonylContact O-C 3.57Å; E197-G199 VanDerWaalsContact C-N 3.33Å; E197-G199 PolarHBondContact O-N 2.72Å; G199-E201 VanDerWaalsContact C-N 3.28Å; G199-E201 PolarHBondContact O-N 3.43Å; G199-E201 VanDerWaalsContact O-N 3.14Å; G199-T202 CarbonylContact O-C 3.59Å; G199-T202 WeakPolarHBondContact O-CA 3.41Å; G199-T202 PolarHBondContact O-N 2.89Å; G199-L203 PolarHBondContact O-N 3.41Å
200	K	89.5	Confident	90.8	Very high	106 Å²	106	66.8 Å²	66.8	46%	0.461	32%	0.319	S	S	.	.	H	α-helix	trans	-49.8	-45.1	-168.9	-175.8	174.1	-177	173.9	0	113.8	L196 T202 Q204	L196-K200 WeakPolarHBondContact O-CA 3.18Å; L196-K200 WeakPolarHBondContact O-CB 3.01Å; L196-K200 PolarHBondContact O-N 3.35Å; K200-T202 PolarHBondContact O-N 2.93Å; K200-Q204 WeakPolarHBondContact O-CB 3.17Å; K200-Q204 PolarHBondContact O-N 3.32Å; K200-Q204 VanDerWaalsContact O-N 3.12Å
201	E	87.9	Confident	91.1	Very high	181 Å²	181	64.1 Å²	64.1	85%	0.846	31%	0.306	S	S	*	.	H	α-helix	trans	-64.8	-23.4	-179.9	-62.3	-175.1	166.7	0	0	113.7	G199	G199-E201 VanDerWaalsContact C-N 3.28Å; G199-E201 PolarHBondContact O-N 3.43Å; G199-E201 VanDerWaalsContact O-N 3.14Å
202	T	87.5	Confident	91.4	Very high	46 Å²	46	67 Å²	67	28%	0.282	32%	0.315	S	S	.	.	H	α-helix	trans	-103.8	-41.8	-178.8	-52.7	0	0	0	0	112.5	G199 K200 R205	G199-T202 CarbonylContact O-C 3.59Å; G199-T202 WeakPolarHBondContact O-CA 3.41Å; G199-T202 PolarHBondContact O-N 2.89Å; K200-T202 PolarHBondContact O-N 2.93Å; T202-R205 VanDerWaalsContact O-CG 3.28Å; T202-R205 WeakPolarHBondContact O-CG 3.46Å
203	L	87.5	Confident	91.8	Very high	4 Å²	4	68.6 Å²	68.6	2%	0.021	32%	0.323	C	S	.	.	H	α-helix	trans	-84.9	-27.5	-172.7	-62.7	173.8	0	0	0	112.9	V52 T55 W75 Y195 L196 G199	V52-L203 HydrophobicContact CB-CD1 4.28Å; V52-L203 HydrophobicContact CB-CD2 4.11Å; V52-L203 HydrophobicContact CG1-CD1 3.91Å; V52-L203 HydrophobicContact CG1-CD2 4.1Å; T55-L203 HydrophobicContact CG2-CD2 4.11Å; W75-L203 HydrophobicContact CH2-CD1 4.32Å; W75-L203 HydrophobicContact CZ2-CD1 3.87Å; W75-L203 HydrophobicContact CZ2-CD2 4.09Å; W75-L203 HydrophobicContact CZ2-CG 4.37Å; Y195-L203 WeakPolarHBondContact O-CD1 3.44Å; L196-L203 HydrophobicContact CD2-CB 3.93Å; L196-L203 HydrophobicContact CD2-CD1 4.17Å; G199-L203 PolarHBondContact O-N 3.41Å
204	Q	87.1	Confident	92.1	Very high	86 Å²	86	64.7 Å²	64.7	40%	0.402	31%	0.312	S	S	.	.	S	Bend	trans	-103.5	12.8	176.6	-58.1	178.4	15.9	0	0	112	L196 K200	L196-Q204 HydrophobicContact CD2-CG 4.35Å; K200-Q204 WeakPolarHBondContact O-CB 3.17Å; K200-Q204 PolarHBondContact O-N 3.32Å; K200-Q204 VanDerWaalsContact O-N 3.12Å
205	R	90.4	Very high	92.3	Very high	80 Å²	80	61.3 Å²	61.3	30%	0.302	30%	0.301	S	S	.	.			trans	-78.1	152.3	172.2	84.2	-172.3	170.6	-178.8	4	109.3	T202 D207 Y233	T202-R205 VanDerWaalsContact O-CG 3.28Å; T202-R205 WeakPolarHBondContact O-CG 3.46Å; R205-D207 IonicContact CZ-OD2 3.48Å; R205-D207 IonicContact NE-OD2 3.2Å; R205-D207 PolarHBondContact NE-OD2 3.17Å; R205-Y233 HydrophobicContact CG-CD1 3.81Å; R205-Y233 HydrophobicContact CG-CE1 4.26Å; R205-Y233 WeakPolarHBondContact O-CD1 3.38Å
206	T	92.4	Very high	92.3	Very high	53 Å²	53	64.6 Å²	64.6	33%	0.325	32%	0.317	S	S	.	.			trans	-133.5	112	171.9	-36.9	0	0	0	0	108.1	Y233 E288	T206-Y233 WeakPolarHBondContact CA-O 3.32Å; T206-E288 HydrophobicContact CG2-CB 3.67Å; T206-E288 HydrophobicContact CG2-CG 4.03Å
207	D	95.1	Very high	92.6	Very high	51 Å²	51	68.2 Å²	68.2	27%	0.273	34%	0.342	S	S	.	.	B	Isolated β-bridge	trans	-100.3	113.1	-179.3	-64.3	-38.8	0	0	0	108	R205 F232 Y233 H287	R205-D207 IonicContact CZ-OD2 3.48Å; R205-D207 IonicContact NE-OD2 3.2Å; R205-D207 PolarHBondContact NE-OD2 3.17Å; D207-F232 WeakPolarHBondContact O-CA 3.32Å; D207-F232 WeakPolarHBondContact O-CB 3.47Å; D207-Y233 PolarHBondContact N-O 3.41Å; D207-Y233 PolarHBondContact O-N 3.4Å; D207-Y233 VanDerWaalsContact O-N 3.08Å; D207-H287 PolarHBondContact O-CE1 3.23Å; D207-H287 VanDerWaalsContact O-CE1 3.29Å
208	P	96.9	Very high	92.6	Very high	61 Å²	61	66.6 Å²	66.6	40%	0.396	34%	0.336	S	S	.	.			trans	-68.7	147.2	-179.1	25.5	-32.7	0	0	0	111.8	K210 L290	P208-K210 PolarHBondContact O-N 2.9Å; P208-L290 HydrophobicContact CB-CD2 3.9Å; P208-L290 HydrophobicContact CB-CG 4.48Å
209	P	97.9	Very high	92.6	Very high	9 Å²	9	66.7 Å²	66.7	6%	0.058	34%	0.341	C	S	.	.			trans	-66	130.7	179.1	27.4	-35.2	0	0	0	112	T211 A229 F232 I237 V285 H287 L290	P209-T211 HydrophobicContact CB-CG2 4.13Å; P209-T211 HydrophobicContact CG-CG2 4.34Å; P209-T211 PolarHBondContact O-N 3.23Å; P209-A229 HydrophobicContact CB-CB 3.87Å; P209-F232 HydrophobicContact CB-CB 3.85Å; P209-F232 HydrophobicContact CB-CD1 3.88Å; P209-F232 HydrophobicContact CB-CG 4.13Å; P209-I237 HydrophobicContact CB-CD1 3.97Å; P209-I237 HydrophobicContact CG-CD1 4.02Å; P209-V285 HydrophobicContact CG-CG1 3.93Å; P209-H287 HydrophobicContact CG-CB 3.96Å; P209-L290 HydrophobicContact CG-CD1 3.86Å; P209-L290 HydrophobicContact CG-CD2 4.41Å; P209-L290 HydrophobicContact CG-CG 4.2Å
210	K	97.9	Very high	92.6	Very high	157 Å²	157	73.6 Å²	73.6	68%	0.683	38%	0.377	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-76.9	111.9	163.9	-64.3	174.3	-173.4	168.9	0	107.7	P208 L230	P208-K210 PolarHBondContact O-N 2.9Å; K210-L230 PolarHBondContact N-O 3.39Å; K210-L230 PolarHBondContact O-N 3.13Å
211	T	97	Very high	92.7	Very high	37 Å²	37	75.4 Å²	75.4	23%	0.227	39%	0.387	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-107.2	142	-174.2	53	0	0	0	0	111.9	P209 W228 A229 V285 L294 L296	P209-T211 HydrophobicContact CB-CG2 4.13Å; P209-T211 HydrophobicContact CG-CG2 4.34Å; P209-T211 PolarHBondContact O-N 3.23Å; T211-W228 WeakPolarHBondContact CA-O 3.18Å; T211-A229 HydrophobicContact CG2-CB 4.35Å; T211-V285 HydrophobicContact CG2-CB 4.43Å; T211-V285 HydrophobicContact CG2-CG1 4.18Å; T211-V285 HydrophobicContact CG2-CG2 4.04Å; T211-L294 HydrophobicContact CG2-CD1 4.36Å; T211-L296 HydrophobicContact CG2-CD1 4.11Å
212	H	94.3	Very high	93	Very high	77 Å²	77	71.2 Å²	71.2	36%	0.356	37%	0.367	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-154.8	162.3	171.6	67.6	-78.7	0	0	0	110.3	W228	H212-W228 AromaticContact CD2-CD1 3.93Å; H212-W228 WeakPolarHBondContact CE1-CB 3.46Å; H212-W228 AromaticContact CE1-CD1 3.86Å; H212-W228 AromaticContact CE1-CG 3.54Å; H212-W228 PolarHBondContact N-O 3.02Å; H212-W228 AromaticContact NE2-CD1 3.42Å; H212-W228 AromaticContact NE2-CG 3.59Å; H212-W228 PolarHBondContact O-N 3.22Å
213	M	95.1	Very high	93.4	Very high	33 Å²	33	69 Å²	69	16%	0.163	35%	0.354	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-112.8	144.5	175.6	-84.5	159.1	128.4	0	0	110.9	R226 W241 C283 L296 W298	M213-R226 WeakPolarHBondContact CA-O 3.28Å; M213-W241 HydrophobicContact CE-CH2 3.1Å; M213-W241 HydrophobicContact CE-CZ2 4.11Å; M213-W241 HydrophobicContact CE-CZ3 3.41Å; M213-W241 VanDerWaalsContact CE-CZ3 3.41Å; M213-C283 HydrophobicContact CE-CB 4.03Å; M213-L296 HydrophobicContact CE-CB 4.38Å; M213-L296 HydrophobicContact SD-CB 3.67Å; M213-W298 HydrophobicContact CE-CB 4.5Å; M213-W298 HydrophobicContact SD-CB 4.4Å; M213-W298 PolarHBondContact SD-N 2.81Å
214	T	94.3	Very high	93.8	Very high	35 Å²	35	69.9 Å²	69.9	22%	0.215	36%	0.36	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-124.1	142	172	50.4	0	0	0	0	109	H216 R226 W228	T214-H216 VanDerWaalsContact CB-CE1 3.43Å; T214-H216 WeakPolarHBondContact CB-CE1 3.33Å; T214-H216 PolarHBondContact OG1-CE1 2.7Å; T214-R226 PolarHBondContact N-O 3.08Å; T214-R226 PolarHBondContact O-N 3.42Å; T214-R226 WeakPolarHBondContact OG1-CB 3.38Å; T214-R226 PolarHBondContact OG1-O 2.9Å; T214-W228 PolarHBondContact OG1-NE1 3.1Å; T214-W228 VanDerWaalsContact OG1-NE1 3.13Å
215	H	94.1	Very high	94.3	Very high	54 Å²	54	65.8 Å²	65.8	25%	0.25	34%	0.341	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-121.1	124.4	-178.7	168.9	-93.9	0	0	0	108.6	A223 T224 L225 E278 W298	H215-A223 WeakPolarHBondContact NE2-CB 3.32Å; H215-T224 WeakPolarHBondContact CA-O 3.4Å; H215-L225 HydrophobicContact CB-CD2 3.97Å; H215-E278 IonicContact NE2-OE1 3.8Å; H215-W298 HydrophobicContact CB-CD2 4.44Å; H215-W298 HydrophobicContact CB-CZ2 3.95Å; H215-W298 AromaticContact CD2-CZ2 3.96Å; H215-W298 AromaticContact CG-CE2 3.8Å; H215-W298 AromaticContact CG-CZ2 3.66Å; H215-W298 AromaticContact ND1-CZ2 3.84Å
216	H	93.4	Very high	94.6	Very high	83 Å²	83	64.4 Å²	64.4	38%	0.384	34%	0.335	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-126.4	104.5	-177.7	-57.4	85.7	0	0	0	108.8	T214 I218 A223 T224 R226	T214-H216 VanDerWaalsContact CB-CE1 3.43Å; T214-H216 WeakPolarHBondContact CB-CE1 3.33Å; T214-H216 PolarHBondContact OG1-CE1 2.7Å; H216-I218 PolarHBondContact O-N 2.79Å; H216-A223 CarbonylContact O-C 3.53Å; H216-A223 WeakPolarHBondContact O-CA 3.4Å; H216-T224 PolarHBondContact N-O 3.44Å; H216-T224 PolarHBondContact O-N 3.2Å; H216-R226 PolarHBondContact CE1-NH1 3.27Å
217	P	93	Very high	94.9	Very high	97 Å²	97	61.9 Å²	61.9	63%	0.63	32%	0.32	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-57.4	130.7	172.3	-21.3	31.8	0	0	0	110.5
218	I	91.7	Very high	95	Very high	95 Å²	95	61.7 Å²	61.7	49%	0.487	32%	0.315	S	S	.	.			trans	-98.6	-44.3	174	-60.5	162.1	0	0	0	109.3	H216 E222 T224 V272	H216-I218 PolarHBondContact O-N 2.79Å; I218-E222 PolarHBondContact N-O 3.13Å; I218-T224 WeakPolarHBondContact CD1-OG1 3.35Å; I218-V272 HydrophobicContact CD1-CG1 4.05Å; I218-V272 HydrophobicContact CD1-CG2 4.11Å
219	S	91.9	Very high	95.1	Very high	53 Å²	53	58.8 Å²	58.8	37%	0.371	30%	0.296	S	S	.	.	S	Bend	trans	-147.8	-178.8	178.3	72.1	0	0	0	0	110.2	H221 E222	S219-H221 PolarHBondContact O-N 2.77Å; S219-H221 PolarHBondContact OG-N 3.21Å; S219-E222 PolarHBondContact N-O 3.35Å; S219-E222 VanDerWaalsContact O-O 3.11Å; S219-E222 PolarHBondContact OG-N 3.1Å
220	D	89.1	Confident	95.1	Very high	148 Å²	148	61 Å²	61	79%	0.791	31%	0.307	S	S	*	.	S	Bend	trans	-62.6	-19.8	172.8	-65.3	-22.8	0	0	0	112.6	S275	D220-S275 WeakPolarHBondContact O-CB 3.49Å; D220-S275 PolarHBondContact O-OG 3.45Å
221	H	92.4	Very high	95.1	Very high	144 Å²	144	54.7 Å²	54.7	67%	0.667	29%	0.287	S	S	*	.	S	Bend	trans	-106.1	-16.6	-174.1	-55.8	-49.9	0	0	0	114.1	S219 P274 S275	S219-H221 PolarHBondContact O-N 2.77Å; S219-H221 PolarHBondContact OG-N 3.21Å; H221-P274 CarbonylContact O-C 3.59Å; H221-P274 WeakPolarHBondContact O-CA 3.46Å; H221-S275 PolarHBondContact O-N 2.98Å; H221-S275 PolarHBondContact O-OG 2.89Å
222	E	94.8	Very high	95.1	Very high	92 Å²	92	53 Å²	53	43%	0.43	28%	0.276	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-145	146.8	-171.5	-66.4	-179.2	166	0	0	112.6	I218 S219 V272 V273 S275	I218-E222 PolarHBondContact N-O 3.13Å; S219-E222 PolarHBondContact N-O 3.35Å; S219-E222 VanDerWaalsContact O-O 3.11Å; S219-E222 PolarHBondContact OG-N 3.1Å; E222-V272 HydrophobicContact CB-CG1 4.1Å; E222-V272 HydrophobicContact CG-CG1 4.31Å; E222-V273 WeakPolarHBondContact CA-O 3.4Å; E222-S275 PolarHBondContact N-OG 3.43Å
223	A	94.9	Very high	95.1	Very high	1 Å²	1	49.4 Å²	49.4	1%	0.008	26%	0.26	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-136.2	154.4	172.1	0	0	0	0	0	111.2	H215 H216 V272 V273	H215-A223 WeakPolarHBondContact NE2-CB 3.32Å; H216-A223 CarbonylContact O-C 3.53Å; H216-A223 WeakPolarHBondContact O-CA 3.4Å; A223-V272 WeakPolarHBondContact O-CA 3.42Å; A223-V273 HydrophobicContact CB-CG2 4.5Å; A223-V273 PolarHBondContact N-O 2.66Å; A223-V273 WeakPolarHBondContact O-CG2 3.33Å; A223-V273 PolarHBondContact O-N 3.03Å
224	T	96.7	Very high	95.1	Very high	22 Å²	22	48.8 Å²	48.8	14%	0.135	26%	0.258	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-93	122	168.5	-52.8	0	0	0	0	109.7	H215 H216 I218 A270 V271	H215-T224 WeakPolarHBondContact CA-O 3.4Å; H216-T224 PolarHBondContact N-O 3.44Å; H216-T224 PolarHBondContact O-N 3.2Å; I218-T224 WeakPolarHBondContact CD1-OG1 3.35Å; T224-A270 HydrophobicContact CG2-CB 3.85Å; T224-V271 WeakPolarHBondContact CA-O 3.45Å
225	L	97	Very high	95.1	Very high	0 Å²	0	47.7 Å²	47.7	0%	0	25%	0.253	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-93.6	127	163.1	-66.2	179.9	0	0	0	109.3	H215 W241 A270 V271 V273 E278 W298	H215-L225 HydrophobicContact CB-CD2 3.97Å; L225-W241 HydrophobicContact CB-CH2 3.53Å; L225-W241 HydrophobicContact CB-CZ2 3.9Å; L225-W241 HydrophobicContact CB-CZ3 4.38Å; L225-W241 HydrophobicContact CD1-CH2 4.07Å; L225-W241 HydrophobicContact CD1-CZ3 4.23Å; L225-W241 HydrophobicContact CG-CH2 4.45Å; L225-A270 CarbonylContact O-C 3.56Å; L225-A270 WeakPolarHBondContact O-CA 3.45Å; L225-V271 HydrophobicContact CB-CG1 4.31Å; L225-V271 PolarHBondContact N-O 3.23Å; L225-V271 PolarHBondContact O-N 2.98Å; L225-V273 HydrophobicContact CD1-CG1 3.98Å; L225-V273 HydrophobicContact CD1-CG2 3.98Å; L225-V273 HydrophobicContact CG-CG1 4.25Å; L225-V273 HydrophobicContact CG-CG2 3.85Å; L225-E278 HydrophobicContact CD1-CB 4.03Å; L225-E278 HydrophobicContact CD1-CG 4.38Å; L225-E278 HydrophobicContact CD2-CG 4.38Å; L225-W298 HydrophobicContact CD1-CB 4.4Å; L225-W298 HydrophobicContact CD2-CB 3.91Å; L225-W298 HydrophobicContact CD2-CD2 4.23Å; L225-W298 HydrophobicContact CD2-CG 3.83Å
226	R	97.5	Very high	95.2	Very high	51 Å²	51	51.3 Å²	51.3	19%	0.192	27%	0.27	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-122.4	120.9	176.4	-176.6	-178.7	-63.4	116.9	2.4	110.5	M213 T214 H216 W228 W268 A269 A270	M213-R226 WeakPolarHBondContact CA-O 3.28Å; T214-R226 PolarHBondContact N-O 3.08Å; T214-R226 PolarHBondContact O-N 3.42Å; T214-R226 WeakPolarHBondContact OG1-CB 3.38Å; T214-R226 PolarHBondContact OG1-O 2.9Å; H216-R226 PolarHBondContact CE1-NH1 3.27Å; R226-W228 VanDerWaalsContact CD-CE2 3.41Å; R226-W228 VanDerWaalsContact CD-CZ2 3.42Å; R226-W228 HydrophobicContact CG-CZ2 4.47Å; R226-W268 HydrophobicContact CG-CB 4.05Å; R226-W268 HydrophobicContact CG-CD2 4.13Å; R226-W268 HydrophobicContact CG-CE3 3.85Å; R226-W268 HydrophobicContact CG-CG 4.27Å; R226-A269 WeakPolarHBondContact CA-O 3.43Å; R226-A270 HydrophobicContact CB-CB 4.01Å; R226-A270 HydrophobicContact CG-CB 4.1Å
227	C	97.6	Very high	95.3	Very high	0 Å²	0	47.8 Å²	47.8	0%	0	25%	0.254	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-93.9	121.9	175.4	-175	0	0	0	0	109.5	W241 W268 A269 C283	C227-W241 HydrophobicContact CB-CZ2 3.71Å; C227-W268 CarbonylContact O-C 3.53Å; C227-W268 WeakPolarHBondContact O-CA 3.35Å; C227-W268 VanDerWaalsContact O-CB 3.24Å; C227-W268 WeakPolarHBondContact O-CB 3.15Å; C227-A269 PolarHBondContact N-O 2.84Å; C227-A269 PolarHBondContact O-N 3.03Å; C227-C283 HydrophobicContact CB-CB 3.51Å; C227-C283 WeakPolarHBondContact CB-SG 3.41Å; C227-C283 WeakPolarHBondContact SG-CB 3.2Å; C227-C283 CovalentContact SG-SG 2.03Å; C227-C283 PolarHBondContact SG-SG 3.16Å
228	W	98.1	Very high	95.5	Very high	46 Å²	46	45.6 Å²	45.6	17%	0.174	24%	0.239	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-106.1	141.9	-179.2	-70.2	89.7	0	0	0	110.7	T211 H212 T214 R226 L230 W268	T211-W228 WeakPolarHBondContact CA-O 3.18Å; H212-W228 AromaticContact CD2-CD1 3.93Å; H212-W228 WeakPolarHBondContact CE1-CB 3.46Å; H212-W228 AromaticContact CE1-CD1 3.86Å; H212-W228 AromaticContact CE1-CG 3.54Å; H212-W228 PolarHBondContact N-O 3.02Å; H212-W228 AromaticContact NE2-CD1 3.42Å; H212-W228 AromaticContact NE2-CG 3.59Å; H212-W228 PolarHBondContact O-N 3.22Å; T214-W228 PolarHBondContact OG1-NE1 3.1Å; T214-W228 VanDerWaalsContact OG1-NE1 3.13Å; R226-W228 VanDerWaalsContact CD-CE2 3.41Å; R226-W228 VanDerWaalsContact CD-CZ2 3.42Å; R226-W228 HydrophobicContact CG-CZ2 4.47Å; W228-L230 HydrophobicContact CE3-CD2 3.94Å; W228-L230 HydrophobicContact CZ3-CD2 4.48Å; W228-W268 HydrophobicContact CD2-CB 3.92Å; W228-W268 HydrophobicContact CD2-CG 4.41Å; W228-W268 HydrophobicContact CE3-CB 3.87Å; W228-W268 AromaticContact CE3-CD1 3.84Å; W228-W268 HydrophobicContact CE3-CG 4.15Å; W228-W268 HydrophobicContact CG-CB 4.33Å; W228-W268 AromaticContact CH2-CD1 3.61Å; W228-W268 HydrophobicContact CH2-CG 4.24Å; W228-W268 HydrophobicContact CZ2-CG 4.49Å; W228-W268 HydrophobicContact CZ3-CB 4.3Å; W228-W268 AromaticContact CZ3-CD1 3.38Å; W228-W268 HydrophobicContact CZ3-CG 4.08Å
229	A	98.3	Very high	95.7	Very high	0 Å²	0	41.4 Å²	41.4	0%	0	22%	0.217	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-125.3	123.2	164.1	0	0	0	0	0	107.9	P209 T211 F232 I237 L239 Q266 K267	P209-A229 HydrophobicContact CB-CB 3.87Å; T211-A229 HydrophobicContact CG2-CB 4.35Å; A229-F232 HydrophobicContact CB-CD1 4.09Å; A229-F232 HydrophobicContact CB-CE1 3.84Å; A229-F232 WeakPolarHBondContact O-CE1 3.3Å; A229-I237 HydrophobicContact CB-CD1 3.69Å; A229-L239 HydrophobicContact CB-CD1 4.06Å; A229-L239 HydrophobicContact CB-CD2 4.19Å; A229-Q266 VanDerWaalsContact O-CA 3.31Å; A229-Q266 WeakPolarHBondContact O-CA 3.19Å; A229-K267 PolarHBondContact N-O 2.99Å; A229-K267 PolarHBondContact O-N 3.47Å; A229-K267 VanDerWaalsContact O-O 3.07Å
230	L	98.2	Very high	95.9	Very high	56 Å²	56	40.9 Å²	40.9	29%	0.293	21%	0.212	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-130.7	149.1	-175.1	-59.6	179.1	0	0	0	111.2	K210 W228 F232 Q266	K210-L230 PolarHBondContact N-O 3.39Å; K210-L230 PolarHBondContact O-N 3.13Å; W228-L230 HydrophobicContact CE3-CD2 3.94Å; W228-L230 HydrophobicContact CZ3-CD2 4.48Å; L230-F232 VanDerWaalsContact C-N 3.35Å; L230-F232 PolarHBondContact O-N 3.19Å; L230-Q266 HydrophobicContact CD2-CB 3.52Å
231	G	97.3	Very high	96.3	Very high	25 Å²	25	33.9 Å²	33.9	26%	0.258	17%	0.174	S	C	.	.	E	Extended strand (participates in β ladder)	trans	68.2	32.3	167.5	0	0	0	0	0	113.8	F265	G231-F265 PolarHBondContact N-O 3.34Å
232	F	97.1	Very high	96.6	Very high	0 Å²	0	29 Å²	29	0%	0	15%	0.152	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-103.1	154.9	179.9	58.8	-89.8	0	0	0	112.6	D207 P209 A229 L230 P234 I237 T257 T264 F265 K267 H287	D207-F232 WeakPolarHBondContact O-CA 3.32Å; D207-F232 WeakPolarHBondContact O-CB 3.47Å; P209-F232 HydrophobicContact CB-CB 3.85Å; P209-F232 HydrophobicContact CB-CD1 3.88Å; P209-F232 HydrophobicContact CB-CG 4.13Å; A229-F232 HydrophobicContact CB-CD1 4.09Å; A229-F232 HydrophobicContact CB-CE1 3.84Å; A229-F232 WeakPolarHBondContact O-CE1 3.3Å; L230-F232 VanDerWaalsContact C-N 3.35Å; L230-F232 PolarHBondContact O-N 3.19Å; F232-P234 WeakPolarHBondContact CD2-O 3.35Å; F232-I237 HydrophobicContact CD1-CD1 3.89Å; F232-I237 HydrophobicContact CD2-CB 4.27Å; F232-I237 HydrophobicContact CD2-CD1 4Å; F232-I237 HydrophobicContact CE1-CD1 3.79Å; F232-I237 HydrophobicContact CE1-CG2 4.44Å; F232-I237 HydrophobicContact CE2-CB 3.75Å; F232-I237 HydrophobicContact CE2-CD1 3.93Å; F232-I237 HydrophobicContact CE2-CG1 4.43Å; F232-I237 HydrophobicContact CE2-CG2 3.56Å; F232-I237 HydrophobicContact CG-CD1 4Å; F232-I237 HydrophobicContact CZ-CB 4.14Å; F232-I237 HydrophobicContact CZ-CD1 3.85Å; F232-I237 HydrophobicContact CZ-CG2 3.54Å; F232-T257 HydrophobicContact CE2-CG2 4.08Å; F232-T257 HydrophobicContact CZ-CG2 3.94Å; F232-T264 WeakPolarHBondContact O-CA 3.47Å; F232-F265 VanDerWaalsContact CD1-O 3.32Å; F232-F265 WeakPolarHBondContact CD1-O 3.17Å; F232-F265 HydrophobicContact CD2-CB 3.92Å; F232-F265 HydrophobicContact CE1-CB 4.3Å; F232-F265 WeakPolarHBondContact CE1-O 3.04Å; F232-F265 HydrophobicContact CE2-CB 3.46Å; F232-F265 VanDerWaalsContact CE2-CB 3.46Å; F232-F265 HydrophobicContact CE2-CG 4.48Å; F232-F265 HydrophobicContact CG-CB 4.49Å; F232-F265 HydrophobicContact CZ-CB 3.66Å; F232-F265 PolarHBondContact N-O 3.08Å; F232-F265 PolarHBondContact O-N 3.19Å; F232-K267 HydrophobicContact CE1-CB 4.38Å; F232-K267 HydrophobicContact CZ-CB 4.1Å; F232-H287 AromaticContact CD2-CD2 3.86Å; F232-H287 AromaticContact CD2-NE2 3.74Å
233	Y	94.9	Very high	96.6	Very high	3 Å²	3	28 Å²	28	1%	0.012	14%	0.144	C	C	.	.	B	Isolated β-bridge	trans	-151	134.6	173.6	-179.5	-88.3	0	0	0	109	D54 T55 R205 T206 D207 G263 F265 H287	D54-Y233 HydrophobicContact CB-CE2 4.15Å; T55-Y233 PolarHBondContact OG1-OH 3.47Å; R205-Y233 HydrophobicContact CG-CD1 3.81Å; R205-Y233 HydrophobicContact CG-CE1 4.26Å; R205-Y233 WeakPolarHBondContact O-CD1 3.38Å; T206-Y233 WeakPolarHBondContact CA-O 3.32Å; D207-Y233 PolarHBondContact N-O 3.41Å; D207-Y233 PolarHBondContact O-N 3.4Å; D207-Y233 VanDerWaalsContact O-N 3.08Å; Y233-G263 WeakPolarHBondContact CD2-O 3.35Å; Y233-F265 HydrophobicContact CD2-CD2 4.37Å; Y233-F265 AromaticContact CD2-CE2 3.93Å; Y233-F265 HydrophobicContact CD2-CE2 3.93Å; Y233-F265 HydrophobicContact CE2-CE2 4.34Å; Y233-H287 PolarHBondContact O-CE1 3.42Å; Y233-H287 VanDerWaalsContact O-CE1 3.23Å
234	P	93.9	Very high	96.6	Very high	19 Å²	19	32.7 Å²	32.7	12%	0.123	17%	0.169	C	C	.	.	S	Bend	cis	-73.5	179.1	3.8	31.5	-37.1	0	0	0	113.4	D54 F232 E236 H287	D54-P234 WeakPolarHBondContact OD2-CB 3.47Å; F232-P234 WeakPolarHBondContact CD2-O 3.35Å; P234-E236 VanDerWaalsContact C-N 3.3Å; P234-E236 PolarHBondContact O-N 3.41Å; P234-H287 PolarHBondContact O-NE2 2.97Å
235	A	95.4	Very high	96.3	Very high	13 Å²	13	34 Å²	34	11%	0.107	19%	0.187	C	C	.	.	S	Bend	trans	-69.9	-24.7	-175.5	0	0	0	0	0	113.8	D54 I237 T257 F265	D54-A235 HydrophobicContact CB-CB 4.28Å; D54-A235 VanDerWaalsContact OD2-CB 3.31Å; D54-A235 WeakPolarHBondContact OD2-CB 3.35Å; D54-A235 PolarHBondContact OD2-N 2.81Å; A235-I237 PolarHBondContact O-N 2.86Å; A235-T257 HydrophobicContact CB-CG2 4.27Å; A235-T257 WeakPolarHBondContact O-CG2 3.37Å; A235-F265 HydrophobicContact CB-CD1 3.71Å; A235-F265 HydrophobicContact CB-CD2 3.68Å; A235-F265 HydrophobicContact CB-CE1 3.71Å; A235-F265 HydrophobicContact CB-CE2 3.69Å; A235-F265 HydrophobicContact CB-CG 3.71Å; A235-F265 HydrophobicContact CB-CZ 3.73Å
236	E	95	Very high	96.2	Very high	129 Å²	129	41 Å²	41	60%	0.603	22%	0.22	S	C	*	.			trans	-64.4	116	179.5	-171.1	58.3	-143	0	0	110.3	P234 H287	P234-E236 VanDerWaalsContact C-N 3.3Å; P234-E236 PolarHBondContact O-N 3.41Å; E236-H287 PolarHBondContact O-CD2 3.31Å
237	I	95.9	Very high	96.1	Very high	9 Å²	9	43.2 Å²	43.2	5%	0.046	24%	0.235	C	C	.	.			trans	-152.3	142	-178.6	-164	171.6	0	0	0	109.4	P209 A229 F232 A235 L239 K267 V285 Q286 H287	P209-I237 HydrophobicContact CB-CD1 3.97Å; P209-I237 HydrophobicContact CG-CD1 4.02Å; A229-I237 HydrophobicContact CB-CD1 3.69Å; F232-I237 HydrophobicContact CD1-CD1 3.89Å; F232-I237 HydrophobicContact CD2-CB 4.27Å; F232-I237 HydrophobicContact CD2-CD1 4Å; F232-I237 HydrophobicContact CE1-CD1 3.79Å; F232-I237 HydrophobicContact CE1-CG2 4.44Å; F232-I237 HydrophobicContact CE2-CB 3.75Å; F232-I237 HydrophobicContact CE2-CD1 3.93Å; F232-I237 HydrophobicContact CE2-CG1 4.43Å; F232-I237 HydrophobicContact CE2-CG2 3.56Å; F232-I237 HydrophobicContact CG-CD1 4Å; F232-I237 HydrophobicContact CZ-CB 4.14Å; F232-I237 HydrophobicContact CZ-CD1 3.85Å; F232-I237 HydrophobicContact CZ-CG2 3.54Å; A235-I237 PolarHBondContact O-N 2.86Å; I237-L239 HydrophobicContact CB-CD1 4.48Å; I237-L239 HydrophobicContact CD1-CD1 3.66Å; I237-L239 HydrophobicContact CG1-CD1 3.65Å; I237-L239 HydrophobicContact CG2-CD1 4.12Å; I237-K267 HydrophobicContact CG2-CB 4.24Å; I237-K267 HydrophobicContact CG2-CD 3.6Å; I237-V285 HydrophobicContact CD1-CG1 4Å; I237-V285 HydrophobicContact CG1-CG1 4.33Å; I237-Q286 VanDerWaalsContact CG1-O 3.3Å; I237-Q286 WeakPolarHBondContact CG1-O 3.5Å; I237-H287 HydrophobicContact CD1-CB 4.32Å; I237-H287 HydrophobicContact CG1-CB 4.09Å
238	T	96.9	Very high	95.9	Very high	51 Å²	51	44.4 Å²	44.4	31%	0.313	24%	0.241	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-113.9	122.7	174.4	-62.1	0	0	0	0	110.2	T240 V285 Q286	T238-T240 HydrophobicContact CG2-CG2 4.01Å; T238-V285 WeakPolarHBondContact O-CA 3.43Å; T238-Q286 PolarHBondContact N-O 3.15Å; T238-Q286 PolarHBondContact O-N 2.94Å
239	L	97.2	Very high	95.4	Very high	7 Å²	7	47.3 Å²	47.3	4%	0.037	26%	0.264	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-116.4	124.1	172.6	-86.9	62.1	0	0	0	108.3	A229 I237 L254 K267 A269 H284 V285	A229-L239 HydrophobicContact CB-CD1 4.06Å; A229-L239 HydrophobicContact CB-CD2 4.19Å; I237-L239 HydrophobicContact CB-CD1 4.48Å; I237-L239 HydrophobicContact CD1-CD1 3.66Å; I237-L239 HydrophobicContact CG1-CD1 3.65Å; I237-L239 HydrophobicContact CG2-CD1 4.12Å; L239-L254 HydrophobicContact CB-CD1 4.12Å; L239-K267 HydrophobicContact CD1-CD 4.28Å; L239-K267 HydrophobicContact CD2-CB 4.35Å; L239-K267 HydrophobicContact CD2-CG 4.39Å; L239-A269 HydrophobicContact CB-CB 4.06Å; L239-A269 HydrophobicContact CD2-CB 4.3Å; L239-H284 WeakPolarHBondContact CA-O 3.19Å; L239-V285 HydrophobicContact CD1-CG1 4.08Å; L239-V285 HydrophobicContact CD1-CG2 4.49Å; L239-V285 HydrophobicContact CG-CG2 4.28Å
240	T	96.6	Very high	94.9	Very high	42 Å²	42	56.4 Å²	56.4	26%	0.258	31%	0.307	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-134.7	146.6	179.4	47.3	0	0	0	0	110.9	T238 C283 H284	T238-T240 HydrophobicContact CG2-CG2 4.01Å; T240-C283 CarbonylContact O-C 3.56Å; T240-C283 WeakPolarHBondContact O-CA 3.46Å; T240-H284 PolarHBondContact N-O 3.45Å; T240-H284 PolarHBondContact O-N 3.27Å; T240-H284 WeakPolarHBondContact OG1-CB 3.23Å
241	W	97.3	Very high	94.4	Very high	2 Å²	2	59 Å²	59	1%	0.008	32%	0.321	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-105.4	137.4	171.7	-81.7	103.3	0	0	0	110.2	M213 L225 C227 Q248 A269 V271 T282 C283	M213-W241 HydrophobicContact CE-CH2 3.1Å; M213-W241 HydrophobicContact CE-CZ2 4.11Å; M213-W241 HydrophobicContact CE-CZ3 3.41Å; M213-W241 VanDerWaalsContact CE-CZ3 3.41Å; L225-W241 HydrophobicContact CB-CH2 3.53Å; L225-W241 HydrophobicContact CB-CZ2 3.9Å; L225-W241 HydrophobicContact CB-CZ3 4.38Å; L225-W241 HydrophobicContact CD1-CH2 4.07Å; L225-W241 HydrophobicContact CD1-CZ3 4.23Å; L225-W241 HydrophobicContact CG-CH2 4.45Å; C227-W241 HydrophobicContact CB-CZ2 3.71Å; W241-Q248 HydrophobicContact CB-CB 4.2Å; W241-Q248 PolarHBondContact O-N 2.04Å; W241-A269 VanDerWaalsContact NE1-C 3.31Å; W241-A269 PolarHBondContact NE1-O 3.17Å; W241-V271 HydrophobicContact CD2-CB 4.39Å; W241-V271 HydrophobicContact CD2-CG1 3.6Å; W241-V271 HydrophobicContact CE3-CG1 3.86Å; W241-V271 HydrophobicContact CG-CB 4.23Å; W241-V271 HydrophobicContact CG-CG1 3.94Å; W241-V271 HydrophobicContact CH2-CG1 4.26Å; W241-V271 HydrophobicContact CZ2-CG1 4.08Å; W241-V271 HydrophobicContact CZ3-CG1 4.19Å; W241-T282 WeakPolarHBondContact CA-O 3.44Å; W241-C283 HydrophobicContact CD2-CB 4.22Å; W241-C283 HydrophobicContact CE3-CB 4.16Å; W241-C283 HydrophobicContact CH2-CB 4.2Å; W241-C283 HydrophobicContact CZ2-CB 4.21Å; W241-C283 HydrophobicContact CZ3-CB 4.14Å
242	Q	97.1	Very high	94.2	Very high	42 Å²	42	59 Å²	59	20%	0.196	32%	0.316	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-124.1	144.8	172.3	-69	-174.5	-8.9	0	0	110.2	E246 D247 Y281 T282 H284	Q242-E246 CarbonylContact C-O 3.6Å; Q242-E246 VanDerWaalsContact CA-O 3.24Å; Q242-E246 WeakPolarHBondContact CA-O 3.37Å; Q242-D247 VanDerWaalsContact CG-OD1 3.23Å; Q242-D247 WeakPolarHBondContact CG-OD1 3.42Å; Q242-D247 PolarHBondContact NE2-OD1 3.14Å; Q242-Y281 CarbonylContact O-C 3.53Å; Q242-Y281 VanDerWaalsContact O-CA 3.27Å; Q242-Y281 WeakPolarHBondContact O-CA 3.4Å; Q242-T282 PolarHBondContact N-O 3.48Å; Q242-T282 PolarHBondContact O-N 2.88Å; Q242-H284 PolarHBondContact OE1-NE2 2.8Å
243	R	96.5	Very high	94.1	Very high	69 Å²	69	64.3 Å²	64.3	26%	0.26	34%	0.341	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-116.4	117	168.4	-176.3	-172.8	-176.3	179.1	-0.1	108	G245 E246 Q248 E277 R280 Y281	R243-G245 PolarHBondContact O-N 3.12Å; R243-E246 PolarHBondContact N-O 2.85Å; R243-E246 PolarHBondContact O-N 3.45Å; R243-Q248 HydrophobicContact CB-CG 3.97Å; R243-E277 IonicContact CZ-OE2 3.76Å; R243-E277 IonicContact NE-OE2 3.79Å; R243-E277 IonicContact NH2-OE1 3.64Å; R243-E277 IonicContact NH2-OE2 3.59Å; R243-E277 PolarHBondContact NH2-OE2 3.1Å; R243-R280 WeakPolarHBondContact CA-O 3.39Å; R243-R280 HydrophobicContact CG-CB 4.35Å; R243-Y281 HydrophobicContact CB-CD1 4.11Å; R243-Y281 HydrophobicContact CB-CE1 3.92Å; R243-Y281 HydrophobicContact CG-CD1 4.46Å; R243-Y281 HydrophobicContact CG-CD2 4.47Å; R243-Y281 HydrophobicContact CG-CE1 4.1Å; R243-Y281 HydrophobicContact CG-CE2 4.09Å
244	D	94.1	Very high	94.2	Very high	101 Å²	101	68.4 Å²	68.4	54%	0.54	36%	0.362	S	S	.	.	T	Hydrogen-bonded Turn	trans	50.2	29.1	-174.8	-54.2	-50	0	0	0	114.5	R280	D244-R280 PolarHBondContact N-O 2.97Å; D244-R280 IonicContact OD1-NE 2.77Å; D244-R280 PolarHBondContact OD1-NE 2.79Å; D244-R280 IonicContact OD2-CZ 3.76Å; D244-R280 IonicContact OD2-NE 3.85Å; D244-R280 PolarHBondContact OD2-NE 2.95Å; D244-R280 IonicContact OD2-NH2 3.5Å; D244-R280 PolarHBondContact OD2-NH2 3.1Å
245	G	90.4	Very high	94.3	Very high	50 Å²	50	69.1 Å²	69.1	52%	0.515	37%	0.366	S	S	.	.	T	Hydrogen-bonded Turn	trans	91.4	-0.9	-177.8	0	0	0	0	0	115.5	R243	R243-G245 PolarHBondContact O-N 3.12Å
246	E	94.8	Very high	94.3	Very high	145 Å²	145	76.6 Å²	76.6	68%	0.678	40%	0.399	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-97.1	127.9	175.3	-63.4	-173.2	171.6	0	0	111.8	Q242 R243 Q248	Q242-E246 CarbonylContact C-O 3.6Å; Q242-E246 VanDerWaalsContact CA-O 3.24Å; Q242-E246 WeakPolarHBondContact CA-O 3.37Å; R243-E246 PolarHBondContact N-O 2.85Å; R243-E246 PolarHBondContact O-N 3.45Å; E246-Q248 PolarHBondContact O-NE2 3.14Å
247	D	94.5	Very high	94.4	Very high	98 Å²	98	72.6 Å²	72.6	52%	0.524	38%	0.383	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-62.8	134.2	-178.9	-68.8	-24.2	0	0	0	112.3	Q242	Q242-D247 VanDerWaalsContact CG-OD1 3.23Å; Q242-D247 WeakPolarHBondContact CG-OD1 3.42Å; Q242-D247 PolarHBondContact NE2-OD1 3.14Å
248	Q	94.1	Very high	94.5	Very high	26 Å²	26	77 Å²	77	12%	0.121	40%	0.399	C	S	.	.			trans	-105.7	37.8	-176.9	-57.7	-61.3	-70.2	0	0	112.3	W241 R243 E246 Q250 D251 T252 Y281	W241-Q248 HydrophobicContact CB-CB 4.2Å; W241-Q248 PolarHBondContact O-N 2.04Å; R243-Q248 HydrophobicContact CB-CG 3.97Å; E246-Q248 PolarHBondContact O-NE2 3.14Å; Q248-Q250 VanDerWaalsContact C-N 3.31Å; Q248-Q250 PolarHBondContact O-N 2.85Å; Q248-D251 PolarHBondContact O-N 3.12Å; Q248-T252 WeakPolarHBondContact O-CB 3.48Å; Q248-T252 PolarHBondContact O-N 2.8Å; Q248-T252 VanDerWaalsContact O-N 3.08Å; Q248-T252 PolarHBondContact O-OG1 3.25Å; Q248-Y281 HydrophobicContact CG-CE1 4.42Å
249	T	88.1	Confident	94.5	Very high	107 Å²	107	79.1 Å²	79.1	66%	0.656	41%	0.414	S	S	*	.	T	Hydrogen-bonded Turn	trans	-58.5	-36.6	-168.7	-48	0	0	0	0	114.1
250	Q	87.9	Confident	94.4	Very high	191 Å²	191	81.1 Å²	81.1	89%	0.893	43%	0.432	S	S	*	.	T	Hydrogen-bonded Turn	trans	-75.8	-32.3	-178.4	-66.9	-174	0.1	0	0	113.1	Q248 T252	Q248-Q250 VanDerWaalsContact C-N 3.31Å; Q248-Q250 PolarHBondContact O-N 2.85Å; Q250-T252 VanDerWaalsContact C-N 3.33Å
251	D	86.5	Confident	94.2	Very high	111 Å²	111	82.9 Å²	82.9	59%	0.594	46%	0.458	S	S	*	.	T	Hydrogen-bonded Turn	trans	-92.9	0.6	-178	-56.1	-53	0	0	0	112.5	Q248	Q248-D251 PolarHBondContact O-N 3.12Å
252	T	93.9	Very high	93.9	Very high	24 Å²	24	88.1 Å²	88.1	15%	0.147	49%	0.486	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-94.1	120.6	179.5	-64.5	0	0	0	0	110.7	Q248 Q250 L254 A269 A270	Q248-T252 WeakPolarHBondContact O-CB 3.48Å; Q248-T252 PolarHBondContact O-N 2.8Å; Q248-T252 VanDerWaalsContact O-N 3.08Å; Q248-T252 PolarHBondContact O-OG1 3.25Å; Q250-T252 VanDerWaalsContact C-N 3.33Å; T252-L254 HydrophobicContact CG2-CB 4.33Å; T252-L254 PolarHBondContact O-N 3.37Å; T252-A269 HydrophobicContact CG2-CB 3.98Å; T252-A270 CarbonylContact C-O 3.56Å; T252-A270 VanDerWaalsContact CA-O 3.32Å; T252-A270 WeakPolarHBondContact CA-O 3.43Å
253	E	96.1	Very high	93.6	Very high	112 Å²	112	87.9 Å²	87.9	52%	0.523	50%	0.495	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-76.7	106.2	163	-173.7	-174	-169.9	0	0	108.9	W268 A269 A270	E253-W268 HydrophobicContact CB-CZ3 4.25Å; E253-W268 HydrophobicContact CG-CH2 3.9Å; E253-W268 HydrophobicContact CG-CZ3 3.84Å; E253-W268 WeakPolarHBondContact OE1-CH2 3.05Å; E253-W268 WeakPolarHBondContact OE2-CH2 3.48Å; E253-A269 CarbonylContact O-C 3.55Å; E253-A269 WeakPolarHBondContact O-CA 3.05Å; E253-A270 HydrophobicContact CB-CB 4.38Å; E253-A270 PolarHBondContact N-O 2.96Å; E253-A270 PolarHBondContact O-N 3.39Å
254	L	96.2	Very high	93.6	Very high	88 Å²	88	85.3 Å²	85.3	46%	0.461	49%	0.487	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-112	119	178.4	-174.7	68	0	0	0	110.1	L239 T252 K267 A269	L239-L254 HydrophobicContact CB-CD1 4.12Å; T252-L254 HydrophobicContact CG2-CB 4.33Å; T252-L254 PolarHBondContact O-N 3.37Å; L254-K267 HydrophobicContact CD1-CD 4.47Å; L254-A269 HydrophobicContact CD1-CB 3.64Å
255	V	96.2	Very high	93.8	Very high	34 Å²	34	81.8 Å²	81.8	21%	0.206	47%	0.467	C	S	.	.	P	Polyproline II helix	trans	-83.5	153.3	174.9	-64.6	0	0	0	0	112.3	K267 W268	V255-K267 HydrophobicContact CG2-CG 4.43Å; V255-K267 VanDerWaalsContact O-CE 3.3Å; V255-K267 WeakPolarHBondContact O-CE 3.2Å; V255-K267 WeakPolarHBondContact O-CG 3.2Å; V255-K267 PolarHBondContact O-NZ 2.9Å; V255-W268 HydrophobicContact CB-CZ2 4.4Å; V255-W268 HydrophobicContact CG1-CD2 3.99Å; V255-W268 HydrophobicContact CG1-CE3 4.31Å; V255-W268 HydrophobicContact CG1-CH2 3.58Å; V255-W268 HydrophobicContact CG1-CZ2 3.18Å; V255-W268 HydrophobicContact CG1-CZ3 4.11Å; V255-W268 HydrophobicContact CG2-CD2 3.76Å; V255-W268 HydrophobicContact CG2-CE3 4.49Å; V255-W268 HydrophobicContact CG2-CG 3.75Å; V255-W268 HydrophobicContact CG2-CZ2 4.39Å; V255-W268 WeakPolarHBondContact CG2-O 3.5Å; V255-W268 PolarHBondContact N-O 3.47Å
256	E	96	Very high	94.1	Very high	170 Å²	170	81.4 Å²	81.4	79%	0.794	45%	0.452	S	S	*	.	P	Polyproline II helix	trans	-57.7	149.1	167.7	-67.9	-175.4	175.9	0	0	111.3	R258	E256-R258 PolarHBondContact O-N 3.23Å
257	T	97.3	Very high	94.3	Very high	46 Å²	46	75.6 Å²	75.6	28%	0.282	42%	0.424	S	S	.	.	P	Polyproline II helix	trans	-68.7	129.8	174.4	-56.5	0	0	0	0	108.4	F232 A235 F265 K267	F232-T257 HydrophobicContact CE2-CG2 4.08Å; F232-T257 HydrophobicContact CZ-CG2 3.94Å; A235-T257 HydrophobicContact CB-CG2 4.27Å; A235-T257 WeakPolarHBondContact O-CG2 3.37Å; T257-F265 HydrophobicContact CG2-CB 3.8Å; T257-F265 HydrophobicContact CG2-CD1 3.93Å; T257-F265 HydrophobicContact CG2-CG 4.14Å; T257-K267 WeakPolarHBondContact OG1-CD 3.42Å; T257-K267 PolarHBondContact OG1-NZ 3.16Å; T257-K267 VanDerWaalsContact OG1-NZ 3.16Å
258	R	96.7	Very high	94.5	Very high	100 Å²	100	72.1 Å²	72.1	38%	0.377	40%	0.404	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-126.5	145.1	-174.6	67.9	-168.5	-179.4	-178.8	4.5	111.5	E256 F265 Q266	E256-R258 PolarHBondContact O-N 3.23Å; R258-F265 WeakPolarHBondContact O-CA 3.4Å; R258-Q266 HydrophobicContact CG-CG 3.58Å; R258-Q266 PolarHBondContact N-O 3.1Å; R258-Q266 WeakPolarHBondContact O-CG 3.5Å; R258-Q266 PolarHBondContact O-N 2.9Å
259	P	96.5	Very high	94.7	Very high	96 Å²	96	70.9 Å²	70.9	62%	0.623	40%	0.398	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-68.8	144.7	178.1	28.6	-34.5	0	0	0	111.1	F265	P259-F265 HydrophobicContact CB-CD1 4.5Å; P259-F265 HydrophobicContact CB-CE1 4.26Å
260	A	95.9	Very high	95.1	Very high	50 Å²	50	65.9 Å²	65.9	41%	0.413	37%	0.368	S	S	.	.			trans	-88.4	-17.6	173.4	0	0	0	0	0	113	T264	A260-T264 PolarHBondContact N-O 3.18Å
261	G	92.1	Very high	95.6	Very high	78 Å²	78	57 Å²	57	80%	0.804	33%	0.326	S	S	*	.	S	Bend	trans	97.7	-8.5	178.9	0	0	0	0	0	115
262	D	91.8	Very high	96.1	Very high	112 Å²	112	55 Å²	55	60%	0.599	32%	0.318	S	S	*	.	S	Bend	trans	-104.3	13.1	176.4	61.5	-0.2	0	0	0	113.1	T264	D262-T264 WeakPolarHBondContact OD1-CB 3.43Å; D262-T264 PolarHBondContact OD1-N 2.86Å; D262-T264 PolarHBondContact OD1-OG1 3.45Å
263	G	90.5	Very high	96.1	Very high	37 Å²	37	53.9 Å²	53.9	38%	0.381	31%	0.311	S	S	.	.	S	Bend	trans	85.4	5	-173.8	0	0	0	0	0	114.4	Y233	Y233-G263 WeakPolarHBondContact CD2-O 3.35Å
264	T	96.1	Very high	96.1	Very high	16 Å²	16	50.6 Å²	50.6	10%	0.098	30%	0.3	C	S	.	.			trans	-108.1	172.6	171.8	73.8	0	0	0	0	112.3	F232 A260 D262	F232-T264 WeakPolarHBondContact O-CA 3.47Å; A260-T264 PolarHBondContact N-O 3.18Å; D262-T264 WeakPolarHBondContact OD1-CB 3.43Å; D262-T264 PolarHBondContact OD1-N 2.86Å; D262-T264 PolarHBondContact OD1-OG1 3.45Å
265	F	97.7	Very high	95.9	Very high	26 Å²	26	49 Å²	49	11%	0.114	30%	0.296	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-120.6	162.5	-177.7	-63.8	-86	0	0	0	112.4	D54 G231 F232 Y233 A235 T257 R258 P259	D54-F265 HydrophobicContact CB-CE2 3.78Å; D54-F265 HydrophobicContact CB-CZ 3.64Å; G231-F265 PolarHBondContact N-O 3.34Å; F232-F265 VanDerWaalsContact CD1-O 3.32Å; F232-F265 WeakPolarHBondContact CD1-O 3.17Å; F232-F265 HydrophobicContact CD2-CB 3.92Å; F232-F265 HydrophobicContact CE1-CB 4.3Å; F232-F265 WeakPolarHBondContact CE1-O 3.04Å; F232-F265 HydrophobicContact CE2-CB 3.46Å; F232-F265 VanDerWaalsContact CE2-CB 3.46Å; F232-F265 HydrophobicContact CE2-CG 4.48Å; F232-F265 HydrophobicContact CG-CB 4.49Å; F232-F265 HydrophobicContact CZ-CB 3.66Å; F232-F265 PolarHBondContact N-O 3.08Å; F232-F265 PolarHBondContact O-N 3.19Å; Y233-F265 HydrophobicContact CD2-CD2 4.37Å; Y233-F265 AromaticContact CD2-CE2 3.93Å; Y233-F265 HydrophobicContact CD2-CE2 3.93Å; Y233-F265 HydrophobicContact CE2-CE2 4.34Å; A235-F265 HydrophobicContact CB-CD1 3.71Å; A235-F265 HydrophobicContact CB-CD2 3.68Å; A235-F265 HydrophobicContact CB-CE1 3.71Å; A235-F265 HydrophobicContact CB-CE2 3.69Å; A235-F265 HydrophobicContact CB-CG 3.71Å; A235-F265 HydrophobicContact CB-CZ 3.73Å; T257-F265 HydrophobicContact CG2-CB 3.8Å; T257-F265 HydrophobicContact CG2-CD1 3.93Å; T257-F265 HydrophobicContact CG2-CG 4.14Å; R258-F265 WeakPolarHBondContact O-CA 3.4Å; P259-F265 HydrophobicContact CB-CD1 4.5Å; P259-F265 HydrophobicContact CB-CE1 4.26Å
266	Q	98.1	Very high	95.6	Very high	43 Å²	43	50.6 Å²	50.6	20%	0.201	32%	0.319	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-140.8	146.3	174.3	44.8	167.9	-23.6	0	0	110.2	A229 L230 R258	A229-Q266 VanDerWaalsContact O-CA 3.31Å; A229-Q266 WeakPolarHBondContact O-CA 3.19Å; L230-Q266 HydrophobicContact CD2-CB 3.52Å; R258-Q266 HydrophobicContact CG-CG 3.58Å; R258-Q266 PolarHBondContact N-O 3.1Å; R258-Q266 WeakPolarHBondContact O-CG 3.5Å; R258-Q266 PolarHBondContact O-N 2.9Å
267	K	98.4	Very high	95.5	Very high	22 Å²	22	45.1 Å²	45.1	10%	0.096	29%	0.293	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-151.3	153.8	176.8	-162.3	-176.2	-171.5	70	0	109	A229 F232 I237 L239 L254 V255 T257	A229-K267 PolarHBondContact N-O 2.99Å; A229-K267 PolarHBondContact O-N 3.47Å; A229-K267 VanDerWaalsContact O-O 3.07Å; F232-K267 HydrophobicContact CE1-CB 4.38Å; F232-K267 HydrophobicContact CZ-CB 4.1Å; I237-K267 HydrophobicContact CG2-CB 4.24Å; I237-K267 HydrophobicContact CG2-CD 3.6Å; L239-K267 HydrophobicContact CD1-CD 4.28Å; L239-K267 HydrophobicContact CD2-CB 4.35Å; L239-K267 HydrophobicContact CD2-CG 4.39Å; L254-K267 HydrophobicContact CD1-CD 4.47Å; V255-K267 HydrophobicContact CG2-CG 4.43Å; V255-K267 VanDerWaalsContact O-CE 3.3Å; V255-K267 WeakPolarHBondContact O-CE 3.2Å; V255-K267 WeakPolarHBondContact O-CG 3.2Å; V255-K267 PolarHBondContact O-NZ 2.9Å; T257-K267 WeakPolarHBondContact OG1-CD 3.42Å; T257-K267 PolarHBondContact OG1-NZ 3.16Å; T257-K267 VanDerWaalsContact OG1-NZ 3.16Å
268	W	98.1	Very high	95.3	Very high	26 Å²	26	43.8 Å²	43.8	10%	0.098	28%	0.284	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-143.2	157.2	169.6	59	-98.5	0	0	0	111.3	R226 C227 W228 E253 V255 A270	R226-W268 HydrophobicContact CG-CB 4.05Å; R226-W268 HydrophobicContact CG-CD2 4.13Å; R226-W268 HydrophobicContact CG-CE3 3.85Å; R226-W268 HydrophobicContact CG-CG 4.27Å; C227-W268 CarbonylContact O-C 3.53Å; C227-W268 WeakPolarHBondContact O-CA 3.35Å; C227-W268 VanDerWaalsContact O-CB 3.24Å; C227-W268 WeakPolarHBondContact O-CB 3.15Å; W228-W268 HydrophobicContact CD2-CB 3.92Å; W228-W268 HydrophobicContact CD2-CG 4.41Å; W228-W268 HydrophobicContact CE3-CB 3.87Å; W228-W268 AromaticContact CE3-CD1 3.84Å; W228-W268 HydrophobicContact CE3-CG 4.15Å; W228-W268 HydrophobicContact CG-CB 4.33Å; W228-W268 AromaticContact CH2-CD1 3.61Å; W228-W268 HydrophobicContact CH2-CG 4.24Å; W228-W268 HydrophobicContact CZ2-CG 4.49Å; W228-W268 HydrophobicContact CZ3-CB 4.3Å; W228-W268 AromaticContact CZ3-CD1 3.38Å; W228-W268 HydrophobicContact CZ3-CG 4.08Å; E253-W268 HydrophobicContact CB-CZ3 4.25Å; E253-W268 HydrophobicContact CG-CH2 3.9Å; E253-W268 HydrophobicContact CG-CZ3 3.84Å; E253-W268 WeakPolarHBondContact OE1-CH2 3.05Å; E253-W268 WeakPolarHBondContact OE2-CH2 3.48Å; V255-W268 HydrophobicContact CB-CZ2 4.4Å; V255-W268 HydrophobicContact CG1-CD2 3.99Å; V255-W268 HydrophobicContact CG1-CE3 4.31Å; V255-W268 HydrophobicContact CG1-CH2 3.58Å; V255-W268 HydrophobicContact CG1-CZ2 3.18Å; V255-W268 HydrophobicContact CG1-CZ3 4.11Å; V255-W268 HydrophobicContact CG2-CD2 3.76Å; V255-W268 HydrophobicContact CG2-CE3 4.49Å; V255-W268 HydrophobicContact CG2-CG 3.75Å; V255-W268 HydrophobicContact CG2-CZ2 4.39Å; V255-W268 WeakPolarHBondContact CG2-O 3.5Å; V255-W268 PolarHBondContact N-O 3.47Å; W268-A270 HydrophobicContact CE3-CB 3.98Å; W268-A270 HydrophobicContact CZ3-CB 3.67Å
269	A	97.9	Very high	95.1	Very high	0 Å²	0	43.6 Å²	43.6	0%	0	29%	0.287	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-130.5	132.8	174	0	0	0	0	0	108.5	R226 C227 L239 W241 T252 E253 L254	R226-A269 WeakPolarHBondContact CA-O 3.43Å; C227-A269 PolarHBondContact N-O 2.84Å; C227-A269 PolarHBondContact O-N 3.03Å; L239-A269 HydrophobicContact CB-CB 4.06Å; L239-A269 HydrophobicContact CD2-CB 4.3Å; W241-A269 VanDerWaalsContact NE1-C 3.31Å; W241-A269 PolarHBondContact NE1-O 3.17Å; T252-A269 HydrophobicContact CG2-CB 3.98Å; E253-A269 CarbonylContact O-C 3.55Å; E253-A269 WeakPolarHBondContact O-CA 3.05Å; L254-A269 HydrophobicContact CD1-CB 3.64Å
270	A	97.4	Very high	95	Very high	2 Å²	2	43.8 Å²	43.8	2%	0.017	28%	0.275	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-124.5	147.8	179.3	0	0	0	0	0	112.1	T224 L225 R226 T252 E253 W268	T224-A270 HydrophobicContact CG2-CB 3.85Å; L225-A270 CarbonylContact O-C 3.56Å; L225-A270 WeakPolarHBondContact O-CA 3.45Å; R226-A270 HydrophobicContact CB-CB 4.01Å; R226-A270 HydrophobicContact CG-CB 4.1Å; T252-A270 CarbonylContact C-O 3.56Å; T252-A270 VanDerWaalsContact CA-O 3.32Å; T252-A270 WeakPolarHBondContact CA-O 3.43Å; E253-A270 HydrophobicContact CB-CB 4.38Å; E253-A270 PolarHBondContact N-O 2.96Å; E253-A270 PolarHBondContact O-N 3.39Å; W268-A270 HydrophobicContact CE3-CB 3.98Å; W268-A270 HydrophobicContact CZ3-CB 3.67Å
271	V	97.4	Very high	95	Very high	3 Å²	3	41.7 Å²	41.7	2%	0.018	26%	0.257	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-137	142.5	175.7	63.1	0	0	0	0	108.9	T224 L225 W241 V273 Y281	T224-V271 WeakPolarHBondContact CA-O 3.45Å; L225-V271 HydrophobicContact CB-CG1 4.31Å; L225-V271 PolarHBondContact N-O 3.23Å; L225-V271 PolarHBondContact O-N 2.98Å; W241-V271 HydrophobicContact CD2-CB 4.39Å; W241-V271 HydrophobicContact CD2-CG1 3.6Å; W241-V271 HydrophobicContact CE3-CG1 3.86Å; W241-V271 HydrophobicContact CG-CB 4.23Å; W241-V271 HydrophobicContact CG-CG1 3.94Å; W241-V271 HydrophobicContact CH2-CG1 4.26Å; W241-V271 HydrophobicContact CZ2-CG1 4.08Å; W241-V271 HydrophobicContact CZ3-CG1 4.19Å; V271-V273 HydrophobicContact CG1-CG1 3.76Å; V271-V273 HydrophobicContact CG2-CG1 4.43Å; V271-Y281 HydrophobicContact CG1-CD1 4.01Å; V271-Y281 HydrophobicContact CG1-CE1 4.42Å; V271-Y281 HydrophobicContact CG2-CD1 4.39Å; V271-Y281 HydrophobicContact CG2-CE1 4.03Å
272	V	97	Very high	95.2	Very high	70 Å²	70	38.5 Å²	38.5	42%	0.424	22%	0.222	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-84.7	127.9	170.8	-179.5	0	0	0	0	108	I218 E222 A223	I218-V272 HydrophobicContact CD1-CG1 4.05Å; I218-V272 HydrophobicContact CD1-CG2 4.11Å; E222-V272 HydrophobicContact CB-CG1 4.1Å; E222-V272 HydrophobicContact CG-CG1 4.31Å; A223-V272 WeakPolarHBondContact O-CA 3.42Å
273	V	95.8	Very high	95.5	Very high	1 Å²	1	33.2 Å²	33.2	1%	0.006	19%	0.193	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-126.4	145.5	-176.4	-52.9	0	0	0	0	110.5	E222 A223 L225 V271 E278 Y281	E222-V273 WeakPolarHBondContact CA-O 3.4Å; A223-V273 HydrophobicContact CB-CG2 4.5Å; A223-V273 PolarHBondContact N-O 2.66Å; A223-V273 WeakPolarHBondContact O-CG2 3.33Å; A223-V273 PolarHBondContact O-N 3.03Å; L225-V273 HydrophobicContact CD1-CG1 3.98Å; L225-V273 HydrophobicContact CD1-CG2 3.98Å; L225-V273 HydrophobicContact CG-CG1 4.25Å; L225-V273 HydrophobicContact CG-CG2 3.85Å; V271-V273 HydrophobicContact CG1-CG1 3.76Å; V271-V273 HydrophobicContact CG2-CG1 4.43Å; V273-E278 HydrophobicContact CG2-CG 3.9Å; V273-Y281 HydrophobicContact CB-CD2 4.02Å; V273-Y281 HydrophobicContact CB-CE2 3.71Å; V273-Y281 HydrophobicContact CG1-CD1 3.69Å; V273-Y281 HydrophobicContact CG1-CD2 3.6Å; V273-Y281 HydrophobicContact CG1-CE1 3.63Å; V273-Y281 HydrophobicContact CG1-CE2 3.56Å; V273-Y281 HydrophobicContact CG1-CG 3.67Å
274	P	95.6	Very high	95.8	Very high	43 Å²	43	33 Å²	33	28%	0.279	18%	0.183	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-63.1	140.1	170.2	-20	32.2	0	0	0	111.4	H221 G276 E277	H221-P274 CarbonylContact O-C 3.59Å; H221-P274 WeakPolarHBondContact O-CA 3.46Å; P274-G276 PolarHBondContact O-N 2.98Å; P274-E277 HydrophobicContact CB-CB 4.27Å; P274-E277 HydrophobicContact CB-CG 4.11Å; P274-E277 WeakPolarHBondContact O-CB 3.37Å; P274-E277 PolarHBondContact O-N 3.1Å
275	S	91.2	Very high	95.9	Very high	55 Å²	55	32.3 Å²	32.3	39%	0.385	18%	0.178	S	C	.	.	T	Hydrogen-bonded Turn	trans	-55.5	126.8	175.2	-64	0	0	0	0	111	D220 H221 E222 E277 E278	D220-S275 WeakPolarHBondContact O-CB 3.49Å; D220-S275 PolarHBondContact O-OG 3.45Å; H221-S275 PolarHBondContact O-N 2.98Å; H221-S275 PolarHBondContact O-OG 2.89Å; E222-S275 PolarHBondContact N-OG 3.43Å; S275-E277 VanDerWaalsContact C-N 3.35Å; S275-E278 WeakPolarHBondContact CA-OE1 3.3Å
276	G	89.4	Confident	95.8	Very high	66 Å²	66	33.9 Å²	33.9	68%	0.68	19%	0.186	S	C	*	.	T	Hydrogen-bonded Turn	trans	88.7	-6.2	-178.7	0	0	0	0	0	114.9	P274 E278	P274-G276 PolarHBondContact O-N 2.98Å; G276-E278 WeakPolarHBondContact CA-OE2 3.5Å; G276-E278 VanDerWaalsContact N-CD 3.29Å; G276-E278 PolarHBondContact N-OE1 3.48Å; G276-E278 PolarHBondContact N-OE2 3.2Å
277	E	93.9	Very high	95.7	Very high	55 Å²	55	32.2 Å²	32.2	26%	0.257	18%	0.178	S	C	.	.			trans	-99.8	4.1	175.6	-66	-159.1	-151.3	0	0	113.6	R243 P274 S275 Q279 R280 Y281	R243-E277 IonicContact CZ-OE2 3.76Å; R243-E277 IonicContact NE-OE2 3.79Å; R243-E277 IonicContact NH2-OE1 3.64Å; R243-E277 IonicContact NH2-OE2 3.59Å; R243-E277 PolarHBondContact NH2-OE2 3.1Å; P274-E277 HydrophobicContact CB-CB 4.27Å; P274-E277 HydrophobicContact CB-CG 4.11Å; P274-E277 WeakPolarHBondContact O-CB 3.37Å; P274-E277 PolarHBondContact O-N 3.1Å; S275-E277 VanDerWaalsContact C-N 3.35Å; E277-Q279 PolarHBondContact O-N 2.9Å; E277-R280 WeakPolarHBondContact O-CB 3.35Å; E277-R280 PolarHBondContact O-N 3.13Å; E277-R280 IonicContact OE1-NH1 2.7Å; E277-R280 IonicContact OE2-CZ 3.08Å; E277-R280 IonicContact OE2-NE 3.47Å; E277-R280 IonicContact OE2-NH1 2.62Å; E277-R280 PolarHBondContact OE2-NH1 3.29Å; E277-Y281 HydrophobicContact CB-CE2 4.41Å; E277-Y281 WeakPolarHBondContact O-CD2 3.33Å
278	E	93.1	Very high	95.3	Very high	18 Å²	18	34.8 Å²	34.8	8%	0.084	19%	0.19	C	C	.	.	G	3₁₀ helix	trans	-57.3	-32.3	-171.6	-57.8	82.3	-178.4	0	0	112.8	H215 L225 V273 S275 G276 R280 Y281 W298	H215-E278 IonicContact NE2-OE1 3.8Å; L225-E278 HydrophobicContact CD1-CB 4.03Å; L225-E278 HydrophobicContact CD1-CG 4.38Å; L225-E278 HydrophobicContact CD2-CG 4.38Å; V273-E278 HydrophobicContact CG2-CG 3.9Å; S275-E278 WeakPolarHBondContact CA-OE1 3.3Å; G276-E278 WeakPolarHBondContact CA-OE2 3.5Å; G276-E278 VanDerWaalsContact N-CD 3.29Å; G276-E278 PolarHBondContact N-OE1 3.48Å; G276-E278 PolarHBondContact N-OE2 3.2Å; E278-R280 VanDerWaalsContact C-N 3.25Å; E278-R280 PolarHBondContact O-N 2.66Å; E278-Y281 PolarHBondContact O-N 3.25Å; E278-Y281 VanDerWaalsContact O-N 3.17Å; E278-W298 HydrophobicContact CB-CD2 4.24Å; E278-W298 HydrophobicContact CB-CE3 3.3Å; E278-W298 HydrophobicContact CB-CZ3 3.7Å; E278-W298 HydrophobicContact CG-CE3 3.65Å; E278-W298 HydrophobicContact CG-CZ3 3.61Å
279	Q	92.3	Very high	95.1	Very high	96 Å²	96	34.5 Å²	34.5	45%	0.449	20%	0.196	S	C	.	.	G	3₁₀ helix	trans	-69.6	-18.9	179.4	-64	-56.9	-44.4	0	0	114.1	E277 W298	E277-Q279 PolarHBondContact O-N 2.9Å; Q279-W298 PolarHBondContact NE2-O 2.72Å
280	R	95.1	Very high	94.9	Very high	100 Å²	100	35.7 Å²	35.7	38%	0.377	20%	0.202	S	C	.	.	G	3₁₀ helix	trans	-76	-16.5	174.8	-62.8	174.9	67.8	178.6	5.6	112	R243 D244 E277 E278	R243-R280 WeakPolarHBondContact CA-O 3.39Å; R243-R280 HydrophobicContact CG-CB 4.35Å; D244-R280 PolarHBondContact N-O 2.97Å; D244-R280 IonicContact OD1-NE 2.77Å; D244-R280 PolarHBondContact OD1-NE 2.79Å; D244-R280 IonicContact OD2-CZ 3.76Å; D244-R280 IonicContact OD2-NE 3.85Å; D244-R280 PolarHBondContact OD2-NE 2.95Å; D244-R280 IonicContact OD2-NH2 3.5Å; D244-R280 PolarHBondContact OD2-NH2 3.1Å; E277-R280 WeakPolarHBondContact O-CB 3.35Å; E277-R280 PolarHBondContact O-N 3.13Å; E277-R280 IonicContact OE1-NH1 2.7Å; E277-R280 IonicContact OE2-CZ 3.08Å; E277-R280 IonicContact OE2-NE 3.47Å; E277-R280 IonicContact OE2-NH1 2.62Å; E277-R280 PolarHBondContact OE2-NH1 3.29Å; E278-R280 VanDerWaalsContact C-N 3.25Å; E278-R280 PolarHBondContact O-N 2.66Å
281	Y	96	Very high	94.6	Very high	7 Å²	7	42 Å²	42	3%	0.027	24%	0.242	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-97.1	130.5	-177.3	-68.2	-100.5	0	0	0	111.5	Q242 R243 Q248 V271 V273 E277 E278	Q242-Y281 CarbonylContact O-C 3.53Å; Q242-Y281 VanDerWaalsContact O-CA 3.27Å; Q242-Y281 WeakPolarHBondContact O-CA 3.4Å; R243-Y281 HydrophobicContact CB-CD1 4.11Å; R243-Y281 HydrophobicContact CB-CE1 3.92Å; R243-Y281 HydrophobicContact CG-CD1 4.46Å; R243-Y281 HydrophobicContact CG-CD2 4.47Å; R243-Y281 HydrophobicContact CG-CE1 4.1Å; R243-Y281 HydrophobicContact CG-CE2 4.09Å; Q248-Y281 HydrophobicContact CG-CE1 4.42Å; V271-Y281 HydrophobicContact CG1-CD1 4.01Å; V271-Y281 HydrophobicContact CG1-CE1 4.42Å; V271-Y281 HydrophobicContact CG2-CD1 4.39Å; V271-Y281 HydrophobicContact CG2-CE1 4.03Å; V273-Y281 HydrophobicContact CB-CD2 4.02Å; V273-Y281 HydrophobicContact CB-CE2 3.71Å; V273-Y281 HydrophobicContact CG1-CD1 3.69Å; V273-Y281 HydrophobicContact CG1-CD2 3.6Å; V273-Y281 HydrophobicContact CG1-CE1 3.63Å; V273-Y281 HydrophobicContact CG1-CE2 3.56Å; V273-Y281 HydrophobicContact CG1-CG 3.67Å; E277-Y281 HydrophobicContact CB-CE2 4.41Å; E277-Y281 WeakPolarHBondContact O-CD2 3.33Å; E278-Y281 PolarHBondContact O-N 3.25Å; E278-Y281 VanDerWaalsContact O-N 3.17Å
282	T	96.9	Very high	94.4	Very high	11 Å²	11	49.1 Å²	49.1	7%	0.067	27%	0.273	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-123.3	134.5	175.4	45.1	0	0	0	0	110.6	W241 Q242 H284 T295 L296 R297	W241-T282 WeakPolarHBondContact CA-O 3.44Å; Q242-T282 PolarHBondContact N-O 3.48Å; Q242-T282 PolarHBondContact O-N 2.88Å; T282-H284 PolarHBondContact OG1-NE2 3.41Å; T282-T295 HydrophobicContact CG2-CG2 3.85Å; T282-L296 CarbonylContact C-O 3.6Å; T282-L296 WeakPolarHBondContact CA-O 3.07Å; T282-R297 HydrophobicContact CG2-CG 3.49Å; T282-R297 VanDerWaalsContact CG2-CG 3.49Å
283	C	97.3	Very high	94.3	Very high	0 Å²	0	49.4 Å²	49.4	0%	0	28%	0.277	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-95	128	168.4	174	0	0	0	0	109.6	M213 C227 T240 W241 T295 L296	M213-C283 HydrophobicContact CE-CB 4.03Å; C227-C283 HydrophobicContact CB-CB 3.51Å; C227-C283 WeakPolarHBondContact CB-SG 3.41Å; C227-C283 WeakPolarHBondContact SG-CB 3.2Å; C227-C283 CovalentContact SG-SG 2.03Å; C227-C283 PolarHBondContact SG-SG 3.16Å; T240-C283 CarbonylContact O-C 3.56Å; T240-C283 WeakPolarHBondContact O-CA 3.46Å; W241-C283 HydrophobicContact CD2-CB 4.22Å; W241-C283 HydrophobicContact CE3-CB 4.16Å; W241-C283 HydrophobicContact CH2-CB 4.2Å; W241-C283 HydrophobicContact CZ2-CB 4.21Å; W241-C283 HydrophobicContact CZ3-CB 4.14Å; C283-T295 CarbonylContact O-C 3.51Å; C283-T295 WeakPolarHBondContact O-CA 3.43Å; C283-L296 HydrophobicContact CB-CB 4.28Å; C283-L296 PolarHBondContact N-O 2.91Å; C283-L296 PolarHBondContact O-N 3.01Å
284	H	97	Very high	94.3	Very high	34 Å²	34	52 Å²	52	16%	0.157	29%	0.29	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-108.5	128.1	177.4	-64.3	-111	0	0	0	109.7	L239 T240 Q242 T282 L294 T295	L239-H284 WeakPolarHBondContact CA-O 3.19Å; T240-H284 PolarHBondContact N-O 3.45Å; T240-H284 PolarHBondContact O-N 3.27Å; T240-H284 WeakPolarHBondContact OG1-CB 3.23Å; Q242-H284 PolarHBondContact OE1-NE2 2.8Å; T282-H284 PolarHBondContact OG1-NE2 3.41Å; H284-L294 CarbonylContact C-O 3.59Å; H284-L294 WeakPolarHBondContact CA-O 3.43Å; H284-T295 PolarHBondContact CE1-OG1 2.92Å; H284-T295 PolarHBondContact ND1-OG1 2.85Å
285	V	97.4	Very high	94.3	Very high	0 Å²	0	53.8 Å²	53.8	0%	0	30%	0.3	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-121.5	122.3	-177.9	-175.5	0	0	0	0	109.2	P209 T211 I237 T238 L239 L290 P293 L294 L296	P209-V285 HydrophobicContact CG-CG1 3.93Å; T211-V285 HydrophobicContact CG2-CB 4.43Å; T211-V285 HydrophobicContact CG2-CG1 4.18Å; T211-V285 HydrophobicContact CG2-CG2 4.04Å; I237-V285 HydrophobicContact CD1-CG1 4Å; I237-V285 HydrophobicContact CG1-CG1 4.33Å; T238-V285 WeakPolarHBondContact O-CA 3.43Å; L239-V285 HydrophobicContact CD1-CG1 4.08Å; L239-V285 HydrophobicContact CD1-CG2 4.49Å; L239-V285 HydrophobicContact CG-CG2 4.28Å; V285-L290 HydrophobicContact CG1-CD1 4.2Å; V285-P293 WeakPolarHBondContact O-CA 3.3Å; V285-L294 HydrophobicContact CB-CB 4.34Å; V285-L294 PolarHBondContact N-O 2.96Å; V285-L294 PolarHBondContact O-N 3.38Å; V285-L296 HydrophobicContact CG2-CD1 3.73Å
286	Q	96.8	Very high	94.4	Very high	60 Å²	60	52.7 Å²	52.7	28%	0.28	29%	0.29	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-118.1	127.8	175	-53.6	-179.8	14.6	0	0	109.1	W23 I237 T238 P293	W23-Q286 HydrophobicContact CZ2-CB 4.34Å; I237-Q286 VanDerWaalsContact CG1-O 3.3Å; I237-Q286 WeakPolarHBondContact CG1-O 3.5Å; T238-Q286 PolarHBondContact N-O 3.15Å; T238-Q286 PolarHBondContact O-N 2.94Å; Q286-P293 HydrophobicContact CG-CB 4.09Å; Q286-P293 HydrophobicContact CG-CG 4.18Å
287	H	95.3	Very high	94.6	Very high	8 Å²	8	57 Å²	57	4%	0.037	29%	0.286	C	S	.	.			trans	-155.6	152.7	-178.6	-172.8	-96.5	0	0	0	109.4	D207 P209 F232 Y233 P234 E236 I237 G289 L290	D207-H287 PolarHBondContact O-CE1 3.23Å; D207-H287 VanDerWaalsContact O-CE1 3.29Å; P209-H287 HydrophobicContact CG-CB 3.96Å; F232-H287 AromaticContact CD2-CD2 3.86Å; F232-H287 AromaticContact CD2-NE2 3.74Å; Y233-H287 PolarHBondContact O-CE1 3.42Å; Y233-H287 VanDerWaalsContact O-CE1 3.23Å; P234-H287 PolarHBondContact O-NE2 2.97Å; E236-H287 PolarHBondContact O-CD2 3.31Å; I237-H287 HydrophobicContact CD1-CB 4.32Å; I237-H287 HydrophobicContact CG1-CB 4.09Å; H287-G289 PolarHBondContact ND1-N 3.19Å; H287-G289 PolarHBondContact O-N 3.31Å; H287-L290 HydrophobicContact CB-CD1 3.92Å; H287-L290 HydrophobicContact CB-CG 4.11Å; H287-L290 WeakPolarHBondContact O-CB 3.42Å; H287-L290 PolarHBondContact O-N 3.08Å; H287-L290 VanDerWaalsContact O-N 3.08Å
288	E	91.4	Very high	94.3	Very high	76 Å²	76	56.3 Å²	56.3	36%	0.355	28%	0.281	S	S	.	.	T	Hydrogen-bonded Turn	trans	-65.8	-34.2	-173.3	-164.4	176.9	157.3	0	0	110.9	W23 T206 L290	W23-E288 HydrophobicContact CE3-CB 3.33Å; W23-E288 HydrophobicContact CE3-CG 3.83Å; W23-E288 VanDerWaalsContact CE3-N 3.31Å; W23-E288 VanDerWaalsContact CZ3-CA 3.42Å; W23-E288 HydrophobicContact CZ3-CB 3.55Å; T206-E288 HydrophobicContact CG2-CB 3.67Å; T206-E288 HydrophobicContact CG2-CG 4.03Å; E288-L290 PolarHBondContact O-N 3.47Å
289	G	92	Very high	93.7	Very high	20 Å²	20	63.3 Å²	63.3	21%	0.206	31%	0.314	C	S	.	.	T	Hydrogen-bonded Turn	trans	-73.6	-9.4	-179.3	0	0	0	0	0	112.8	H287	H287-G289 PolarHBondContact ND1-N 3.19Å; H287-G289 PolarHBondContact O-N 3.31Å
290	L	94.1	Very high	92.3	Very high	25 Å²	25	64.8 Å²	64.8	13%	0.131	32%	0.324	C	S	.	.			trans	-93.2	123	178.5	-64.3	172	0	0	0	110.1	P208 P209 V285 H287 E288 K292 L294	P208-L290 HydrophobicContact CB-CD2 3.9Å; P208-L290 HydrophobicContact CB-CG 4.48Å; P209-L290 HydrophobicContact CG-CD1 3.86Å; P209-L290 HydrophobicContact CG-CD2 4.41Å; P209-L290 HydrophobicContact CG-CG 4.2Å; V285-L290 HydrophobicContact CG1-CD1 4.2Å; H287-L290 HydrophobicContact CB-CD1 3.92Å; H287-L290 HydrophobicContact CB-CG 4.11Å; H287-L290 WeakPolarHBondContact O-CB 3.42Å; H287-L290 PolarHBondContact O-N 3.08Å; H287-L290 VanDerWaalsContact O-N 3.08Å; E288-L290 PolarHBondContact O-N 3.47Å; L290-K292 WeakPolarHBondContact CB-O 3.16Å; L290-K292 PolarHBondContact O-N 2.89Å; L290-K292 VanDerWaalsContact O-N 3.12Å; L290-L294 HydrophobicContact CD1-CD1 3.95Å; L290-L294 HydrophobicContact CD1-CG 3.85Å; L290-L294 HydrophobicContact CD2-CD1 3.65Å; L290-L294 HydrophobicContact CD2-CG 3.92Å; L290-L294 HydrophobicContact CG-CD1 4.47Å; L290-L294 HydrophobicContact CG-CG 4.47Å
291	P	92.4	Very high	90.2	Very high	133 Å²	133	65 Å²	65	86%	0.864	34%	0.341	S	S	*	.	S	Bend	trans	-64.8	-20.5	177	27.1	-35.1	0	0	0	112.7
292	K	92.5	Very high	87.6	Confident	153 Å²	153	69.5 Å²	69.5	67%	0.665	37%	0.373	S	S	*	.	S	Bend	trans	-151	150.2	172	60.7	-178.3	-179.8	178.4	0	109.2	L290 L294	L290-K292 WeakPolarHBondContact CB-O 3.16Å; L290-K292 PolarHBondContact O-N 2.89Å; L290-K292 VanDerWaalsContact O-N 3.12Å; K292-L294 PolarHBondContact O-N 3.17Å
293	P	94.6	Very high	84.9	Confident	77 Å²	77	76.9 Å²	76.9	50%	0.5	41%	0.407	S	S	.	.			trans	-50.8	140.1	172.2	-28.5	36.4	0	0	0	112.1	V285 Q286	V285-P293 WeakPolarHBondContact O-CA 3.3Å; Q286-P293 HydrophobicContact CG-CB 4.09Å; Q286-P293 HydrophobicContact CG-CG 4.18Å
294	L	94.9	Very high	82.1	Confident	54 Å²	54	82.3 Å²	82.3	28%	0.283	44%	0.442	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-91.2	143.1	174.2	-64.5	177.7	0	0	0	109.9	T211 H284 V285 L290 K292	T211-L294 HydrophobicContact CG2-CD1 4.36Å; H284-L294 CarbonylContact C-O 3.59Å; H284-L294 WeakPolarHBondContact CA-O 3.43Å; V285-L294 HydrophobicContact CB-CB 4.34Å; V285-L294 PolarHBondContact N-O 2.96Å; V285-L294 PolarHBondContact O-N 3.38Å; L290-L294 HydrophobicContact CD1-CD1 3.95Å; L290-L294 HydrophobicContact CD1-CG 3.85Å; L290-L294 HydrophobicContact CD2-CD1 3.65Å; L290-L294 HydrophobicContact CD2-CG 3.92Å; L290-L294 HydrophobicContact CG-CD1 4.47Å; L290-L294 HydrophobicContact CG-CG 4.47Å; K292-L294 PolarHBondContact O-N 3.17Å
295	T	95.9	Very high	79.8	Confident	81 Å²	81	86.9 Å²	86.9	50%	0.497	47%	0.472	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-123.4	115.2	170.8	-57.5	0	0	0	0	107.9	T282 C283 H284	T282-T295 HydrophobicContact CG2-CG2 3.85Å; C283-T295 CarbonylContact O-C 3.51Å; C283-T295 WeakPolarHBondContact O-CA 3.43Å; H284-T295 PolarHBondContact CE1-OG1 2.92Å; H284-T295 PolarHBondContact ND1-OG1 2.85Å
296	L	94.3	Very high	77.8	Confident	33 Å²	33	92 Å²	92	17%	0.173	50%	0.499	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-104.5	137.2	-178.9	-62	132.1	0	0	0	109	T211 M213 T282 C283 V285	T211-L296 HydrophobicContact CG2-CD1 4.11Å; M213-L296 HydrophobicContact CE-CB 4.38Å; M213-L296 HydrophobicContact SD-CB 3.67Å; T282-L296 CarbonylContact C-O 3.6Å; T282-L296 WeakPolarHBondContact CA-O 3.07Å; C283-L296 HydrophobicContact CB-CB 4.28Å; C283-L296 PolarHBondContact N-O 2.91Å; C283-L296 PolarHBondContact O-N 3.01Å; V285-L296 HydrophobicContact CG2-CD1 3.73Å
297	R	92.6	Very high	75.9	Confident	156 Å²	156	93.5 Å²	93.5	59%	0.589	51%	0.513	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-117.2	150.4	166.5	-73.4	-176	178.2	161.1	-0.6	108.3	T282 E299	T282-R297 HydrophobicContact CG2-CG 3.49Å; T282-R297 VanDerWaalsContact CG2-CG 3.49Å; R297-E299 PolarHBondContact O-N 2.95Å
298	W	89.2	Confident	74.2	Confident	41 Å²	41	98.4 Å²	98.4	16%	0.155	54%	0.539	C	S	.	.			trans	-67.1	110.7	173.6	175.8	59.5	0	0	0	108.2	M213 H215 L225 E278 Q279 L300	M213-W298 HydrophobicContact CE-CB 4.5Å; M213-W298 HydrophobicContact SD-CB 4.4Å; M213-W298 PolarHBondContact SD-N 2.81Å; H215-W298 HydrophobicContact CB-CD2 4.44Å; H215-W298 HydrophobicContact CB-CZ2 3.95Å; H215-W298 AromaticContact CD2-CZ2 3.96Å; H215-W298 AromaticContact CG-CE2 3.8Å; H215-W298 AromaticContact CG-CZ2 3.66Å; H215-W298 AromaticContact ND1-CZ2 3.84Å; L225-W298 HydrophobicContact CD1-CB 4.4Å; L225-W298 HydrophobicContact CD2-CB 3.91Å; L225-W298 HydrophobicContact CD2-CD2 4.23Å; L225-W298 HydrophobicContact CD2-CG 3.83Å; E278-W298 HydrophobicContact CB-CD2 4.24Å; E278-W298 HydrophobicContact CB-CE3 3.3Å; E278-W298 HydrophobicContact CB-CZ3 3.7Å; E278-W298 HydrophobicContact CG-CE3 3.65Å; E278-W298 HydrophobicContact CG-CZ3 3.61Å; Q279-W298 PolarHBondContact NE2-O 2.72Å; W298-L300 HydrophobicContact CE3-CD1 3.95Å; W298-L300 HydrophobicContact CH2-CD1 3.47Å; W298-L300 VanDerWaalsContact CH2-CD1 3.47Å; W298-L300 HydrophobicContact CH2-CG 3.82Å; W298-L300 HydrophobicContact CZ2-CD1 4.22Å; W298-L300 HydrophobicContact CZ2-CG 4.21Å; W298-L300 HydrophobicContact CZ3-CD1 3.3Å; W298-L300 HydrophobicContact CZ3-CG 4.15Å
299	E	79.4	Confident	72.9	Confident	165 Å²	165	100.5 Å²	100.5	77%	0.771	56%	0.557	S	S	*	*			trans	-81	126.7	168.2	-68.9	-179.3	173.6	0	0	107.3	R297 S301	R297-E299 PolarHBondContact O-N 2.95Å; E299-S301 PolarHBondContact O-N 3.41Å
300	L	62.6	Low	71.7	Confident	126 Å²	126	101.7 Å²	101.7	66%	0.66	57%	0.569	S	S	*	*			trans	-59.2	95.9	157.9	-101	91.6	0	0	0	105	W298 S302	W298-L300 HydrophobicContact CE3-CD1 3.95Å; W298-L300 HydrophobicContact CH2-CD1 3.47Å; W298-L300 VanDerWaalsContact CH2-CD1 3.47Å; W298-L300 HydrophobicContact CH2-CG 3.82Å; W298-L300 HydrophobicContact CZ2-CD1 4.22Å; W298-L300 HydrophobicContact CZ2-CG 4.21Å; W298-L300 HydrophobicContact CZ3-CD1 3.3Å; W298-L300 HydrophobicContact CZ3-CG 4.15Å; L300-S302 VanDerWaalsContact C-N 3.34Å; L300-S302 PolarHBondContact O-N 3.45Å
301	S	51.3	Low	70.8	Confident	105 Å²	105	104.9 Å²	104.9	73%	0.734	59%	0.585	S	S	*	*			trans	-51.9	110.9	167.1	179.4	0	0	0	0	105.1	E299 Q303	E299-S301 PolarHBondContact O-N 3.41Å; S301-Q303 PolarHBondContact O-N 2.98Å
302	S	42	Very low	70	Confident	101 Å²	101	103.1 Å²	103.1	71%	0.706	57%	0.568	S	S	*	*			trans	-52	101.5	165	48.8	0	0	0	0	104.8	L300 P304	L300-S302 VanDerWaalsContact C-N 3.34Å; L300-S302 PolarHBondContact O-N 3.45Å; S302-P304 VanDerWaalsContact O-N 3.12Å
303	Q	40.3	Very low	69.2	Low	167 Å²	167	98.1 Å²	98.1	78%	0.78	56%	0.555	S	S	*	*			trans	-43.2	128.5	154	-80	-178	-22.2	0	0	104.6	S301 T305	S301-Q303 PolarHBondContact O-N 2.98Å; Q303-T305 PolarHBondContact O-N 2.93Å
304	P	38.6	Very low	68.6	Low	114 Å²	114	96 Å²	96	74%	0.74	55%	0.546	S	S	*	.			trans	-56.3	105.8	168.3	22.9	-28.6	0	0	0	104	S302 I306	S302-P304 VanDerWaalsContact O-N 3.12Å; P304-I306 PolarHBondContact O-N 3.28Å
305	T	48.4	Very low	68.2	Low	129 Å²	129	98.9 Å²	98.9	79%	0.791	56%	0.561	S	S	*	*			trans	-59.1	93.1	161.5	20.4	0	0	0	0	102.5	Q303	Q303-T305 PolarHBondContact O-N 2.93Å
306	I	54.9	Low	67.6	Low	108 Å²	108	99.7 Å²	99.7	55%	0.554	57%	0.566	S	S	*	*			trans	-40.3	123	159.5	-62.7	174	0	0	0	103	P304 I308 I311	P304-I306 PolarHBondContact O-N 3.28Å; I306-I308 WeakPolarHBondContact O-CG1 3.07Å; I306-I308 PolarHBondContact O-N 3.49Å; I306-I311 HydrophobicContact CG2-CD1 3.58Å
307	P	56.7	Low	67.1	Low	91 Å²	91	103.9 Å²	103.9	59%	0.591	59%	0.588	S	S	*	*			trans	-70.3	83.1	-174	27.6	-32.5	0	0	0	106.9	V309 G310 I311	P307-V309 PolarHBondContact O-N 2.94Å; P307-V309 VanDerWaalsContact O-N 3.13Å; P307-G310 WeakPolarHBondContact O-CA 3.48Å; P307-G310 PolarHBondContact O-N 3.35Å; P307-I311 PolarHBondContact O-N 2.92Å
308	I	60.7	Low	66.6	Low	111 Å²	111	101.4 Å²	101.4	57%	0.569	59%	0.586	S	S	*	*	H	α-helix	trans	-55.4	-33.8	-179.5	-70.5	166.1	0	0	0	108.2	I306 G310 I311 I312	I306-I308 WeakPolarHBondContact O-CG1 3.07Å; I306-I308 PolarHBondContact O-N 3.49Å; I308-G310 PolarHBondContact O-N 2.91Å; I308-I311 PolarHBondContact O-N 3.03Å; I308-I312 HydrophobicContact CG2-CD1 3.62Å; I308-I312 HydrophobicContact CG2-CG1 4.25Å; I308-I312 WeakPolarHBondContact O-CB 3.43Å; I308-I312 WeakPolarHBondContact O-CG1 3.3Å; I308-I312 PolarHBondContact O-N 3.33Å
309	V	62.8	Low	66.3	Low	121 Å²	121	101.2 Å²	101.2	73%	0.733	60%	0.596	S	S	*	*	H	α-helix	trans	-60.7	-41.8	173.5	-175.8	0	0	0	0	112.6	P307 A313	P307-V309 PolarHBondContact O-N 2.94Å; P307-V309 VanDerWaalsContact O-N 3.13Å; V309-A313 VanDerWaalsContact O-CB 3.29Å; V309-A313 WeakPolarHBondContact O-CB 3.36Å; V309-A313 PolarHBondContact O-N 3.39Å
310	G	68.4	Low	66.4	Low	45 Å²	45	96.1 Å²	96.1	46%	0.464	58%	0.583	S	S	.	*	H	α-helix	trans	-69.6	-37.4	178.6	0	0	0	0	0	112.7	P307 I308 G314	P307-G310 WeakPolarHBondContact O-CA 3.48Å; P307-G310 PolarHBondContact O-N 3.35Å; I308-G310 PolarHBondContact O-N 2.91Å; G310-G314 PolarHBondContact O-N 3.48Å
311	I	74	Confident	67.3	Low	91 Å²	91	95 Å²	95	47%	0.467	58%	0.581	S	S	.	*	H	α-helix	trans	-68.8	-44.5	175.8	-62.4	175.8	0	0	0	110.6	I306 P307 I308 G314 L315	I306-I311 HydrophobicContact CG2-CD1 3.58Å; P307-I311 PolarHBondContact O-N 2.92Å; I308-I311 PolarHBondContact O-N 3.03Å; I311-G314 PolarHBondContact O-N 3.23Å; I311-L315 HydrophobicContact CG2-CD1 3.94Å; I311-L315 HydrophobicContact CG2-CG 4.44Å; I311-L315 WeakPolarHBondContact O-CB 3.24Å; I311-L315 WeakPolarHBondContact O-CG 3.04Å; I311-L315 PolarHBondContact O-N 3.25Å
312	I	76	Confident	68.8	Low	97 Å²	97	94.8 Å²	94.8	50%	0.497	57%	0.571	S	S	.	*	H	α-helix	trans	-62.9	-46.7	177.1	-68.3	169.5	0	0	0	110.6	I308 G314 L315 V316	I308-I312 HydrophobicContact CG2-CD1 3.62Å; I308-I312 HydrophobicContact CG2-CG1 4.25Å; I308-I312 WeakPolarHBondContact O-CB 3.43Å; I308-I312 WeakPolarHBondContact O-CG1 3.3Å; I308-I312 PolarHBondContact O-N 3.33Å; I312-G314 VanDerWaalsContact C-N 3.33Å; I312-G314 PolarHBondContact O-N 3.39Å; I312-L315 PolarHBondContact O-N 3.29Å; I312-V316 HydrophobicContact CG2-CG2 4.35Å; I312-V316 VanDerWaalsContact O-CG2 3.29Å; I312-V316 WeakPolarHBondContact O-CG2 3.49Å; I312-V316 PolarHBondContact O-N 2.87Å
313	A	76.6	Confident	70.4	Confident	48 Å²	48	94 Å²	94	40%	0.397	56%	0.562	S	S	.	*	H	α-helix	trans	-60.6	-42.2	177.4	0	0	0	0	0	112	V309 V316 L317	V309-A313 VanDerWaalsContact O-CB 3.29Å; V309-A313 WeakPolarHBondContact O-CB 3.36Å; V309-A313 PolarHBondContact O-N 3.39Å; A313-V316 PolarHBondContact O-N 3.5Å; A313-L317 WeakPolarHBondContact O-CB 3.37Å; A313-L317 WeakPolarHBondContact O-CG 3.45Å; A313-L317 PolarHBondContact O-N 2.81Å
314	G	81.3	Confident	72.2	Confident	31 Å²	31	88 Å²	88	32%	0.32	55%	0.545	S	S	.	.	H	α-helix	trans	-62.2	-44	175.4	0	0	0	0	0	113.1	G310 I311 I312 L317 L318	G310-G314 PolarHBondContact O-N 3.48Å; I311-G314 PolarHBondContact O-N 3.23Å; I312-G314 VanDerWaalsContact C-N 3.33Å; I312-G314 PolarHBondContact O-N 3.39Å; G314-L317 PolarHBondContact O-N 2.79Å; G314-L318 WeakPolarHBondContact O-CB 3.4Å; G314-L318 PolarHBondContact O-N 3.21Å
315	L	85.4	Confident	74	Confident	115 Å²	115	85.5 Å²	85.5	60%	0.602	53%	0.533	S	S	*	.	H	α-helix	trans	-66.5	-39.7	177.9	-74.1	170.6	0	0	0	112.5	I311 I312 L318 G319	I311-L315 HydrophobicContact CG2-CD1 3.94Å; I311-L315 HydrophobicContact CG2-CG 4.44Å; I311-L315 WeakPolarHBondContact O-CB 3.24Å; I311-L315 WeakPolarHBondContact O-CG 3.04Å; I311-L315 PolarHBondContact O-N 3.25Å; I312-L315 PolarHBondContact O-N 3.29Å; L315-L318 PolarHBondContact O-N 3.15Å; L315-G319 PolarHBondContact O-N 3.4Å
316	V	84.6	Confident	75.5	Confident	99 Å²	99	83.3 Å²	83.3	60%	0.6	52%	0.52	S	S	*	.	H	α-helix	trans	-64.8	-43.7	176.3	171.6	0	0	0	0	110.9	I312 A313 G319 A320	I312-V316 HydrophobicContact CG2-CG2 4.35Å; I312-V316 VanDerWaalsContact O-CG2 3.29Å; I312-V316 WeakPolarHBondContact O-CG2 3.49Å; I312-V316 PolarHBondContact O-N 2.87Å; A313-V316 PolarHBondContact O-N 3.5Å; V316-G319 PolarHBondContact O-N 3.01Å; V316-A320 PolarHBondContact O-N 2.89Å
317	L	82.8	Confident	76.6	Confident	120 Å²	120	82.2 Å²	82.2	63%	0.628	52%	0.518	S	S	*	.	H	α-helix	trans	-63.1	-44.3	176.4	-76.2	168.3	0	0	0	111.9	A313 G314 G319 A320 V321	A313-L317 WeakPolarHBondContact O-CB 3.37Å; A313-L317 WeakPolarHBondContact O-CG 3.45Å; A313-L317 PolarHBondContact O-N 2.81Å; G314-L317 PolarHBondContact O-N 2.79Å; L317-G319 PolarHBondContact O-N 3.25Å; L317-A320 PolarHBondContact O-N 2.76Å; L317-V321 WeakPolarHBondContact O-CG2 3.43Å; L317-V321 PolarHBondContact O-N 3.12Å
318	L	83.4	Confident	77.4	Confident	105 Å²	105	80.7 Å²	80.7	55%	0.55	51%	0.513	S	S	.	.	H	α-helix	trans	-60.2	-44.3	174.6	-102.4	147.7	0	0	0	112	G314 L315 A320 V321 I322	G314-L318 WeakPolarHBondContact O-CB 3.4Å; G314-L318 PolarHBondContact O-N 3.21Å; L315-L318 PolarHBondContact O-N 3.15Å; L318-A320 VanDerWaalsContact C-N 3.33Å; L318-A320 PolarHBondContact O-N 3.09Å; L318-V321 PolarHBondContact O-N 3.26Å; L318-I322 HydrophobicContact CD2-CD1 4.38Å; L318-I322 VanDerWaalsContact O-CG1 3.26Å; L318-I322 WeakPolarHBondContact O-CG1 3.4Å; L318-I322 PolarHBondContact O-N 2.81Å
319	G	81.9	Confident	78	Confident	36 Å²	36	78 Å²	78	37%	0.371	51%	0.507	S	S	.	.	H	α-helix	trans	-59.5	-42.7	175.7	0	0	0	0	0	112.7	L315 V316 L317 T323	L315-G319 PolarHBondContact O-N 3.4Å; V316-G319 PolarHBondContact O-N 3.01Å; L317-G319 PolarHBondContact O-N 3.25Å; G319-T323 PolarHBondContact O-N 3.4Å; G319-T323 PolarHBondContact O-OG1 3.12Å
320	A	81.3	Confident	78.5	Confident	59 Å²	59	76 Å²	76	49%	0.488	50%	0.495	S	S	.	.	H	α-helix	trans	-66.3	-40.7	177.8	0	0	0	0	0	112.7	V316 L317 L318 T323 G324	V316-A320 PolarHBondContact O-N 2.89Å; L317-A320 PolarHBondContact O-N 2.76Å; L318-A320 VanDerWaalsContact C-N 3.33Å; L318-A320 PolarHBondContact O-N 3.09Å; A320-T323 WeakPolarHBondContact CA-OG1 3.29Å; A320-T323 PolarHBondContact O-OG1 3.2Å; A320-T323 VanDerWaalsContact O-OG1 3.09Å; A320-G324 PolarHBondContact O-N 3.31Å
321	V	82.9	Confident	78.7	Confident	103 Å²	103	80 Å²	80	62%	0.624	50%	0.504	S	S	*	.	H	α-helix	trans	-66.3	-43.5	177.3	172.3	0	0	0	0	111.2	L317 L318 G324 A325	L317-V321 WeakPolarHBondContact O-CG2 3.43Å; L317-V321 PolarHBondContact O-N 3.12Å; L318-V321 PolarHBondContact O-N 3.26Å; V321-G324 PolarHBondContact O-N 2.9Å; V321-A325 WeakPolarHBondContact O-CB 3.41Å; V321-A325 PolarHBondContact O-N 3.21Å
322	I	81.1	Confident	78.5	Confident	99 Å²	99	85.2 Å²	85.2	51%	0.508	52%	0.517	S	S	.	.	H	α-helix	trans	-64.4	-46.4	179	-67.2	168.2	0	0	0	110.4	L318 G324 A325 V326	L318-I322 HydrophobicContact CD2-CD1 4.38Å; L318-I322 VanDerWaalsContact O-CG1 3.26Å; L318-I322 WeakPolarHBondContact O-CG1 3.4Å; L318-I322 PolarHBondContact O-N 2.81Å; I322-G324 PolarHBondContact O-N 3.37Å; I322-A325 PolarHBondContact O-N 3.46Å; I322-V326 HydrophobicContact CG2-CG2 4.41Å; I322-V326 VanDerWaalsContact O-CG2 3.28Å; I322-V326 WeakPolarHBondContact O-CG2 3.28Å; I322-V326 PolarHBondContact O-N 3.06Å
323	T	76.4	Confident	78.1	Confident	86 Å²	86	90.3 Å²	90.3	53%	0.528	53%	0.53	S	S	.	.	H	α-helix	trans	-62.5	-42.7	176.7	36.1	0	0	0	0	111.9	G319 A320 A325 V326 V327	G319-T323 PolarHBondContact O-N 3.4Å; G319-T323 PolarHBondContact O-OG1 3.12Å; A320-T323 WeakPolarHBondContact CA-OG1 3.29Å; A320-T323 PolarHBondContact O-OG1 3.2Å; A320-T323 VanDerWaalsContact O-OG1 3.09Å; T323-A325 PolarHBondContact O-N 3.23Å; T323-V326 PolarHBondContact O-N 3.46Å; T323-V327 VanDerWaalsContact O-CG2 3.28Å; T323-V327 WeakPolarHBondContact O-CG2 3.31Å; T323-V327 PolarHBondContact O-N 3.31Å
324	G	77.2	Confident	77.4	Confident	41 Å²	41	98.4 Å²	98.4	42%	0.423	55%	0.551	S	S	.	*	H	α-helix	trans	-59	-45.3	173.8	0	0	0	0	0	113.1	A320 V321 I322 V327 A328	A320-G324 PolarHBondContact O-N 3.31Å; V321-G324 PolarHBondContact O-N 2.9Å; I322-G324 PolarHBondContact O-N 3.37Å; G324-V327 PolarHBondContact O-N 2.99Å; G324-A328 WeakPolarHBondContact O-CB 3.39Å; G324-A328 PolarHBondContact O-N 3.48Å
325	A	78.2	Confident	76.2	Confident	60 Å²	60	105.9 Å²	105.9	50%	0.496	57%	0.574	S	S	.	*	H	α-helix	trans	-64.9	-40.6	178.4	0	0	0	0	0	112.4	V321 I322 T323 A328 A329	V321-A325 WeakPolarHBondContact O-CB 3.41Å; V321-A325 PolarHBondContact O-N 3.21Å; I322-A325 PolarHBondContact O-N 3.46Å; T323-A325 PolarHBondContact O-N 3.23Å; A325-A328 PolarHBondContact O-N 3.24Å; A325-A329 WeakPolarHBondContact O-CB 3.32Å; A325-A329 PolarHBondContact O-N 3.17Å
326	V	79.5	Confident	74.8	Confident	84 Å²	84	104.7 Å²	104.7	51%	0.509	58%	0.576	S	S	.	*	H	α-helix	trans	-64.9	-45.1	176.2	172	0	0	0	0	110.9	I322 T323 A328 A329 V330	I322-V326 HydrophobicContact CG2-CG2 4.41Å; I322-V326 VanDerWaalsContact O-CG2 3.28Å; I322-V326 WeakPolarHBondContact O-CG2 3.28Å; I322-V326 PolarHBondContact O-N 3.06Å; T323-V326 PolarHBondContact O-N 3.46Å; V326-A328 PolarHBondContact O-N 3.03Å; V326-A329 PolarHBondContact O-N 2.86Å; V326-V330 HydrophobicContact CG1-CG2 4.33Å; V326-V330 WeakPolarHBondContact O-CB 3.18Å; V326-V330 VanDerWaalsContact O-CG2 3.27Å; V326-V330 WeakPolarHBondContact O-CG2 3.38Å; V326-V330 PolarHBondContact O-N 3.25Å
327	V	77.7	Confident	73.1	Confident	85 Å²	85	107.5 Å²	107.5	52%	0.515	60%	0.599	S	S	.	*	H	α-helix	trans	-61.8	-44.7	177.2	172.3	0	0	0	0	110.8	T323 G324 A329 V330 M331	T323-V327 VanDerWaalsContact O-CG2 3.28Å; T323-V327 WeakPolarHBondContact O-CG2 3.31Å; T323-V327 PolarHBondContact O-N 3.31Å; G324-V327 PolarHBondContact O-N 2.99Å; V327-A329 PolarHBondContact O-N 3.44Å; V327-V330 PolarHBondContact O-N 3.46Å; V327-M331 HydrophobicContact CG1-CG 4.43Å; V327-M331 HydrophobicContact CG1-SD 4.11Å; V327-M331 WeakPolarHBondContact O-CB 2.99Å; V327-M331 WeakPolarHBondContact O-CG 3.44Å; V327-M331 PolarHBondContact O-N 3.09Å
328	A	73.7	Confident	72.7	Confident	58 Å²	58	106.9 Å²	106.9	48%	0.479	60%	0.598	S	S	.	*	H	α-helix	trans	-61.4	-43.7	176.3	0	0	0	0	0	112.2	G324 A325 V326 M331 W332	G324-A328 WeakPolarHBondContact O-CB 3.39Å; G324-A328 PolarHBondContact O-N 3.48Å; A325-A328 PolarHBondContact O-N 3.24Å; V326-A328 PolarHBondContact O-N 3.03Å; A328-M331 PolarHBondContact O-N 3.45Å; A328-W332 WeakPolarHBondContact O-CB 3.2Å; A328-W332 PolarHBondContact O-N 3.29Å
329	A	73.8	Confident	72.1	Confident	54 Å²	54	106.9 Å²	106.9	45%	0.446	60%	0.6	S	S	.	*	H	α-helix	trans	-65.1	-40.2	177.1	0	0	0	0	0	112.6	A325 V326 V327 W332 R333	A325-A329 WeakPolarHBondContact O-CB 3.32Å; A325-A329 PolarHBondContact O-N 3.17Å; V326-A329 PolarHBondContact O-N 2.86Å; V327-A329 PolarHBondContact O-N 3.44Å; A329-W332 PolarHBondContact O-N 3.13Å; A329-R333 PolarHBondContact O-N 2.98Å
330	V	72.9	Confident	71.6	Confident	81 Å²	81	110.9 Å²	110.9	49%	0.491	61%	0.613	S	S	.	*	H	α-helix	trans	-66.6	-43.2	176	170.3	0	0	0	0	111.1	V326 V327 W332 R333 R334	V326-V330 HydrophobicContact CG1-CG2 4.33Å; V326-V330 WeakPolarHBondContact O-CB 3.18Å; V326-V330 VanDerWaalsContact O-CG2 3.27Å; V326-V330 WeakPolarHBondContact O-CG2 3.38Å; V326-V330 PolarHBondContact O-N 3.25Å; V327-V330 PolarHBondContact O-N 3.46Å; V330-W332 VanDerWaalsContact C-N 3.33Å; V330-W332 PolarHBondContact O-N 2.72Å; V330-R333 PolarHBondContact O-N 2.96Å; V330-R334 PolarHBondContact O-N 2.92Å
331	M	72.3	Confident	71	Confident	129 Å²	129	113.9 Å²	113.9	64%	0.635	62%	0.621	S	S	*	*	H	α-helix	trans	-63.2	-39.5	175.2	-75	-176.5	67.7	0	0	111.9	V327 A328 R334 K335	V327-M331 HydrophobicContact CG1-CG 4.43Å; V327-M331 HydrophobicContact CG1-SD 4.11Å; V327-M331 WeakPolarHBondContact O-CB 2.99Å; V327-M331 WeakPolarHBondContact O-CG 3.44Å; V327-M331 PolarHBondContact O-N 3.09Å; A328-M331 PolarHBondContact O-N 3.45Å; M331-R334 PolarHBondContact O-N 2.67Å; M331-K335 PolarHBondContact O-N 3.06Å
332	W	70.3	Confident	70.2	Confident	200 Å²	200	114.6 Å²	114.6	76%	0.758	62%	0.62	S	S	*	*	H	α-helix	trans	-66	-44	176.7	-164.2	9.9	0	0	0	111.4	A328 A329 V330 R334 K335 S336	A328-W332 WeakPolarHBondContact O-CB 3.2Å; A328-W332 PolarHBondContact O-N 3.29Å; A329-W332 PolarHBondContact O-N 3.13Å; V330-W332 VanDerWaalsContact C-N 3.33Å; V330-W332 PolarHBondContact O-N 2.72Å; W332-R334 VanDerWaalsContact C-N 3.32Å; W332-R334 PolarHBondContact O-N 2.97Å; W332-K335 PolarHBondContact O-N 3.36Å; W332-K335 VanDerWaalsContact O-N 3.08Å; W332-S336 PolarHBondContact O-N 3.15Å; W332-S336 VanDerWaalsContact O-N 3.14Å; W332-S336 PolarHBondContact O-OG 3.3Å; W332-S336 VanDerWaalsContact O-OG 3.14Å
333	R	66.5	Low	69.5	Low	204 Å²	204	115.7 Å²	115.7	77%	0.77	63%	0.628	S	S	*	*	H	α-helix	trans	-60.2	-37.5	173.6	-101.2	-174.6	174.2	178.3	-0.8	113.5	A329 V330 K335 S336	A329-R333 PolarHBondContact O-N 2.98Å; V330-R333 PolarHBondContact O-N 2.96Å; R333-K335 VanDerWaalsContact C-N 3.26Å; R333-K335 PolarHBondContact O-N 3.16Å; R333-S336 WeakPolarHBondContact CA-OG 3.42Å; R333-S336 PolarHBondContact O-N 3Å; R333-S336 PolarHBondContact O-OG 2.89Å
334	R	61.4	Low	69	Low	218 Å²	218	117.8 Å²	117.8	82%	0.823	64%	0.635	S	S	*	*	H	α-helix	trans	-69.9	-20.9	175.6	-103.5	-174.1	171.9	-178	-1.6	113.8	V330 M331 W332	V330-R334 PolarHBondContact O-N 2.92Å; M331-R334 PolarHBondContact O-N 2.67Å; W332-R334 VanDerWaalsContact C-N 3.32Å; W332-R334 PolarHBondContact O-N 2.97Å
335	K	57.3	Low	68.4	Low	188 Å²	188	123.7 Å²	123.7	82%	0.817	65%	0.651	S	S	*	*	H	α-helix	trans	-95.5	-13.4	-180	-148.9	178.6	-175.4	-176	0	112.6	M331 W332 R333	M331-K335 PolarHBondContact O-N 3.06Å; W332-K335 PolarHBondContact O-N 3.36Å; W332-K335 VanDerWaalsContact O-N 3.08Å; R333-K335 VanDerWaalsContact C-N 3.26Å; R333-K335 PolarHBondContact O-N 3.16Å
336	S	55.3	Low	67.6	Low	90 Å²	90	129 Å²	129	63%	0.629	66%	0.664	S	S	*	*			trans	-105.8	9.8	179	62.1	0	0	0	0	113.7	W332 R333	W332-S336 PolarHBondContact O-N 3.15Å; W332-S336 VanDerWaalsContact O-N 3.14Å; W332-S336 PolarHBondContact O-OG 3.3Å; W332-S336 VanDerWaalsContact O-OG 3.14Å; R333-S336 WeakPolarHBondContact CA-OG 3.42Å; R333-S336 PolarHBondContact O-N 3Å; R333-S336 PolarHBondContact O-OG 2.89Å
337	S	50.3	Low	66.5	Low	157 Å²	157	133.1 Å²	133.1	100%	1.098	68%	0.678	S	S	*	*			trans	-120.5	0	168.7	-171.4	0	0	0	0	108.5

Retrieved 337 of 337 residues in 184.2 ms (Link to these results)

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