A0A090KKK1_HUMAN Loading...

HLA class I antigen

AlphaFold DB , UniProt , Accession A0A090KKK1, Species HUMAN (Homo sapiens, Human), Gene HLA-C, Length 366 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	34.4	Very low	42.1	Very low	238 Å²	238	144.7 Å²	144.7	100%	1.172	74%	0.738	S	S	*	*				0	102.2	0	-76.2	163.6	158.9	0	0	108.1	V3	M1-V3 PolarHBondContact O-N 3.29Å
2	R	34.4	Very low	42.3	Very low	251 Å²	251	143.8 Å²	143.8	95%	0.947	74%	0.735	S	S	*	*			trans	-81	110.1	171.2	-94.7	179.9	172.4	163.5	-2.7	106.8	M4	R2-M4 PolarHBondContact O-N 3.48Å; R2-M4 VanDerWaalsContact O-N 3.1Å
3	V	37.9	Very low	42	Very low	141 Å²	141	141.2 Å²	141.2	86%	0.855	72%	0.723	S	S	*	*			trans	-70.1	104.3	171.1	179.1	0	0	0	0	106.6	M1 A5	M1-V3 PolarHBondContact O-N 3.29Å; V3-A5 PolarHBondContact O-N 3.3Å
4	M	40.6	Very low	41.9	Very low	178 Å²	178	135.4 Å²	135.4	88%	0.877	70%	0.701	S	S	*	*			trans	-80.7	100.3	176.3	-156	168.7	67.5	0	0	106.6	R2	R2-M4 PolarHBondContact O-N 3.48Å; R2-M4 VanDerWaalsContact O-N 3.1Å
5	A	44.3	Very low	41.9	Very low	63 Å²	63	128.6 Å²	128.6	52%	0.521	68%	0.677	S	S	.	*			trans	-57.4	139.1	174.1	0	0	0	0	0	109.4	V3 R7	V3-A5 PolarHBondContact O-N 3.3Å; A5-R7 PolarHBondContact O-N 2.93Å
6	P	44.7	Very low	41.6	Very low	82 Å²	82	122.8 Å²	122.8	53%	0.532	66%	0.658	S	S	.	*			trans	-64.2	122.5	-176.3	-14	27.3	0	0	0	109.5	A8 L9	P6-A8 PolarHBondContact O-N 3.49Å; P6-L9 PolarHBondContact O-N 2.92Å
7	R	48.3	Very low	41.2	Very low	222 Å²	222	122.5 Å²	122.5	84%	0.838	66%	0.656	S	S	*	*	H	α-helix	trans	-52.2	-22.4	174.6	-86.2	178.2	164.4	169.8	-6	113.5	A5 L11	A5-R7 PolarHBondContact O-N 2.93Å; R7-L11 PolarHBondContact O-N 3.44Å
8	A	47	Very low	40.9	Very low	65 Å²	65	118.8 Å²	118.8	54%	0.537	65%	0.645	S	S	.	*	H	α-helix	trans	-68.6	-32.8	174.5	0	0	0	0	0	113.6	P6 L12	P6-A8 PolarHBondContact O-N 3.49Å; A8-L12 PolarHBondContact O-N 3.4Å
9	L	41.8	Very low	40.8	Very low	110 Å²	110	117.3 Å²	117.3	58%	0.576	64%	0.636	S	S	*	*	H	α-helix	trans	-72.9	-33.3	179.8	-128.4	93.9	0	0	0	112	P6 L13	P6-L9 PolarHBondContact O-N 2.92Å; L9-L13 WeakPolarHBondContact O-CD1 3.31Å; L9-L13 WeakPolarHBondContact O-CG 3.45Å; L9-L13 PolarHBondContact O-N 3.35Å
10	L	41.7	Very low	40.6	Very low	117 Å²	117	116.2 Å²	116.2	61%	0.613	63%	0.633	S	S	*	*	H	α-helix	trans	-69.7	-34.2	177	-95.5	138.1	0	0	0	112.6	S14	L10-S14 PolarHBondContact O-N 2.91Å; L10-S14 VanDerWaalsContact O-N 3.1Å; L10-S14 PolarHBondContact O-OG 2.95Å
11	L	47.6	Very low	40.4	Very low	125 Å²	125	118.5 Å²	118.5	65%	0.654	64%	0.64	S	S	*	*	H	α-helix	trans	-71.9	-36.9	177.6	-75.5	166.4	0	0	0	112.8	R7 S14 G15	R7-L11 PolarHBondContact O-N 3.44Å; L11-S14 VanDerWaalsContact CA-OG 3.3Å; L11-S14 WeakPolarHBondContact CA-OG 3.3Å; L11-S14 PolarHBondContact O-N 2.86Å; L11-S14 PolarHBondContact O-OG 2.9Å; L11-G15 PolarHBondContact O-N 3.28Å
12	L	45	Very low	40.8	Very low	134 Å²	134	112.2 Å²	112.2	70%	0.702	62%	0.615	S	S	*	*	H	α-helix	trans	-66.9	-37.3	174.7	-76.3	162.6	0	0	0	112.1	A8 G15 G16	A8-L12 PolarHBondContact O-N 3.4Å; L12-G15 PolarHBondContact O-N 3.5Å; L12-G16 PolarHBondContact O-N 2.85Å
13	L	38.4	Very low	41.5	Very low	109 Å²	109	104.6 Å²	104.6	57%	0.571	59%	0.586	S	S	*	*	H	α-helix	trans	-70.4	-34.4	175.4	-74.7	163.1	0	0	0	112.5	L9 L17	L9-L13 WeakPolarHBondContact O-CD1 3.31Å; L9-L13 WeakPolarHBondContact O-CG 3.45Å; L9-L13 PolarHBondContact O-N 3.35Å; L13-L17 WeakPolarHBondContact O-CB 3.29Å; L13-L17 WeakPolarHBondContact O-CD1 3.35Å; L13-L17 WeakPolarHBondContact O-CG 3.3Å; L13-L17 PolarHBondContact O-N 3.36Å
14	S	40.3	Very low	42.3	Very low	61 Å²	61	100.2 Å²	100.2	43%	0.427	56%	0.564	S	S	.	*	H	α-helix	trans	-72.2	-33.1	173.2	49.7	0	0	0	0	113.3	L10 L11 A18	L10-S14 PolarHBondContact O-N 2.91Å; L10-S14 VanDerWaalsContact O-N 3.1Å; L10-S14 PolarHBondContact O-OG 2.95Å; L11-S14 VanDerWaalsContact CA-OG 3.3Å; L11-S14 WeakPolarHBondContact CA-OG 3.3Å; L11-S14 PolarHBondContact O-N 2.86Å; L11-S14 PolarHBondContact O-OG 2.9Å; S14-A18 VanDerWaalsContact O-CB 3.28Å; S14-A18 WeakPolarHBondContact O-CB 3.31Å; S14-A18 PolarHBondContact O-N 3.27Å
15	G	41.6	Very low	43.8	Very low	33 Å²	33	94.2 Å²	94.2	34%	0.34	54%	0.54	S	S	.	.	H	α-helix	trans	-66.3	-43.6	172.3	0	0	0	0	0	112	L11 L12 L19	L11-G15 PolarHBondContact O-N 3.28Å; L12-G15 PolarHBondContact O-N 3.5Å; G15-L19 WeakPolarHBondContact O-CB 3.32Å; G15-L19 WeakPolarHBondContact O-CD1 3.43Å; G15-L19 PolarHBondContact O-N 3.49Å
16	G	38.4	Very low	46	Very low	36 Å²	36	94.8 Å²	94.8	37%	0.371	54%	0.54	S	S	.	.	H	α-helix	trans	-66.1	-40.2	175.9	0	0	0	0	0	113.9	L12 L19 T20	L12-G16 PolarHBondContact O-N 2.85Å; G16-L19 PolarHBondContact O-N 3.36Å; G16-T20 WeakPolarHBondContact O-CG2 3.43Å; G16-T20 PolarHBondContact O-N 2.85Å; G16-T20 VanDerWaalsContact O-N 3.09Å; G16-T20 PolarHBondContact O-OG1 2.87Å
17	L	34.2	Very low	48.5	Very low	117 Å²	117	92.3 Å²	92.3	61%	0.613	52%	0.521	S	S	*	.	H	α-helix	trans	-69.3	-38.6	176.8	-81.2	160.8	0	0	0	112.5	L13 L19 T20 E21	L13-L17 WeakPolarHBondContact O-CB 3.29Å; L13-L17 WeakPolarHBondContact O-CD1 3.35Å; L13-L17 WeakPolarHBondContact O-CG 3.3Å; L13-L17 PolarHBondContact O-N 3.36Å; L17-L19 VanDerWaalsContact C-N 3.32Å; L17-T20 WeakPolarHBondContact CA-OG1 3.48Å; L17-T20 PolarHBondContact O-N 3.48Å; L17-T20 PolarHBondContact O-OG1 3.29Å; L17-E21 PolarHBondContact O-N 3.42Å; L17-E21 VanDerWaalsContact O-N 3.15Å
18	A	36.1	Very low	50.8	Low	56 Å²	56	82.9 Å²	82.9	46%	0.463	49%	0.489	S	S	.	.	H	α-helix	trans	-65	-36	173.2	0	0	0	0	0	112.1	S14 T20 T22	S14-A18 VanDerWaalsContact O-CB 3.28Å; S14-A18 WeakPolarHBondContact O-CB 3.31Å; S14-A18 PolarHBondContact O-N 3.27Å; A18-T20 VanDerWaalsContact C-N 3.35Å; A18-T22 WeakPolarHBondContact O-CG2 3.5Å
19	L	38.5	Very low	53.3	Low	91 Å²	91	79.8 Å²	79.8	48%	0.476	46%	0.464	S	S	.	.	H	α-helix	trans	-70.3	-25.8	175.1	-93.2	150.5	0	0	0	113.5	G15 G16 L17 T22	G15-L19 WeakPolarHBondContact O-CB 3.32Å; G15-L19 WeakPolarHBondContact O-CD1 3.43Å; G15-L19 PolarHBondContact O-N 3.49Å; G16-L19 PolarHBondContact O-N 3.36Å; L17-L19 VanDerWaalsContact C-N 3.32Å; L19-T22 PolarHBondContact O-OG1 2.91Å; L19-T22 VanDerWaalsContact O-OG1 3.14Å
20	T	36.4	Very low	56	Low	95 Å²	95	76.7 Å²	76.7	58%	0.583	44%	0.444	S	S	*	.	H	α-helix	trans	-85.7	-28.2	176.5	50.8	0	0	0	0	113.7	G16 L17 A18 T22	G16-T20 WeakPolarHBondContact O-CG2 3.43Å; G16-T20 PolarHBondContact O-N 2.85Å; G16-T20 VanDerWaalsContact O-N 3.09Å; G16-T20 PolarHBondContact O-OG1 2.87Å; L17-T20 WeakPolarHBondContact CA-OG1 3.48Å; L17-T20 PolarHBondContact O-N 3.48Å; L17-T20 PolarHBondContact O-OG1 3.29Å; A18-T20 VanDerWaalsContact C-N 3.35Å; T20-T22 VanDerWaalsContact C-N 3.32Å
21	E	36.5	Very low	58.7	Low	165 Å²	165	71.4 Å²	71.4	77%	0.771	42%	0.416	S	S	*	.	H	α-helix	trans	-71.9	-25.1	175.9	-97	-175.4	159.6	0	0	112.7	L17 W23	L17-E21 PolarHBondContact O-N 3.42Å; L17-E21 VanDerWaalsContact O-N 3.15Å; E21-W23 VanDerWaalsContact C-N 3.25Å; E21-W23 PolarHBondContact O-N 3.41Å
22	T	42.3	Very low	61.1	Low	105 Å²	105	69.4 Å²	69.4	64%	0.644	40%	0.402	S	S	*	.	T	Hydrogen-bonded Turn	trans	-77.7	-2.3	-178.7	52.6	0	0	0	0	114.9	A18 L19 T20	A18-T22 WeakPolarHBondContact O-CG2 3.5Å; L19-T22 PolarHBondContact O-OG1 2.91Å; L19-T22 VanDerWaalsContact O-OG1 3.14Å; T20-T22 VanDerWaalsContact C-N 3.32Å
23	W	50.4	Low	63.7	Low	92 Å²	92	63.2 Å²	63.2	35%	0.348	37%	0.37	S	S	.	.	T	Hydrogen-bonded Turn	trans	-116	8.4	-177.6	-68.5	69.9	0	0	0	113.3	E21 C25 H287 E288 L290	E21-W23 VanDerWaalsContact C-N 3.25Å; E21-W23 PolarHBondContact O-N 3.41Å; W23-C25 PolarHBondContact O-N 3.35Å; W23-C25 VanDerWaalsContact O-N 3.13Å; W23-H287 WeakPolarHBondContact CH2-O 3.43Å; W23-E288 HydrophobicContact CE3-CB 4.44Å; W23-E288 HydrophobicContact CE3-CG 4.16Å; W23-E288 HydrophobicContact CZ3-CB 4.38Å; W23-E288 HydrophobicContact CZ3-CG 4.43Å; W23-E288 WeakPolarHBondContact CZ3-O 3.4Å; W23-L290 WeakPolarHBondContact CH2-O 3.37Å; W23-L290 WeakPolarHBondContact CZ3-O 3.37Å
24	A	54.1	Low	66.6	Low	48 Å²	48	59.8 Å²	59.8	40%	0.397	35%	0.354	S	S	.	.	S	Bend	trans	-75.4	103.8	169.6	0	0	0	0	0	106.7	S26 P129	A24-S26 PolarHBondContact O-N 2.99Å; A24-P129 HydrophobicContact CB-CB 3.62Å; A24-P129 HydrophobicContact CB-CG 3.15Å; A24-P129 WeakPolarHBondContact O-CG 3.44Å
25	C	72.8	Confident	69.3	Low	53 Å²	53	57 Å²	57	36%	0.358	33%	0.334	S	S	.	.			trans	-54.4	105	-172.1	-59.3	0	0	0	0	111	W23 E288	W23-C25 PolarHBondContact O-N 3.35Å; W23-C25 VanDerWaalsContact O-N 3.13Å; C25-E288 PolarHBondContact SG-OE1 2.94Å
26	S	91	Very high	72.1	Confident	74 Å²	74	57.4 Å²	57.4	52%	0.517	33%	0.33	S	S	.	.			trans	-82.5	147.6	164.7	56	0	0	0	0	109.1	A24 L127	A24-S26 PolarHBondContact O-N 2.99Å; S26-L127 VanDerWaalsContact CA-O 3.27Å; S26-L127 WeakPolarHBondContact CA-O 3.18Å; S26-L127 WeakPolarHBondContact CB-O 3.47Å
27	H	95.3	Very high	74.9	Confident	30 Å²	30	56.5 Å²	56.5	14%	0.139	32%	0.318	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-126.5	151.3	176.8	-68.5	-75.3	0	0	0	110.6	D53 D126 L127 L192 L196	H27-D53 WeakPolarHBondContact CA-OD1 3.27Å; H27-D53 IonicContact CE1-OD2 3.38Å; H27-D53 IonicContact CG-OD2 3.7Å; H27-D53 IonicContact ND1-OD1 3.23Å; H27-D53 IonicContact ND1-OD2 3.23Å; H27-D53 PolarHBondContact ND1-OD2 3.47Å; H27-D126 CarbonylContact O-C 3.52Å; H27-D126 WeakPolarHBondContact O-CA 3.14Å; H27-L127 PolarHBondContact N-O 2.8Å; H27-L127 VanDerWaalsContact N-O 3.13Å; H27-L127 PolarHBondContact O-N 2.94Å; H27-L192 HydrophobicContact CB-CD1 4.46Å; H27-L196 HydrophobicContact CB-CD1 3.7Å; H27-L196 HydrophobicContact CB-CD2 4Å; H27-L196 HydrophobicContact CB-CG 4.43Å; H27-L196 WeakPolarHBondContact ND1-CD2 3.33Å
28	S	97.5	Very high	77.8	Confident	25 Å²	25	54.2 Å²	54.2	18%	0.175	30%	0.301	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-129.9	151	178.9	65.9	0	0	0	0	111.7	V52 D53 C125 D126	S28-V52 CarbonylContact O-C 3.58Å; S28-V52 VanDerWaalsContact O-CA 3.31Å; S28-V52 WeakPolarHBondContact O-CA 3.36Å; S28-D53 PolarHBondContact N-OD1 2.77Å; S28-D53 PolarHBondContact O-N 2.86Å; S28-C125 WeakPolarHBondContact CA-O 3.38Å; S28-D126 WeakPolarHBondContact CB-OD1 3.44Å
29	M	98.6	Very high	80.5	Confident	0 Å²	0	54 Å²	54	0%	0	30%	0.295	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-125.3	121.7	166.7	-175.1	170.7	62.5	0	0	108.1	Y31 Y51 V52 F57 G124 C125 C188 W191 L192 Y195	M29-Y31 HydrophobicContact CE-CE2 4.22Å; M29-Y31 HydrophobicContact CG-CE2 4.05Å; M29-Y31 HydrophobicContact SD-CE2 4.07Å; M29-Y51 WeakPolarHBondContact CA-O 3.46Å; M29-V52 HydrophobicContact CG-CG2 4.29Å; M29-F57 HydrophobicContact CG-CE1 4.41Å; M29-F57 HydrophobicContact SD-CZ 4.28Å; M29-G124 CarbonylContact O-C 3.46Å; M29-G124 WeakPolarHBondContact O-CA 3.35Å; M29-C125 PolarHBondContact N-O 3.32Å; M29-C125 PolarHBondContact O-N 3.43Å; M29-C188 HydrophobicContact CE-CB 4.21Å; M29-C188 VanDerWaalsContact CE-O 3.22Å; M29-C188 WeakPolarHBondContact CE-O 3.47Å; M29-C188 WeakPolarHBondContact CE-SG 3.36Å; M29-W191 HydrophobicContact CE-CB 4.04Å; M29-W191 HydrophobicContact SD-CB 4.42Å; M29-L192 HydrophobicContact CB-CB 4.06Å; M29-L192 HydrophobicContact CB-CD1 4.04Å; M29-L192 HydrophobicContact CB-CD2 3.96Å; M29-L192 HydrophobicContact CB-CG 4.23Å; M29-L192 HydrophobicContact CE-CB 4.29Å; M29-L192 HydrophobicContact SD-CB 4.4Å; M29-Y195 HydrophobicContact SD-CD2 3.7Å; M29-Y195 HydrophobicContact SD-CE2 3.57Å; M29-Y195 VanDerWaalsContact SD-CE2 3.57Å
30	R	98.6	Very high	83	Confident	45 Å²	45	53.9 Å²	53.9	17%	0.17	32%	0.316	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-129.7	136.9	-176.5	-56.9	-62.6	-178.6	74.8	4.7	110.7	F32 G50 Y51 D126 Y137	R30-F32 HydrophobicContact CB-CD2 4.47Å; R30-F32 HydrophobicContact CB-CE2 3.64Å; R30-F32 HydrophobicContact CB-CZ 3.95Å; R30-G50 CarbonylContact O-C 3.6Å; R30-G50 WeakPolarHBondContact O-CA 3.4Å; R30-Y51 PolarHBondContact N-O 3.19Å; R30-Y51 PolarHBondContact O-N 2.95Å; R30-D126 IonicContact CZ-OD1 2.72Å; R30-D126 IonicContact NE-OD1 3.63Å; R30-D126 PolarHBondContact NE-OD1 3.15Å; R30-D126 VanDerWaalsContact NE-OD1 3.11Å; R30-D126 IonicContact NH2-OD1 3.18Å; R30-D126 PolarHBondContact NH2-OD1 3.44Å; R30-D126 IonicContact NH2-OD2 3.62Å; R30-D126 PolarHBondContact NH2-OD2 2.81Å; R30-Y137 VanDerWaalsContact NH2-CZ 3.34Å; R30-Y137 PolarHBondContact NH2-OH 2.88Å
31	Y	98.8	Very high	85.6	Confident	6 Å²	6	59.9 Å²	59.9	2%	0.024	33%	0.328	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-112.7	140.4	169.5	-69.9	-94.5	0	0	0	109.2	M29 V49 F57 V58 M122 Y123	M29-Y31 HydrophobicContact CE-CE2 4.22Å; M29-Y31 HydrophobicContact CG-CE2 4.05Å; M29-Y31 HydrophobicContact SD-CE2 4.07Å; Y31-V49 CarbonylContact C-O 3.59Å; Y31-V49 WeakPolarHBondContact CA-O 3.35Å; Y31-F57 HydrophobicContact CE1-CZ 4.13Å; Y31-F57 AromaticContact CZ-CZ 3.78Å; Y31-F57 WeakPolarHBondContact OH-CZ 3.32Å; Y31-V58 HydrophobicContact CE1-CG2 3.97Å; Y31-M122 WeakPolarHBondContact O-CA 3.25Å; Y31-Y123 VanDerWaalsContact CB-CE1 3.44Å; Y31-Y123 HydrophobicContact CD2-CD2 4.32Å; Y31-Y123 AromaticContact CD2-CE2 3.59Å; Y31-Y123 HydrophobicContact CD2-CE2 3.59Å; Y31-Y123 AromaticContact CD2-CZ 3.84Å; Y31-Y123 HydrophobicContact CE2-CE2 4.37Å; Y31-Y123 HydrophobicContact CG-CE1 4.23Å; Y31-Y123 AromaticContact CG-CE2 3.88Å; Y31-Y123 HydrophobicContact CG-CE2 3.88Å; Y31-Y123 AromaticContact CG-CZ 3.6Å; Y31-Y123 PolarHBondContact N-O 3.42Å; Y31-Y123 PolarHBondContact O-N 3.25Å; Y31-Y123 VanDerWaalsContact O-N 3.11Å
32	F	98.9	Very high	88.3	Confident	83 Å²	83	54.9 Å²	54.9	36%	0.364	32%	0.321	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-125.8	112.7	177.7	-57.3	-95.9	0	0	0	108.7	R30 S48 V49 Y51 R121 M122	R30-F32 HydrophobicContact CB-CD2 4.47Å; R30-F32 HydrophobicContact CB-CE2 3.64Å; R30-F32 HydrophobicContact CB-CZ 3.95Å; F32-S48 WeakPolarHBondContact O-CA 3.39Å; F32-V49 HydrophobicContact CB-CG2 3.86Å; F32-V49 HydrophobicContact CD2-CG2 4.3Å; F32-V49 PolarHBondContact N-O 2.82Å; F32-V49 PolarHBondContact O-N 2.97Å; F32-Y51 HydrophobicContact CD2-CD2 4.17Å; F32-Y51 HydrophobicContact CE2-CD2 4.16Å; F32-R121 WeakPolarHBondContact CA-O 3.38Å; F32-M122 HydrophobicContact CD1-CB 3.96Å; F32-M122 HydrophobicContact CD1-CG 3.65Å; F32-M122 HydrophobicContact CE1-CB 4.1Å; F32-M122 HydrophobicContact CE1-CG 3.36Å; F32-M122 HydrophobicContact CG-CG 4.47Å; F32-M122 HydrophobicContact CZ-CG 3.97Å
33	D	98.8	Very high	90.7	Very high	3 Å²	3	54.6 Å²	54.6	2%	0.016	31%	0.312	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-100.1	140.2	174.5	-61.7	-31.8	0	0	0	109.4	F46 I47 S48 Q120 R121	D33-F46 HydrophobicContact CB-CE2 3.8Å; D33-F46 HydrophobicContact CB-CZ 4Å; D33-I47 CarbonylContact C-O 3.57Å; D33-I47 WeakPolarHBondContact CA-O 3.38Å; D33-S48 WeakPolarHBondContact OD1-CB 3.34Å; D33-S48 PolarHBondContact OD1-OG 3.39Å; D33-S48 VanDerWaalsContact OD1-OG 3.05Å; D33-Q120 VanDerWaalsContact O-CA 3.28Å; D33-Q120 WeakPolarHBondContact O-CA 3.42Å; D33-R121 HydrophobicContact CB-CB 4.13Å; D33-R121 PolarHBondContact N-O 3.44Å; D33-R121 PolarHBondContact O-N 3.06Å
34	T	98.9	Very high	93	Very high	38 Å²	38	51.7 Å²	51.7	23%	0.233	31%	0.305	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-140.3	118.7	175.2	-61.2	0	0	0	0	109.7	V36 F46 I47 T118 Q120	T34-V36 HydrophobicContact CG2-CG2 3.98Å; T34-F46 WeakPolarHBondContact O-CA 3.36Å; T34-I47 PolarHBondContact N-O 3.36Å; T34-I47 PolarHBondContact O-N 2.93Å; T34-T118 HydrophobicContact CG2-CG2 4.07Å; T34-Q120 HydrophobicContact CG2-CG 4.12Å
35	A	98.7	Very high	95.1	Very high	2 Å²	2	52.7 Å²	52.7	2%	0.017	30%	0.299	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-111.2	123.4	174	0	0	0	0	0	110.1	R45 F46 D98 L102 T118 F119	A35-R45 CarbonylContact C-O 3.58Å; A35-R45 VanDerWaalsContact CA-O 3.29Å; A35-R45 WeakPolarHBondContact CA-O 3.5Å; A35-F46 HydrophobicContact CB-CD2 4.28Å; A35-D98 HydrophobicContact CB-CB 3.63Å; A35-L102 HydrophobicContact CB-CD1 3.82Å; A35-T118 CarbonylContact O-C 3.58Å; A35-T118 WeakPolarHBondContact O-CA 3.48Å; A35-F119 PolarHBondContact N-O 2.84Å; A35-F119 PolarHBondContact O-N 3.41Å
36	V	98.5	Very high	96.3	Very high	41 Å²	41	50.3 Å²	50.3	25%	0.248	28%	0.282	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-119.2	113.5	-179.5	-174.1	0	0	0	0	109.4	T34 P44 R45 T118	T34-V36 HydrophobicContact CG2-CG2 3.98Å; V36-P44 CarbonylContact O-C 3.56Å; V36-P44 WeakPolarHBondContact O-CA 3.42Å; V36-R45 PolarHBondContact N-O 3.46Å; V36-R45 PolarHBondContact O-N 2.98Å; V36-T118 HydrophobicContact CG2-CG2 4.17Å
37	S	97.8	Very high	96.7	Very high	17 Å²	17	48.7 Å²	48.7	12%	0.119	27%	0.268	C	S	.	.			trans	-70.8	145	174.7	56.7	0	0	0	0	111.6	S116 H117	S37-S116 WeakPolarHBondContact O-CB 3.48Å; S37-S116 PolarHBondContact O-OG 3.4Å; S37-H117 PolarHBondContact N-O 3.02Å; S37-H117 WeakPolarHBondContact OG-CA 3.3Å; S37-H117 PolarHBondContact OG-N 2.61Å; S37-H117 PolarHBondContact OG-O 3.48Å
38	R	95.8	Very high	96.8	Very high	69 Å²	69	47.3 Å²	47.3	26%	0.26	26%	0.261	S	S	.	.			trans	-139.2	75.8	-174.1	-58.5	165.9	177.4	-172.7	-12.8	111	G40 R41 D63	R38-G40 PolarHBondContact O-N 3.43Å; R38-R41 HydrophobicContact CB-CB 4.07Å; R38-R41 PolarHBondContact O-N 3.05Å; R38-D63 IonicContact CZ-OD2 2.8Å; R38-D63 IonicContact NH1-OD1 3.34Å; R38-D63 IonicContact NH1-OD2 3.47Å; R38-D63 PolarHBondContact NH1-OD2 3.45Å; R38-D63 IonicContact NH2-OD2 3.81Å; R38-D63 PolarHBondContact NH2-OD2 2.94Å
39	P	92.1	Very high	96.9	Very high	52 Å²	52	47.3 Å²	47.3	34%	0.338	26%	0.26	S	S	.	.	T	Hydrogen-bonded Turn	trans	-49.5	131	-179	-27	35.3	0	0	0	111.8	R41 E113 G115	P39-R41 PolarHBondContact O-N 3.06Å; P39-E113 WeakPolarHBondContact CB-O 3.4Å; P39-E113 WeakPolarHBondContact CG-O 3.39Å; P39-G115 WeakPolarHBondContact CG-O 3.46Å
40	G	90.6	Very high	96.9	Very high	89 Å²	89	47.3 Å²	47.3	92%	0.918	26%	0.26	S	S	*	.	T	Hydrogen-bonded Turn	trans	72.5	1.2	-178.5	0	0	0	0	0	116.4	R38	R38-G40 PolarHBondContact O-N 3.43Å
41	R	92.8	Very high	96.9	Very high	220 Å²	220	48.4 Å²	48.4	83%	0.83	27%	0.265	S	S	*	.	S	Bend	trans	-124.4	24.5	-179.3	-57.3	-175	-179.4	-171.4	0.7	113.8	R38 P39	R38-R41 HydrophobicContact CB-CB 4.07Å; R38-R41 PolarHBondContact O-N 3.05Å; P39-R41 PolarHBondContact O-N 3.06Å
42	G	91.4	Very high	96.9	Very high	61 Å²	61	48.1 Å²	48.1	63%	0.629	26%	0.263	S	S	*	.	S	Bend	trans	98.6	-156	177.3	0	0	0	0	0	113.6
43	E	94.4	Very high	96.7	Very high	99 Å²	99	45.5 Å²	45.5	46%	0.463	25%	0.253	S	S	.	.	S	Bend	trans	-72.7	158.3	-179.7	-63.9	-59.7	165.1	0	0	112.2	R45 R99	E43-R45 PolarHBondContact O-N 3.28Å; E43-R99 IonicContact OE1-CZ 2.86Å; E43-R99 IonicContact OE1-NE 3.38Å; E43-R99 IonicContact OE1-NH1 2.98Å; E43-R99 PolarHBondContact OE1-NH1 3.37Å; E43-R99 IonicContact OE1-NH2 2.69Å; E43-R99 PolarHBondContact OE1-NH2 3.4Å; E43-R99 VanDerWaalsContact OE2-CD 3.29Å; E43-R99 WeakPolarHBondContact OE2-CD 2.96Å; E43-R99 IonicContact OE2-CZ 3.61Å; E43-R99 IonicContact OE2-NE 3.54Å; E43-R99 PolarHBondContact OE2-NE 2.82Å; E43-R99 IonicContact OE2-NH1 3.99Å; E43-R99 PolarHBondContact OE2-NH1 2.92Å; E43-R99 IonicContact OE2-NH2 3.56Å; E43-R99 PolarHBondContact OE2-NH2 3.46Å
44	P	97.1	Very high	96.6	Very high	30 Å²	30	48.3 Å²	48.3	20%	0.195	27%	0.268	C	S	.	.	P	Polyproline II helix	trans	-55	133.2	169.6	-23.8	34.4	0	0	0	111.1	V36 R99 L102	V36-P44 CarbonylContact O-C 3.56Å; V36-P44 WeakPolarHBondContact O-CA 3.42Å; P44-R99 HydrophobicContact CG-CB 4.39Å; P44-R99 HydrophobicContact CG-CG 4.2Å; P44-L102 HydrophobicContact CB-CD1 3.65Å; P44-L102 HydrophobicContact CG-CD1 3.84Å
45	R	98.3	Very high	96.5	Very high	69 Å²	69	47.6 Å²	47.6	26%	0.26	26%	0.264	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-75.8	133.7	170.2	175.6	-177.9	-171.7	178.4	10.2	108.9	A35 V36 E43 I47 D61 S62 D63	A35-R45 CarbonylContact C-O 3.58Å; A35-R45 VanDerWaalsContact CA-O 3.29Å; A35-R45 WeakPolarHBondContact CA-O 3.5Å; V36-R45 PolarHBondContact N-O 3.46Å; V36-R45 PolarHBondContact O-N 2.98Å; E43-R45 PolarHBondContact O-N 3.28Å; R45-I47 HydrophobicContact CG-CG1 4.08Å; R45-D61 IonicContact CZ-OD1 2.98Å; R45-D61 IonicContact CZ-OD2 2.76Å; R45-D61 IonicContact NE-OD1 3.42Å; R45-D61 PolarHBondContact NE-OD1 3.3Å; R45-D61 IonicContact NE-OD2 2.77Å; R45-D61 IonicContact NH2-OD1 3.01Å; R45-D61 PolarHBondContact NH2-OD1 2.92Å; R45-D61 IonicContact NH2-OD2 3.67Å; R45-D61 PolarHBondContact NH2-OD2 2.97Å; R45-S62 WeakPolarHBondContact CA-OG 3.08Å; R45-D63 VanDerWaalsContact CD-OD2 3.29Å; R45-D63 WeakPolarHBondContact CD-OD2 3.26Å; R45-D63 HydrophobicContact CG-CB 4.5Å; R45-D63 IonicContact NE-OD2 3.78Å
46	F	98.8	Very high	96.4	Very high	3 Å²	3	50 Å²	50	1%	0.013	28%	0.275	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-113.6	128	174.6	177.9	-94.6	0	0	0	109.9	D33 T34 A35 F60 S62 Q94 A95 D98	D33-F46 HydrophobicContact CB-CE2 3.8Å; D33-F46 HydrophobicContact CB-CZ 4Å; T34-F46 WeakPolarHBondContact O-CA 3.36Å; A35-F46 HydrophobicContact CB-CD2 4.28Å; F46-F60 AromaticContact CD1-CD1 3.69Å; F46-F60 HydrophobicContact CD1-CD1 3.69Å; F46-F60 AromaticContact CD1-CE1 3.79Å; F46-F60 HydrophobicContact CD1-CE1 3.79Å; F46-F60 AromaticContact CE1-CD1 3.95Å; F46-F60 HydrophobicContact CE1-CD1 3.95Å; F46-F60 HydrophobicContact CE1-CE1 4.34Å; F46-S62 PolarHBondContact N-OG 3.01Å; F46-S62 PolarHBondContact O-N 3.48Å; F46-S62 PolarHBondContact O-OG 3.37Å; F46-Q94 HydrophobicContact CE2-CB 4.29Å; F46-Q94 HydrophobicContact CE2-CG 3.74Å; F46-Q94 HydrophobicContact CZ-CB 3.91Å; F46-Q94 HydrophobicContact CZ-CG 3.67Å; F46-A95 HydrophobicContact CB-CB 3.63Å; F46-A95 HydrophobicContact CD1-CB 3.7Å; F46-A95 HydrophobicContact CD2-CB 4.1Å; F46-A95 HydrophobicContact CE1-CB 4.39Å; F46-A95 HydrophobicContact CG-CB 3.53Å; F46-D98 VanDerWaalsContact CE2-OD2 3.27Å; F46-D98 WeakPolarHBondContact CE2-OD2 3.48Å
47	I	98.8	Very high	96.4	Very high	41 Å²	41	48 Å²	48	21%	0.21	26%	0.263	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-124	132.4	173.5	-55.6	175.3	0	0	0	107.3	D33 T34 R45 V49 F60	D33-I47 CarbonylContact C-O 3.57Å; D33-I47 WeakPolarHBondContact CA-O 3.38Å; T34-I47 PolarHBondContact N-O 3.36Å; T34-I47 PolarHBondContact O-N 2.93Å; R45-I47 HydrophobicContact CG-CG1 4.08Å; I47-V49 HydrophobicContact CG2-CG1 4.36Å; I47-F60 WeakPolarHBondContact CA-O 3.29Å
48	S	98.8	Very high	96.5	Very high	0 Å²	0	47.2 Å²	47.2	0%	0	26%	0.257	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-123.8	136.4	170.4	168.2	0	0	0	0	109	F32 D33 R59 F60 Y91	F32-S48 WeakPolarHBondContact O-CA 3.39Å; D33-S48 WeakPolarHBondContact OD1-CB 3.34Å; D33-S48 PolarHBondContact OD1-OG 3.39Å; D33-S48 VanDerWaalsContact OD1-OG 3.05Å; S48-R59 CarbonylContact O-C 3.52Å; S48-R59 WeakPolarHBondContact O-CA 3.23Å; S48-F60 PolarHBondContact N-O 3.41Å; S48-F60 PolarHBondContact O-N 2.93Å; S48-Y91 WeakPolarHBondContact OG-CD1 3.46Å; S48-Y91 WeakPolarHBondContact OG-CE1 3.45Å
49	V	98.8	Very high	96.6	Very high	25 Å²	25	47.4 Å²	47.4	15%	0.152	26%	0.258	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-131.1	141.8	172.1	-63.4	0	0	0	0	110.2	Y31 F32 I47 Y51 V58 R59	Y31-V49 CarbonylContact C-O 3.59Å; Y31-V49 WeakPolarHBondContact CA-O 3.35Å; F32-V49 HydrophobicContact CB-CG2 3.86Å; F32-V49 HydrophobicContact CD2-CG2 4.3Å; F32-V49 PolarHBondContact N-O 2.82Å; F32-V49 PolarHBondContact O-N 2.97Å; I47-V49 HydrophobicContact CG2-CG1 4.36Å; V49-Y51 HydrophobicContact CB-CE2 4.12Å; V49-Y51 HydrophobicContact CG2-CD2 4.4Å; V49-Y51 HydrophobicContact CG2-CE2 3.84Å; V49-V58 WeakPolarHBondContact CA-O 3.39Å; V49-R59 HydrophobicContact CG1-CB 4.49Å; V49-R59 HydrophobicContact CG1-CG 4.24Å
50	G	98.6	Very high	96.9	Very high	0 Å²	0	45 Å²	45	0%	0	24%	0.242	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-120	138.7	177.7	0	0	0	0	0	110.9	R30 Q56 F57 V58	R30-G50 CarbonylContact O-C 3.6Å; R30-G50 WeakPolarHBondContact O-CA 3.4Å; G50-Q56 WeakPolarHBondContact O-CA 3.49Å; G50-F57 WeakPolarHBondContact O-CD1 3.42Å; G50-F57 PolarHBondContact O-N 3.46Å; G50-V58 PolarHBondContact N-O 3.24Å; G50-V58 PolarHBondContact O-N 2.92Å
51	Y	98.6	Very high	97.3	Very high	68 Å²	68	41.7 Å²	41.7	27%	0.267	20%	0.203	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-125	141.8	179	-75.2	-102.8	0	0	0	110.5	M29 R30 F32 V49 T55 Q56	M29-Y51 WeakPolarHBondContact CA-O 3.46Å; R30-Y51 PolarHBondContact N-O 3.19Å; R30-Y51 PolarHBondContact O-N 2.95Å; F32-Y51 HydrophobicContact CD2-CD2 4.17Å; F32-Y51 HydrophobicContact CE2-CD2 4.16Å; V49-Y51 HydrophobicContact CB-CE2 4.12Å; V49-Y51 HydrophobicContact CG2-CD2 4.4Å; V49-Y51 HydrophobicContact CG2-CE2 3.84Å; Y51-T55 WeakPolarHBondContact CA-O 3.45Å; Y51-T55 VanDerWaalsContact CD1-C 3.49Å; Y51-Q56 HydrophobicContact CD1-CB 4Å; Y51-Q56 VanDerWaalsContact CD1-N 3.28Å; Y51-Q56 HydrophobicContact CD2-CG 4.36Å; Y51-Q56 HydrophobicContact CE1-CB 3.5Å; Y51-Q56 VanDerWaalsContact CE1-CB 3.5Å; Y51-Q56 HydrophobicContact CE1-CG 4.21Å; Y51-Q56 HydrophobicContact CE2-CB 4.08Å; Y51-Q56 HydrophobicContact CE2-CG 3.85Å; Y51-Q56 HydrophobicContact CG-CB 4.48Å
52	V	98.2	Very high	97.5	Very high	0 Å²	0	33 Å²	33	0%	0	18%	0.176	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-110	119.5	156.9	176.8	0	0	0	0	106	S28 M29 D54 T55 F57 W75 L192 Y195 L196 L203	S28-V52 CarbonylContact O-C 3.58Å; S28-V52 VanDerWaalsContact O-CA 3.31Å; S28-V52 WeakPolarHBondContact O-CA 3.36Å; M29-V52 HydrophobicContact CG-CG2 4.29Å; V52-D54 PolarHBondContact O-N 2.89Å; V52-T55 PolarHBondContact N-O 3.28Å; V52-T55 WeakPolarHBondContact O-CB 3.34Å; V52-T55 PolarHBondContact O-N 3.39Å; V52-F57 HydrophobicContact CG2-CD1 4Å; V52-F57 HydrophobicContact CG2-CE1 4.01Å; V52-W75 HydrophobicContact CB-CH2 4.36Å; V52-W75 HydrophobicContact CB-CZ2 4.45Å; V52-W75 HydrophobicContact CG2-CH2 3.86Å; V52-W75 HydrophobicContact CG2-CZ2 4.44Å; V52-L192 HydrophobicContact CG1-CD1 3.59Å; V52-L192 HydrophobicContact CG2-CD1 4.26Å; V52-Y195 HydrophobicContact CG2-CD2 3.99Å; V52-Y195 HydrophobicContact CG2-CG 4.46Å; V52-L196 HydrophobicContact CG1-CD2 4.08Å; V52-L203 HydrophobicContact CB-CD1 4.25Å; V52-L203 HydrophobicContact CB-CD2 4.14Å; V52-L203 HydrophobicContact CG1-CD1 3.85Å; V52-L203 HydrophobicContact CG1-CD2 4.07Å; V52-L203 HydrophobicContact CG1-CG 4.48Å
53	D	95.8	Very high	97.8	Very high	28 Å²	28	34 Å²	34	15%	0.15	17%	0.167	C	C	.	.	T	Hydrogen-bonded Turn	trans	48.9	-124.8	-165.9	-51.7	-39.4	0	0	0	110.2	H27 S28 T55	H27-D53 WeakPolarHBondContact CA-OD1 3.27Å; H27-D53 IonicContact CE1-OD2 3.38Å; H27-D53 IonicContact CG-OD2 3.7Å; H27-D53 IonicContact ND1-OD1 3.23Å; H27-D53 IonicContact ND1-OD2 3.23Å; H27-D53 PolarHBondContact ND1-OD2 3.47Å; S28-D53 PolarHBondContact N-OD1 2.77Å; S28-D53 PolarHBondContact O-N 2.86Å; D53-T55 VanDerWaalsContact C-N 3.35Å
54	D	95.7	Very high	98	Very high	63 Å²	63	30.9 Å²	30.9	34%	0.337	16%	0.158	S	C	.	.	T	Hydrogen-bonded Turn	trans	-92.6	8.7	178.9	-59.5	-56.8	0	0	0	113.7	V52 Y233 P234 A235 F265	V52-D54 PolarHBondContact O-N 2.89Å; D54-Y233 HydrophobicContact CB-CE2 4.09Å; D54-P234 VanDerWaalsContact OD2-CB 3.24Å; D54-P234 WeakPolarHBondContact OD2-CB 3.48Å; D54-A235 HydrophobicContact CB-CB 4.28Å; D54-A235 WeakPolarHBondContact OD2-CB 3.44Å; D54-A235 PolarHBondContact OD2-N 3.15Å; D54-F265 HydrophobicContact CB-CE2 3.76Å; D54-F265 HydrophobicContact CB-CZ 3.69Å
55	T	96.8	Very high	97.9	Very high	22 Å²	22	35 Å²	35	14%	0.135	20%	0.195	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-104	112.5	-176.9	-61.1	0	0	0	0	111.8	Y51 V52 D53 F57 A73 L203 Y233	Y51-T55 WeakPolarHBondContact CA-O 3.45Å; Y51-T55 VanDerWaalsContact CD1-C 3.49Å; V52-T55 PolarHBondContact N-O 3.28Å; V52-T55 WeakPolarHBondContact O-CB 3.34Å; V52-T55 PolarHBondContact O-N 3.39Å; D53-T55 VanDerWaalsContact C-N 3.35Å; T55-F57 PolarHBondContact O-N 2.73Å; T55-A73 HydrophobicContact CG2-CB 4.44Å; T55-L203 HydrophobicContact CG2-CD2 4.15Å; T55-Y233 PolarHBondContact OG1-OH 2.78Å
56	Q	97.7	Very high	97.8	Very high	52 Å²	52	35.6 Å²	35.6	24%	0.243	21%	0.209	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-66.3	129.1	172.7	-165.9	179.8	3.5	0	0	110.3	G50 Y51 V58 R72	G50-Q56 WeakPolarHBondContact O-CA 3.49Å; Y51-Q56 HydrophobicContact CD1-CB 4Å; Y51-Q56 VanDerWaalsContact CD1-N 3.28Å; Y51-Q56 HydrophobicContact CD2-CG 4.36Å; Y51-Q56 HydrophobicContact CE1-CB 3.5Å; Y51-Q56 VanDerWaalsContact CE1-CB 3.5Å; Y51-Q56 HydrophobicContact CE1-CG 4.21Å; Y51-Q56 HydrophobicContact CE2-CB 4.08Å; Y51-Q56 HydrophobicContact CE2-CG 3.85Å; Y51-Q56 HydrophobicContact CG-CB 4.48Å; Q56-V58 PolarHBondContact NE2-O 3.24Å; Q56-R72 HydrophobicContact CB-CB 4.49Å; Q56-R72 HydrophobicContact CG-CB 4.13Å; Q56-R72 HydrophobicContact CG-CG 4.35Å; Q56-R72 CarbonylContact O-C 3.54Å
57	F	98.2	Very high	97.7	Very high	0 Å²	0	37.2 Å²	37.2	0%	0	22%	0.22	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-120.9	-22.2	-179.7	76.1	-82.7	0	0	0	114.4	M29 Y31 G50 V52 T55 R72 A73 W75 V76 Y195	M29-F57 HydrophobicContact CG-CE1 4.41Å; M29-F57 HydrophobicContact SD-CZ 4.28Å; Y31-F57 HydrophobicContact CE1-CZ 4.13Å; Y31-F57 AromaticContact CZ-CZ 3.78Å; Y31-F57 WeakPolarHBondContact OH-CZ 3.32Å; G50-F57 WeakPolarHBondContact O-CD1 3.42Å; G50-F57 PolarHBondContact O-N 3.46Å; V52-F57 HydrophobicContact CG2-CD1 4Å; V52-F57 HydrophobicContact CG2-CE1 4.01Å; T55-F57 PolarHBondContact O-N 2.73Å; F57-R72 PolarHBondContact O-N 3.37Å; F57-A73 HydrophobicContact CB-CB 4.07Å; F57-W75 HydrophobicContact CB-CH2 3.1Å; F57-W75 HydrophobicContact CB-CZ2 3.35Å; F57-W75 HydrophobicContact CB-CZ3 3.9Å; F57-W75 HydrophobicContact CD1-CH2 4Å; F57-W75 AromaticContact CD2-CH2 3.75Å; F57-W75 HydrophobicContact CD2-CH2 3.75Å; F57-W75 AromaticContact CD2-CZ3 3.97Å; F57-W75 HydrophobicContact CD2-CZ3 3.97Å; F57-W75 AromaticContact CG-CH2 3.38Å; F57-W75 HydrophobicContact CG-CH2 3.38Å; F57-W75 HydrophobicContact CG-CZ2 4.09Å; F57-W75 HydrophobicContact CG-CZ3 4.07Å; F57-V76 HydrophobicContact CB-CG1 4.38Å; F57-V76 HydrophobicContact CD2-CB 4.35Å; F57-V76 HydrophobicContact CD2-CG1 4.46Å; F57-V76 HydrophobicContact CD2-CG2 4.1Å; F57-V76 VanDerWaalsContact O-CG1 3.26Å; F57-V76 WeakPolarHBondContact O-CG1 3.38Å; F57-Y195 HydrophobicContact CD2-CE2 4.46Å; F57-Y195 HydrophobicContact CE2-CD2 4.26Å; F57-Y195 AromaticContact CE2-CE2 3.63Å; F57-Y195 HydrophobicContact CE2-CE2 3.63Å; F57-Y195 AromaticContact CE2-CZ 3.81Å; F57-Y195 HydrophobicContact CZ-CD2 4.32Å; F57-Y195 AromaticContact CZ-CE2 3.79Å; F57-Y195 HydrophobicContact CZ-CE2 3.79Å
58	V	98.3	Very high	97.7	Very high	0 Å²	0	42.4 Å²	42.4	0%	0	24%	0.237	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-139	152.4	177	-73.5	0	0	0	0	112.5	Y31 V49 G50 Q56 E70 W84 Y91	Y31-V58 HydrophobicContact CE1-CG2 3.97Å; V49-V58 WeakPolarHBondContact CA-O 3.39Å; G50-V58 PolarHBondContact N-O 3.24Å; G50-V58 PolarHBondContact O-N 2.92Å; Q56-V58 PolarHBondContact NE2-O 3.24Å; V58-E70 WeakPolarHBondContact CA-O 3.4Å; V58-W84 HydrophobicContact CG1-CH2 3.93Å; V58-W84 HydrophobicContact CG1-CZ3 3.86Å; V58-Y91 WeakPolarHBondContact CG2-OH 3.48Å
59	R	98.4	Very high	97.6	Very high	73 Å²	73	42.7 Å²	42.7	28%	0.275	24%	0.24	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-141.4	145.4	170.7	-179.9	176.3	171.9	122.7	3.6	110.7	S48 V49 D61 E70 R72	S48-R59 CarbonylContact O-C 3.52Å; S48-R59 WeakPolarHBondContact O-CA 3.23Å; V49-R59 HydrophobicContact CG1-CB 4.49Å; V49-R59 HydrophobicContact CG1-CG 4.24Å; R59-D61 IonicContact CZ-OD2 3.66Å; R59-D61 IonicContact NH2-OD2 2.79Å; R59-D61 PolarHBondContact NH2-OD2 3.02Å; R59-E70 PolarHBondContact N-O 3.41Å; R59-E70 PolarHBondContact O-N 2.87Å; R59-R72 HydrophobicContact CB-CG 3.92Å
60	F	98.8	Very high	97.6	Very high	3 Å²	3	44.3 Å²	44.3	1%	0.013	25%	0.246	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-132.3	143	164.6	177.4	-85.4	0	0	0	109.3	F46 I47 S48 P67 Y91 K92	F46-F60 AromaticContact CD1-CD1 3.69Å; F46-F60 HydrophobicContact CD1-CD1 3.69Å; F46-F60 AromaticContact CD1-CE1 3.79Å; F46-F60 HydrophobicContact CD1-CE1 3.79Å; F46-F60 AromaticContact CE1-CD1 3.95Å; F46-F60 HydrophobicContact CE1-CD1 3.95Å; F46-F60 HydrophobicContact CE1-CE1 4.34Å; I47-F60 WeakPolarHBondContact CA-O 3.29Å; S48-F60 PolarHBondContact N-O 3.41Å; S48-F60 PolarHBondContact O-N 2.93Å; F60-P67 HydrophobicContact CE2-CB 3.85Å; F60-P67 HydrophobicContact CZ-CB 3.67Å; F60-Y91 HydrophobicContact CB-CD1 4.24Å; F60-Y91 HydrophobicContact CB-CD2 3.57Å; F60-Y91 HydrophobicContact CB-CE2 4.02Å; F60-Y91 HydrophobicContact CB-CG 3.7Å; F60-Y91 HydrophobicContact CD1-CG 4.38Å; F60-Y91 AromaticContact CD2-CD2 3.68Å; F60-Y91 HydrophobicContact CD2-CD2 3.68Å; F60-Y91 AromaticContact CD2-CG 3.94Å; F60-Y91 HydrophobicContact CD2-CG 3.94Å; F60-Y91 AromaticContact CG-CD2 3.8Å; F60-Y91 HydrophobicContact CG-CD2 3.8Å; F60-Y91 AromaticContact CG-CG 3.75Å; F60-Y91 HydrophobicContact CG-CG 3.75Å; F60-K92 HydrophobicContact CE2-CG 4.36Å; F60-K92 HydrophobicContact CZ-CG 4.14Å
61	D	98.6	Very high	97.5	Very high	18 Å²	18	46.6 Å²	46.6	10%	0.096	26%	0.261	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-140.3	119.8	177	-161.8	-29.5	0	0	0	109.5	R45 R59 D63 A64	R45-D61 IonicContact CZ-OD1 2.98Å; R45-D61 IonicContact CZ-OD2 2.76Å; R45-D61 IonicContact NE-OD1 3.42Å; R45-D61 PolarHBondContact NE-OD1 3.3Å; R45-D61 IonicContact NE-OD2 2.77Å; R45-D61 IonicContact NH2-OD1 3.01Å; R45-D61 PolarHBondContact NH2-OD1 2.92Å; R45-D61 IonicContact NH2-OD2 3.67Å; R45-D61 PolarHBondContact NH2-OD2 2.97Å; R59-D61 IonicContact CZ-OD2 3.66Å; R59-D61 IonicContact NH2-OD2 2.79Å; R59-D61 PolarHBondContact NH2-OD2 3.02Å; D61-D63 PolarHBondContact O-N 3.04Å; D61-D63 PolarHBondContact OD1-N 2.98Å; D61-A64 HydrophobicContact CB-CB 4.42Å; D61-A64 WeakPolarHBondContact O-CB 3.17Å; D61-A64 PolarHBondContact O-N 3.34Å
62	S	98.3	Very high	97.5	Very high	37 Å²	37	49 Å²	49	26%	0.259	27%	0.27	S	S	.	.	T	Hydrogen-bonded Turn	trans	-66.4	-23	-179.2	66.4	0	0	0	0	113.3	R45 F46 A64 P67	R45-S62 WeakPolarHBondContact CA-OG 3.08Å; F46-S62 PolarHBondContact N-OG 3.01Å; F46-S62 PolarHBondContact O-N 3.48Å; F46-S62 PolarHBondContact O-OG 3.37Å; S62-A64 VanDerWaalsContact C-N 3.32Å; S62-P67 WeakPolarHBondContact O-CG 3.4Å
63	D	97.4	Very high	97.4	Very high	84 Å²	84	49.2 Å²	49.2	45%	0.449	27%	0.271	S	S	.	.	T	Hydrogen-bonded Turn	trans	-85.6	-4.5	179.9	-75.1	9.2	0	0	0	112.4	R38 R45 D61	R38-D63 IonicContact CZ-OD2 2.8Å; R38-D63 IonicContact NH1-OD1 3.34Å; R38-D63 IonicContact NH1-OD2 3.47Å; R38-D63 PolarHBondContact NH1-OD2 3.45Å; R38-D63 IonicContact NH2-OD2 3.81Å; R38-D63 PolarHBondContact NH2-OD2 2.94Å; R45-D63 VanDerWaalsContact CD-OD2 3.29Å; R45-D63 WeakPolarHBondContact CD-OD2 3.26Å; R45-D63 HydrophobicContact CG-CB 4.5Å; R45-D63 IonicContact NE-OD2 3.78Å; D61-D63 PolarHBondContact O-N 3.04Å; D61-D63 PolarHBondContact OD1-N 2.98Å
64	A	97.3	Very high	97.4	Very high	33 Å²	33	52.9 Å²	52.9	27%	0.273	30%	0.296	S	S	.	.	S	Bend	trans	-62.8	148.7	175.1	0	0	0	0	0	110.9	D61 S62 S66 P67	D61-A64 HydrophobicContact CB-CB 4.42Å; D61-A64 WeakPolarHBondContact O-CB 3.17Å; D61-A64 PolarHBondContact O-N 3.34Å; S62-A64 VanDerWaalsContact C-N 3.32Å; A64-S66 PolarHBondContact O-N 2.93Å; A64-S66 VanDerWaalsContact O-N 3.15Å; A64-P67 WeakPolarHBondContact O-CD 3.37Å; A64-P67 VanDerWaalsContact O-CG 3.28Å; A64-P67 WeakPolarHBondContact O-CG 3.17Å
65	A	96.8	Very high	97.4	Very high	116 Å²	116	50.5 Å²	50.5	96%	0.959	28%	0.283	S	S	*	.	S	Bend	trans	-58.8	-30.8	179.5	0	0	0	0	0	113.1
66	S	96	Very high	97.4	Very high	81 Å²	81	49.5 Å²	49.5	57%	0.566	28%	0.276	S	S	*	.	S	Bend	trans	-133.8	89.2	171.5	-173.5	0	0	0	0	109.1	A64 R68	A64-S66 PolarHBondContact O-N 2.93Å; A64-S66 VanDerWaalsContact O-N 3.15Å; S66-R68 PolarHBondContact O-N 2.67Å; S66-R68 VanDerWaalsContact O-N 3.08Å
67	P	97	Very high	97.3	Very high	37 Å²	37	52.9 Å²	52.9	24%	0.24	29%	0.292	C	S	.	.			trans	-64.6	110.8	-175.4	-23.7	35.1	0	0	0	112	F60 S62 A64 K92	F60-P67 HydrophobicContact CE2-CB 3.85Å; F60-P67 HydrophobicContact CZ-CB 3.67Å; S62-P67 WeakPolarHBondContact O-CG 3.4Å; A64-P67 WeakPolarHBondContact O-CD 3.37Å; A64-P67 VanDerWaalsContact O-CG 3.28Å; A64-P67 WeakPolarHBondContact O-CG 3.17Å; P67-K92 VanDerWaalsContact O-CE 3.28Å; P67-K92 WeakPolarHBondContact O-CE 3.21Å; P67-K92 PolarHBondContact O-NZ 3.37Å
68	R	97.8	Very high	97.2	Very high	151 Å²	151	58.8 Å²	58.8	57%	0.57	32%	0.32	S	S	*	.			trans	-146.7	160.5	177	64	-177	173.9	175.1	-0.3	110.8	S66 E70 T88	S66-R68 PolarHBondContact O-N 2.67Å; S66-R68 VanDerWaalsContact O-N 3.08Å; R68-E70 HydrophobicContact CG-CG 4.4Å; R68-E70 PolarHBondContact O-N 2.96Å; R68-T88 HydrophobicContact CB-CG2 4.19Å
69	G	97.3	Very high	97.1	Very high	6 Å²	6	59.3 Å²	59.3	6%	0.062	32%	0.323	C	S	.	.			trans	-64.4	129.5	168.8	0	0	0	0	0	109.8	T88	G69-T88 PolarHBondContact N-OG1 3.11Å
70	E	97.7	Very high	97	Very high	58 Å²	58	57.6 Å²	57.6	27%	0.271	33%	0.327	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-116.9	133.5	-179	-64.6	178.5	161.8	0	0	110.1	V58 R59 R68 R72	V58-E70 WeakPolarHBondContact CA-O 3.4Å; R59-E70 PolarHBondContact N-O 3.41Å; R59-E70 PolarHBondContact O-N 2.87Å; R68-E70 HydrophobicContact CG-CG 4.4Å; R68-E70 PolarHBondContact O-N 2.96Å; E70-R72 IonicContact OE2-CZ 3.54Å; E70-R72 IonicContact OE2-NH2 2.7Å; E70-R72 PolarHBondContact OE2-NH2 3.25Å
71	P	97.9	Very high	96.9	Very high	49 Å²	49	62.1 Å²	62.1	32%	0.318	36%	0.357	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-66.5	143.8	172.7	28.5	-33.6	0	0	0	110.7	V76 E77 W84	P71-V76 HydrophobicContact CB-CG1 3.8Å; P71-E77 HydrophobicContact CB-CG 3.68Å; P71-E77 HydrophobicContact CG-CG 3.92Å; P71-W84 HydrophobicContact CB-CH2 3.62Å; P71-W84 HydrophobicContact CB-CZ2 3.8Å; P71-W84 HydrophobicContact CG-CH2 4.23Å; P71-W84 HydrophobicContact CG-CZ2 4.24Å
72	R	97.4	Very high	96.9	Very high	119 Å²	119	69 Å²	69	45%	0.449	39%	0.389	S	S	.	.			trans	-125.6	-1.6	174.6	-60.3	-64.3	171.5	178.5	-1.8	113	Q56 F57 R59 E70	Q56-R72 HydrophobicContact CB-CB 4.49Å; Q56-R72 HydrophobicContact CG-CB 4.13Å; Q56-R72 HydrophobicContact CG-CG 4.35Å; Q56-R72 CarbonylContact O-C 3.54Å; F57-R72 PolarHBondContact O-N 3.37Å; R59-R72 HydrophobicContact CB-CG 3.92Å; E70-R72 IonicContact OE2-CZ 3.54Å; E70-R72 IonicContact OE2-NH2 2.7Å; E70-R72 PolarHBondContact OE2-NH2 3.25Å
73	A	96.2	Very high	96.8	Very high	4 Å²	4	67.6 Å²	67.6	3%	0.033	38%	0.378	C	S	.	.	S	Bend	trans	-137.1	143	173.5	0	0	0	0	0	111.2	T55 F57 W75 V76	T55-A73 HydrophobicContact CG2-CB 4.44Å; F57-A73 HydrophobicContact CB-CB 4.07Å; A73-W75 VanDerWaalsContact C-N 3.26Å; A73-W75 HydrophobicContact CB-CD2 4.13Å; A73-W75 HydrophobicContact CB-CG 4.36Å; A73-W75 HydrophobicContact CB-CZ2 3.96Å; A73-W75 PolarHBondContact O-N 2.96Å; A73-V76 VanDerWaalsContact O-CG1 3.23Å; A73-V76 WeakPolarHBondContact O-CG1 3.45Å; A73-V76 PolarHBondContact O-N 2.92Å
74	P	96.1	Very high	96.8	Very high	104 Å²	104	65.4 Å²	65.4	68%	0.675	36%	0.363	S	S	*	.	H	α-helix	trans	-58.7	-34.2	-177.1	-26.7	34.8	0	0	0	114.2	V76 E77	P74-V76 VanDerWaalsContact C-N 3.26Å; P74-V76 PolarHBondContact O-N 2.61Å; P74-E77 WeakPolarHBondContact O-CB 3.4Å; P74-E77 PolarHBondContact O-N 2.96Å
75	W	95.9	Very high	96.9	Very high	14 Å²	14	69 Å²	69	5%	0.053	38%	0.378	C	S	.	.	H	α-helix	trans	-72.7	-13.4	-176	52.9	-105.9	0	0	0	114.3	V52 F57 A73 Q78 Y195 N198 L203	V52-W75 HydrophobicContact CB-CH2 4.36Å; V52-W75 HydrophobicContact CB-CZ2 4.45Å; V52-W75 HydrophobicContact CG2-CH2 3.86Å; V52-W75 HydrophobicContact CG2-CZ2 4.44Å; F57-W75 HydrophobicContact CB-CH2 3.1Å; F57-W75 HydrophobicContact CB-CZ2 3.35Å; F57-W75 HydrophobicContact CB-CZ3 3.9Å; F57-W75 HydrophobicContact CD1-CH2 4Å; F57-W75 AromaticContact CD2-CH2 3.75Å; F57-W75 HydrophobicContact CD2-CH2 3.75Å; F57-W75 AromaticContact CD2-CZ3 3.97Å; F57-W75 HydrophobicContact CD2-CZ3 3.97Å; F57-W75 AromaticContact CG-CH2 3.38Å; F57-W75 HydrophobicContact CG-CH2 3.38Å; F57-W75 HydrophobicContact CG-CZ2 4.09Å; F57-W75 HydrophobicContact CG-CZ3 4.07Å; A73-W75 VanDerWaalsContact C-N 3.26Å; A73-W75 HydrophobicContact CB-CD2 4.13Å; A73-W75 HydrophobicContact CB-CG 4.36Å; A73-W75 HydrophobicContact CB-CZ2 3.96Å; A73-W75 PolarHBondContact O-N 2.96Å; W75-Q78 WeakPolarHBondContact O-CG 3.41Å; W75-Y195 HydrophobicContact CE3-CD1 4.23Å; W75-Y195 HydrophobicContact CE3-CG 4.48Å; W75-Y195 HydrophobicContact CH2-CG 4.18Å; W75-Y195 AromaticContact CZ3-CD1 3.59Å; W75-Y195 HydrophobicContact CZ3-CD1 3.59Å; W75-Y195 HydrophobicContact CZ3-CD2 4.33Å; W75-Y195 HydrophobicContact CZ3-CE1 4.32Å; W75-Y195 AromaticContact CZ3-CG 3.6Å; W75-Y195 HydrophobicContact CZ3-CG 3.6Å; W75-N198 HydrophobicContact CB-CB 4.43Å; W75-L203 HydrophobicContact CD2-CD1 4.43Å; W75-L203 HydrophobicContact CH2-CD1 4.36Å; W75-L203 HydrophobicContact CZ2-CD1 3.85Å; W75-L203 HydrophobicContact CZ2-CD2 4.1Å; W75-L203 HydrophobicContact CZ2-CG 4.38Å
76	V	97.2	Very high	96.9	Very high	0 Å²	0	68.3 Å²	68.3	0%	0	35%	0.35	C	S	.	.	H	α-helix	trans	-95.2	-16.7	172.2	72.3	0	0	0	0	112.1	F57 P71 A73 P74 Q78 E79 Y83 W84 Y195	F57-V76 HydrophobicContact CB-CG1 4.38Å; F57-V76 HydrophobicContact CD2-CB 4.35Å; F57-V76 HydrophobicContact CD2-CG1 4.46Å; F57-V76 HydrophobicContact CD2-CG2 4.1Å; F57-V76 VanDerWaalsContact O-CG1 3.26Å; F57-V76 WeakPolarHBondContact O-CG1 3.38Å; P71-V76 HydrophobicContact CB-CG1 3.8Å; A73-V76 VanDerWaalsContact O-CG1 3.23Å; A73-V76 WeakPolarHBondContact O-CG1 3.45Å; A73-V76 PolarHBondContact O-N 2.92Å; P74-V76 VanDerWaalsContact C-N 3.26Å; P74-V76 PolarHBondContact O-N 2.61Å; V76-Q78 PolarHBondContact O-N 2.94Å; V76-E79 HydrophobicContact CG2-CG 3.91Å; V76-E79 WeakPolarHBondContact O-CB 3.5Å; V76-E79 WeakPolarHBondContact O-CG 3.45Å; V76-E79 PolarHBondContact O-N 3.06Å; V76-Y83 HydrophobicContact CG2-CE1 4.07Å; V76-W84 HydrophobicContact CG1-CH2 4.06Å; V76-W84 HydrophobicContact CG1-CZ2 4.29Å; V76-W84 HydrophobicContact CG2-CH2 3.98Å; V76-W84 HydrophobicContact CG2-CZ2 4.03Å; V76-W84 WeakPolarHBondContact O-CZ2 3.23Å; V76-Y195 HydrophobicContact CG2-CE1 4.34Å
77	E	95.7	Very high	97	Very high	123 Å²	123	64.8 Å²	64.8	58%	0.575	33%	0.325	S	S	*	.	H	α-helix	trans	-62.5	-25.8	179.4	-66.4	179.6	-174.5	0	0	112.9	P71 P74 E79	P71-E77 HydrophobicContact CB-CG 3.68Å; P71-E77 HydrophobicContact CG-CG 3.92Å; P74-E77 WeakPolarHBondContact O-CB 3.4Å; P74-E77 PolarHBondContact O-N 2.96Å; E77-E79 PolarHBondContact O-N 3.13Å
78	Q	94.9	Very high	97.1	Very high	124 Å²	124	63.6 Å²	63.6	58%	0.579	32%	0.317	S	S	*	.	T	Hydrogen-bonded Turn	trans	-71.2	-11.3	175.7	67	179.9	16.2	0	0	114	W75 V76 N198	W75-Q78 WeakPolarHBondContact O-CG 3.41Å; V76-Q78 PolarHBondContact O-N 2.94Å; Q78-N198 VanDerWaalsContact NE2-CB 3.29Å; Q78-N198 PolarHBondContact NE2-ND2 2.76Å; Q78-N198 PolarHBondContact NE2-OD1 3.41Å; Q78-N198 VanDerWaalsContact NE2-OD1 3.14Å
79	E	96.8	Very high	97.1	Very high	12 Å²	12	61.4 Å²	61.4	6%	0.056	31%	0.313	C	S	.	.	S	Bend	trans	-66.4	136.8	174.9	-65.3	-62	162.4	0	0	110.8	V76 E77 Y83 W84 R194 N198	V76-E79 HydrophobicContact CG2-CG 3.91Å; V76-E79 WeakPolarHBondContact O-CB 3.5Å; V76-E79 WeakPolarHBondContact O-CG 3.45Å; V76-E79 PolarHBondContact O-N 3.06Å; E77-E79 PolarHBondContact O-N 3.13Å; E79-Y83 HydrophobicContact CB-CD1 3.52Å; E79-Y83 HydrophobicContact CB-CD2 4.47Å; E79-Y83 HydrophobicContact CB-CE1 4.12Å; E79-Y83 HydrophobicContact CB-CG 3.73Å; E79-Y83 HydrophobicContact CG-CD1 4.08Å; E79-Y83 HydrophobicContact CG-CD2 4.45Å; E79-Y83 HydrophobicContact CG-CE1 4.28Å; E79-Y83 HydrophobicContact CG-CG 4.17Å; E79-W84 PolarHBondContact O-NE1 3.09Å; E79-R194 IonicContact OE1-CZ 3.8Å; E79-R194 IonicContact OE1-NE 2.67Å; E79-R194 PolarHBondContact OE1-NE 2.76Å; E79-R194 IonicContact OE1-NH2 2.8Å; E79-R194 PolarHBondContact OE1-NH2 2.81Å; E79-R194 IonicContact OE2-CZ 3.65Å; E79-R194 IonicContact OE2-NE 3.02Å; E79-R194 IonicContact OE2-NH2 3.52Å; E79-R194 PolarHBondContact OE2-NH2 2.88Å; E79-N198 PolarHBondContact OE1-ND2 3.13Å
80	G	96	Very high	97.1	Very high	36 Å²	36	64.3 Å²	64.3	37%	0.371	32%	0.324	S	S	.	.			trans	-70.7	170.4	-174.2	0	0	0	0	0	114.4	E82 Y83 W84	G80-E82 PolarHBondContact O-N 2.81Å; G80-Y83 WeakPolarHBondContact O-CB 3.08Å; G80-Y83 PolarHBondContact O-N 2.93Å; G80-W84 PolarHBondContact O-N 2.94Å
81	P	96.9	Very high	97.1	Very high	99 Å²	99	61.8 Å²	61.8	64%	0.643	31%	0.312	S	S	*	.	H	α-helix	trans	-57.6	-35.8	-178.9	22.8	-33.5	0	0	0	113.2	Y83 W84 D85	P81-Y83 VanDerWaalsContact C-N 3.26Å; P81-Y83 PolarHBondContact O-N 2.99Å; P81-W84 PolarHBondContact O-N 2.92Å; P81-W84 VanDerWaalsContact O-N 3.14Å; P81-D85 WeakPolarHBondContact O-CB 3.25Å; P81-D85 PolarHBondContact O-N 3.02Å
82	E	97.4	Very high	97.1	Very high	163 Å²	163	63.7 Å²	63.7	76%	0.762	32%	0.315	S	S	*	.	H	α-helix	trans	-60.2	-35.1	177.9	-63.2	178.4	-179.8	0	0	113	G80 R86	G80-E82 PolarHBondContact O-N 2.81Å; E82-R86 VanDerWaalsContact O-CB 3.23Å; E82-R86 WeakPolarHBondContact O-CB 3.36Å; E82-R86 PolarHBondContact O-N 2.91Å
83	Y	97.5	Very high	97.2	Very high	7 Å²	7	65.8 Å²	65.8	3%	0.027	32%	0.323	C	S	.	.	H	α-helix	trans	-65	-52.2	174.2	168.5	-92	0	0	0	110	V76 E79 G80 P81 D85 R86 E87 W191 Y195	V76-Y83 HydrophobicContact CG2-CE1 4.07Å; E79-Y83 HydrophobicContact CB-CD1 3.52Å; E79-Y83 HydrophobicContact CB-CD2 4.47Å; E79-Y83 HydrophobicContact CB-CE1 4.12Å; E79-Y83 HydrophobicContact CB-CG 3.73Å; E79-Y83 HydrophobicContact CG-CD1 4.08Å; E79-Y83 HydrophobicContact CG-CD2 4.45Å; E79-Y83 HydrophobicContact CG-CE1 4.28Å; E79-Y83 HydrophobicContact CG-CG 4.17Å; G80-Y83 WeakPolarHBondContact O-CB 3.08Å; G80-Y83 PolarHBondContact O-N 2.93Å; P81-Y83 VanDerWaalsContact C-N 3.26Å; P81-Y83 PolarHBondContact O-N 2.99Å; Y83-D85 VanDerWaalsContact C-N 3.35Å; Y83-D85 PolarHBondContact O-N 3.08Å; Y83-R86 PolarHBondContact O-N 3.15Å; Y83-E87 HydrophobicContact CD1-CG 4.37Å; Y83-E87 HydrophobicContact CD2-CG 4.15Å; Y83-E87 HydrophobicContact CE1-CG 3.98Å; Y83-E87 HydrophobicContact CE2-CG 3.71Å; Y83-E87 HydrophobicContact CG-CG 4.44Å; Y83-E87 WeakPolarHBondContact O-CG 3.34Å; Y83-E87 PolarHBondContact O-N 2.8Å; Y83-W191 AromaticContact CD2-CH2 3.53Å; Y83-W191 HydrophobicContact CD2-CH2 3.53Å; Y83-W191 HydrophobicContact CD2-CZ2 4.25Å; Y83-W191 AromaticContact CD2-CZ3 3.74Å; Y83-W191 HydrophobicContact CD2-CZ3 3.74Å; Y83-W191 HydrophobicContact CE2-CE3 4.22Å; Y83-W191 AromaticContact CE2-CH2 3.93Å; Y83-W191 HydrophobicContact CE2-CH2 3.93Å; Y83-W191 AromaticContact CE2-CZ3 3.73Å; Y83-W191 HydrophobicContact CE2-CZ3 3.73Å; Y83-Y195 WeakPolarHBondContact CE2-OH 3.38Å; Y83-Y195 PolarHBondContact OH-OH 2.69Å
84	W	98	Very high	97.3	Very high	38 Å²	38	67.5 Å²	67.5	14%	0.144	33%	0.331	C	S	.	.	H	α-helix	trans	-64.2	-38.1	-177.6	-67.1	111.7	0	0	0	113.1	V58 P71 V76 E79 G80 P81 T88	V58-W84 HydrophobicContact CG1-CH2 3.93Å; V58-W84 HydrophobicContact CG1-CZ3 3.86Å; P71-W84 HydrophobicContact CB-CH2 3.62Å; P71-W84 HydrophobicContact CB-CZ2 3.8Å; P71-W84 HydrophobicContact CG-CH2 4.23Å; P71-W84 HydrophobicContact CG-CZ2 4.24Å; V76-W84 HydrophobicContact CG1-CH2 4.06Å; V76-W84 HydrophobicContact CG1-CZ2 4.29Å; V76-W84 HydrophobicContact CG2-CH2 3.98Å; V76-W84 HydrophobicContact CG2-CZ2 4.03Å; V76-W84 WeakPolarHBondContact O-CZ2 3.23Å; E79-W84 PolarHBondContact O-NE1 3.09Å; G80-W84 PolarHBondContact O-N 2.94Å; P81-W84 PolarHBondContact O-N 2.92Å; P81-W84 VanDerWaalsContact O-N 3.14Å; W84-T88 WeakPolarHBondContact O-CB 3.24Å; W84-T88 PolarHBondContact O-N 2.93Å; W84-T88 PolarHBondContact O-OG1 2.88Å
85	D	97.9	Very high	97.4	Very high	108 Å²	108	63.7 Å²	63.7	58%	0.578	31%	0.308	S	S	*	.	H	α-helix	trans	-64.7	-47.1	174.6	-74.7	-22.4	0	0	0	110.7	P81 Y83 T88 Q89	P81-D85 WeakPolarHBondContact O-CB 3.25Å; P81-D85 PolarHBondContact O-N 3.02Å; Y83-D85 VanDerWaalsContact C-N 3.35Å; Y83-D85 PolarHBondContact O-N 3.08Å; D85-T88 PolarHBondContact O-N 3.18Å; D85-Q89 VanDerWaalsContact O-CG 3.31Å; D85-Q89 WeakPolarHBondContact O-CG 3.5Å; D85-Q89 PolarHBondContact O-N 3.46Å
86	R	97.5	Very high	97.5	Very high	102 Å²	102	69.8 Å²	69.8	39%	0.385	34%	0.337	S	S	.	.	H	α-helix	trans	-62.1	-47	178.3	-176.7	-179.4	64.3	-137.3	-5.7	112.1	E82 Y83 Q89 K90	E82-R86 VanDerWaalsContact O-CB 3.23Å; E82-R86 WeakPolarHBondContact O-CB 3.36Å; E82-R86 PolarHBondContact O-N 2.91Å; Y83-R86 PolarHBondContact O-N 3.15Å; R86-Q89 PolarHBondContact O-N 3.3Å; R86-K90 WeakPolarHBondContact O-CG 3.35Å; R86-K90 PolarHBondContact O-N 2.79Å
87	E	97.7	Very high	97.5	Very high	7 Å²	7	71.8 Å²	71.8	3%	0.033	35%	0.353	C	S	.	.	H	α-helix	trans	-65.3	-42.1	178.5	-65.2	-44.5	116.5	0	0	111	Y83 Q89 K90 Y91	Y83-E87 HydrophobicContact CD1-CG 4.37Å; Y83-E87 HydrophobicContact CD2-CG 4.15Å; Y83-E87 HydrophobicContact CE1-CG 3.98Å; Y83-E87 HydrophobicContact CE2-CG 3.71Å; Y83-E87 HydrophobicContact CG-CG 4.44Å; Y83-E87 WeakPolarHBondContact O-CG 3.34Å; Y83-E87 PolarHBondContact O-N 2.8Å; E87-Q89 VanDerWaalsContact C-N 3.3Å; E87-Q89 PolarHBondContact O-N 2.93Å; E87-K90 WeakPolarHBondContact O-CB 3.37Å; E87-K90 PolarHBondContact O-N 3.2Å; E87-K90 VanDerWaalsContact O-N 3.08Å; E87-K90 IonicContact OE1-NZ 3.31Å; E87-K90 PolarHBondContact OE1-NZ 3.45Å; E87-K90 WeakPolarHBondContact OE2-CD 3.03Å; E87-K90 IonicContact OE2-NZ 3.66Å; E87-K90 PolarHBondContact OE2-NZ 3.43Å; E87-Y91 HydrophobicContact CB-CE2 3.98Å; E87-Y91 WeakPolarHBondContact O-CD2 3.45Å; E87-Y91 PolarHBondContact O-N 3.18Å
88	T	98.4	Very high	97.6	Very high	12 Å²	12	66 Å²	66	7%	0.074	33%	0.326	C	S	.	.	H	α-helix	trans	-57.2	-42.8	174	-63.8	0	0	0	0	112.1	R68 G69 W84 D85 Y91 K92	R68-T88 HydrophobicContact CB-CG2 4.19Å; G69-T88 PolarHBondContact N-OG1 3.11Å; W84-T88 WeakPolarHBondContact O-CB 3.24Å; W84-T88 PolarHBondContact O-N 2.93Å; W84-T88 PolarHBondContact O-OG1 2.88Å; D85-T88 PolarHBondContact O-N 3.18Å; T88-Y91 PolarHBondContact O-N 3.25Å; T88-K92 HydrophobicContact CG2-CD 4.18Å; T88-K92 WeakPolarHBondContact O-CG 3.39Å; T88-K92 PolarHBondContact O-N 2.86Å
89	Q	98.3	Very high	97.7	Very high	104 Å²	104	64.5 Å²	64.5	49%	0.486	32%	0.315	S	S	.	.	H	α-helix	trans	-68.9	-33.1	176.8	-68.5	-59.7	-27.4	0	0	112.8	D85 R86 E87 R93	D85-Q89 VanDerWaalsContact O-CG 3.31Å; D85-Q89 WeakPolarHBondContact O-CG 3.5Å; D85-Q89 PolarHBondContact O-N 3.46Å; R86-Q89 PolarHBondContact O-N 3.3Å; E87-Q89 VanDerWaalsContact C-N 3.3Å; E87-Q89 PolarHBondContact O-N 2.93Å; Q89-R93 WeakPolarHBondContact O-CB 3.13Å; Q89-R93 WeakPolarHBondContact O-CG 3.41Å; Q89-R93 PolarHBondContact O-N 2.83Å; Q89-R93 PolarHBondContact O-NE 3.05Å
90	K	97.5	Very high	97.8	Very high	68 Å²	68	67.4 Å²	67.4	30%	0.296	33%	0.334	S	S	.	.	H	α-helix	trans	-63.4	-50	172	-72.7	173	179.1	172.4	0	110.9	R86 E87 K92 R93 Q94	R86-K90 WeakPolarHBondContact O-CG 3.35Å; R86-K90 PolarHBondContact O-N 2.79Å; E87-K90 WeakPolarHBondContact O-CB 3.37Å; E87-K90 PolarHBondContact O-N 3.2Å; E87-K90 VanDerWaalsContact O-N 3.08Å; E87-K90 IonicContact OE1-NZ 3.31Å; E87-K90 PolarHBondContact OE1-NZ 3.45Å; E87-K90 WeakPolarHBondContact OE2-CD 3.03Å; E87-K90 IonicContact OE2-NZ 3.66Å; E87-K90 PolarHBondContact OE2-NZ 3.43Å; K90-K92 VanDerWaalsContact C-N 3.33Å; K90-K92 PolarHBondContact O-N 3.21Å; K90-R93 PolarHBondContact O-N 2.81Å; K90-R93 VanDerWaalsContact O-N 3.15Å; K90-Q94 PolarHBondContact O-N 3.3Å
91	Y	98.4	Very high	97.9	Very high	5 Å²	5	68.2 Å²	68.2	2%	0.02	33%	0.329	C	S	.	.	H	α-helix	trans	-59	-42.4	178.1	-60.6	-48.3	0	0	0	112.4	S48 V58 F60 E87 T88 R93 Q94 A95	S48-Y91 WeakPolarHBondContact OG-CD1 3.46Å; S48-Y91 WeakPolarHBondContact OG-CE1 3.45Å; V58-Y91 WeakPolarHBondContact CG2-OH 3.48Å; F60-Y91 HydrophobicContact CB-CD1 4.24Å; F60-Y91 HydrophobicContact CB-CD2 3.57Å; F60-Y91 HydrophobicContact CB-CE2 4.02Å; F60-Y91 HydrophobicContact CB-CG 3.7Å; F60-Y91 HydrophobicContact CD1-CG 4.38Å; F60-Y91 AromaticContact CD2-CD2 3.68Å; F60-Y91 HydrophobicContact CD2-CD2 3.68Å; F60-Y91 AromaticContact CD2-CG 3.94Å; F60-Y91 HydrophobicContact CD2-CG 3.94Å; F60-Y91 AromaticContact CG-CD2 3.8Å; F60-Y91 HydrophobicContact CG-CD2 3.8Å; F60-Y91 AromaticContact CG-CG 3.75Å; F60-Y91 HydrophobicContact CG-CG 3.75Å; E87-Y91 HydrophobicContact CB-CE2 3.98Å; E87-Y91 WeakPolarHBondContact O-CD2 3.45Å; E87-Y91 PolarHBondContact O-N 3.18Å; T88-Y91 PolarHBondContact O-N 3.25Å; Y91-R93 PolarHBondContact O-N 2.86Å; Y91-Q94 PolarHBondContact O-N 2.66Å; Y91-A95 WeakPolarHBondContact O-CB 3.42Å; Y91-A95 PolarHBondContact O-N 2.83Å
92	K	98.3	Very high	97.9	Very high	88 Å²	88	63.9 Å²	63.9	38%	0.383	30%	0.301	S	S	.	.	H	α-helix	trans	-63.4	-39.6	176.6	-74.1	178.2	178.7	178	0	112.8	F60 P67 T88 K90 Q96	F60-K92 HydrophobicContact CE2-CG 4.36Å; F60-K92 HydrophobicContact CZ-CG 4.14Å; P67-K92 VanDerWaalsContact O-CE 3.28Å; P67-K92 WeakPolarHBondContact O-CE 3.21Å; P67-K92 PolarHBondContact O-NZ 3.37Å; T88-K92 HydrophobicContact CG2-CD 4.18Å; T88-K92 WeakPolarHBondContact O-CG 3.39Å; T88-K92 PolarHBondContact O-N 2.86Å; K90-K92 VanDerWaalsContact C-N 3.33Å; K90-K92 PolarHBondContact O-N 3.21Å; K92-Q96 PolarHBondContact O-N 2.99Å
93	R	98.3	Very high	97.9	Very high	164 Å²	164	63.1 Å²	63.1	62%	0.619	29%	0.291	S	S	*	.	H	α-helix	trans	-67	-43.1	175.1	-75.7	-174.2	-67.3	167.3	-0.1	111.7	Q89 K90 Y91 Q96 A97	Q89-R93 WeakPolarHBondContact O-CB 3.13Å; Q89-R93 WeakPolarHBondContact O-CG 3.41Å; Q89-R93 PolarHBondContact O-N 2.83Å; Q89-R93 PolarHBondContact O-NE 3.05Å; K90-R93 PolarHBondContact O-N 2.81Å; K90-R93 VanDerWaalsContact O-N 3.15Å; Y91-R93 PolarHBondContact O-N 2.86Å; R93-Q96 PolarHBondContact O-N 3.44Å; R93-A97 PolarHBondContact O-N 2.81Å
94	Q	98.3	Very high	97.8	Very high	40 Å²	40	65.9 Å²	65.9	19%	0.187	31%	0.306	C	S	.	.	H	α-helix	trans	-62.8	-44.6	177	-171.6	59.2	46.6	0	0	111.4	F46 K90 Y91 Q96 A97 D98	F46-Q94 HydrophobicContact CE2-CB 4.29Å; F46-Q94 HydrophobicContact CE2-CG 3.74Å; F46-Q94 HydrophobicContact CZ-CB 3.91Å; F46-Q94 HydrophobicContact CZ-CG 3.67Å; K90-Q94 PolarHBondContact O-N 3.3Å; Y91-Q94 PolarHBondContact O-N 2.66Å; Q94-Q96 VanDerWaalsContact C-N 3.28Å; Q94-Q96 PolarHBondContact O-N 2.77Å; Q94-A97 WeakPolarHBondContact O-CB 3.42Å; Q94-A97 PolarHBondContact O-N 3.25Å; Q94-D98 VanDerWaalsContact NE2-CG 3.31Å; Q94-D98 PolarHBondContact NE2-OD1 2.79Å; Q94-D98 PolarHBondContact NE2-OD2 2.84Å; Q94-D98 PolarHBondContact O-N 2.91Å
95	A	98.3	Very high	97.8	Very high	23 Å²	23	64.2 Å²	64.2	19%	0.19	30%	0.3	C	S	.	.	H	α-helix	trans	-56.7	-40.1	175.1	0	0	0	0	0	112.7	F46 Y91 R99	F46-A95 HydrophobicContact CB-CB 3.63Å; F46-A95 HydrophobicContact CD1-CB 3.7Å; F46-A95 HydrophobicContact CD2-CB 4.1Å; F46-A95 HydrophobicContact CE1-CB 4.39Å; F46-A95 HydrophobicContact CG-CB 3.53Å; Y91-A95 WeakPolarHBondContact O-CB 3.42Å; Y91-A95 PolarHBondContact O-N 2.83Å; A95-R99 WeakPolarHBondContact O-CB 3.4Å; A95-R99 PolarHBondContact O-N 3.01Å
96	Q	98	Very high	97.8	Very high	143 Å²	143	62 Å²	62	67%	0.668	28%	0.284	S	S	*	.	H	α-helix	trans	-69.8	-40.1	174.8	-71.7	-151	-9.7	0	0	112.8	K92 R93 Q94 D98 R99 V100	K92-Q96 PolarHBondContact O-N 2.99Å; R93-Q96 PolarHBondContact O-N 3.44Å; Q94-Q96 VanDerWaalsContact C-N 3.28Å; Q94-Q96 PolarHBondContact O-N 2.77Å; Q96-D98 VanDerWaalsContact C-N 3.35Å; Q96-R99 WeakPolarHBondContact O-CB 3.42Å; Q96-R99 PolarHBondContact O-N 2.89Å; Q96-V100 PolarHBondContact O-N 2.75Å
97	A	97.7	Very high	97.7	Very high	41 Å²	41	59.2 Å²	59.2	34%	0.339	29%	0.287	S	S	.	.	H	α-helix	trans	-60.6	-45.8	174.6	0	0	0	0	0	110.9	R93 Q94 R99 V100 N101	R93-A97 PolarHBondContact O-N 2.81Å; Q94-A97 WeakPolarHBondContact O-CB 3.42Å; Q94-A97 PolarHBondContact O-N 3.25Å; A97-R99 VanDerWaalsContact C-N 3.34Å; A97-R99 PolarHBondContact O-N 3.11Å; A97-V100 CarbonylContact O-C 3.55Å; A97-V100 WeakPolarHBondContact O-CA 3.35Å; A97-V100 WeakPolarHBondContact O-CB 3.32Å; A97-V100 PolarHBondContact O-N 3.2Å; A97-N101 VanDerWaalsContact O-CG 3.24Å; A97-N101 PolarHBondContact O-N 2.84Å; A97-N101 PolarHBondContact O-ND2 2.87Å
98	D	98	Very high	97.7	Very high	1 Å²	1	61.6 Å²	61.6	1%	0.005	30%	0.296	C	S	.	.	H	α-helix	trans	-69.8	-31.6	-178.2	-70.2	-19.7	0	0	0	113.2	A35 F46 Q94 Q96 V100 N101 L102 F119	A35-D98 HydrophobicContact CB-CB 3.63Å; F46-D98 VanDerWaalsContact CE2-OD2 3.27Å; F46-D98 WeakPolarHBondContact CE2-OD2 3.48Å; Q94-D98 VanDerWaalsContact NE2-CG 3.31Å; Q94-D98 PolarHBondContact NE2-OD1 2.79Å; Q94-D98 PolarHBondContact NE2-OD2 2.84Å; Q94-D98 PolarHBondContact O-N 2.91Å; Q96-D98 VanDerWaalsContact C-N 3.35Å; D98-V100 VanDerWaalsContact C-N 3.29Å; D98-V100 PolarHBondContact O-N 2.86Å; D98-N101 PolarHBondContact O-N 3.43Å; D98-N101 PolarHBondContact OD1-ND2 3.43Å; D98-L102 WeakPolarHBondContact O-CB 3.25Å; D98-L102 VanDerWaalsContact O-CG 3.3Å; D98-L102 WeakPolarHBondContact O-CG 3.36Å; D98-L102 PolarHBondContact O-N 2.97Å; D98-F119 HydrophobicContact CB-CD1 4.28Å; D98-F119 WeakPolarHBondContact OD1-CD1 3.28Å; D98-F119 WeakPolarHBondContact OD1-CE1 3.23Å
99	R	97.6	Very high	97.7	Very high	93 Å²	93	64.2 Å²	64.2	35%	0.351	31%	0.305	S	S	.	.	H	α-helix	trans	-57.5	-44.3	167.6	176.1	-171.3	170	165.7	14.2	111.6	E43 P44 A95 Q96 A97 R103	E43-R99 IonicContact OE1-CZ 2.86Å; E43-R99 IonicContact OE1-NE 3.38Å; E43-R99 IonicContact OE1-NH1 2.98Å; E43-R99 PolarHBondContact OE1-NH1 3.37Å; E43-R99 IonicContact OE1-NH2 2.69Å; E43-R99 PolarHBondContact OE1-NH2 3.4Å; E43-R99 VanDerWaalsContact OE2-CD 3.29Å; E43-R99 WeakPolarHBondContact OE2-CD 2.96Å; E43-R99 IonicContact OE2-CZ 3.61Å; E43-R99 IonicContact OE2-NE 3.54Å; E43-R99 PolarHBondContact OE2-NE 2.82Å; E43-R99 IonicContact OE2-NH1 3.99Å; E43-R99 PolarHBondContact OE2-NH1 2.92Å; E43-R99 IonicContact OE2-NH2 3.56Å; E43-R99 PolarHBondContact OE2-NH2 3.46Å; P44-R99 HydrophobicContact CG-CB 4.39Å; P44-R99 HydrophobicContact CG-CG 4.2Å; A95-R99 WeakPolarHBondContact O-CB 3.4Å; A95-R99 PolarHBondContact O-N 3.01Å; Q96-R99 WeakPolarHBondContact O-CB 3.42Å; Q96-R99 PolarHBondContact O-N 2.89Å; A97-R99 VanDerWaalsContact C-N 3.34Å; A97-R99 PolarHBondContact O-N 3.11Å; R99-R103 PolarHBondContact O-N 2.98Å
100	V	97.4	Very high	97.6	Very high	74 Å²	74	66.5 Å²	66.5	45%	0.448	32%	0.32	S	S	.	.	H	α-helix	trans	-69.9	-40.9	177.5	175.5	0	0	0	0	110.6	Q96 A97 D98 R103 N104	Q96-V100 PolarHBondContact O-N 2.75Å; A97-V100 CarbonylContact O-C 3.55Å; A97-V100 WeakPolarHBondContact O-CA 3.35Å; A97-V100 WeakPolarHBondContact O-CB 3.32Å; A97-V100 PolarHBondContact O-N 3.2Å; D98-V100 VanDerWaalsContact C-N 3.29Å; D98-V100 PolarHBondContact O-N 2.86Å; V100-R103 PolarHBondContact O-N 2.04Å; V100-N104 PolarHBondContact O-N 2.95Å; V100-N104 PolarHBondContact O-ND2 3.38Å
101	N	97.9	Very high	97.6	Very high	52 Å²	52	66.1 Å²	66.1	28%	0.278	32%	0.32	S	S	.	.	H	α-helix	trans	-60.3	-46.8	177.5	-66.8	-28.9	0	0	0	111.5	A97 D98 R103 N104 L105 F119	A97-N101 VanDerWaalsContact O-CG 3.24Å; A97-N101 PolarHBondContact O-N 2.84Å; A97-N101 PolarHBondContact O-ND2 2.87Å; D98-N101 PolarHBondContact O-N 3.43Å; D98-N101 PolarHBondContact OD1-ND2 3.43Å; N101-R103 VanDerWaalsContact C-N 3.27Å; N101-R103 PolarHBondContact O-N 2.94Å; N101-N104 PolarHBondContact O-N 2.96Å; N101-N104 VanDerWaalsContact O-N 3.09Å; N101-L105 WeakPolarHBondContact O-CB 3.34Å; N101-L105 VanDerWaalsContact O-CG 3.23Å; N101-L105 WeakPolarHBondContact O-CG 3.31Å; N101-L105 PolarHBondContact O-N 2.99Å; N101-F119 HydrophobicContact CB-CD1 4.16Å; N101-F119 HydrophobicContact CB-CE1 3.93Å; N101-F119 HydrophobicContact CB-CZ 4.4Å
102	L	98.1	Very high	97.4	Very high	9 Å²	9	69.5 Å²	69.5	5%	0.047	34%	0.344	C	S	.	.	H	α-helix	trans	-55.5	-41.2	175.9	-78.2	165.9	0	0	0	112.3	A35 P44 D98 R106 H117 F119 Y142	A35-L102 HydrophobicContact CB-CD1 3.82Å; P44-L102 HydrophobicContact CB-CD1 3.65Å; P44-L102 HydrophobicContact CG-CD1 3.84Å; D98-L102 WeakPolarHBondContact O-CB 3.25Å; D98-L102 VanDerWaalsContact O-CG 3.3Å; D98-L102 WeakPolarHBondContact O-CG 3.36Å; D98-L102 PolarHBondContact O-N 2.97Å; L102-R106 WeakPolarHBondContact O-CB 3.44Å; L102-R106 PolarHBondContact O-N 3.33Å; L102-R106 VanDerWaalsContact O-N 3.13Å; L102-H117 HydrophobicContact CD2-CB 4.22Å; L102-F119 HydrophobicContact CD2-CB 3.67Å; L102-F119 HydrophobicContact CG-CB 4.04Å; L102-Y142 HydrophobicContact CD2-CE2 4.1Å
103	R	96.1	Very high	97	Very high	146 Å²	146	71.3 Å²	71.3	55%	0.551	35%	0.354	S	S	*	.	H	α-helix	trans	-66.9	-43.3	176	-174.7	-175.7	-66.8	164.7	-2.2	112.1	R99 V100 N101 G107	R99-R103 PolarHBondContact O-N 2.98Å; V100-R103 PolarHBondContact O-N 2.04Å; N101-R103 VanDerWaalsContact C-N 3.27Å; N101-R103 PolarHBondContact O-N 2.94Å; R103-G107 PolarHBondContact O-N 2.9Å
104	N	96.9	Very high	96.6	Very high	65 Å²	65	70.6 Å²	70.6	35%	0.348	36%	0.362	S	S	.	.	H	α-helix	trans	-65.3	-46.6	179.7	-70.1	-21.4	0	0	0	111.5	V100 N101 G107 Y108	V100-N104 PolarHBondContact O-N 2.95Å; V100-N104 PolarHBondContact O-ND2 3.38Å; N101-N104 PolarHBondContact O-N 2.96Å; N101-N104 VanDerWaalsContact O-N 3.09Å; N104-G107 WeakPolarHBondContact O-CA 3.37Å; N104-G107 PolarHBondContact O-N 2.92Å; N104-G107 VanDerWaalsContact O-N 3.09Å; N104-Y108 WeakPolarHBondContact O-CD1 3.24Å; N104-Y108 PolarHBondContact O-N 2.82Å
105	L	97.8	Very high	96.4	Very high	4 Å²	4	69.7 Å²	69.7	2%	0.021	36%	0.364	C	S	.	.	H	α-helix	trans	-60.9	-46.7	-180	-69.6	167.8	0	0	0	111	N101 G107 Y108 Y109 F119 Y142 Y147	N101-L105 WeakPolarHBondContact O-CB 3.34Å; N101-L105 VanDerWaalsContact O-CG 3.23Å; N101-L105 WeakPolarHBondContact O-CG 3.31Å; N101-L105 PolarHBondContact O-N 2.99Å; L105-G107 PolarHBondContact O-N 2.93Å; L105-Y108 HydrophobicContact CD2-CD2 4.4Å; L105-Y108 PolarHBondContact O-N 3.27Å; L105-Y109 HydrophobicContact CD2-CE2 4.29Å; L105-Y109 VanDerWaalsContact O-CD2 3.25Å; L105-Y109 WeakPolarHBondContact O-CD2 3.34Å; L105-Y109 PolarHBondContact O-N 3.19Å; L105-F119 HydrophobicContact CD1-CD2 3.38Å; L105-F119 HydrophobicContact CD1-CE2 3.59Å; L105-F119 HydrophobicContact CD1-CG 4.03Å; L105-F119 HydrophobicContact CD1-CZ 4.37Å; L105-Y142 HydrophobicContact CB-CD1 4.36Å; L105-Y142 HydrophobicContact CB-CD2 4.19Å; L105-Y142 HydrophobicContact CB-CE1 4Å; L105-Y142 HydrophobicContact CB-CE2 3.84Å; L105-Y142 HydrophobicContact CB-CG 4.43Å; L105-Y142 HydrophobicContact CD1-CD2 3.59Å; L105-Y142 HydrophobicContact CD1-CE2 3.94Å; L105-Y142 HydrophobicContact CD1-CG 4.01Å; L105-Y142 HydrophobicContact CG-CD2 4.44Å; L105-Y147 HydrophobicContact CD2-CD1 4.37Å; L105-Y147 HydrophobicContact CD2-CD2 4.12Å; L105-Y147 HydrophobicContact CD2-CE1 3.75Å; L105-Y147 HydrophobicContact CD2-CE2 3.43Å; L105-Y147 VanDerWaalsContact CD2-CE2 3.43Å; L105-Y147 WeakPolarHBondContact CD2-OH 3.35Å
106	R	96.6	Very high	96.3	Very high	60 Å²	60	72 Å²	72	23%	0.226	38%	0.379	C	S	.	.	H	α-helix	trans	-52.6	-41.4	173.6	-171	-173.2	66.6	178.6	8.8	112	L102 N110 Q111 E113	L102-R106 WeakPolarHBondContact O-CB 3.44Å; L102-R106 PolarHBondContact O-N 3.33Å; L102-R106 VanDerWaalsContact O-N 3.13Å; R106-N110 PolarHBondContact O-N 3.14Å; R106-N110 VanDerWaalsContact O-N 3.14Å; R106-Q111 HydrophobicContact CG-CB 3.79Å; R106-Q111 PolarHBondContact O-N 3.39Å; R106-E113 IonicContact CZ-OE1 2.76Å; R106-E113 IonicContact NH1-OE1 3.11Å; R106-E113 IonicContact NH2-OE1 3.34Å; R106-E113 PolarHBondContact NH2-OE1 3Å
107	G	96.6	Very high	96.4	Very high	44 Å²	44	66 Å²	66	45%	0.454	35%	0.351	S	S	.	.	H	α-helix	trans	-66.8	-44.7	175	0	0	0	0	0	113.3	R103 N104 L105 Y109 N110	R103-G107 PolarHBondContact O-N 2.9Å; N104-G107 WeakPolarHBondContact O-CA 3.37Å; N104-G107 PolarHBondContact O-N 2.92Å; N104-G107 VanDerWaalsContact O-N 3.09Å; L105-G107 PolarHBondContact O-N 2.93Å; G107-Y109 VanDerWaalsContact C-N 3.27Å; G107-Y109 PolarHBondContact O-N 3.47Å; G107-N110 PolarHBondContact O-N 2.85Å; G107-N110 VanDerWaalsContact O-N 3.17Å; G107-N110 PolarHBondContact O-OD1 3.1Å
108	Y	97.8	Very high	96.4	Very high	57 Å²	57	65.8 Å²	65.8	22%	0.224	35%	0.345	C	S	.	.	H	α-helix	trans	-62.1	-35.4	178.8	-64.2	-10.8	0	0	0	112.7	N104 L105 I166 K170	N104-Y108 WeakPolarHBondContact O-CD1 3.24Å; N104-Y108 PolarHBondContact O-N 2.82Å; L105-Y108 HydrophobicContact CD2-CD2 4.4Å; L105-Y108 PolarHBondContact O-N 3.27Å; Y108-I166 HydrophobicContact CD1-CD1 4.26Å; Y108-I166 HydrophobicContact CE1-CG2 4.17Å; Y108-I166 HydrophobicContact CE2-CB 4.2Å; Y108-I166 HydrophobicContact CE2-CG2 4.08Å; Y108-I166 HydrophobicContact CG-CD1 4.26Å; Y108-K170 PolarHBondContact OH-NZ 3.47Å
109	Y	97.7	Very high	96.4	Very high	68 Å²	68	66.1 Å²	66.1	27%	0.267	35%	0.346	S	S	.	.	T	Hydrogen-bonded Turn	trans	-91.8	3.8	178.5	-69.2	-72.8	0	0	0	114	L105 G107 Q111 Y142 Y147 D161 A163	L105-Y109 HydrophobicContact CD2-CE2 4.29Å; L105-Y109 VanDerWaalsContact O-CD2 3.25Å; L105-Y109 WeakPolarHBondContact O-CD2 3.34Å; L105-Y109 PolarHBondContact O-N 3.19Å; G107-Y109 VanDerWaalsContact C-N 3.27Å; G107-Y109 PolarHBondContact O-N 3.47Å; Y109-Q111 VanDerWaalsContact C-N 3.26Å; Y109-Q111 PolarHBondContact O-N 2.91Å; Y109-Y142 AromaticContact CD2-CD1 3.72Å; Y109-Y142 HydrophobicContact CD2-CD1 3.72Å; Y109-Y142 AromaticContact CD2-CE1 3.5Å; Y109-Y142 HydrophobicContact CD2-CE1 3.5Å; Y109-Y142 AromaticContact CE2-CD1 3.51Å; Y109-Y142 HydrophobicContact CE2-CD1 3.51Å; Y109-Y142 AromaticContact CE2-CE1 3.83Å; Y109-Y142 HydrophobicContact CE2-CE1 3.83Å; Y109-Y142 HydrophobicContact CG-CE1 4.38Å; Y109-Y147 HydrophobicContact CE2-CD2 4.39Å; Y109-Y147 HydrophobicContact CE2-CE2 4.1Å; Y109-Y147 WeakPolarHBondContact OH-CD2 3.31Å; Y109-Y147 WeakPolarHBondContact OH-CE2 3.38Å; Y109-D161 VanDerWaalsContact CE1-OD2 3.23Å; Y109-D161 WeakPolarHBondContact CE1-OD2 3.46Å; Y109-D161 VanDerWaalsContact OH-CG 3.25Å; Y109-D161 PolarHBondContact OH-OD1 3.31Å; Y109-D161 PolarHBondContact OH-OD2 3.36Å; Y109-A163 HydrophobicContact CD1-CB 4.17Å; Y109-A163 HydrophobicContact CD2-CB 4.44Å; Y109-A163 HydrophobicContact CE1-CB 3.62Å; Y109-A163 HydrophobicContact CE2-CB 3.91Å; Y109-A163 VanDerWaalsContact CZ-CB 3.48Å
110	N	96.6	Very high	96.5	Very high	151 Å²	151	65.1 Å²	65.1	81%	0.807	35%	0.346	S	S	*	.	T	Hydrogen-bonded Turn	trans	52.3	40.8	-178.5	-56.4	-60	0	0	0	113.5	R106 G107	R106-N110 PolarHBondContact O-N 3.14Å; R106-N110 VanDerWaalsContact O-N 3.14Å; G107-N110 PolarHBondContact O-N 2.85Å; G107-N110 VanDerWaalsContact O-N 3.17Å; G107-N110 PolarHBondContact O-OD1 3.1Å
111	Q	96.8	Very high	96.6	Very high	61 Å²	61	63.3 Å²	63.3	29%	0.285	33%	0.331	S	S	.	.			trans	-89	152.4	-176.8	-69.7	164.6	-34.2	0	0	112	R106 Y109 H117 Y142	R106-Q111 HydrophobicContact CG-CB 3.79Å; R106-Q111 PolarHBondContact O-N 3.39Å; Y109-Q111 VanDerWaalsContact C-N 3.26Å; Y109-Q111 PolarHBondContact O-N 2.91Å; Q111-H117 PolarHBondContact NE2-CE1 3.17Å; Q111-H117 PolarHBondContact OE1-CE1 3.29Å; Q111-H117 VanDerWaalsContact OE1-CE1 3.25Å; Q111-Y142 PolarHBondContact OE1-OH 3.26Å
112	S	94.1	Very high	96.6	Very high	75 Å²	75	61.9 Å²	61.9	52%	0.524	32%	0.323	S	S	.	.			trans	-68.4	153.9	179.7	59.2	0	0	0	0	112.9	D114 G115	S112-D114 VanDerWaalsContact C-N 3.28Å; S112-D114 PolarHBondContact O-N 3.04Å; S112-G115 PolarHBondContact O-N 3.04Å
113	E	90.6	Very high	96.6	Very high	127 Å²	127	63 Å²	63	59%	0.593	33%	0.326	S	S	*	.	T	Hydrogen-bonded Turn	trans	-70.2	-22.9	178.3	-57.3	-151	125	0	0	114.4	P39 R106 G115	P39-E113 WeakPolarHBondContact CB-O 3.4Å; P39-E113 WeakPolarHBondContact CG-O 3.39Å; R106-E113 IonicContact CZ-OE1 2.76Å; R106-E113 IonicContact NH1-OE1 3.11Å; R106-E113 IonicContact NH2-OE1 3.34Å; R106-E113 PolarHBondContact NH2-OE1 3Å; E113-G115 VanDerWaalsContact C-N 3.28Å; E113-G115 PolarHBondContact O-N 3.46Å
114	D	91.1	Very high	96.7	Very high	148 Å²	148	56 Å²	56	79%	0.791	30%	0.3	S	S	*	.	T	Hydrogen-bonded Turn	trans	-80.3	-9.8	-177.2	-57.8	-41.2	0	0	0	113.2	S112	S112-D114 VanDerWaalsContact C-N 3.28Å; S112-D114 PolarHBondContact O-N 3.04Å
115	G	93.1	Very high	96.8	Very high	21 Å²	21	52.9 Å²	52.9	22%	0.216	28%	0.284	C	S	.	.			trans	-77	133.5	179.6	0	0	0	0	0	112.5	P39 S112 E113 H117	P39-G115 WeakPolarHBondContact CG-O 3.46Å; S112-G115 PolarHBondContact O-N 3.04Å; E113-G115 VanDerWaalsContact C-N 3.28Å; E113-G115 PolarHBondContact O-N 3.46Å; G115-H117 PolarHBondContact O-CD2 3.14Å; G115-H117 VanDerWaalsContact O-CD2 3.22Å
116	S	97.1	Very high	96.8	Very high	73 Å²	73	53.8 Å²	53.8	51%	0.51	29%	0.288	S	S	.	.			trans	-84.4	126.9	166.1	-178.6	0	0	0	0	109.2	S37	S37-S116 WeakPolarHBondContact O-CB 3.48Å; S37-S116 PolarHBondContact O-OG 3.4Å
117	H	98.3	Very high	96.8	Very high	16 Å²	16	51 Å²	51	7%	0.074	28%	0.278	C	S	.	.			trans	-123.5	150.3	-179.1	-60.6	-76.3	0	0	0	111.5	S37 L102 Q111 G115 Y142 D143	S37-H117 PolarHBondContact N-O 3.02Å; S37-H117 WeakPolarHBondContact OG-CA 3.3Å; S37-H117 PolarHBondContact OG-N 2.61Å; S37-H117 PolarHBondContact OG-O 3.48Å; L102-H117 HydrophobicContact CD2-CB 4.22Å; Q111-H117 PolarHBondContact NE2-CE1 3.17Å; Q111-H117 PolarHBondContact OE1-CE1 3.29Å; Q111-H117 VanDerWaalsContact OE1-CE1 3.25Å; G115-H117 PolarHBondContact O-CD2 3.14Å; G115-H117 VanDerWaalsContact O-CD2 3.22Å; H117-Y142 HydrophobicContact CB-CE2 3.77Å; H117-Y142 WeakPolarHBondContact CB-OH 3.38Å; H117-Y142 AromaticContact CG-CZ 3.98Å; H117-Y142 AromaticContact ND1-CZ 3.92Å; H117-Y142 PolarHBondContact ND1-OH 3.22Å; H117-D143 WeakPolarHBondContact CA-OD1 3.19Å; H117-D143 WeakPolarHBondContact CB-OD1 3.42Å; H117-D143 IonicContact CE1-OD2 3.7Å; H117-D143 IonicContact CG-OD1 3.3Å; H117-D143 IonicContact CG-OD2 2.74Å; H117-D143 IonicContact ND1-OD1 3.46Å; H117-D143 IonicContact ND1-OD2 2.92Å; H117-D143 PolarHBondContact ND1-OD2 2.83Å
118	T	98.6	Very high	96.6	Very high	37 Å²	37	49.3 Å²	49.3	23%	0.227	26%	0.261	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-120.5	130.4	-177	-57.3	0	0	0	0	110.3	T34 A35 V36 Q120 Y142 D143	T34-T118 HydrophobicContact CG2-CG2 4.07Å; A35-T118 CarbonylContact O-C 3.58Å; A35-T118 WeakPolarHBondContact O-CA 3.48Å; V36-T118 HydrophobicContact CG2-CG2 4.17Å; T118-Q120 HydrophobicContact CG2-CG 3.89Å; T118-Y142 WeakPolarHBondContact O-CA 3.37Å; T118-Y142 VanDerWaalsContact O-CD2 3.26Å; T118-Y142 WeakPolarHBondContact O-CD2 3.45Å; T118-D143 PolarHBondContact N-OD1 2.64Å; T118-D143 PolarHBondContact O-N 2.93Å
119	F	98.8	Very high	96.2	Very high	7 Å²	7	50.8 Å²	50.8	3%	0.031	28%	0.277	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-120.7	129.7	173.5	-173.5	-120.3	0	0	0	109	A35 D98 N101 L102 L105 F140 A141 Y142 Y147	A35-F119 PolarHBondContact N-O 2.84Å; A35-F119 PolarHBondContact O-N 3.41Å; D98-F119 HydrophobicContact CB-CD1 4.28Å; D98-F119 WeakPolarHBondContact OD1-CD1 3.28Å; D98-F119 WeakPolarHBondContact OD1-CE1 3.23Å; N101-F119 HydrophobicContact CB-CD1 4.16Å; N101-F119 HydrophobicContact CB-CE1 3.93Å; N101-F119 HydrophobicContact CB-CZ 4.4Å; L102-F119 HydrophobicContact CD2-CB 3.67Å; L102-F119 HydrophobicContact CG-CB 4.04Å; L105-F119 HydrophobicContact CD1-CD2 3.38Å; L105-F119 HydrophobicContact CD1-CE2 3.59Å; L105-F119 HydrophobicContact CD1-CG 4.03Å; L105-F119 HydrophobicContact CD1-CZ 4.37Å; F119-F140 AromaticContact CE1-CD1 3.84Å; F119-F140 HydrophobicContact CE1-CD1 3.84Å; F119-F140 HydrophobicContact CE1-CE1 4.3Å; F119-F140 HydrophobicContact CE2-CB 4.02Å; F119-F140 HydrophobicContact CE2-CD1 4.12Å; F119-F140 HydrophobicContact CE2-CG 4.5Å; F119-F140 HydrophobicContact CZ-CB 4.07Å; F119-F140 AromaticContact CZ-CD1 3.33Å; F119-F140 HydrophobicContact CZ-CD1 3.33Å; F119-F140 HydrophobicContact CZ-CE1 4.09Å; F119-F140 HydrophobicContact CZ-CG 4.05Å; F119-A141 WeakPolarHBondContact CA-O 3.49Å; F119-A141 VanDerWaalsContact CD2-O 3.31Å; F119-A141 WeakPolarHBondContact CD2-O 3.46Å; F119-Y142 HydrophobicContact CB-CD2 4.42Å; F119-Y142 HydrophobicContact CD2-CD2 4.27Å; F119-Y147 HydrophobicContact CE2-CD1 4.38Å
120	Q	98.8	Very high	95.8	Very high	72 Å²	72	52.5 Å²	52.5	34%	0.336	29%	0.291	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-128	145	-174.7	-61.2	174.7	-89.8	0	0	109.8	D33 T34 T118 F140 A141	D33-Q120 VanDerWaalsContact O-CA 3.28Å; D33-Q120 WeakPolarHBondContact O-CA 3.42Å; T34-Q120 HydrophobicContact CG2-CG 4.12Å; T118-Q120 HydrophobicContact CG2-CG 3.89Å; Q120-F140 CarbonylContact O-C 3.49Å; Q120-F140 VanDerWaalsContact O-CA 3.23Å; Q120-F140 WeakPolarHBondContact O-CA 3.5Å; Q120-A141 HydrophobicContact CB-CB 4.37Å; Q120-A141 PolarHBondContact N-O 3.29Å; Q120-A141 PolarHBondContact O-N 2.9Å
121	R	98.6	Very high	95.4	Very high	37 Å²	37	46.2 Å²	46.2	14%	0.14	26%	0.262	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-131	135.1	172.4	-174.2	-169.8	-171.8	-172.8	4.1	109	F32 D33 Y123 D138 Q139 F140 D180	F32-R121 WeakPolarHBondContact CA-O 3.38Å; D33-R121 HydrophobicContact CB-CB 4.13Å; D33-R121 PolarHBondContact N-O 3.44Å; D33-R121 PolarHBondContact O-N 3.06Å; R121-Y123 HydrophobicContact CG-CD1 4.1Å; R121-D138 IonicContact CZ-OD1 2.75Å; R121-D138 IonicContact CZ-OD2 2.76Å; R121-D138 IonicContact NE-OD1 3.54Å; R121-D138 PolarHBondContact NE-OD1 2.8Å; R121-D138 IonicContact NE-OD2 3.44Å; R121-D138 VanDerWaalsContact NH2-CG 3.32Å; R121-D138 IonicContact NH2-OD1 3.66Å; R121-D138 PolarHBondContact NH2-OD1 2.97Å; R121-D138 IonicContact NH2-OD2 3.58Å; R121-D138 PolarHBondContact NH2-OD2 3.2Å; R121-Q139 CarbonylContact C-O 3.57Å; R121-Q139 VanDerWaalsContact CA-O 3.32Å; R121-Q139 WeakPolarHBondContact CA-O 3.35Å; R121-F140 HydrophobicContact CB-CD1 3.78Å; R121-F140 HydrophobicContact CB-CE1 3.84Å; R121-F140 VanDerWaalsContact CD-CE1 3.41Å; R121-F140 HydrophobicContact CG-CD1 3.71Å; R121-F140 HydrophobicContact CG-CE1 3.42Å; R121-F140 VanDerWaalsContact CG-CE1 3.42Å; R121-F140 HydrophobicContact CG-CE2 4.41Å; R121-F140 HydrophobicContact CG-CG 4.37Å; R121-F140 HydrophobicContact CG-CZ 3.8Å; R121-F140 VanDerWaalsContact NE-CZ 3.33Å; R121-D180 IonicContact NH2-OD1 2.85Å
122	M	98.7	Very high	95.2	Very high	21 Å²	21	51.5 Å²	51.5	10%	0.103	28%	0.279	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-119.7	126.7	164.4	-176.3	-78.4	-75	0	0	108.3	Y31 F32 Y137 D138 Q139	Y31-M122 WeakPolarHBondContact O-CA 3.25Å; F32-M122 HydrophobicContact CD1-CB 3.96Å; F32-M122 HydrophobicContact CD1-CG 3.65Å; F32-M122 HydrophobicContact CE1-CB 4.1Å; F32-M122 HydrophobicContact CE1-CG 3.36Å; F32-M122 HydrophobicContact CG-CG 4.47Å; F32-M122 HydrophobicContact CZ-CG 3.97Å; M122-Y137 HydrophobicContact CE-CD1 4.02Å; M122-Y137 HydrophobicContact CE-CG 4.13Å; M122-Y137 HydrophobicContact SD-CG 4.45Å; M122-D138 WeakPolarHBondContact O-CA 3.32Å; M122-Q139 HydrophobicContact CB-CG 4.03Å; M122-Q139 VanDerWaalsContact CE-CD 3.4Å; M122-Q139 HydrophobicContact CE-CG 3.84Å; M122-Q139 VanDerWaalsContact CE-OE1 3.26Å; M122-Q139 PolarHBondContact N-O 3.44Å; M122-Q139 PolarHBondContact O-N 3.22Å
123	Y	98.7	Very high	95.4	Very high	32 Å²	32	50.2 Å²	50.2	13%	0.125	27%	0.266	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-141.3	154.7	175.2	69.6	-87.5	0	0	0	111	Y31 R121 Y137 Y183	Y31-Y123 VanDerWaalsContact CB-CE1 3.44Å; Y31-Y123 HydrophobicContact CD2-CD2 4.32Å; Y31-Y123 AromaticContact CD2-CE2 3.59Å; Y31-Y123 HydrophobicContact CD2-CE2 3.59Å; Y31-Y123 AromaticContact CD2-CZ 3.84Å; Y31-Y123 HydrophobicContact CE2-CE2 4.37Å; Y31-Y123 HydrophobicContact CG-CE1 4.23Å; Y31-Y123 AromaticContact CG-CE2 3.88Å; Y31-Y123 HydrophobicContact CG-CE2 3.88Å; Y31-Y123 AromaticContact CG-CZ 3.6Å; Y31-Y123 PolarHBondContact N-O 3.42Å; Y31-Y123 PolarHBondContact O-N 3.25Å; Y31-Y123 VanDerWaalsContact O-N 3.11Å; R121-Y123 HydrophobicContact CG-CD1 4.1Å; Y123-Y137 CarbonylContact C-O 3.58Å; Y123-Y137 WeakPolarHBondContact CA-O 3.43Å; Y123-Y137 WeakPolarHBondContact CB-O 3.41Å; Y123-Y183 AromaticContact CD2-CE1 3.88Å; Y123-Y183 HydrophobicContact CD2-CE1 3.88Å; Y123-Y183 AromaticContact CE2-CE1 3.97Å; Y123-Y183 HydrophobicContact CE2-CE1 3.97Å
124	G	98.5	Very high	95.6	Very high	0 Å²	0	50 Å²	50	0%	0	27%	0.268	C	S	.	.	E	Extended strand (participates in β ladder)	trans	159.9	-177.4	-177.5	0	0	0	0	0	114.5	M29 G136 Y137 L184	M29-G124 CarbonylContact O-C 3.46Å; M29-G124 WeakPolarHBondContact O-CA 3.35Å; G124-G136 CarbonylContact O-C 3.58Å; G124-G136 WeakPolarHBondContact O-CA 3.21Å; G124-Y137 PolarHBondContact N-O 2.87Å; G124-Y137 PolarHBondContact O-N 3.22Å; G124-L184 WeakPolarHBondContact O-CD2 3.27Å
125	C	98.5	Very high	95.9	Very high	0 Å²	0	47.3 Å²	47.3	0%	0	25%	0.247	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-135.6	146.9	-175.7	54.5	0	0	0	0	111.4	S28 M29 L133 R135 C188	S28-C125 WeakPolarHBondContact CA-O 3.38Å; M29-C125 PolarHBondContact N-O 3.32Å; M29-C125 PolarHBondContact O-N 3.43Å; C125-L133 HydrophobicContact CB-CD1 3.56Å; C125-R135 CarbonylContact C-O 3.6Å; C125-R135 WeakPolarHBondContact CA-O 2.99Å; C125-C188 HydrophobicContact CB-CB 3.92Å; C125-C188 WeakPolarHBondContact CB-SG 3.18Å; C125-C188 PolarHBondContact N-SG 3.09Å; C125-C188 VanDerWaalsContact N-SG 3.36Å; C125-C188 WeakPolarHBondContact SG-CB 3.27Å; C125-C188 CovalentContact SG-SG 2.04Å; C125-C188 PolarHBondContact SG-SG 3.41Å
126	D	97.9	Very high	96.1	Very high	22 Å²	22	46.5 Å²	46.5	12%	0.118	24%	0.239	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-110.4	136.4	173	-62.5	-3.4	0	0	0	108.9	H27 S28 R30 L134 R135 Y137	H27-D126 CarbonylContact O-C 3.52Å; H27-D126 WeakPolarHBondContact O-CA 3.14Å; S28-D126 WeakPolarHBondContact CB-OD1 3.44Å; R30-D126 IonicContact CZ-OD1 2.72Å; R30-D126 IonicContact NE-OD1 3.63Å; R30-D126 PolarHBondContact NE-OD1 3.15Å; R30-D126 VanDerWaalsContact NE-OD1 3.11Å; R30-D126 IonicContact NH2-OD1 3.18Å; R30-D126 PolarHBondContact NH2-OD1 3.44Å; R30-D126 IonicContact NH2-OD2 3.62Å; R30-D126 PolarHBondContact NH2-OD2 2.81Å; D126-L134 HydrophobicContact CB-CB 4.4Å; D126-L134 PolarHBondContact O-N 2.92Å; D126-R135 HydrophobicContact CB-CB 4.43Å; D126-R135 PolarHBondContact N-O 3.36Å; D126-R135 PolarHBondContact O-N 3.48Å; D126-Y137 WeakPolarHBondContact OD2-CE2 3.37Å; D126-Y137 PolarHBondContact OD2-OH 2.8Å; D126-Y137 VanDerWaalsContact OD2-OH 3.09Å
127	L	96.6	Very high	96.2	Very high	3 Å²	3	45 Å²	45	2%	0.016	22%	0.222	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-105.7	134.4	173.6	-56.9	-177	0	0	0	109.9	S26 H27 R132 V189 L192 R193	S26-L127 VanDerWaalsContact CA-O 3.27Å; S26-L127 WeakPolarHBondContact CA-O 3.18Å; S26-L127 WeakPolarHBondContact CB-O 3.47Å; H27-L127 PolarHBondContact N-O 2.8Å; H27-L127 VanDerWaalsContact N-O 3.13Å; H27-L127 PolarHBondContact O-N 2.94Å; L127-R132 CarbonylContact C-O 3.55Å; L127-R132 VanDerWaalsContact CA-O 3.25Å; L127-R132 WeakPolarHBondContact CA-O 3.39Å; L127-V189 HydrophobicContact CD2-CB 4.16Å; L127-V189 HydrophobicContact CD2-CG1 3.74Å; L127-V189 HydrophobicContact CD2-CG2 3.83Å; L127-L192 HydrophobicContact CB-CD2 4.49Å; L127-L192 HydrophobicContact CD1-CB 4.26Å; L127-L192 HydrophobicContact CD1-CD2 3.68Å; L127-L192 HydrophobicContact CD1-CG 3.73Å; L127-L192 HydrophobicContact CG-CD2 3.57Å; L127-L192 HydrophobicContact CG-CG 4.21Å; L127-R193 HydrophobicContact CD1-CG 3.95Å
128	G	93.1	Very high	96.2	Very high	8 Å²	8	44.4 Å²	44.4	8%	0.082	22%	0.22	C	C	.	.			trans	-68.8	174.4	165.2	0	0	0	0	0	111.7	D130 G131 R132	G128-D130 PolarHBondContact O-N 3.2Å; G128-G131 WeakPolarHBondContact O-CA 3.4Å; G128-G131 PolarHBondContact O-N 2.83Å; G128-R132 PolarHBondContact N-O 3.18Å
129	P	88.8	Confident	96.2	Very high	88 Å²	88	46.3 Å²	46.3	57%	0.571	23%	0.226	S	C	*	.	T	Hydrogen-bonded Turn	trans	-62.6	-25	179.6	-18.1	29.3	0	0	0	113.6	A24 G131	A24-P129 HydrophobicContact CB-CB 3.62Å; A24-P129 HydrophobicContact CB-CG 3.15Å; A24-P129 WeakPolarHBondContact O-CG 3.44Å; P129-G131 PolarHBondContact O-N 3.3Å
130	D	88.6	Confident	96.2	Very high	103 Å²	103	47.3 Å²	47.3	55%	0.551	23%	0.231	S	C	*	.	T	Hydrogen-bonded Turn	trans	-78.9	2.5	173.8	70.2	-15.2	0	0	0	112.9	G128 R132	G128-D130 PolarHBondContact O-N 3.2Å; D130-R132 PolarHBondContact O-N 3.47Å; D130-R132 WeakPolarHBondContact OD1-CB 3.26Å; D130-R132 PolarHBondContact OD1-N 2.83Å; D130-R132 WeakPolarHBondContact OD2-CD 2.87Å; D130-R132 WeakPolarHBondContact OD2-CG 2.91Å; D130-R132 IonicContact OD2-NE 3.12Å
131	G	88.5	Confident	96.2	Very high	20 Å²	20	44.6 Å²	44.6	21%	0.206	22%	0.221	C	C	.	.	S	Bend	trans	72.8	9.9	-179.1	0	0	0	0	0	114	G128 P129 R193	G128-G131 WeakPolarHBondContact O-CA 3.4Å; G128-G131 PolarHBondContact O-N 2.83Å; P129-G131 PolarHBondContact O-N 3.3Å; G131-R193 VanDerWaalsContact O-CZ 3.29Å; G131-R193 PolarHBondContact O-NE 3.21Å; G131-R193 VanDerWaalsContact O-NE 3.09Å; G131-R193 PolarHBondContact O-NH2 3.3Å
132	R	93.5	Very high	96.2	Very high	171 Å²	171	43.4 Å²	43.4	65%	0.645	22%	0.217	S	C	*	.	S	Bend	trans	-89.3	156	178	-61.8	-173.6	-175.8	170.3	-1.7	111.2	L127 G128 D130 L134	L127-R132 CarbonylContact C-O 3.55Å; L127-R132 VanDerWaalsContact CA-O 3.25Å; L127-R132 WeakPolarHBondContact CA-O 3.39Å; G128-R132 PolarHBondContact N-O 3.18Å; D130-R132 PolarHBondContact O-N 3.47Å; D130-R132 WeakPolarHBondContact OD1-CB 3.26Å; D130-R132 PolarHBondContact OD1-N 2.83Å; D130-R132 WeakPolarHBondContact OD2-CD 2.87Å; D130-R132 WeakPolarHBondContact OD2-CG 2.91Å; D130-R132 IonicContact OD2-NE 3.12Å; R132-L134 PolarHBondContact O-N 3.02Å; R132-L134 VanDerWaalsContact O-N 3.11Å
133	L	96.6	Very high	96.2	Very high	49 Å²	49	45.3 Å²	45.3	26%	0.257	23%	0.227	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-57.8	117.8	174.3	-176.9	72.7	0	0	0	109.5	C125 R135 L154 E185 V189	C125-L133 HydrophobicContact CB-CD1 3.56Å; L133-R135 WeakPolarHBondContact CD1-O 3.13Å; L133-L154 HydrophobicContact CD2-CD1 4.19Å; L133-E185 HydrophobicContact CD2-CB 4.38Å; L133-E185 HydrophobicContact CD2-CG 3.66Å; L133-V189 HydrophobicContact CB-CG2 4.05Å; L133-V189 HydrophobicContact CD1-CG2 4.07Å
134	L	96.3	Very high	96.1	Very high	121 Å²	121	46.6 Å²	46.6	63%	0.634	25%	0.25	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-88.9	-45.8	171	-179.3	63.8	0	0	0	110.1	D126 R132	D126-L134 HydrophobicContact CB-CB 4.4Å; D126-L134 PolarHBondContact O-N 2.92Å; R132-L134 PolarHBondContact O-N 3.02Å; R132-L134 VanDerWaalsContact O-N 3.11Å
135	R	96.6	Very high	96.1	Very high	92 Å²	92	54.3 Å²	54.3	35%	0.347	28%	0.284	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-155.6	144.2	-177.3	-173.1	162.2	170.2	144.3	10.9	111.9	C125 D126 L133 Y137 E152	C125-R135 CarbonylContact C-O 3.6Å; C125-R135 WeakPolarHBondContact CA-O 2.99Å; D126-R135 HydrophobicContact CB-CB 4.43Å; D126-R135 PolarHBondContact N-O 3.36Å; D126-R135 PolarHBondContact O-N 3.48Å; L133-R135 WeakPolarHBondContact CD1-O 3.13Å; R135-Y137 HydrophobicContact CB-CE2 4.05Å; R135-Y137 VanDerWaalsContact CD-CZ 3.45Å; R135-Y137 WeakPolarHBondContact CD-OH 3.33Å; R135-Y137 HydrophobicContact CG-CD2 4.35Å; R135-Y137 HydrophobicContact CG-CE1 4.2Å; R135-Y137 HydrophobicContact CG-CE2 3.67Å; R135-Y137 VanDerWaalsContact NE-CZ 3.35Å; R135-Y137 PolarHBondContact NE-OH 3.46Å; R135-E152 VanDerWaalsContact CZ-CD 3.44Å; R135-E152 IonicContact CZ-OE1 3.89Å; R135-E152 IonicContact NH1-OE1 3.9Å; R135-E152 PolarHBondContact NH1-OE1 3Å; R135-E152 IonicContact NH1-OE2 2.89Å; R135-E152 VanDerWaalsContact NH2-CG 3.32Å; R135-E152 IonicContact NH2-OE1 3.58Å; R135-E152 PolarHBondContact NH2-OE1 3.45Å
136	G	98	Very high	96.1	Very high	5 Å²	5	60.3 Å²	60.3	5%	0.052	32%	0.316	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-114.3	152.6	170.6	0	0	0	0	0	111.2	G124	G124-G136 CarbonylContact O-C 3.58Å; G124-G136 WeakPolarHBondContact O-CA 3.21Å
137	Y	98.2	Very high	96.2	Very high	40 Å²	40	59.4 Å²	59.4	16%	0.157	31%	0.311	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-134	138.2	-178.5	-57.8	-95.4	0	0	0	110.3	R30 M122 Y123 G124 D126 R135	R30-Y137 VanDerWaalsContact NH2-CZ 3.34Å; R30-Y137 PolarHBondContact NH2-OH 2.88Å; M122-Y137 HydrophobicContact CE-CD1 4.02Å; M122-Y137 HydrophobicContact CE-CG 4.13Å; M122-Y137 HydrophobicContact SD-CG 4.45Å; Y123-Y137 CarbonylContact C-O 3.58Å; Y123-Y137 WeakPolarHBondContact CA-O 3.43Å; Y123-Y137 WeakPolarHBondContact CB-O 3.41Å; G124-Y137 PolarHBondContact N-O 2.87Å; G124-Y137 PolarHBondContact O-N 3.22Å; D126-Y137 WeakPolarHBondContact OD2-CE2 3.37Å; D126-Y137 PolarHBondContact OD2-OH 2.8Å; D126-Y137 VanDerWaalsContact OD2-OH 3.09Å; R135-Y137 HydrophobicContact CB-CE2 4.05Å; R135-Y137 VanDerWaalsContact CD-CZ 3.45Å; R135-Y137 WeakPolarHBondContact CD-OH 3.33Å; R135-Y137 HydrophobicContact CG-CD2 4.35Å; R135-Y137 HydrophobicContact CG-CE1 4.2Å; R135-Y137 HydrophobicContact CG-CE2 3.67Å; R135-Y137 VanDerWaalsContact NE-CZ 3.35Å; R135-Y137 PolarHBondContact NE-OH 3.46Å
138	D	98.4	Very high	96.3	Very high	4 Å²	4	59.6 Å²	59.6	2%	0.021	31%	0.312	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-151.4	106.2	158.9	-170.2	12.6	0	0	0	108.8	R121 M122 F140 L150	R121-D138 IonicContact CZ-OD1 2.75Å; R121-D138 IonicContact CZ-OD2 2.76Å; R121-D138 IonicContact NE-OD1 3.54Å; R121-D138 PolarHBondContact NE-OD1 2.8Å; R121-D138 IonicContact NE-OD2 3.44Å; R121-D138 VanDerWaalsContact NH2-CG 3.32Å; R121-D138 IonicContact NH2-OD1 3.66Å; R121-D138 PolarHBondContact NH2-OD1 2.97Å; R121-D138 IonicContact NH2-OD2 3.58Å; R121-D138 PolarHBondContact NH2-OD2 3.2Å; M122-D138 WeakPolarHBondContact O-CA 3.32Å; D138-F140 WeakPolarHBondContact OD1-CE2 3.46Å; D138-L150 HydrophobicContact CB-CB 4.07Å; D138-L150 HydrophobicContact CB-CD2 4.24Å; D138-L150 WeakPolarHBondContact O-CB 3.46Å; D138-L150 PolarHBondContact O-N 2.98Å
139	Q	98.5	Very high	96.5	Very high	77 Å²	77	60.7 Å²	60.7	36%	0.36	32%	0.32	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-136.8	142.6	-173.7	60.7	-174.9	74.4	0	0	111.4	R121 M122 A149	R121-Q139 CarbonylContact C-O 3.57Å; R121-Q139 VanDerWaalsContact CA-O 3.32Å; R121-Q139 WeakPolarHBondContact CA-O 3.35Å; M122-Q139 HydrophobicContact CB-CG 4.03Å; M122-Q139 VanDerWaalsContact CE-CD 3.4Å; M122-Q139 HydrophobicContact CE-CG 3.84Å; M122-Q139 VanDerWaalsContact CE-OE1 3.26Å; M122-Q139 PolarHBondContact N-O 3.44Å; M122-Q139 PolarHBondContact O-N 3.22Å; Q139-A149 HydrophobicContact CB-CB 3.89Å
140	F	98.7	Very high	97	Very high	28 Å²	28	57.2 Å²	57.2	12%	0.123	30%	0.297	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-123	143.2	-175.3	-58.8	-98	0	0	0	110.6	F119 Q120 R121 D138 Y147 I148 W157	F119-F140 AromaticContact CE1-CD1 3.84Å; F119-F140 HydrophobicContact CE1-CD1 3.84Å; F119-F140 HydrophobicContact CE1-CE1 4.3Å; F119-F140 HydrophobicContact CE2-CB 4.02Å; F119-F140 HydrophobicContact CE2-CD1 4.12Å; F119-F140 HydrophobicContact CE2-CG 4.5Å; F119-F140 HydrophobicContact CZ-CB 4.07Å; F119-F140 AromaticContact CZ-CD1 3.33Å; F119-F140 HydrophobicContact CZ-CD1 3.33Å; F119-F140 HydrophobicContact CZ-CE1 4.09Å; F119-F140 HydrophobicContact CZ-CG 4.05Å; Q120-F140 CarbonylContact O-C 3.49Å; Q120-F140 VanDerWaalsContact O-CA 3.23Å; Q120-F140 WeakPolarHBondContact O-CA 3.5Å; R121-F140 HydrophobicContact CB-CD1 3.78Å; R121-F140 HydrophobicContact CB-CE1 3.84Å; R121-F140 VanDerWaalsContact CD-CE1 3.41Å; R121-F140 HydrophobicContact CG-CD1 3.71Å; R121-F140 HydrophobicContact CG-CE1 3.42Å; R121-F140 VanDerWaalsContact CG-CE1 3.42Å; R121-F140 HydrophobicContact CG-CE2 4.41Å; R121-F140 HydrophobicContact CG-CG 4.37Å; R121-F140 HydrophobicContact CG-CZ 3.8Å; R121-F140 VanDerWaalsContact NE-CZ 3.33Å; D138-F140 WeakPolarHBondContact OD1-CE2 3.46Å; F140-Y147 HydrophobicContact CB-CD1 4.41Å; F140-Y147 WeakPolarHBondContact O-CB 3.43Å; F140-Y147 PolarHBondContact O-N 3.1Å; F140-I148 HydrophobicContact CB-CG2 4.11Å; F140-I148 HydrophobicContact CD2-CG2 3.77Å; F140-I148 HydrophobicContact CG-CG2 4.24Å; F140-I148 PolarHBondContact N-O 2.83Å; F140-I148 PolarHBondContact O-N 3.46Å; F140-W157 HydrophobicContact CE2-CZ3 4.39Å
141	A	98.8	Very high	97.5	Very high	16 Å²	16	54.4 Å²	54.4	13%	0.132	28%	0.282	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-128.1	147.5	173.7	0	0	0	0	0	110.8	F119 Q120 K145	F119-A141 WeakPolarHBondContact CA-O 3.49Å; F119-A141 VanDerWaalsContact CD2-O 3.31Å; F119-A141 WeakPolarHBondContact CD2-O 3.46Å; Q120-A141 HydrophobicContact CB-CB 4.37Å; Q120-A141 PolarHBondContact N-O 3.29Å; Q120-A141 PolarHBondContact O-N 2.9Å; A141-K145 CarbonylContact C-O 3.6Å; A141-K145 WeakPolarHBondContact CA-O 3.45Å; A141-K145 VanDerWaalsContact CB-O 3.27Å; A141-K145 WeakPolarHBondContact CB-O 3.49Å
142	Y	98.8	Very high	97.9	Very high	12 Å²	12	59.9 Å²	59.9	5%	0.047	30%	0.302	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-128.2	127.3	176.3	-174.1	-121.3	0	0	0	110	L102 L105 Y109 Q111 H117 T118 F119 G144 K145	L102-Y142 HydrophobicContact CD2-CE2 4.1Å; L105-Y142 HydrophobicContact CB-CD1 4.36Å; L105-Y142 HydrophobicContact CB-CD2 4.19Å; L105-Y142 HydrophobicContact CB-CE1 4Å; L105-Y142 HydrophobicContact CB-CE2 3.84Å; L105-Y142 HydrophobicContact CB-CG 4.43Å; L105-Y142 HydrophobicContact CD1-CD2 3.59Å; L105-Y142 HydrophobicContact CD1-CE2 3.94Å; L105-Y142 HydrophobicContact CD1-CG 4.01Å; L105-Y142 HydrophobicContact CG-CD2 4.44Å; Y109-Y142 AromaticContact CD2-CD1 3.72Å; Y109-Y142 HydrophobicContact CD2-CD1 3.72Å; Y109-Y142 AromaticContact CD2-CE1 3.5Å; Y109-Y142 HydrophobicContact CD2-CE1 3.5Å; Y109-Y142 AromaticContact CE2-CD1 3.51Å; Y109-Y142 HydrophobicContact CE2-CD1 3.51Å; Y109-Y142 AromaticContact CE2-CE1 3.83Å; Y109-Y142 HydrophobicContact CE2-CE1 3.83Å; Y109-Y142 HydrophobicContact CG-CE1 4.38Å; Q111-Y142 PolarHBondContact OE1-OH 3.26Å; H117-Y142 HydrophobicContact CB-CE2 3.77Å; H117-Y142 WeakPolarHBondContact CB-OH 3.38Å; H117-Y142 AromaticContact CG-CZ 3.98Å; H117-Y142 AromaticContact ND1-CZ 3.92Å; H117-Y142 PolarHBondContact ND1-OH 3.22Å; T118-Y142 WeakPolarHBondContact O-CA 3.37Å; T118-Y142 VanDerWaalsContact O-CD2 3.26Å; T118-Y142 WeakPolarHBondContact O-CD2 3.45Å; F119-Y142 HydrophobicContact CB-CD2 4.42Å; F119-Y142 HydrophobicContact CD2-CD2 4.27Å; Y142-G144 PolarHBondContact O-N 2.85Å; Y142-K145 PolarHBondContact N-O 2.98Å; Y142-K145 PolarHBondContact O-N 3.09Å
143	D	98.2	Very high	98.1	Very high	60 Å²	60	55.5 Å²	55.5	32%	0.321	29%	0.291	S	S	.	.	T	Hydrogen-bonded Turn	trans	49.2	40.7	-174.9	-66.4	-21.8	0	0	0	113.5	H117 T118 K145	H117-D143 WeakPolarHBondContact CA-OD1 3.19Å; H117-D143 WeakPolarHBondContact CB-OD1 3.42Å; H117-D143 IonicContact CE1-OD2 3.7Å; H117-D143 IonicContact CG-OD1 3.3Å; H117-D143 IonicContact CG-OD2 2.74Å; H117-D143 IonicContact ND1-OD1 3.46Å; H117-D143 IonicContact ND1-OD2 2.92Å; H117-D143 PolarHBondContact ND1-OD2 2.83Å; T118-D143 PolarHBondContact N-OD1 2.64Å; T118-D143 PolarHBondContact O-N 2.93Å; D143-K145 VanDerWaalsContact C-N 3.31Å; D143-K145 PolarHBondContact O-N 3.34Å
144	G	97.4	Very high	98.1	Very high	60 Å²	60	53.6 Å²	53.6	62%	0.619	28%	0.281	S	S	*	.	T	Hydrogen-bonded Turn	trans	77	9.7	177.7	0	0	0	0	0	115.1	Y142	Y142-G144 PolarHBondContact O-N 2.85Å
145	K	98.4	Very high	98.2	Very high	161 Å²	161	55.7 Å²	55.7	70%	0.7	28%	0.281	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-117	146.3	176.4	-61.9	-179.7	-177.2	177.7	0	110.7	A141 Y142 D143 Y147	A141-K145 CarbonylContact C-O 3.6Å; A141-K145 WeakPolarHBondContact CA-O 3.45Å; A141-K145 VanDerWaalsContact CB-O 3.27Å; A141-K145 WeakPolarHBondContact CB-O 3.49Å; Y142-K145 PolarHBondContact N-O 2.98Å; Y142-K145 PolarHBondContact O-N 3.09Å; D143-K145 VanDerWaalsContact C-N 3.31Å; D143-K145 PolarHBondContact O-N 3.34Å; K145-Y147 PolarHBondContact O-N 2.62Å
146	D	98.7	Very high	98.3	Very high	126 Å²	126	53.2 Å²	53.2	67%	0.674	28%	0.278	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-53.7	136.1	173.7	-66.8	-22.9	0	0	0	110.6	A160	D146-A160 HydrophobicContact CB-CB 4.31Å; D146-A160 WeakPolarHBondContact O-CB 3.44Å
147	Y	98.8	Very high	98.3	Very high	4 Å²	4	53.5 Å²	53.5	2%	0.016	28%	0.277	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-114.4	-64.4	179.4	179.7	-111.7	0	0	0	110.5	L105 Y109 F119 F140 K145 A160 A163 A164 T167	L105-Y147 HydrophobicContact CD2-CD1 4.37Å; L105-Y147 HydrophobicContact CD2-CD2 4.12Å; L105-Y147 HydrophobicContact CD2-CE1 3.75Å; L105-Y147 HydrophobicContact CD2-CE2 3.43Å; L105-Y147 VanDerWaalsContact CD2-CE2 3.43Å; L105-Y147 WeakPolarHBondContact CD2-OH 3.35Å; Y109-Y147 HydrophobicContact CE2-CD2 4.39Å; Y109-Y147 HydrophobicContact CE2-CE2 4.1Å; Y109-Y147 WeakPolarHBondContact OH-CD2 3.31Å; Y109-Y147 WeakPolarHBondContact OH-CE2 3.38Å; F119-Y147 HydrophobicContact CE2-CD1 4.38Å; F140-Y147 HydrophobicContact CB-CD1 4.41Å; F140-Y147 WeakPolarHBondContact O-CB 3.43Å; F140-Y147 PolarHBondContact O-N 3.1Å; K145-Y147 PolarHBondContact O-N 2.62Å; Y147-A160 WeakPolarHBondContact O-CB 3.39Å; Y147-A160 PolarHBondContact O-N 3.37Å; Y147-A163 PolarHBondContact OH-O 2.91Å; Y147-A164 HydrophobicContact CD2-CB 3.8Å; Y147-A164 VanDerWaalsContact CE2-CA 3.47Å; Y147-A164 HydrophobicContact CE2-CB 3.65Å; Y147-A164 HydrophobicContact CG-CB 4.31Å; Y147-A164 WeakPolarHBondContact O-CB 3.23Å; Y147-T167 HydrophobicContact CE1-CG2 4.15Å; Y147-T167 WeakPolarHBondContact OH-CB 3.28Å; Y147-T167 PolarHBondContact OH-OG1 2.88Å
148	I	98.7	Very high	98.3	Very high	6 Å²	6	55.3 Å²	55.3	3%	0.031	29%	0.293	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-150.5	142.6	178.3	-162.9	170.4	0	0	0	110.3	F140 W157 T158 T167 Q168 L171	F140-I148 HydrophobicContact CB-CG2 4.11Å; F140-I148 HydrophobicContact CD2-CG2 3.77Å; F140-I148 HydrophobicContact CG-CG2 4.24Å; F140-I148 PolarHBondContact N-O 2.83Å; F140-I148 PolarHBondContact O-N 3.46Å; I148-W157 HydrophobicContact CD1-CB 4.2Å; I148-W157 HydrophobicContact CD1-CE3 4.29Å; I148-W157 HydrophobicContact CG1-CB 4.29Å; I148-W157 HydrophobicContact CG1-CE3 4.09Å; I148-T158 WeakPolarHBondContact CA-O 3.45Å; I148-T158 WeakPolarHBondContact CG1-O 3.5Å; I148-T167 HydrophobicContact CD1-CG2 4.14Å; I148-T167 HydrophobicContact CG2-CG2 4.49Å; I148-Q168 HydrophobicContact CD1-CB 3.8Å; I148-L171 HydrophobicContact CD1-CD1 3.9Å
149	A	98.8	Very high	98.3	Very high	32 Å²	32	56.2 Å²	56.2	26%	0.264	30%	0.3	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-135.1	140.2	179.1	0	0	0	0	0	111.7	Q139 W157 T158	Q139-A149 HydrophobicContact CB-CB 3.89Å; A149-W157 CarbonylContact O-C 3.51Å; A149-W157 WeakPolarHBondContact O-CA 3.07Å; A149-T158 PolarHBondContact N-O 3.15Å; A149-T158 PolarHBondContact O-N 2.77Å
150	L	98.8	Very high	98.3	Very high	14 Å²	14	55.4 Å²	55.4	7%	0.073	31%	0.307	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-70.5	128.5	167.9	-175.6	66.8	0	0	0	108.6	D138 L154 W157 A177 D180 L184	D138-L150 HydrophobicContact CB-CB 4.07Å; D138-L150 HydrophobicContact CB-CD2 4.24Å; D138-L150 WeakPolarHBondContact O-CB 3.46Å; D138-L150 PolarHBondContact O-N 2.98Å; L150-L154 HydrophobicContact CD2-CD2 3.78Å; L150-L154 HydrophobicContact CG-CD2 4.29Å; L150-W157 HydrophobicContact CB-CE3 4.04Å; L150-W157 HydrophobicContact CB-CH2 4.06Å; L150-W157 HydrophobicContact CB-CZ3 3.74Å; L150-W157 HydrophobicContact CD1-CD2 4.17Å; L150-W157 HydrophobicContact CD1-CE3 4.41Å; L150-W157 HydrophobicContact CD1-CH2 4.12Å; L150-W157 HydrophobicContact CD1-CZ2 3.86Å; L150-W157 HydrophobicContact CD1-CZ3 4.39Å; L150-A177 HydrophobicContact CD1-CB 3.88Å; L150-D180 HydrophobicContact CD2-CB 4.01Å; L150-L184 HydrophobicContact CD2-CD1 3.92Å
151	N	98.6	Very high	98.3	Very high	45 Å²	45	56.5 Å²	56.5	24%	0.241	31%	0.314	C	S	.	.			trans	-73.4	163.1	-179.6	-68.2	-29.7	0	0	0	111.4	D153 L154 S156 T158	N151-D153 PolarHBondContact O-N 3.32Å; N151-L154 WeakPolarHBondContact O-CA 2.98Å; N151-L154 PolarHBondContact O-N 3.39Å; N151-S156 WeakPolarHBondContact CB-O 3.25Å; N151-S156 WeakPolarHBondContact CB-OG 3.36Å; N151-S156 PolarHBondContact N-O 2.84Å; N151-S156 PolarHBondContact ND2-OG 3.31Å; N151-T158 PolarHBondContact ND2-OG1 3.28Å; N151-T158 WeakPolarHBondContact OD1-CB 3.47Å; N151-T158 PolarHBondContact OD1-OG1 3.09Å
152	E	97.4	Very high	98.3	Very high	135 Å²	135	61 Å²	61	63%	0.631	34%	0.34	S	S	*	.	T	Hydrogen-bonded Turn	trans	-59.2	-21.9	-179.8	-66.1	179	-163.5	0	0	113.7	R135 L154	R135-E152 VanDerWaalsContact CZ-CD 3.44Å; R135-E152 IonicContact CZ-OE1 3.89Å; R135-E152 IonicContact NH1-OE1 3.9Å; R135-E152 PolarHBondContact NH1-OE1 3Å; R135-E152 IonicContact NH1-OE2 2.89Å; R135-E152 VanDerWaalsContact NH2-CG 3.32Å; R135-E152 IonicContact NH2-OE1 3.58Å; R135-E152 PolarHBondContact NH2-OE1 3.45Å; E152-L154 PolarHBondContact O-N 3.16Å
153	D	97.3	Very high	98.2	Very high	79 Å²	79	60.8 Å²	60.8	42%	0.422	34%	0.34	S	S	.	.	T	Hydrogen-bonded Turn	trans	-71.6	-8.3	174.2	70.3	3.5	0	0	0	113.8	N151 R155 S156	N151-D153 PolarHBondContact O-N 3.32Å; D153-R155 VanDerWaalsContact O-CG 3.31Å; D153-R155 WeakPolarHBondContact O-CG 3.4Å; D153-R155 PolarHBondContact O-N 3.42Å; D153-R155 PolarHBondContact OD1-N 2.85Å; D153-S156 VanDerWaalsContact CG-OG 3.23Å; D153-S156 PolarHBondContact OD1-N 3.05Å; D153-S156 PolarHBondContact OD1-OG 2.9Å; D153-S156 VanDerWaalsContact OD1-OG 3.1Å; D153-S156 WeakPolarHBondContact OD2-CB 3.33Å; D153-S156 PolarHBondContact OD2-OG 2.98Å
154	L	97.9	Very high	98.2	Very high	9 Å²	9	57.9 Å²	57.9	5%	0.047	33%	0.325	C	S	.	.	S	Bend	trans	52.8	29.5	-175.3	-53.3	-178.8	0	0	0	113.4	L133 L150 N151 E152 R181 L184 E185	L133-L154 HydrophobicContact CD2-CD1 4.19Å; L150-L154 HydrophobicContact CD2-CD2 3.78Å; L150-L154 HydrophobicContact CG-CD2 4.29Å; N151-L154 WeakPolarHBondContact O-CA 2.98Å; N151-L154 PolarHBondContact O-N 3.39Å; E152-L154 PolarHBondContact O-N 3.16Å; L154-R181 HydrophobicContact CB-CB 4.05Å; L154-R181 HydrophobicContact CB-CG 3.86Å; L154-R181 HydrophobicContact CD1-CG 4.17Å; L154-L184 HydrophobicContact CD2-CD1 3.94Å; L154-E185 HydrophobicContact CD1-CG 4.25Å
155	R	97.5	Very high	98.3	Very high	165 Å²	165	58.7 Å²	58.7	62%	0.623	31%	0.313	S	S	*	.	S	Bend	trans	-136.3	-30.6	-173.8	-71.3	168.7	-174.6	-97.1	11.1	112.8	D153 R181	D153-R155 VanDerWaalsContact O-CG 3.31Å; D153-R155 WeakPolarHBondContact O-CG 3.4Å; D153-R155 PolarHBondContact O-N 3.42Å; D153-R155 PolarHBondContact OD1-N 2.85Å; R155-R181 VanDerWaalsContact CZ-NH1 3.34Å
156	S	97.8	Very high	98.3	Very high	40 Å²	40	53.9 Å²	53.9	28%	0.28	29%	0.294	S	S	.	.			trans	-117.4	162.7	-177.9	63.5	0	0	0	0	111.7	N151 D153	N151-S156 WeakPolarHBondContact CB-O 3.25Å; N151-S156 WeakPolarHBondContact CB-OG 3.36Å; N151-S156 PolarHBondContact N-O 2.84Å; N151-S156 PolarHBondContact ND2-OG 3.31Å; D153-S156 VanDerWaalsContact CG-OG 3.23Å; D153-S156 PolarHBondContact OD1-N 3.05Å; D153-S156 PolarHBondContact OD1-OG 2.9Å; D153-S156 VanDerWaalsContact OD1-OG 3.1Å; D153-S156 WeakPolarHBondContact OD2-CB 3.33Å; D153-S156 PolarHBondContact OD2-OG 2.98Å
157	W	98.6	Very high	98.3	Very high	11 Å²	11	49.3 Å²	49.3	4%	0.042	27%	0.271	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-120.5	145.8	-178	-61.2	87.4	0	0	0	110.5	F140 I148 A149 L150 Q168 L171 A176 A177 D180	F140-W157 HydrophobicContact CE2-CZ3 4.39Å; I148-W157 HydrophobicContact CD1-CB 4.2Å; I148-W157 HydrophobicContact CD1-CE3 4.29Å; I148-W157 HydrophobicContact CG1-CB 4.29Å; I148-W157 HydrophobicContact CG1-CE3 4.09Å; A149-W157 CarbonylContact O-C 3.51Å; A149-W157 WeakPolarHBondContact O-CA 3.07Å; L150-W157 HydrophobicContact CB-CE3 4.04Å; L150-W157 HydrophobicContact CB-CH2 4.06Å; L150-W157 HydrophobicContact CB-CZ3 3.74Å; L150-W157 HydrophobicContact CD1-CD2 4.17Å; L150-W157 HydrophobicContact CD1-CE3 4.41Å; L150-W157 HydrophobicContact CD1-CH2 4.12Å; L150-W157 HydrophobicContact CD1-CZ2 3.86Å; L150-W157 HydrophobicContact CD1-CZ3 4.39Å; W157-Q168 HydrophobicContact CB-CG 4.18Å; W157-Q168 PolarHBondContact O-NE2 3.01Å; W157-L171 HydrophobicContact CD2-CD1 3.84Å; W157-L171 HydrophobicContact CE3-CD1 3.93Å; W157-L171 HydrophobicContact CH2-CD1 3.98Å; W157-L171 HydrophobicContact CZ2-CB 4.47Å; W157-L171 HydrophobicContact CZ2-CD1 3.88Å; W157-L171 HydrophobicContact CZ3-CD1 3.99Å; W157-A176 HydrophobicContact CZ2-CB 4.32Å; W157-A177 HydrophobicContact CZ2-CB 4.32Å; W157-D180 WeakPolarHBondContact CH2-OD2 3.47Å; W157-D180 WeakPolarHBondContact CZ2-OD2 3.38Å
158	T	98.6	Very high	98.2	Very high	78 Å²	78	51 Å²	51	48%	0.479	28%	0.279	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-108.8	117.3	167.9	-66.1	0	0	0	0	109.1	I148 A149 N151	I148-T158 WeakPolarHBondContact CA-O 3.45Å; I148-T158 WeakPolarHBondContact CG1-O 3.5Å; A149-T158 PolarHBondContact N-O 3.15Å; A149-T158 PolarHBondContact O-N 2.77Å; N151-T158 PolarHBondContact ND2-OG1 3.28Å; N151-T158 WeakPolarHBondContact OD1-CB 3.47Å; N151-T158 PolarHBondContact OD1-OG1 3.09Å
159	A	98.7	Very high	98.2	Very high	22 Å²	22	58.1 Å²	58.1	18%	0.182	31%	0.305	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-93.3	133.1	175	0	0	0	0	0	110.6	A164 Q165 Q168	A159-A164 HydrophobicContact CB-CB 3.72Å; A159-Q165 HydrophobicContact CB-CG 3.95Å; A159-Q168 HydrophobicContact CB-CB 4.39Å
160	A	98.4	Very high	98.2	Very high	60 Å²	60	62.3 Å²	62.3	50%	0.496	32%	0.317	S	S	.	.	S	Bend	trans	-75.6	-30.6	-177.4	0	0	0	0	0	113.4	D146 Y147	D146-A160 HydrophobicContact CB-CB 4.31Å; D146-A160 WeakPolarHBondContact O-CB 3.44Å; Y147-A160 WeakPolarHBondContact O-CB 3.39Å; Y147-A160 PolarHBondContact O-N 3.37Å
161	D	98.3	Very high	98.2	Very high	52 Å²	52	63.5 Å²	63.5	28%	0.278	32%	0.324	S	S	.	.	S	Bend	trans	-150.5	-175.9	-178.7	68	30.2	0	0	0	113.2	Y109 A163 A164 Q165	Y109-D161 VanDerWaalsContact CE1-OD2 3.23Å; Y109-D161 WeakPolarHBondContact CE1-OD2 3.46Å; Y109-D161 VanDerWaalsContact OH-CG 3.25Å; Y109-D161 PolarHBondContact OH-OD1 3.31Å; Y109-D161 PolarHBondContact OH-OD2 3.36Å; D161-A163 VanDerWaalsContact C-N 3.31Å; D161-A163 PolarHBondContact O-N 2.96Å; D161-A163 WeakPolarHBondContact OD1-CA 3.35Å; D161-A163 WeakPolarHBondContact OD1-CB 3.34Å; D161-A163 PolarHBondContact OD1-N 3.01Å; D161-A164 PolarHBondContact O-N 3.33Å; D161-A164 PolarHBondContact OD1-N 2.88Å; D161-Q165 WeakPolarHBondContact O-CG 3.4Å; D161-Q165 PolarHBondContact O-N 2.93Å
162	T	98	Very high	98.1	Very high	110 Å²	110	66 Å²	66	68%	0.675	33%	0.334	S	S	*	.	H	α-helix	trans	-65.8	-28.5	-179.2	50.9	0	0	0	0	114
163	A	97.9	Very high	98.2	Very high	7 Å²	7	63.8 Å²	63.8	6%	0.058	34%	0.339	C	S	.	.	H	α-helix	trans	-73.1	-43.2	175.3	0	0	0	0	0	110	Y109 Y147 D161 Q165 I166	Y109-A163 HydrophobicContact CD1-CB 4.17Å; Y109-A163 HydrophobicContact CD2-CB 4.44Å; Y109-A163 HydrophobicContact CE1-CB 3.62Å; Y109-A163 HydrophobicContact CE2-CB 3.91Å; Y109-A163 VanDerWaalsContact CZ-CB 3.48Å; Y147-A163 PolarHBondContact OH-O 2.91Å; D161-A163 VanDerWaalsContact C-N 3.31Å; D161-A163 PolarHBondContact O-N 2.96Å; D161-A163 WeakPolarHBondContact OD1-CA 3.35Å; D161-A163 WeakPolarHBondContact OD1-CB 3.34Å; D161-A163 PolarHBondContact OD1-N 3.01Å; A163-Q165 VanDerWaalsContact C-N 3.27Å; A163-Q165 PolarHBondContact O-N 3.18Å; A163-I166 VanDerWaalsContact O-CB 3.25Å; A163-I166 WeakPolarHBondContact O-CB 3.41Å; A163-I166 PolarHBondContact O-N 3.09Å
164	A	98.4	Very high	98.2	Very high	0 Å²	0	63.2 Å²	63.2	0%	0	35%	0.345	C	S	.	.	H	α-helix	trans	-59.9	-34.1	174	0	0	0	0	0	113.2	Y147 A159 D161 I166 T167 Q168	Y147-A164 HydrophobicContact CD2-CB 3.8Å; Y147-A164 VanDerWaalsContact CE2-CA 3.47Å; Y147-A164 HydrophobicContact CE2-CB 3.65Å; Y147-A164 HydrophobicContact CG-CB 4.31Å; Y147-A164 WeakPolarHBondContact O-CB 3.23Å; A159-A164 HydrophobicContact CB-CB 3.72Å; D161-A164 PolarHBondContact O-N 3.33Å; D161-A164 PolarHBondContact OD1-N 2.88Å; A164-I166 PolarHBondContact O-N 3.28Å; A164-T167 WeakPolarHBondContact O-CA 3.49Å; A164-T167 WeakPolarHBondContact O-CB 3.36Å; A164-T167 PolarHBondContact O-N 2.82Å; A164-Q168 PolarHBondContact O-N 2.84Å
165	Q	98.6	Very high	98.2	Very high	77 Å²	77	70.6 Å²	70.6	36%	0.36	37%	0.372	S	S	.	.	H	α-helix	trans	-59.9	-27.8	173.5	-72.7	174.5	12	0	0	113.2	A159 D161 A163 R169	A159-Q165 HydrophobicContact CB-CG 3.95Å; D161-Q165 WeakPolarHBondContact O-CG 3.4Å; D161-Q165 PolarHBondContact O-N 2.93Å; A163-Q165 VanDerWaalsContact C-N 3.27Å; A163-Q165 PolarHBondContact O-N 3.18Å; Q165-R169 WeakPolarHBondContact O-CG 3.23Å; Q165-R169 PolarHBondContact O-N 3.14Å; Q165-R169 VanDerWaalsContact O-N 3.16Å
166	I	98.2	Very high	98.2	Very high	60 Å²	60	63.3 Å²	63.3	31%	0.308	35%	0.347	S	S	.	.	H	α-helix	trans	-66.4	-44.7	173.9	-56.6	171.9	0	0	0	109.7	Y108 A163 A164 K170	Y108-I166 HydrophobicContact CD1-CD1 4.26Å; Y108-I166 HydrophobicContact CE1-CG2 4.17Å; Y108-I166 HydrophobicContact CE2-CB 4.2Å; Y108-I166 HydrophobicContact CE2-CG2 4.08Å; Y108-I166 HydrophobicContact CG-CD1 4.26Å; A163-I166 VanDerWaalsContact O-CB 3.25Å; A163-I166 WeakPolarHBondContact O-CB 3.41Å; A163-I166 PolarHBondContact O-N 3.09Å; A164-I166 PolarHBondContact O-N 3.28Å; I166-K170 WeakPolarHBondContact O-CG 3.31Å; I166-K170 PolarHBondContact O-N 3.13Å
167	T	98.2	Very high	98.2	Very high	29 Å²	29	61.8 Å²	61.8	18%	0.178	34%	0.337	C	S	.	.	H	α-helix	trans	-65.2	-44.1	174.8	-70.5	0	0	0	0	111.3	Y147 I148 A164 R169 K170 L171	Y147-T167 HydrophobicContact CE1-CG2 4.15Å; Y147-T167 WeakPolarHBondContact OH-CB 3.28Å; Y147-T167 PolarHBondContact OH-OG1 2.88Å; I148-T167 HydrophobicContact CD1-CG2 4.14Å; I148-T167 HydrophobicContact CG2-CG2 4.49Å; A164-T167 WeakPolarHBondContact O-CA 3.49Å; A164-T167 WeakPolarHBondContact O-CB 3.36Å; A164-T167 PolarHBondContact O-N 2.82Å; T167-R169 VanDerWaalsContact C-N 3.35Å; T167-R169 PolarHBondContact O-N 3.46Å; T167-K170 WeakPolarHBondContact O-CA 3.29Å; T167-K170 WeakPolarHBondContact O-CB 3.24Å; T167-K170 PolarHBondContact O-N 2.82Å; T167-L171 HydrophobicContact CG2-CD1 3.85Å; T167-L171 HydrophobicContact CG2-CG 4Å; T167-L171 WeakPolarHBondContact O-CG 2.98Å; T167-L171 PolarHBondContact O-N 2.88Å
168	Q	98.6	Very high	98.1	Very high	41 Å²	41	66.9 Å²	66.9	19%	0.192	36%	0.361	C	S	.	.	H	α-helix	trans	-51.6	-51.8	177.6	177.2	173.6	8.9	0	0	111.9	I148 W157 A159 A164 K170 L171 E172	I148-Q168 HydrophobicContact CD1-CB 3.8Å; W157-Q168 HydrophobicContact CB-CG 4.18Å; W157-Q168 PolarHBondContact O-NE2 3.01Å; A159-Q168 HydrophobicContact CB-CB 4.39Å; A164-Q168 PolarHBondContact O-N 2.84Å; Q168-K170 VanDerWaalsContact C-N 3.25Å; Q168-K170 PolarHBondContact O-N 2.86Å; Q168-L171 PolarHBondContact O-N 2.98Å; Q168-L171 VanDerWaalsContact O-N 3.13Å; Q168-E172 HydrophobicContact CG-CG 4.35Å; Q168-E172 VanDerWaalsContact CG-OE1 3.27Å; Q168-E172 WeakPolarHBondContact CG-OE1 3.3Å; Q168-E172 PolarHBondContact NE2-OE1 3.1Å; Q168-E172 WeakPolarHBondContact O-CB 3.15Å; Q168-E172 WeakPolarHBondContact O-CG 3.39Å; Q168-E172 PolarHBondContact O-N 3.36Å
169	R	98.6	Very high	98	Very high	154 Å²	154	70 Å²	70	58%	0.581	37%	0.37	S	S	*	.	H	α-helix	trans	-59.5	-35.6	178.7	-67.3	171.1	-164.6	149	8.2	112.6	Q165 T167 A173	Q165-R169 WeakPolarHBondContact O-CG 3.23Å; Q165-R169 PolarHBondContact O-N 3.14Å; Q165-R169 VanDerWaalsContact O-N 3.16Å; T167-R169 VanDerWaalsContact C-N 3.35Å; T167-R169 PolarHBondContact O-N 3.46Å; R169-A173 VanDerWaalsContact O-CB 3.24Å; R169-A173 WeakPolarHBondContact O-CB 3.39Å; R169-A173 PolarHBondContact O-N 2.7Å
170	K	97.9	Very high	98	Very high	120 Å²	120	70.3 Å²	70.3	52%	0.522	37%	0.369	S	S	.	.	H	α-helix	trans	-68.8	-43.9	176.4	-70.5	177.7	175.2	-174.2	0	111.6	Y108 I166 T167 Q168 A173 A174	Y108-K170 PolarHBondContact OH-NZ 3.47Å; I166-K170 WeakPolarHBondContact O-CG 3.31Å; I166-K170 PolarHBondContact O-N 3.13Å; T167-K170 WeakPolarHBondContact O-CA 3.29Å; T167-K170 WeakPolarHBondContact O-CB 3.24Å; T167-K170 PolarHBondContact O-N 2.82Å; Q168-K170 VanDerWaalsContact C-N 3.25Å; Q168-K170 PolarHBondContact O-N 2.86Å; K170-A173 PolarHBondContact O-N 2.81Å; K170-A174 VanDerWaalsContact O-CB 3.29Å; K170-A174 WeakPolarHBondContact O-CB 3.3Å; K170-A174 PolarHBondContact O-N 3.29Å
171	L	97.9	Very high	98	Very high	40 Å²	40	70.8 Å²	70.8	21%	0.209	36%	0.358	C	S	.	.	H	α-helix	trans	-64.8	-42.7	177.8	-66.3	178.4	0	0	0	111.5	I148 W157 T167 Q168 A174 R175 A176	I148-L171 HydrophobicContact CD1-CD1 3.9Å; W157-L171 HydrophobicContact CD2-CD1 3.84Å; W157-L171 HydrophobicContact CE3-CD1 3.93Å; W157-L171 HydrophobicContact CH2-CD1 3.98Å; W157-L171 HydrophobicContact CZ2-CB 4.47Å; W157-L171 HydrophobicContact CZ2-CD1 3.88Å; W157-L171 HydrophobicContact CZ3-CD1 3.99Å; T167-L171 HydrophobicContact CG2-CD1 3.85Å; T167-L171 HydrophobicContact CG2-CG 4Å; T167-L171 WeakPolarHBondContact O-CG 2.98Å; T167-L171 PolarHBondContact O-N 2.88Å; Q168-L171 PolarHBondContact O-N 2.98Å; Q168-L171 VanDerWaalsContact O-N 3.13Å; L171-A174 CarbonylContact O-C 3.57Å; L171-A174 PolarHBondContact O-N 2.88Å; L171-R175 PolarHBondContact O-N 2.88Å; L171-A176 HydrophobicContact CB-CB 4.01Å; L171-A176 HydrophobicContact CD2-CB 3.66Å; L171-A176 HydrophobicContact CG-CB 4.4Å; L171-A176 PolarHBondContact O-N 3.21Å
172	E	98.3	Very high	98	Very high	97 Å²	97	71.3 Å²	71.3	45%	0.453	37%	0.37	S	S	.	.	H	α-helix	trans	-63.4	-47.1	175.9	-72.2	170.2	175.9	0	0	111.6	Q168 A174 R175	Q168-E172 HydrophobicContact CG-CG 4.35Å; Q168-E172 VanDerWaalsContact CG-OE1 3.27Å; Q168-E172 WeakPolarHBondContact CG-OE1 3.3Å; Q168-E172 PolarHBondContact NE2-OE1 3.1Å; Q168-E172 WeakPolarHBondContact O-CB 3.15Å; Q168-E172 WeakPolarHBondContact O-CG 3.39Å; Q168-E172 PolarHBondContact O-N 3.36Å; E172-A174 VanDerWaalsContact C-N 3.26Å; E172-A174 PolarHBondContact O-N 2.85Å; E172-R175 PolarHBondContact O-N 3.03Å
173	A	98.3	Very high	98	Very high	89 Å²	89	68.9 Å²	68.9	74%	0.736	35%	0.349	S	S	*	.	H	α-helix	trans	-61.6	-34.8	176.8	0	0	0	0	0	112.7	R169 K170 R175	R169-A173 VanDerWaalsContact O-CB 3.24Å; R169-A173 WeakPolarHBondContact O-CB 3.39Å; R169-A173 PolarHBondContact O-N 2.7Å; K170-A173 PolarHBondContact O-N 2.81Å; A173-R175 VanDerWaalsContact C-N 3.33Å
174	A	97.6	Very high	98	Very high	67 Å²	67	68.7 Å²	68.7	55%	0.554	35%	0.347	S	S	*	.	T	Hydrogen-bonded Turn	trans	-84.5	-4.7	176.5	0	0	0	0	0	113.9	K170 L171 E172 A176	K170-A174 VanDerWaalsContact O-CB 3.29Å; K170-A174 WeakPolarHBondContact O-CB 3.3Å; K170-A174 PolarHBondContact O-N 3.29Å; L171-A174 CarbonylContact O-C 3.57Å; L171-A174 PolarHBondContact O-N 2.88Å; E172-A174 VanDerWaalsContact C-N 3.26Å; E172-A174 PolarHBondContact O-N 2.85Å; A174-A176 PolarHBondContact O-N 3.18Å
175	R	97.3	Very high	98	Very high	164 Å²	164	72.9 Å²	72.9	62%	0.619	37%	0.366	S	S	*	.	T	Hydrogen-bonded Turn	trans	52.6	38.5	-172.5	-55.4	-177	176.8	-162.4	1.5	113.4	L171 E172 A173 A177 E178	L171-R175 PolarHBondContact O-N 2.88Å; E172-R175 PolarHBondContact O-N 3.03Å; A173-R175 VanDerWaalsContact C-N 3.33Å; R175-A177 PolarHBondContact O-N 2.86Å; R175-E178 HydrophobicContact CB-CG 4.26Å; R175-E178 IonicContact NH1-OE1 2.65Å; R175-E178 WeakPolarHBondContact O-CB 3.38Å; R175-E178 PolarHBondContact O-N 3.38Å
176	A	97.3	Very high	97.9	Very high	11 Å²	11	70.3 Å²	70.3	9%	0.091	36%	0.361	C	S	.	.	H	α-helix	trans	-56.8	-37.4	-175.9	0	0	0	0	0	112.9	W157 L171 A174 E178 Q179 D180	W157-A176 HydrophobicContact CZ2-CB 4.32Å; L171-A176 HydrophobicContact CB-CB 4.01Å; L171-A176 HydrophobicContact CD2-CB 3.66Å; L171-A176 HydrophobicContact CG-CB 4.4Å; L171-A176 PolarHBondContact O-N 3.21Å; A174-A176 PolarHBondContact O-N 3.18Å; A176-E178 PolarHBondContact O-N 3.19Å; A176-E178 VanDerWaalsContact O-N 3.13Å; A176-Q179 WeakPolarHBondContact O-CB 3.41Å; A176-Q179 PolarHBondContact O-N 3.31Å; A176-D180 PolarHBondContact O-N 2.72Å; A176-D180 VanDerWaalsContact O-N 3.09Å
177	A	98	Very high	97.9	Very high	8 Å²	8	70 Å²	70	7%	0.066	36%	0.361	C	S	.	.	H	α-helix	trans	-57.2	-30.4	177.9	0	0	0	0	0	113.4	L150 W157 R175 Q179 R181	L150-A177 HydrophobicContact CD1-CB 3.88Å; W157-A177 HydrophobicContact CZ2-CB 4.32Å; R175-A177 PolarHBondContact O-N 2.86Å; A177-Q179 VanDerWaalsContact C-N 3.31Å; A177-Q179 PolarHBondContact O-N 2.69Å; A177-R181 WeakPolarHBondContact O-CB 3.44Å; A177-R181 PolarHBondContact O-N 2.98Å
178	E	97.8	Very high	97.9	Very high	119 Å²	119	68.6 Å²	68.6	56%	0.556	35%	0.353	S	S	*	.	H	α-helix	trans	-66.3	-36	176.2	-64.4	179.4	-177.4	0	0	111.6	R175 A176 A182	R175-E178 HydrophobicContact CB-CG 4.26Å; R175-E178 IonicContact NH1-OE1 2.65Å; R175-E178 WeakPolarHBondContact O-CB 3.38Å; R175-E178 PolarHBondContact O-N 3.38Å; A176-E178 PolarHBondContact O-N 3.19Å; A176-E178 VanDerWaalsContact O-N 3.13Å; E178-A182 WeakPolarHBondContact O-CB 3.43Å; E178-A182 PolarHBondContact O-N 2.89Å; E178-A182 VanDerWaalsContact O-N 3.07Å
179	Q	96.6	Very high	97.9	Very high	142 Å²	142	67 Å²	67	66%	0.664	35%	0.345	S	S	*	.	H	α-helix	trans	-73.3	-45.8	177.8	-61.2	179.8	-1.5	0	0	111.1	A176 A177 R181 A182 Y183	A176-Q179 WeakPolarHBondContact O-CB 3.41Å; A176-Q179 PolarHBondContact O-N 3.31Å; A177-Q179 VanDerWaalsContact C-N 3.31Å; A177-Q179 PolarHBondContact O-N 2.69Å; Q179-R181 VanDerWaalsContact C-N 3.33Å; Q179-R181 PolarHBondContact O-N 3.16Å; Q179-A182 PolarHBondContact O-N 3.27Å; Q179-Y183 PolarHBondContact O-N 3.38Å
180	D	97.3	Very high	97.9	Very high	29 Å²	29	65.6 Å²	65.6	16%	0.155	35%	0.346	C	S	.	.	H	α-helix	trans	-62.3	-44	178	-62.2	-39.9	0	0	0	110.4	R121 L150 W157 A176 A182 Y183 L184	R121-D180 IonicContact NH2-OD1 2.85Å; L150-D180 HydrophobicContact CD2-CB 4.01Å; W157-D180 WeakPolarHBondContact CH2-OD2 3.47Å; W157-D180 WeakPolarHBondContact CZ2-OD2 3.38Å; A176-D180 PolarHBondContact O-N 2.72Å; A176-D180 VanDerWaalsContact O-N 3.09Å; D180-A182 PolarHBondContact O-N 2.63Å; D180-Y183 PolarHBondContact O-N 2.83Å; D180-L184 WeakPolarHBondContact O-CB 3.29Å; D180-L184 WeakPolarHBondContact O-CG 3.35Å; D180-L184 PolarHBondContact O-N 2.65Å
181	R	98.2	Very high	97.9	Very high	70 Å²	70	62 Å²	62	26%	0.264	33%	0.329	S	S	.	.	H	α-helix	trans	-59.6	-44.9	174.4	-175.4	172.8	-180	-129.1	-14.5	112.6	L154 R155 A177 Q179 Y183 L184 E185	L154-R181 HydrophobicContact CB-CB 4.05Å; L154-R181 HydrophobicContact CB-CG 3.86Å; L154-R181 HydrophobicContact CD1-CG 4.17Å; R155-R181 VanDerWaalsContact CZ-NH1 3.34Å; A177-R181 WeakPolarHBondContact O-CB 3.44Å; A177-R181 PolarHBondContact O-N 2.98Å; Q179-R181 VanDerWaalsContact C-N 3.33Å; Q179-R181 PolarHBondContact O-N 3.16Å; R181-Y183 VanDerWaalsContact C-N 3.3Å; R181-Y183 PolarHBondContact O-N 3.03Å; R181-L184 PolarHBondContact O-N 3.22Å; R181-E185 HydrophobicContact CG-CG 4.07Å; R181-E185 IonicContact CZ-OE1 3.68Å; R181-E185 VanDerWaalsContact CZ-OE1 3.23Å; R181-E185 IonicContact CZ-OE2 2.75Å; R181-E185 VanDerWaalsContact NE-CD 3.32Å; R181-E185 IonicContact NE-OE1 3.47Å; R181-E185 PolarHBondContact NE-OE1 2.85Å; R181-E185 IonicContact NE-OE2 3.27Å; R181-E185 PolarHBondContact NE-OE2 2.86Å; R181-E185 IonicContact NH2-OE1 3.49Å; R181-E185 PolarHBondContact NH2-OE1 2.83Å; R181-E185 IonicContact NH2-OE2 2.74Å; R181-E185 PolarHBondContact NH2-OE2 2.67Å; R181-E185 WeakPolarHBondContact O-CB 3.48Å; R181-E185 PolarHBondContact O-N 2.85Å
182	A	98.3	Very high	97.9	Very high	64 Å²	64	60.1 Å²	60.1	53%	0.529	32%	0.319	S	S	.	.	H	α-helix	trans	-61.8	-38.4	178.1	0	0	0	0	0	112.2	E178 Q179 D180 G186	E178-A182 WeakPolarHBondContact O-CB 3.43Å; E178-A182 PolarHBondContact O-N 2.89Å; E178-A182 VanDerWaalsContact O-N 3.07Å; Q179-A182 PolarHBondContact O-N 3.27Å; D180-A182 PolarHBondContact O-N 2.63Å; A182-G186 PolarHBondContact O-N 3.34Å
183	Y	98.1	Very high	97.8	Very high	59 Å²	59	61.2 Å²	61.2	23%	0.231	32%	0.319	C	S	.	.	I	π-helix	trans	-66.8	-48.5	173.2	169.9	-99	0	0	0	111.8	Y123 Q179 D180 R181 G186 T187 C188	Y123-Y183 AromaticContact CD2-CE1 3.88Å; Y123-Y183 HydrophobicContact CD2-CE1 3.88Å; Y123-Y183 AromaticContact CE2-CE1 3.97Å; Y123-Y183 HydrophobicContact CE2-CE1 3.97Å; Q179-Y183 PolarHBondContact O-N 3.38Å; D180-Y183 PolarHBondContact O-N 2.83Å; R181-Y183 VanDerWaalsContact C-N 3.3Å; R181-Y183 PolarHBondContact O-N 3.03Å; Y183-G186 CarbonylContact O-C 3.54Å; Y183-G186 PolarHBondContact O-N 3.3Å; Y183-T187 HydrophobicContact CD2-CG2 3.95Å; Y183-T187 HydrophobicContact CE2-CG2 3.84Å; Y183-T187 PolarHBondContact O-N 3.39Å; Y183-T187 VanDerWaalsContact O-N 3.09Å; Y183-C188 HydrophobicContact CD1-CB 4.33Å; Y183-C188 HydrophobicContact CE1-CB 3.88Å; Y183-C188 WeakPolarHBondContact O-CB 3.49Å; Y183-C188 PolarHBondContact O-N 2.71Å
184	L	98.4	Very high	97.7	Very high	2 Å²	2	62.8 Å²	62.8	1%	0.01	31%	0.306	C	S	.	.	I	π-helix	trans	-68	-40.4	-174.8	-70.4	171	0	0	0	112.8	G124 L150 L154 D180 R181 V189	G124-L184 WeakPolarHBondContact O-CD2 3.27Å; L150-L184 HydrophobicContact CD2-CD1 3.92Å; L154-L184 HydrophobicContact CD2-CD1 3.94Å; D180-L184 WeakPolarHBondContact O-CB 3.29Å; D180-L184 WeakPolarHBondContact O-CG 3.35Å; D180-L184 PolarHBondContact O-N 2.65Å; R181-L184 PolarHBondContact O-N 3.22Å; L184-V189 WeakPolarHBondContact O-CG2 3.29Å
185	E	97.9	Very high	97.7	Very high	89 Å²	89	59.7 Å²	59.7	42%	0.416	28%	0.28	S	S	.	.	I	π-helix	trans	-79.4	-23.8	177.7	-68.9	-178.3	168.1	0	0	113.2	L133 L154 R181	L133-E185 HydrophobicContact CD2-CB 4.38Å; L133-E185 HydrophobicContact CD2-CG 3.66Å; L154-E185 HydrophobicContact CD1-CG 4.25Å; R181-E185 HydrophobicContact CG-CG 4.07Å; R181-E185 IonicContact CZ-OE1 3.68Å; R181-E185 VanDerWaalsContact CZ-OE1 3.23Å; R181-E185 IonicContact CZ-OE2 2.75Å; R181-E185 VanDerWaalsContact NE-CD 3.32Å; R181-E185 IonicContact NE-OE1 3.47Å; R181-E185 PolarHBondContact NE-OE1 2.85Å; R181-E185 IonicContact NE-OE2 3.27Å; R181-E185 PolarHBondContact NE-OE2 2.86Å; R181-E185 IonicContact NH2-OE1 3.49Å; R181-E185 PolarHBondContact NH2-OE1 2.83Å; R181-E185 IonicContact NH2-OE2 2.74Å; R181-E185 PolarHBondContact NH2-OE2 2.67Å; R181-E185 WeakPolarHBondContact O-CB 3.48Å; R181-E185 PolarHBondContact O-N 2.85Å
186	G	97.7	Very high	97.7	Very high	23 Å²	23	52.6 Å²	52.6	24%	0.237	25%	0.254	C	S	.	.	I	π-helix	trans	-110.3	-90.3	-176.6	0	0	0	0	0	112.6	A182 Y183 C188 V189 E190	A182-G186 PolarHBondContact O-N 3.34Å; Y183-G186 CarbonylContact O-C 3.54Å; Y183-G186 PolarHBondContact O-N 3.3Å; G186-C188 VanDerWaalsContact C-N 3.33Å; G186-C188 PolarHBondContact O-N 2.87Å; G186-V189 PolarHBondContact O-N 2.92Å; G186-V189 VanDerWaalsContact O-N 3.15Å; G186-E190 WeakPolarHBondContact O-CG 3.36Å; G186-E190 PolarHBondContact O-N 2.99Å
187	T	97.7	Very high	97.6	Very high	53 Å²	53	57.9 Å²	57.9	33%	0.325	28%	0.277	S	S	.	.	I	π-helix	trans	-55.2	-43.1	-170.4	-58.1	0	0	0	0	113	Y183 V189 E190 W191	Y183-T187 HydrophobicContact CD2-CG2 3.95Å; Y183-T187 HydrophobicContact CE2-CG2 3.84Å; Y183-T187 PolarHBondContact O-N 3.39Å; Y183-T187 VanDerWaalsContact O-N 3.09Å; T187-V189 PolarHBondContact O-N 2.74Å; T187-E190 PolarHBondContact O-N 3.09Å; T187-W191 VanDerWaalsContact CG2-CD1 3.46Å; T187-W191 PolarHBondContact O-N 2.83Å
188	C	98.3	Very high	97.5	Very high	0 Å²	0	59.9 Å²	59.9	0%	0	29%	0.287	C	S	.	.	H	α-helix	trans	-59.8	-49.2	179.3	-171.8	0	0	0	0	111.6	M29 C125 Y183 G186 E190 W191 L192	M29-C188 HydrophobicContact CE-CB 4.21Å; M29-C188 VanDerWaalsContact CE-O 3.22Å; M29-C188 WeakPolarHBondContact CE-O 3.47Å; M29-C188 WeakPolarHBondContact CE-SG 3.36Å; C125-C188 HydrophobicContact CB-CB 3.92Å; C125-C188 WeakPolarHBondContact CB-SG 3.18Å; C125-C188 PolarHBondContact N-SG 3.09Å; C125-C188 VanDerWaalsContact N-SG 3.36Å; C125-C188 WeakPolarHBondContact SG-CB 3.27Å; C125-C188 CovalentContact SG-SG 2.04Å; C125-C188 PolarHBondContact SG-SG 3.41Å; Y183-C188 HydrophobicContact CD1-CB 4.33Å; Y183-C188 HydrophobicContact CE1-CB 3.88Å; Y183-C188 WeakPolarHBondContact O-CB 3.49Å; Y183-C188 PolarHBondContact O-N 2.71Å; G186-C188 VanDerWaalsContact C-N 3.33Å; G186-C188 PolarHBondContact O-N 2.87Å; C188-E190 PolarHBondContact O-N 3.22Å; C188-W191 PolarHBondContact O-N 3.03Å; C188-L192 WeakPolarHBondContact O-CB 3.49Å; C188-L192 PolarHBondContact O-N 2.83Å
189	V	98.2	Very high	97.4	Very high	6 Å²	6	54.3 Å²	54.3	4%	0.036	26%	0.261	C	S	.	.	H	α-helix	trans	-61	-44.7	178.2	175.4	0	0	0	0	111.4	L127 L133 L184 G186 T187 L192 R193	L127-V189 HydrophobicContact CD2-CB 4.16Å; L127-V189 HydrophobicContact CD2-CG1 3.74Å; L127-V189 HydrophobicContact CD2-CG2 3.83Å; L133-V189 HydrophobicContact CB-CG2 4.05Å; L133-V189 HydrophobicContact CD1-CG2 4.07Å; L184-V189 WeakPolarHBondContact O-CG2 3.29Å; G186-V189 PolarHBondContact O-N 2.92Å; G186-V189 VanDerWaalsContact O-N 3.15Å; T187-V189 PolarHBondContact O-N 2.74Å; V189-L192 PolarHBondContact O-N 2.92Å; V189-R193 VanDerWaalsContact CG1-CZ 3.46Å; V189-R193 WeakPolarHBondContact O-CG 3.43Å; V189-R193 PolarHBondContact O-N 3.48Å
190	E	97.9	Very high	97.2	Very high	126 Å²	126	52.6 Å²	52.6	59%	0.589	25%	0.251	S	S	*	.	H	α-helix	trans	-61.5	-46.1	179.3	-71.8	175	175	0	0	112.2	G186 T187 C188 R194	G186-E190 WeakPolarHBondContact O-CG 3.36Å; G186-E190 PolarHBondContact O-N 2.99Å; T187-E190 PolarHBondContact O-N 3.09Å; C188-E190 PolarHBondContact O-N 3.22Å; E190-R194 PolarHBondContact O-N 2.84Å; E190-R194 VanDerWaalsContact O-N 3.1Å
191	W	97.9	Very high	97	Very high	45 Å²	45	60.5 Å²	60.5	17%	0.17	28%	0.284	C	S	.	.	H	α-helix	trans	-68.1	-42.9	178.6	-81.8	102.9	0	0	0	112.2	M29 Y83 T187 C188 R193 R194 Y195	M29-W191 HydrophobicContact CE-CB 4.04Å; M29-W191 HydrophobicContact SD-CB 4.42Å; Y83-W191 AromaticContact CD2-CH2 3.53Å; Y83-W191 HydrophobicContact CD2-CH2 3.53Å; Y83-W191 HydrophobicContact CD2-CZ2 4.25Å; Y83-W191 AromaticContact CD2-CZ3 3.74Å; Y83-W191 HydrophobicContact CD2-CZ3 3.74Å; Y83-W191 HydrophobicContact CE2-CE3 4.22Å; Y83-W191 AromaticContact CE2-CH2 3.93Å; Y83-W191 HydrophobicContact CE2-CH2 3.93Å; Y83-W191 AromaticContact CE2-CZ3 3.73Å; Y83-W191 HydrophobicContact CE2-CZ3 3.73Å; T187-W191 VanDerWaalsContact CG2-CD1 3.46Å; T187-W191 PolarHBondContact O-N 2.83Å; C188-W191 PolarHBondContact O-N 3.03Å; W191-R193 VanDerWaalsContact C-N 3.34Å; W191-R193 PolarHBondContact O-N 3.28Å; W191-R194 WeakPolarHBondContact O-CB 3.37Å; W191-R194 PolarHBondContact O-N 3.29Å; W191-R194 VanDerWaalsContact O-N 3.15Å; W191-Y195 HydrophobicContact CB-CE2 3.99Å; W191-Y195 HydrophobicContact CE3-CD1 4.46Å; W191-Y195 AromaticContact CE3-CE1 3.58Å; W191-Y195 HydrophobicContact CE3-CE1 3.58Å; W191-Y195 HydrophobicContact CE3-CE2 4.21Å; W191-Y195 AromaticContact CE3-CZ 3.42Å; W191-Y195 VanDerWaalsContact CE3-CZ 3.42Å; W191-Y195 AromaticContact CZ3-CE1 3.97Å; W191-Y195 HydrophobicContact CZ3-CE1 3.97Å; W191-Y195 VanDerWaalsContact O-CD2 3.26Å; W191-Y195 WeakPolarHBondContact O-CD2 3.48Å; W191-Y195 VanDerWaalsContact O-CG 3.26Å; W191-Y195 PolarHBondContact O-N 2.83Å
192	L	98.1	Very high	96.6	Very high	0 Å²	0	59.4 Å²	59.4	0%	0	29%	0.286	C	S	.	.	H	α-helix	trans	-59.5	-44.9	176.9	175	50.3	0	0	0	111.2	H27 M29 V52 L127 C188 V189 R194 Y195 L196	H27-L192 HydrophobicContact CB-CD1 4.46Å; M29-L192 HydrophobicContact CB-CB 4.06Å; M29-L192 HydrophobicContact CB-CD1 4.04Å; M29-L192 HydrophobicContact CB-CD2 3.96Å; M29-L192 HydrophobicContact CB-CG 4.23Å; M29-L192 HydrophobicContact CE-CB 4.29Å; M29-L192 HydrophobicContact SD-CB 4.4Å; V52-L192 HydrophobicContact CG1-CD1 3.59Å; V52-L192 HydrophobicContact CG2-CD1 4.26Å; L127-L192 HydrophobicContact CB-CD2 4.49Å; L127-L192 HydrophobicContact CD1-CB 4.26Å; L127-L192 HydrophobicContact CD1-CD2 3.68Å; L127-L192 HydrophobicContact CD1-CG 3.73Å; L127-L192 HydrophobicContact CG-CD2 3.57Å; L127-L192 HydrophobicContact CG-CG 4.21Å; C188-L192 WeakPolarHBondContact O-CB 3.49Å; C188-L192 PolarHBondContact O-N 2.83Å; V189-L192 PolarHBondContact O-N 2.92Å; L192-R194 VanDerWaalsContact C-N 3.34Å; L192-R194 PolarHBondContact O-N 3.26Å; L192-Y195 PolarHBondContact O-N 3.3Å; L192-L196 HydrophobicContact CD1-CD1 3.82Å; L192-L196 HydrophobicContact CD1-CD2 4.36Å; L192-L196 HydrophobicContact CD1-CG 3.81Å; L192-L196 HydrophobicContact CG-CD1 4.02Å; L192-L196 HydrophobicContact CG-CG 4.46Å; L192-L196 WeakPolarHBondContact O-CB 3.19Å; L192-L196 VanDerWaalsContact O-CG 3.28Å; L192-L196 WeakPolarHBondContact O-CG 3.32Å; L192-L196 PolarHBondContact O-N 2.85Å
193	R	96.8	Very high	96.3	Very high	120 Å²	120	56.5 Å²	56.5	45%	0.453	26%	0.261	S	S	.	.	H	α-helix	trans	-59.2	-43.5	174.3	-72.3	175.6	-175.5	157.9	-0.9	112.6	L127 G131 V189 W191 L196 E197	L127-R193 HydrophobicContact CD1-CG 3.95Å; G131-R193 VanDerWaalsContact O-CZ 3.29Å; G131-R193 PolarHBondContact O-NE 3.21Å; G131-R193 VanDerWaalsContact O-NE 3.09Å; G131-R193 PolarHBondContact O-NH2 3.3Å; V189-R193 VanDerWaalsContact CG1-CZ 3.46Å; V189-R193 WeakPolarHBondContact O-CG 3.43Å; V189-R193 PolarHBondContact O-N 3.48Å; W191-R193 VanDerWaalsContact C-N 3.34Å; W191-R193 PolarHBondContact O-N 3.28Å; R193-L196 PolarHBondContact O-N 3.11Å; R193-E197 PolarHBondContact O-N 2.86Å
194	R	97	Very high	95.9	Very high	122 Å²	122	57.9 Å²	57.9	46%	0.46	27%	0.27	S	S	.	.	H	α-helix	trans	-61.4	-44.5	176.6	179	179.8	175	117.3	-5.6	111.4	E79 E190 W191 L192 E197 N198	E79-R194 IonicContact OE1-CZ 3.8Å; E79-R194 IonicContact OE1-NE 2.67Å; E79-R194 PolarHBondContact OE1-NE 2.76Å; E79-R194 IonicContact OE1-NH2 2.8Å; E79-R194 PolarHBondContact OE1-NH2 2.81Å; E79-R194 IonicContact OE2-CZ 3.65Å; E79-R194 IonicContact OE2-NE 3.02Å; E79-R194 IonicContact OE2-NH2 3.52Å; E79-R194 PolarHBondContact OE2-NH2 2.88Å; E190-R194 PolarHBondContact O-N 2.84Å; E190-R194 VanDerWaalsContact O-N 3.1Å; W191-R194 WeakPolarHBondContact O-CB 3.37Å; W191-R194 PolarHBondContact O-N 3.29Å; W191-R194 VanDerWaalsContact O-N 3.15Å; L192-R194 VanDerWaalsContact C-N 3.34Å; L192-R194 PolarHBondContact O-N 3.26Å; R194-E197 PolarHBondContact O-N 3.02Å; R194-N198 WeakPolarHBondContact O-CB 3.41Å; R194-N198 PolarHBondContact O-N 2.91Å; R194-N198 PolarHBondContact O-OD1 3.44Å
195	Y	97.4	Very high	95.6	Very high	1 Å²	1	61.5 Å²	61.5	0%	0.004	28%	0.283	C	S	.	.	H	α-helix	trans	-67.2	-39.6	178.6	-62.4	-33.2	0	0	0	112.6	M29 V52 F57 W75 V76 Y83 W191 L192 E197 N198 G199 L203	M29-Y195 HydrophobicContact SD-CD2 3.7Å; M29-Y195 HydrophobicContact SD-CE2 3.57Å; M29-Y195 VanDerWaalsContact SD-CE2 3.57Å; V52-Y195 HydrophobicContact CG2-CD2 3.99Å; V52-Y195 HydrophobicContact CG2-CG 4.46Å; F57-Y195 HydrophobicContact CD2-CE2 4.46Å; F57-Y195 HydrophobicContact CE2-CD2 4.26Å; F57-Y195 AromaticContact CE2-CE2 3.63Å; F57-Y195 HydrophobicContact CE2-CE2 3.63Å; F57-Y195 AromaticContact CE2-CZ 3.81Å; F57-Y195 HydrophobicContact CZ-CD2 4.32Å; F57-Y195 AromaticContact CZ-CE2 3.79Å; F57-Y195 HydrophobicContact CZ-CE2 3.79Å; W75-Y195 HydrophobicContact CE3-CD1 4.23Å; W75-Y195 HydrophobicContact CE3-CG 4.48Å; W75-Y195 HydrophobicContact CH2-CG 4.18Å; W75-Y195 AromaticContact CZ3-CD1 3.59Å; W75-Y195 HydrophobicContact CZ3-CD1 3.59Å; W75-Y195 HydrophobicContact CZ3-CD2 4.33Å; W75-Y195 HydrophobicContact CZ3-CE1 4.32Å; W75-Y195 AromaticContact CZ3-CG 3.6Å; W75-Y195 HydrophobicContact CZ3-CG 3.6Å; V76-Y195 HydrophobicContact CG2-CE1 4.34Å; Y83-Y195 WeakPolarHBondContact CE2-OH 3.38Å; Y83-Y195 PolarHBondContact OH-OH 2.69Å; W191-Y195 HydrophobicContact CB-CE2 3.99Å; W191-Y195 HydrophobicContact CE3-CD1 4.46Å; W191-Y195 AromaticContact CE3-CE1 3.58Å; W191-Y195 HydrophobicContact CE3-CE1 3.58Å; W191-Y195 HydrophobicContact CE3-CE2 4.21Å; W191-Y195 AromaticContact CE3-CZ 3.42Å; W191-Y195 VanDerWaalsContact CE3-CZ 3.42Å; W191-Y195 AromaticContact CZ3-CE1 3.97Å; W191-Y195 HydrophobicContact CZ3-CE1 3.97Å; W191-Y195 VanDerWaalsContact O-CD2 3.26Å; W191-Y195 WeakPolarHBondContact O-CD2 3.48Å; W191-Y195 VanDerWaalsContact O-CG 3.26Å; W191-Y195 PolarHBondContact O-N 2.83Å; L192-Y195 PolarHBondContact O-N 3.3Å; Y195-E197 VanDerWaalsContact C-N 3.29Å; Y195-E197 PolarHBondContact O-N 3.11Å; Y195-N198 PolarHBondContact O-N 2.86Å; Y195-G199 WeakPolarHBondContact O-CA 3.34Å; Y195-G199 PolarHBondContact O-N 3.03Å; Y195-L203 WeakPolarHBondContact O-CD1 3.33Å
196	L	96	Very high	95.3	Very high	15 Å²	15	59.1 Å²	59.1	8%	0.079	28%	0.279	C	S	.	.	H	α-helix	trans	-61.9	-36.9	174.4	-71.6	169.8	0	0	0	112.2	H27 V52 L192 R193 K200 L203 Q204	H27-L196 HydrophobicContact CB-CD1 3.7Å; H27-L196 HydrophobicContact CB-CD2 4Å; H27-L196 HydrophobicContact CB-CG 4.43Å; H27-L196 WeakPolarHBondContact ND1-CD2 3.33Å; V52-L196 HydrophobicContact CG1-CD2 4.08Å; L192-L196 HydrophobicContact CD1-CD1 3.82Å; L192-L196 HydrophobicContact CD1-CD2 4.36Å; L192-L196 HydrophobicContact CD1-CG 3.81Å; L192-L196 HydrophobicContact CG-CD1 4.02Å; L192-L196 HydrophobicContact CG-CG 4.46Å; L192-L196 WeakPolarHBondContact O-CB 3.19Å; L192-L196 VanDerWaalsContact O-CG 3.28Å; L192-L196 WeakPolarHBondContact O-CG 3.32Å; L192-L196 PolarHBondContact O-N 2.85Å; R193-L196 PolarHBondContact O-N 3.11Å; L196-K200 WeakPolarHBondContact O-CA 3.49Å; L196-K200 WeakPolarHBondContact O-CB 3.37Å; L196-K200 PolarHBondContact O-N 3.42Å; L196-L203 HydrophobicContact CD2-CB 4.11Å; L196-L203 HydrophobicContact CD2-CD1 4.31Å; L196-Q204 PolarHBondContact O-NE2 2.97Å; L196-Q204 VanDerWaalsContact O-NE2 3.1Å
197	E	95.8	Very high	95.2	Very high	122 Å²	122	61 Å²	61	57%	0.57	28%	0.282	S	S	*	.	H	α-helix	trans	-72.1	-48	175.3	-172	57.7	-149.1	0	0	111.4	R193 R194 Y195 G199 K200	R193-E197 PolarHBondContact O-N 2.86Å; R194-E197 PolarHBondContact O-N 3.02Å; Y195-E197 VanDerWaalsContact C-N 3.29Å; Y195-E197 PolarHBondContact O-N 3.11Å; E197-G199 VanDerWaalsContact C-N 3.31Å; E197-G199 PolarHBondContact O-N 3.24Å; E197-K200 WeakPolarHBondContact O-CB 3.5Å; E197-K200 PolarHBondContact O-N 3.46Å
198	N	96.6	Very high	95.2	Very high	51 Å²	51	61.7 Å²	61.7	27%	0.273	29%	0.287	S	S	.	.	H	α-helix	trans	-59.3	-42.3	177.9	-70.2	-7.1	0	0	0	112.2	W75 Q78 E79 R194 Y195	W75-N198 HydrophobicContact CB-CB 4.43Å; Q78-N198 VanDerWaalsContact NE2-CB 3.29Å; Q78-N198 PolarHBondContact NE2-ND2 2.76Å; Q78-N198 PolarHBondContact NE2-OD1 3.41Å; Q78-N198 VanDerWaalsContact NE2-OD1 3.14Å; E79-N198 PolarHBondContact OE1-ND2 3.13Å; R194-N198 WeakPolarHBondContact O-CB 3.41Å; R194-N198 PolarHBondContact O-N 2.91Å; R194-N198 PolarHBondContact O-OD1 3.44Å; Y195-N198 PolarHBondContact O-N 2.86Å
199	G	95.4	Very high	95.1	Very high	2 Å²	2	62.2 Å²	62.2	2%	0.021	29%	0.29	C	S	.	.	T	Hydrogen-bonded Turn	trans	-97.9	13.4	-176	0	0	0	0	0	114	Y195 E197 K201 T202 L203	Y195-G199 WeakPolarHBondContact O-CA 3.34Å; Y195-G199 PolarHBondContact O-N 3.03Å; E197-G199 VanDerWaalsContact C-N 3.31Å; E197-G199 PolarHBondContact O-N 3.24Å; G199-K201 VanDerWaalsContact C-N 3.25Å; G199-K201 PolarHBondContact O-N 3.05Å; G199-T202 WeakPolarHBondContact O-CA 3.32Å; G199-T202 PolarHBondContact O-N 3.18Å; G199-L203 PolarHBondContact O-N 2.83Å
200	K	93.3	Very high	95.1	Very high	105 Å²	105	69.4 Å²	69.4	46%	0.457	32%	0.321	S	S	.	.	H	α-helix	trans	-46.5	-43.6	-170.3	-176	169.9	-171.1	167.7	0	114.7	L196 E197 T202 Q204	L196-K200 WeakPolarHBondContact O-CA 3.49Å; L196-K200 WeakPolarHBondContact O-CB 3.37Å; L196-K200 PolarHBondContact O-N 3.42Å; E197-K200 WeakPolarHBondContact O-CB 3.5Å; E197-K200 PolarHBondContact O-N 3.46Å; K200-T202 PolarHBondContact O-N 2.94Å; K200-Q204 WeakPolarHBondContact O-CB 3.4Å; K200-Q204 PolarHBondContact O-N 3.05Å
201	K	91.3	Very high	95.1	Very high	195 Å²	195	65.4 Å²	65.4	85%	0.848	31%	0.305	S	S	*	.	H	α-helix	trans	-65.6	-23.6	179.7	-66	-176.8	179.7	178.3	0	114.2	G199	G199-K201 VanDerWaalsContact C-N 3.25Å; G199-K201 PolarHBondContact O-N 3.05Å
202	T	90.6	Very high	95	Very high	47 Å²	47	67.1 Å²	67.1	29%	0.288	32%	0.315	S	S	.	.	H	α-helix	trans	-107.1	-40.5	-175.7	-48.8	0	0	0	0	111.9	G199 K200 R205	G199-T202 WeakPolarHBondContact O-CA 3.32Å; G199-T202 PolarHBondContact O-N 3.18Å; K200-T202 PolarHBondContact O-N 2.94Å; T202-R205 WeakPolarHBondContact O-CD 3.39Å; T202-R205 VanDerWaalsContact O-CG 3.29Å; T202-R205 WeakPolarHBondContact O-CG 3.12Å; T202-R205 PolarHBondContact O-NE 2.84Å
203	L	91.8	Very high	95	Very high	4 Å²	4	68.4 Å²	68.4	2%	0.021	32%	0.323	C	S	.	.	H	α-helix	trans	-86.8	-32.4	-174	-62.9	172.5	0	0	0	112.8	V52 T55 W75 Y195 L196 G199 R205	V52-L203 HydrophobicContact CB-CD1 4.25Å; V52-L203 HydrophobicContact CB-CD2 4.14Å; V52-L203 HydrophobicContact CG1-CD1 3.85Å; V52-L203 HydrophobicContact CG1-CD2 4.07Å; V52-L203 HydrophobicContact CG1-CG 4.48Å; T55-L203 HydrophobicContact CG2-CD2 4.15Å; W75-L203 HydrophobicContact CD2-CD1 4.43Å; W75-L203 HydrophobicContact CH2-CD1 4.36Å; W75-L203 HydrophobicContact CZ2-CD1 3.85Å; W75-L203 HydrophobicContact CZ2-CD2 4.1Å; W75-L203 HydrophobicContact CZ2-CG 4.38Å; Y195-L203 WeakPolarHBondContact O-CD1 3.33Å; L196-L203 HydrophobicContact CD2-CB 4.11Å; L196-L203 HydrophobicContact CD2-CD1 4.31Å; G199-L203 PolarHBondContact O-N 2.83Å; L203-R205 VanDerWaalsContact C-N 3.33Å
204	Q	89.8	Confident	94.9	Very high	88 Å²	88	64.2 Å²	64.2	41%	0.411	31%	0.311	S	S	.	.	S	Bend	trans	-100.6	30.4	178.6	-57.6	176.6	29.3	0	0	111.6	L196 K200	L196-Q204 PolarHBondContact O-NE2 2.97Å; L196-Q204 VanDerWaalsContact O-NE2 3.1Å; K200-Q204 WeakPolarHBondContact O-CB 3.4Å; K200-Q204 PolarHBondContact O-N 3.05Å
205	R	91.2	Very high	94.9	Very high	77 Å²	77	61 Å²	61	29%	0.291	30%	0.301	S	S	.	.			trans	-103.6	146.3	171.6	79.9	-170.5	168.8	180	5.1	108.5	T202 L203 E207 Y233	T202-R205 WeakPolarHBondContact O-CD 3.39Å; T202-R205 VanDerWaalsContact O-CG 3.29Å; T202-R205 WeakPolarHBondContact O-CG 3.12Å; T202-R205 PolarHBondContact O-NE 2.84Å; L203-R205 VanDerWaalsContact C-N 3.33Å; R205-E207 WeakPolarHBondContact CD-OE1 3.22Å; R205-E207 HydrophobicContact CG-CG 4.43Å; R205-E207 IonicContact CZ-OE1 2.64Å; R205-E207 IonicContact NE-OE1 3.93Å; R205-E207 PolarHBondContact NE-OE1 2.81Å; R205-E207 IonicContact NH1-OE1 3.02Å; R205-E207 PolarHBondContact NH1-OE1 2.93Å; R205-E207 IonicContact NH2-OE1 3.24Å; R205-Y233 HydrophobicContact CG-CD1 4.1Å; R205-Y233 HydrophobicContact CG-CE1 4.5Å; R205-Y233 VanDerWaalsContact O-CD1 3.3Å; R205-Y233 WeakPolarHBondContact O-CD1 3.05Å
206	A	93.3	Very high	94.8	Very high	39 Å²	39	64.5 Å²	64.5	32%	0.322	32%	0.317	S	S	.	.			trans	-118.2	121.2	163.7	0	0	0	0	0	107.9	Y233 E288	A206-Y233 CarbonylContact C-O 3.56Å; A206-Y233 VanDerWaalsContact CA-O 3.32Å; A206-Y233 WeakPolarHBondContact CA-O 3.13Å; A206-E288 HydrophobicContact CB-CG 4.15Å
207	E	95.2	Very high	94.7	Very high	63 Å²	63	68.5 Å²	68.5	29%	0.294	34%	0.344	S	S	.	.	B	Isolated β-bridge	trans	-100	114.5	175.3	-67.6	-173	-146.2	0	0	108.2	R205 F232 Y233 H287	R205-E207 WeakPolarHBondContact CD-OE1 3.22Å; R205-E207 HydrophobicContact CG-CG 4.43Å; R205-E207 IonicContact CZ-OE1 2.64Å; R205-E207 IonicContact NE-OE1 3.93Å; R205-E207 PolarHBondContact NE-OE1 2.81Å; R205-E207 IonicContact NH1-OE1 3.02Å; R205-E207 PolarHBondContact NH1-OE1 2.93Å; R205-E207 IonicContact NH2-OE1 3.24Å; E207-F232 WeakPolarHBondContact O-CA 3.37Å; E207-F232 WeakPolarHBondContact O-CB 3.43Å; E207-Y233 PolarHBondContact N-O 3Å; E207-Y233 PolarHBondContact O-N 2.82Å; E207-Y233 VanDerWaalsContact O-N 3.09Å; E207-H287 PolarHBondContact O-CE1 2.99Å; E207-H287 VanDerWaalsContact O-CE1 3.22Å
208	P	96.8	Very high	94.4	Very high	67 Å²	67	67.7 Å²	67.7	44%	0.435	34%	0.343	S	S	.	.	P	Polyproline II helix	trans	-67.8	148.1	-179.5	25.1	-32.4	0	0	0	111.5	L290	P208-L290 HydrophobicContact CB-CD2 3.88Å
209	P	97.7	Very high	94.2	Very high	11 Å²	11	68 Å²	68	7%	0.071	35%	0.349	C	S	.	.	P	Polyproline II helix	trans	-65.9	137.4	178.4	26.5	-33.9	0	0	0	111.9	T211 A229 F232 I237 M285 H287 L290	P209-T211 HydrophobicContact CB-CG2 3.98Å; P209-T211 HydrophobicContact CG-CG2 4.1Å; P209-A229 HydrophobicContact CB-CB 3.88Å; P209-F232 HydrophobicContact CB-CB 3.88Å; P209-F232 HydrophobicContact CB-CD1 3.92Å; P209-F232 HydrophobicContact CB-CG 4.19Å; P209-I237 HydrophobicContact CB-CD1 4.23Å; P209-I237 HydrophobicContact CG-CD1 4.14Å; P209-M285 HydrophobicContact CB-SD 3.9Å; P209-M285 HydrophobicContact CG-CG 4.48Å; P209-M285 HydrophobicContact CG-SD 3.4Å; P209-M285 WeakPolarHBondContact CG-SD 3.28Å; P209-H287 HydrophobicContact CG-CB 4.3Å; P209-L290 HydrophobicContact CG-CD1 4.14Å; P209-L290 HydrophobicContact CG-CD2 4.42Å; P209-L290 HydrophobicContact CG-CG 4.4Å
210	K	97.7	Very high	93.9	Very high	158 Å²	158	75 Å²	75	69%	0.687	39%	0.386	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-78.6	119.6	160.9	-65.1	172	-173.8	165.5	0	108	L230	K210-L230 HydrophobicContact CB-CB 4.47Å; K210-L230 PolarHBondContact N-O 3.3Å; K210-L230 PolarHBondContact O-N 2.88Å
211	T	97.1	Very high	93.9	Very high	42 Å²	42	76.8 Å²	76.8	26%	0.258	40%	0.396	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-117.9	148.6	-170.3	64	0	0	0	0	112.6	P209 W228 M285 L294 L296	P209-T211 HydrophobicContact CB-CG2 3.98Å; P209-T211 HydrophobicContact CG-CG2 4.1Å; T211-W228 VanDerWaalsContact CA-O 3.25Å; T211-W228 WeakPolarHBondContact CA-O 3.42Å; T211-M285 HydrophobicContact CG2-CE 3.5Å; T211-M285 HydrophobicContact CG2-SD 3.36Å; T211-M285 WeakPolarHBondContact CG2-SD 3.47Å; T211-L294 HydrophobicContact CG2-CD1 4.36Å; T211-L296 VanDerWaalsContact CB-CD1 3.48Å; T211-L296 HydrophobicContact CG2-CD1 4.1Å
212	H	95.9	Very high	94.1	Very high	81 Å²	81	72 Å²	72	38%	0.375	38%	0.376	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-162.9	158.6	169.3	61	-72.7	0	0	0	110	W228	H212-W228 AromaticContact CD2-CD1 3.95Å; H212-W228 VanDerWaalsContact CE1-CB 3.42Å; H212-W228 WeakPolarHBondContact CE1-CB 3.44Å; H212-W228 AromaticContact CE1-CD1 3.86Å; H212-W228 AromaticContact CE1-CG 3.64Å; H212-W228 PolarHBondContact N-O 2.8Å; H212-W228 AromaticContact NE2-CD1 3.45Å; H212-W228 AromaticContact NE2-CG 3.7Å; H212-W228 PolarHBondContact O-N 3.28Å
213	V	97.7	Very high	94.3	Very high	26 Å²	26	69.9 Å²	69.9	16%	0.158	36%	0.363	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-111.4	125.2	174.3	-177.8	0	0	0	0	109	L225 R226 C227 W241 L296 W298	V213-L225 HydrophobicContact CG1-CB 4.39Å; V213-L225 HydrophobicContact CG1-CD2 4.45Å; V213-R226 CarbonylContact C-O 3.52Å; V213-R226 WeakPolarHBondContact CA-O 3.34Å; V213-C227 HydrophobicContact CG2-CB 4.47Å; V213-W241 HydrophobicContact CG1-CH2 3.91Å; V213-W241 HydrophobicContact CG1-CZ2 4.36Å; V213-W241 HydrophobicContact CG2-CH2 4.47Å; V213-L296 HydrophobicContact CG2-CB 3.94Å; V213-W298 HydrophobicContact CB-CB 4.47Å; V213-W298 HydrophobicContact CG1-CB 3.84Å
214	T	96.4	Very high	94.6	Very high	33 Å²	33	70.6 Å²	70.6	20%	0.202	37%	0.368	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-101	145	174.8	50.2	0	0	0	0	110.3	H216 L225 R226 W228	T214-H216 PolarHBondContact OG1-NE2 3.02Å; T214-L225 WeakPolarHBondContact O-CA 3.39Å; T214-R226 PolarHBondContact N-O 2.88Å; T214-R226 PolarHBondContact O-N 3.44Å; T214-R226 WeakPolarHBondContact OG1-CB 3.31Å; T214-R226 PolarHBondContact OG1-O 3.4Å; T214-R226 VanDerWaalsContact OG1-O 3.11Å; T214-W228 PolarHBondContact OG1-NE1 2.94Å
215	H	95.9	Very high	94.9	Very high	54 Å²	54	66.4 Å²	66.4	25%	0.25	35%	0.348	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-119.3	125.5	178.6	169.5	-92.9	0	0	0	109.4	A223 T224 L225 W298	H215-A223 WeakPolarHBondContact NE2-CB 3.37Å; H215-T224 WeakPolarHBondContact CA-O 3.36Å; H215-L225 HydrophobicContact CB-CD2 3.98Å; H215-W298 HydrophobicContact CB-CD2 4.19Å; H215-W298 HydrophobicContact CB-CG 4.22Å; H215-W298 HydrophobicContact CB-CZ2 4.06Å; H215-W298 VanDerWaalsContact CB-NE1 3.28Å; H215-W298 AromaticContact CG-CE2 3.83Å; H215-W298 AromaticContact CG-CZ2 3.86Å
216	H	94.7	Very high	95.3	Very high	75 Å²	75	65.3 Å²	65.3	35%	0.347	34%	0.344	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-126.2	104	-178.9	-59	-65.6	0	0	0	109.4	T214 L218 A223 T224 R226	T214-H216 PolarHBondContact OG1-NE2 3.02Å; H216-L218 PolarHBondContact O-N 2.76Å; H216-A223 CarbonylContact O-C 3.56Å; H216-A223 WeakPolarHBondContact O-CA 3.46Å; H216-T224 PolarHBondContact N-O 3.28Å; H216-T224 PolarHBondContact O-N 3.06Å; H216-R226 PolarHBondContact CD2-NH1 3.17Å; H216-R226 PolarHBondContact NE2-NH1 2.84Å
217	P	93.8	Very high	95.5	Very high	99 Å²	99	63.5 Å²	63.5	64%	0.643	33%	0.329	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-58.3	130.9	174.5	-19.8	29.9	0	0	0	110.8
218	L	90.9	Very high	95.6	Very high	105 Å²	105	62.7 Å²	62.7	55%	0.55	32%	0.323	S	S	.	.			trans	-101.3	-41.3	173.6	-65.8	177.9	0	0	0	110.9	H216 E222 T224 V272	H216-L218 PolarHBondContact O-N 2.76Å; L218-E222 PolarHBondContact N-O 3.39Å; L218-T224 WeakPolarHBondContact CD1-OG1 3.37Å; L218-V272 HydrophobicContact CD1-CG1 4.22Å; L218-V272 HydrophobicContact CD1-CG2 4.24Å
219	S	91.7	Very high	95.7	Very high	57 Å²	57	59.5 Å²	59.5	40%	0.399	30%	0.302	S	S	.	.	S	Bend	trans	-151	-178	176.8	71.7	0	0	0	0	110.3	H221 E222	S219-H221 PolarHBondContact O-N 3.01Å; S219-H221 PolarHBondContact OG-N 2.64Å; S219-H221 VanDerWaalsContact OG-N 3.15Å; S219-E222 PolarHBondContact N-O 2.9Å; S219-E222 VanDerWaalsContact O-O 3.11Å; S219-E222 PolarHBondContact OG-N 2.89Å
220	D	88.8	Confident	95.7	Very high	149 Å²	149	61.5 Å²	61.5	80%	0.797	31%	0.312	S	S	*	.	S	Bend	trans	-63.1	-19.2	172.2	-65.8	-22.8	0	0	0	112.6	S275	D220-S275 WeakPolarHBondContact O-CB 3.06Å; D220-S275 PolarHBondContact O-OG 3.02Å
221	H	92.7	Very high	95.7	Very high	143 Å²	143	54.9 Å²	54.9	66%	0.662	29%	0.289	S	S	*	.	S	Bend	trans	-106.3	-17.2	-173.9	-55.9	-48.1	0	0	0	114	S219 P274 S275	S219-H221 PolarHBondContact O-N 3.01Å; S219-H221 PolarHBondContact OG-N 2.64Å; S219-H221 VanDerWaalsContact OG-N 3.15Å; H221-P274 CarbonylContact O-C 3.58Å; H221-P274 WeakPolarHBondContact O-CA 3.27Å; H221-S275 PolarHBondContact O-N 3.24Å; H221-S275 PolarHBondContact O-OG 3.02Å
222	E	95.4	Very high	95.7	Very high	95 Å²	95	52.9 Å²	52.9	44%	0.444	28%	0.277	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-145.4	147.3	-171.2	-65.9	-179.9	166	0	0	112.5	L218 S219 V272 V273 S275	L218-E222 PolarHBondContact N-O 3.39Å; S219-E222 PolarHBondContact N-O 2.9Å; S219-E222 VanDerWaalsContact O-O 3.11Å; S219-E222 PolarHBondContact OG-N 2.89Å; E222-V272 HydrophobicContact CB-CG1 4.14Å; E222-V272 HydrophobicContact CG-CG1 4.37Å; E222-V273 WeakPolarHBondContact CA-O 3.17Å; E222-S275 PolarHBondContact N-OG 3.05Å
223	A	95.8	Very high	95.7	Very high	1 Å²	1	49.2 Å²	49.2	1%	0.008	26%	0.26	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-137	157.3	172	0	0	0	0	0	110.8	H215 H216 V272 V273	H215-A223 WeakPolarHBondContact NE2-CB 3.37Å; H216-A223 CarbonylContact O-C 3.56Å; H216-A223 WeakPolarHBondContact O-CA 3.46Å; A223-V272 WeakPolarHBondContact O-CA 3.47Å; A223-V273 HydrophobicContact CB-CG2 4.48Å; A223-V273 PolarHBondContact N-O 2.83Å; A223-V273 PolarHBondContact O-N 3.07Å
224	T	97.3	Very high	95.6	Very high	19 Å²	19	48.8 Å²	48.8	12%	0.117	26%	0.258	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-96.1	125	168.9	-54.8	0	0	0	0	109.6	H215 H216 L218 A270 V271	H215-T224 WeakPolarHBondContact CA-O 3.36Å; H216-T224 PolarHBondContact N-O 3.28Å; H216-T224 PolarHBondContact O-N 3.06Å; L218-T224 WeakPolarHBondContact CD1-OG1 3.37Å; T224-A270 HydrophobicContact CG2-CB 3.89Å; T224-V271 WeakPolarHBondContact CA-O 3.37Å
225	L	97.8	Very high	95.6	Very high	0 Å²	0	47.9 Å²	47.9	0%	0	25%	0.254	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-95.1	128.1	163.3	-62.9	-176.8	0	0	0	108.9	V213 T214 H215 W241 A270 V271 V273 E278 W298	V213-L225 HydrophobicContact CG1-CB 4.39Å; V213-L225 HydrophobicContact CG1-CD2 4.45Å; T214-L225 WeakPolarHBondContact O-CA 3.39Å; H215-L225 HydrophobicContact CB-CD2 3.98Å; L225-W241 HydrophobicContact CB-CH2 3.67Å; L225-W241 HydrophobicContact CB-CZ2 3.81Å; L225-W241 HydrophobicContact CB-CZ3 4.46Å; L225-W241 HydrophobicContact CD1-CH2 4.06Å; L225-W241 HydrophobicContact CD1-CZ3 4.22Å; L225-A270 CarbonylContact O-C 3.5Å; L225-A270 WeakPolarHBondContact O-CA 3.41Å; L225-V271 HydrophobicContact CB-CG2 4.17Å; L225-V271 PolarHBondContact N-O 3.46Å; L225-V271 PolarHBondContact O-N 2.87Å; L225-V273 HydrophobicContact CD1-CG1 4Å; L225-V273 HydrophobicContact CD1-CG2 4.07Å; L225-V273 HydrophobicContact CG-CG1 4.14Å; L225-V273 HydrophobicContact CG-CG2 3.84Å; L225-E278 HydrophobicContact CD1-CB 4.1Å; L225-E278 HydrophobicContact CD2-CG 4.37Å; L225-W298 HydrophobicContact CD1-CB 4.32Å; L225-W298 HydrophobicContact CD2-CB 3.8Å; L225-W298 HydrophobicContact CD2-CD2 4.36Å; L225-W298 HydrophobicContact CD2-CG 3.92Å
226	R	98.1	Very high	95.6	Very high	55 Å²	55	52.1 Å²	52.1	21%	0.208	27%	0.273	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-124.4	117.6	176.3	179.7	-176.2	-63.6	122.4	-1.7	110.5	V213 T214 H216 W228 W268 A269 A270	V213-R226 CarbonylContact C-O 3.52Å; V213-R226 WeakPolarHBondContact CA-O 3.34Å; T214-R226 PolarHBondContact N-O 2.88Å; T214-R226 PolarHBondContact O-N 3.44Å; T214-R226 WeakPolarHBondContact OG1-CB 3.31Å; T214-R226 PolarHBondContact OG1-O 3.4Å; T214-R226 VanDerWaalsContact OG1-O 3.11Å; H216-R226 PolarHBondContact CD2-NH1 3.17Å; H216-R226 PolarHBondContact NE2-NH1 2.84Å; R226-W228 HydrophobicContact CG-CZ2 4.4Å; R226-W268 HydrophobicContact CG-CB 4.01Å; R226-W268 HydrophobicContact CG-CD2 4.1Å; R226-W268 HydrophobicContact CG-CE3 3.86Å; R226-W268 HydrophobicContact CG-CG 4.22Å; R226-A269 WeakPolarHBondContact CA-O 3.48Å; R226-A270 HydrophobicContact CB-CB 3.97Å; R226-A270 HydrophobicContact CG-CB 4.14Å
227	C	98.1	Very high	95.6	Very high	0 Å²	0	49 Å²	49	0%	0	26%	0.259	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-90.8	123	176.8	-176.5	0	0	0	0	109.5	V213 W241 W268 A269 C283	V213-C227 HydrophobicContact CG2-CB 4.47Å; C227-W241 HydrophobicContact CB-CH2 4.45Å; C227-W241 HydrophobicContact CB-CZ2 3.61Å; C227-W268 CarbonylContact O-C 3.6Å; C227-W268 WeakPolarHBondContact O-CA 3.45Å; C227-W268 WeakPolarHBondContact O-CB 3.38Å; C227-A269 PolarHBondContact N-O 3.23Å; C227-A269 PolarHBondContact O-N 3.4Å; C227-C283 HydrophobicContact CB-CB 3.53Å; C227-C283 WeakPolarHBondContact CB-SG 3.45Å; C227-C283 WeakPolarHBondContact SG-CB 3.43Å; C227-C283 CovalentContact SG-SG 2.04Å; C227-C283 PolarHBondContact SG-SG 3.2Å
228	W	98.3	Very high	95.8	Very high	46 Å²	46	47.2 Å²	47.2	17%	0.174	25%	0.247	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-106.4	139.9	-178	-70.7	90.3	0	0	0	111.3	T211 H212 T214 R226 L230 W268	T211-W228 VanDerWaalsContact CA-O 3.25Å; T211-W228 WeakPolarHBondContact CA-O 3.42Å; H212-W228 AromaticContact CD2-CD1 3.95Å; H212-W228 VanDerWaalsContact CE1-CB 3.42Å; H212-W228 WeakPolarHBondContact CE1-CB 3.44Å; H212-W228 AromaticContact CE1-CD1 3.86Å; H212-W228 AromaticContact CE1-CG 3.64Å; H212-W228 PolarHBondContact N-O 2.8Å; H212-W228 AromaticContact NE2-CD1 3.45Å; H212-W228 AromaticContact NE2-CG 3.7Å; H212-W228 PolarHBondContact O-N 3.28Å; T214-W228 PolarHBondContact OG1-NE1 2.94Å; R226-W228 HydrophobicContact CG-CZ2 4.4Å; W228-L230 HydrophobicContact CE3-CD2 3.85Å; W228-L230 HydrophobicContact CZ3-CD2 4.38Å; W228-W268 HydrophobicContact CD2-CB 3.94Å; W228-W268 HydrophobicContact CD2-CG 4.43Å; W228-W268 HydrophobicContact CE3-CB 3.86Å; W228-W268 AromaticContact CE3-CD1 3.83Å; W228-W268 HydrophobicContact CE3-CG 4.14Å; W228-W268 HydrophobicContact CG-CB 4.38Å; W228-W268 AromaticContact CH2-CD1 3.6Å; W228-W268 HydrophobicContact CH2-CG 4.22Å; W228-W268 AromaticContact CH2-NE1 4Å; W228-W268 HydrophobicContact CZ2-CG 4.5Å; W228-W268 HydrophobicContact CZ3-CB 4.27Å; W228-W268 AromaticContact CZ3-CD1 3.36Å; W228-W268 HydrophobicContact CZ3-CG 4.05Å
229	A	98.3	Very high	96	Very high	0 Å²	0	42.6 Å²	42.6	0%	0	22%	0.222	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-121.2	121.4	163.3	0	0	0	0	0	108	P209 F232 I237 L239 Q266 K267 M285	P209-A229 HydrophobicContact CB-CB 3.88Å; A229-F232 HydrophobicContact CB-CD1 3.94Å; A229-F232 HydrophobicContact CB-CE1 3.67Å; A229-F232 WeakPolarHBondContact O-CE1 3.34Å; A229-I237 HydrophobicContact CB-CD1 3.69Å; A229-L239 HydrophobicContact CB-CD1 4.16Å; A229-L239 HydrophobicContact CB-CD2 4.22Å; A229-Q266 CarbonylContact O-C 3.59Å; A229-Q266 VanDerWaalsContact O-CA 3.24Å; A229-Q266 WeakPolarHBondContact O-CA 3.29Å; A229-K267 PolarHBondContact N-O 2.88Å; A229-K267 PolarHBondContact O-N 3.27Å; A229-K267 VanDerWaalsContact O-O 3.1Å; A229-M285 HydrophobicContact CB-CE 3.68Å; A229-M285 HydrophobicContact CB-SD 3.93Å
230	L	98.2	Very high	96.3	Very high	53 Å²	53	41.9 Å²	41.9	28%	0.277	22%	0.216	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-130.6	145.2	-176.2	-58.9	177.3	0	0	0	111.1	K210 W228 F232 Q266	K210-L230 HydrophobicContact CB-CB 4.47Å; K210-L230 PolarHBondContact N-O 3.3Å; K210-L230 PolarHBondContact O-N 2.88Å; W228-L230 HydrophobicContact CE3-CD2 3.85Å; W228-L230 HydrophobicContact CZ3-CD2 4.38Å; L230-F232 PolarHBondContact O-N 3.22Å; L230-Q266 HydrophobicContact CD2-CB 3.57Å
231	G	97.5	Very high	96.7	Very high	20 Å²	20	34.9 Å²	34.9	21%	0.206	18%	0.178	C	C	.	.	E	Extended strand (participates in β ladder)	trans	69.5	32	168.2	0	0	0	0	0	113.9	T264 F265	G231-T264 WeakPolarHBondContact CA-OG1 3.46Å; G231-F265 PolarHBondContact N-O 3.27Å
232	F	97.3	Very high	97	Very high	0 Å²	0	30 Å²	30	0%	0	16%	0.155	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-102.3	156.3	179.7	59.9	-89.8	0	0	0	112.4	E207 P209 A229 L230 P234 I237 T257 T264 F265 K267 H287	E207-F232 WeakPolarHBondContact O-CA 3.37Å; E207-F232 WeakPolarHBondContact O-CB 3.43Å; P209-F232 HydrophobicContact CB-CB 3.88Å; P209-F232 HydrophobicContact CB-CD1 3.92Å; P209-F232 HydrophobicContact CB-CG 4.19Å; A229-F232 HydrophobicContact CB-CD1 3.94Å; A229-F232 HydrophobicContact CB-CE1 3.67Å; A229-F232 WeakPolarHBondContact O-CE1 3.34Å; L230-F232 PolarHBondContact O-N 3.22Å; F232-P234 WeakPolarHBondContact CD2-O 3.47Å; F232-I237 HydrophobicContact CD1-CD1 3.99Å; F232-I237 HydrophobicContact CD2-CB 4.32Å; F232-I237 HydrophobicContact CD2-CD1 4.04Å; F232-I237 HydrophobicContact CE1-CD1 3.89Å; F232-I237 HydrophobicContact CE1-CG2 4.45Å; F232-I237 HydrophobicContact CE2-CB 3.77Å; F232-I237 HydrophobicContact CE2-CD1 3.96Å; F232-I237 HydrophobicContact CE2-CG1 4.45Å; F232-I237 HydrophobicContact CE2-CG2 3.57Å; F232-I237 HydrophobicContact CG-CD1 4.07Å; F232-I237 HydrophobicContact CZ-CB 4.15Å; F232-I237 HydrophobicContact CZ-CD1 3.91Å; F232-I237 HydrophobicContact CZ-CG2 3.53Å; F232-T257 HydrophobicContact CE2-CG2 4.11Å; F232-T257 HydrophobicContact CZ-CG2 3.9Å; F232-T264 CarbonylContact O-C 3.56Å; F232-T264 WeakPolarHBondContact O-CA 3.4Å; F232-F265 VanDerWaalsContact CD1-O 3.31Å; F232-F265 WeakPolarHBondContact CD1-O 3.06Å; F232-F265 HydrophobicContact CD2-CB 3.97Å; F232-F265 HydrophobicContact CE1-CB 4.26Å; F232-F265 WeakPolarHBondContact CE1-O 3.47Å; F232-F265 HydrophobicContact CE2-CB 3.51Å; F232-F265 HydrophobicContact CZ-CB 3.66Å; F232-F265 PolarHBondContact N-O 3.33Å; F232-F265 PolarHBondContact O-N 2.97Å; F232-K267 HydrophobicContact CE1-CB 4.36Å; F232-K267 HydrophobicContact CZ-CB 4.12Å; F232-H287 AromaticContact CD2-CD2 3.79Å; F232-H287 AromaticContact CD2-NE2 3.65Å
233	Y	95.9	Very high	97	Very high	3 Å²	3	29.3 Å²	29.3	1%	0.012	15%	0.149	C	C	.	.	B	Isolated β-bridge	trans	-151.4	137.1	173.4	179	-84	0	0	0	108.9	D54 T55 R205 A206 E207 G263 F265 H287	D54-Y233 HydrophobicContact CB-CE2 4.09Å; T55-Y233 PolarHBondContact OG1-OH 2.78Å; R205-Y233 HydrophobicContact CG-CD1 4.1Å; R205-Y233 HydrophobicContact CG-CE1 4.5Å; R205-Y233 VanDerWaalsContact O-CD1 3.3Å; R205-Y233 WeakPolarHBondContact O-CD1 3.05Å; A206-Y233 CarbonylContact C-O 3.56Å; A206-Y233 VanDerWaalsContact CA-O 3.32Å; A206-Y233 WeakPolarHBondContact CA-O 3.13Å; E207-Y233 PolarHBondContact N-O 3Å; E207-Y233 PolarHBondContact O-N 2.82Å; E207-Y233 VanDerWaalsContact O-N 3.09Å; Y233-G263 WeakPolarHBondContact CD2-O 3.42Å; Y233-F265 HydrophobicContact CD2-CD2 4.46Å; Y233-F265 HydrophobicContact CD2-CE2 4.02Å; Y233-F265 HydrophobicContact CE2-CE2 4.46Å; Y233-H287 PolarHBondContact O-CE1 3.49Å
234	P	95.1	Very high	97	Very high	18 Å²	18	34 Å²	34	12%	0.117	17%	0.174	C	C	.	.	S	Bend	cis	-71	179	1	30.2	-36.3	0	0	0	113.2	D54 F232 E236 H287	D54-P234 VanDerWaalsContact OD2-CB 3.24Å; D54-P234 WeakPolarHBondContact OD2-CB 3.48Å; F232-P234 WeakPolarHBondContact CD2-O 3.47Å; P234-E236 VanDerWaalsContact C-N 3.32Å; P234-E236 PolarHBondContact O-N 2.67Å; P234-H287 PolarHBondContact O-NE2 2.92Å
235	A	96.3	Very high	96.7	Very high	14 Å²	14	35.4 Å²	35.4	12%	0.116	19%	0.192	C	C	.	.	S	Bend	trans	-70.6	-24.9	-175.6	0	0	0	0	0	113.8	D54 I237 T257 F265	D54-A235 HydrophobicContact CB-CB 4.28Å; D54-A235 WeakPolarHBondContact OD2-CB 3.44Å; D54-A235 PolarHBondContact OD2-N 3.15Å; A235-I237 PolarHBondContact O-N 2.88Å; A235-T257 HydrophobicContact CB-CG2 4.3Å; A235-F265 HydrophobicContact CB-CD1 3.73Å; A235-F265 HydrophobicContact CB-CD2 3.69Å; A235-F265 HydrophobicContact CB-CE1 3.71Å; A235-F265 HydrophobicContact CB-CE2 3.68Å; A235-F265 HydrophobicContact CB-CG 3.73Å; A235-F265 HydrophobicContact CB-CZ 3.71Å
236	E	95.4	Very high	96.6	Very high	142 Å²	142	41.6 Å²	41.6	66%	0.664	22%	0.221	S	C	*	.			trans	-64.8	117.3	179.7	-172	56.9	-141.6	0	0	110.2	P234 H287	P234-E236 VanDerWaalsContact C-N 3.32Å; P234-E236 PolarHBondContact O-N 2.67Å; E236-H287 PolarHBondContact O-CD2 3.1Å
237	I	95.8	Very high	96.4	Very high	11 Å²	11	43.5 Å²	43.5	6%	0.056	24%	0.236	C	C	.	.			trans	-152.9	139.3	-178.3	-165.1	170.4	0	0	0	109.7	P209 A229 F232 A235 L239 K267 M285 Q286 H287	P209-I237 HydrophobicContact CB-CD1 4.23Å; P209-I237 HydrophobicContact CG-CD1 4.14Å; A229-I237 HydrophobicContact CB-CD1 3.69Å; F232-I237 HydrophobicContact CD1-CD1 3.99Å; F232-I237 HydrophobicContact CD2-CB 4.32Å; F232-I237 HydrophobicContact CD2-CD1 4.04Å; F232-I237 HydrophobicContact CE1-CD1 3.89Å; F232-I237 HydrophobicContact CE1-CG2 4.45Å; F232-I237 HydrophobicContact CE2-CB 3.77Å; F232-I237 HydrophobicContact CE2-CD1 3.96Å; F232-I237 HydrophobicContact CE2-CG1 4.45Å; F232-I237 HydrophobicContact CE2-CG2 3.57Å; F232-I237 HydrophobicContact CG-CD1 4.07Å; F232-I237 HydrophobicContact CZ-CB 4.15Å; F232-I237 HydrophobicContact CZ-CD1 3.91Å; F232-I237 HydrophobicContact CZ-CG2 3.53Å; A235-I237 PolarHBondContact O-N 2.88Å; I237-L239 HydrophobicContact CB-CD1 4.4Å; I237-L239 HydrophobicContact CD1-CD1 3.61Å; I237-L239 HydrophobicContact CG1-CD1 3.56Å; I237-L239 HydrophobicContact CG2-CD1 4.06Å; I237-K267 HydrophobicContact CG2-CB 4.27Å; I237-K267 HydrophobicContact CG2-CD 3.59Å; I237-M285 HydrophobicContact CD1-CG 4.19Å; I237-M285 HydrophobicContact CD1-SD 4.06Å; I237-M285 HydrophobicContact CG1-CG 4.41Å; I237-Q286 WeakPolarHBondContact CG1-O 3.36Å; I237-H287 HydrophobicContact CD1-CB 4.18Å; I237-H287 HydrophobicContact CG1-CB 3.99Å
238	T	96.4	Very high	96.3	Very high	61 Å²	61	44.2 Å²	44.2	37%	0.374	24%	0.239	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-109.5	123.6	174.6	-62.7	0	0	0	0	110	T240 M285 Q286	T238-T240 HydrophobicContact CG2-CG2 4.15Å; T238-M285 VanDerWaalsContact O-CA 3.31Å; T238-M285 WeakPolarHBondContact O-CA 3.35Å; T238-Q286 PolarHBondContact N-O 3.2Å; T238-Q286 PolarHBondContact O-N 2.84Å
239	L	96.9	Very high	95.8	Very high	7 Å²	7	47.1 Å²	47.1	4%	0.037	26%	0.262	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-121.4	124.9	173.9	-88.5	66.2	0	0	0	108.8	A229 I237 L254 K267 A269 M285	A229-L239 HydrophobicContact CB-CD1 4.16Å; A229-L239 HydrophobicContact CB-CD2 4.22Å; I237-L239 HydrophobicContact CB-CD1 4.4Å; I237-L239 HydrophobicContact CD1-CD1 3.61Å; I237-L239 HydrophobicContact CG1-CD1 3.56Å; I237-L239 HydrophobicContact CG2-CD1 4.06Å; L239-L254 HydrophobicContact CB-CD1 4.09Å; L239-K267 HydrophobicContact CD1-CD 4.25Å; L239-K267 HydrophobicContact CD2-CB 4.42Å; L239-K267 HydrophobicContact CD2-CG 4.45Å; L239-A269 HydrophobicContact CB-CB 4.14Å; L239-A269 HydrophobicContact CD2-CB 4.33Å; L239-M285 HydrophobicContact CD1-CE 4.04Å; L239-M285 HydrophobicContact CD1-CG 3.99Å; L239-M285 HydrophobicContact CD1-SD 4.38Å; L239-M285 HydrophobicContact CD2-CE 4.22Å; L239-M285 HydrophobicContact CG-CE 3.96Å
240	T	97	Very high	95.4	Very high	43 Å²	43	56.1 Å²	56.1	26%	0.264	30%	0.304	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-137	144.8	179.2	50.6	0	0	0	0	110.5	T238 C283 H284	T238-T240 HydrophobicContact CG2-CG2 4.15Å; T240-C283 CarbonylContact O-C 3.54Å; T240-C283 WeakPolarHBondContact O-CA 3.38Å; T240-H284 PolarHBondContact N-O 3.18Å; T240-H284 PolarHBondContact O-N 3.07Å; T240-H284 WeakPolarHBondContact OG1-CB 3.26Å; T240-H284 PolarHBondContact OG1-O 3.01Å
241	W	97.9	Very high	94.9	Very high	2 Å²	2	59.1 Å²	59.1	1%	0.008	32%	0.32	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-101.7	137	169.8	-83.2	102.7	0	0	0	109.8	V213 L225 C227 Q248 A269 V271 T282 C283	V213-W241 HydrophobicContact CG1-CH2 3.91Å; V213-W241 HydrophobicContact CG1-CZ2 4.36Å; V213-W241 HydrophobicContact CG2-CH2 4.47Å; L225-W241 HydrophobicContact CB-CH2 3.67Å; L225-W241 HydrophobicContact CB-CZ2 3.81Å; L225-W241 HydrophobicContact CB-CZ3 4.46Å; L225-W241 HydrophobicContact CD1-CH2 4.06Å; L225-W241 HydrophobicContact CD1-CZ3 4.22Å; C227-W241 HydrophobicContact CB-CH2 4.45Å; C227-W241 HydrophobicContact CB-CZ2 3.61Å; W241-Q248 HydrophobicContact CB-CB 4.36Å; W241-Q248 PolarHBondContact O-N 2.82Å; W241-A269 VanDerWaalsContact NE1-C 3.34Å; W241-A269 PolarHBondContact NE1-O 3.25Å; W241-V271 HydrophobicContact CB-CG1 3.6Å; W241-V271 HydrophobicContact CB-CG2 4.45Å; W241-V271 HydrophobicContact CD2-CG1 4.23Å; W241-V271 HydrophobicContact CD2-CG2 3.61Å; W241-V271 HydrophobicContact CE3-CG2 3.97Å; W241-V271 HydrophobicContact CG-CB 4.34Å; W241-V271 HydrophobicContact CG-CG1 3.52Å; W241-V271 HydrophobicContact CG-CG2 3.85Å; W241-V271 HydrophobicContact CZ2-CG2 4.25Å; W241-V271 HydrophobicContact CZ3-CG2 4.45Å; W241-T282 WeakPolarHBondContact CA-O 3.28Å; W241-T282 VanDerWaalsContact CE3-C 3.43Å; W241-C283 HydrophobicContact CD2-CB 4.16Å; W241-C283 HydrophobicContact CE3-CB 4.11Å; W241-C283 HydrophobicContact CH2-CB 4.06Å; W241-C283 HydrophobicContact CZ2-CB 4.11Å; W241-C283 HydrophobicContact CZ3-CB 4.06Å
242	Q	97.5	Very high	94.7	Very high	39 Å²	39	59.2 Å²	59.2	18%	0.182	32%	0.317	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-119.8	146.4	172.8	-68.8	-172.9	-4.4	0	0	110.2	E246 D247 Y281 T282 H284	Q242-E246 CarbonylContact C-O 3.53Å; Q242-E246 VanDerWaalsContact CA-O 3.25Å; Q242-E246 WeakPolarHBondContact CA-O 3.49Å; Q242-D247 VanDerWaalsContact CG-OD1 3.23Å; Q242-D247 WeakPolarHBondContact CG-OD1 3.48Å; Q242-D247 PolarHBondContact NE2-OD1 2.75Å; Q242-Y281 CarbonylContact O-C 3.57Å; Q242-Y281 VanDerWaalsContact O-CA 3.26Å; Q242-Y281 WeakPolarHBondContact O-CA 3.47Å; Q242-T282 PolarHBondContact N-O 3.35Å; Q242-T282 PolarHBondContact O-N 3.01Å; Q242-H284 VanDerWaalsContact CD-CD2 3.49Å; Q242-H284 PolarHBondContact OE1-CE1 3.34Å; Q242-H284 PolarHBondContact OE1-NE2 2.91Å
243	R	97.1	Very high	94.7	Very high	82 Å²	82	64.7 Å²	64.7	31%	0.309	34%	0.342	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-118.5	117	168.3	-177.2	-178.3	68	-166	-6	108.5	G245 E246 Q248 R280 Y281	R243-G245 PolarHBondContact O-N 2.89Å; R243-G245 VanDerWaalsContact O-N 3.09Å; R243-E246 PolarHBondContact N-O 3.3Å; R243-E246 PolarHBondContact O-N 3.13Å; R243-Q248 HydrophobicContact CB-CG 3.94Å; R243-R280 WeakPolarHBondContact CA-O 3.22Å; R243-R280 HydrophobicContact CG-CB 4.41Å; R243-Y281 HydrophobicContact CB-CD1 4.13Å; R243-Y281 HydrophobicContact CB-CE1 3.95Å; R243-Y281 WeakPolarHBondContact CD-OH 3.37Å; R243-Y281 HydrophobicContact CG-CD2 4.47Å; R243-Y281 HydrophobicContact CG-CE1 4.18Å; R243-Y281 HydrophobicContact CG-CE2 4.11Å
244	D	94.6	Very high	94.7	Very high	98 Å²	98	68.7 Å²	68.7	52%	0.524	36%	0.363	S	S	.	.	T	Hydrogen-bonded Turn	trans	49.8	32.1	-174.4	-47.2	-62	0	0	0	113.8	R280	D244-R280 PolarHBondContact N-O 2.89Å; D244-R280 IonicContact OD1-CZ 3.94Å; D244-R280 IonicContact OD1-NE 3.06Å; D244-R280 PolarHBondContact OD1-NE 3.37Å; D244-R280 IonicContact OD1-NH2 3.94Å; D244-R280 IonicContact OD2-CZ 3.12Å; D244-R280 IonicContact OD2-NE 2.94Å; D244-R280 PolarHBondContact OD2-NE 3.41Å; D244-R280 IonicContact OD2-NH2 2.61Å; D244-R280 PolarHBondContact OD2-NH2 3.04Å
245	G	91	Very high	94.8	Very high	49 Å²	49	69.4 Å²	69.4	51%	0.505	37%	0.367	S	S	.	.	T	Hydrogen-bonded Turn	trans	88.5	0.3	-177.5	0	0	0	0	0	115.9	R243	R243-G245 PolarHBondContact O-N 2.89Å; R243-G245 VanDerWaalsContact O-N 3.09Å
246	E	95.3	Very high	94.8	Very high	131 Å²	131	77 Å²	77	61%	0.612	40%	0.4	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-98.7	127.2	175.3	-64.2	-173.9	164.9	0	0	111.9	Q242 R243 Q248	Q242-E246 CarbonylContact C-O 3.53Å; Q242-E246 VanDerWaalsContact CA-O 3.25Å; Q242-E246 WeakPolarHBondContact CA-O 3.49Å; R243-E246 PolarHBondContact N-O 3.3Å; R243-E246 PolarHBondContact O-N 3.13Å; E246-Q248 PolarHBondContact O-NE2 2.79Å
247	D	94.9	Very high	94.9	Very high	95 Å²	95	72.4 Å²	72.4	51%	0.508	38%	0.382	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-60.5	134.3	179.3	-68.6	-21.6	0	0	0	112.5	Q242	Q242-D247 VanDerWaalsContact CG-OD1 3.23Å; Q242-D247 WeakPolarHBondContact CG-OD1 3.48Å; Q242-D247 PolarHBondContact NE2-OD1 2.75Å
248	Q	94.9	Very high	95	Very high	15 Å²	15	76.7 Å²	76.7	7%	0.07	40%	0.398	C	S	.	.			trans	-106.1	37.9	-178.5	-57.8	-58.8	-67.9	0	0	112.1	W241 R243 E246 Q250 D251 T252 Y281	W241-Q248 HydrophobicContact CB-CB 4.36Å; W241-Q248 PolarHBondContact O-N 2.82Å; R243-Q248 HydrophobicContact CB-CG 3.94Å; E246-Q248 PolarHBondContact O-NE2 2.79Å; Q248-Q250 VanDerWaalsContact C-N 3.31Å; Q248-Q250 PolarHBondContact O-N 3.11Å; Q248-D251 PolarHBondContact O-N 2.9Å; Q248-T252 WeakPolarHBondContact O-CB 3.39Å; Q248-T252 PolarHBondContact O-N 3.13Å; Q248-T252 VanDerWaalsContact O-N 3.08Å; Q248-T252 PolarHBondContact O-OG1 3.45Å; Q248-Y281 HydrophobicContact CG-CE1 4.39Å
249	T	88.9	Confident	95.1	Very high	106 Å²	106	78.3 Å²	78.3	65%	0.65	41%	0.409	S	S	*	.	T	Hydrogen-bonded Turn	trans	-57.5	-37.1	-169.8	-46.7	0	0	0	0	114.1
250	Q	88.9	Confident	95	Very high	190 Å²	190	80.3 Å²	80.3	89%	0.888	43%	0.427	S	S	*	.	T	Hydrogen-bonded Turn	trans	-75.7	-30.6	-178.3	-66	-174.4	9.8	0	0	113.2	Q248	Q248-Q250 VanDerWaalsContact C-N 3.31Å; Q248-Q250 PolarHBondContact O-N 3.11Å
251	D	87.6	Confident	94.9	Very high	116 Å²	116	81.9 Å²	81.9	62%	0.62	45%	0.452	S	S	*	.	T	Hydrogen-bonded Turn	trans	-95.1	1.9	-177.8	-58.6	-47.6	0	0	0	112.3	Q248	Q248-D251 PolarHBondContact O-N 2.9Å
252	T	94.7	Very high	94.6	Very high	22 Å²	22	87.2 Å²	87.2	14%	0.135	48%	0.48	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-96.1	121.8	179.8	-62.2	0	0	0	0	110.8	Q248 L254 A269 A270 V271	Q248-T252 WeakPolarHBondContact O-CB 3.39Å; Q248-T252 PolarHBondContact O-N 3.13Å; Q248-T252 VanDerWaalsContact O-N 3.08Å; Q248-T252 PolarHBondContact O-OG1 3.45Å; T252-L254 HydrophobicContact CG2-CB 4.42Å; T252-L254 PolarHBondContact O-N 2.75Å; T252-A269 HydrophobicContact CG2-CB 3.93Å; T252-A270 CarbonylContact C-O 3.58Å; T252-A270 WeakPolarHBondContact CA-O 3.31Å; T252-V271 HydrophobicContact CG2-CG1 4.31Å; T252-V271 VanDerWaalsContact OG1-CG1 3.24Å; T252-V271 WeakPolarHBondContact OG1-CG1 3.48Å
253	E	96.6	Very high	94.4	Very high	114 Å²	114	87.3 Å²	87.3	53%	0.533	49%	0.492	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-77.2	105.7	163.2	-173.8	-174.8	-171.6	0	0	108.8	W268 A269 A270	E253-W268 HydrophobicContact CB-CZ3 4.23Å; E253-W268 HydrophobicContact CG-CH2 3.9Å; E253-W268 HydrophobicContact CG-CZ3 3.83Å; E253-W268 WeakPolarHBondContact OE1-CH2 3.24Å; E253-W268 WeakPolarHBondContact OE2-CH2 3.45Å; E253-A269 CarbonylContact O-C 3.53Å; E253-A269 WeakPolarHBondContact O-CA 3.27Å; E253-A270 HydrophobicContact CB-CB 4.41Å; E253-A270 PolarHBondContact N-O 3.21Å; E253-A270 PolarHBondContact O-N 3.1Å
254	L	96.6	Very high	94.3	Very high	88 Å²	88	83.8 Å²	83.8	46%	0.461	48%	0.48	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-110.2	119.5	178	-174.3	68.3	0	0	0	109.9	L239 T252 K267 A269	L239-L254 HydrophobicContact CB-CD1 4.09Å; T252-L254 HydrophobicContact CG2-CB 4.42Å; T252-L254 PolarHBondContact O-N 2.75Å; L254-K267 HydrophobicContact CD1-CD 4.48Å; L254-A269 HydrophobicContact CD1-CB 3.66Å
255	V	96.6	Very high	94.5	Very high	33 Å²	33	80.4 Å²	80.4	20%	0.2	46%	0.46	C	S	.	.	P	Polyproline II helix	trans	-84.2	153.1	175.1	-64.5	0	0	0	0	112.2	K267 W268	V255-K267 HydrophobicContact CG2-CG 4.42Å; V255-K267 VanDerWaalsContact O-CE 3.32Å; V255-K267 WeakPolarHBondContact O-CE 3.48Å; V255-K267 WeakPolarHBondContact O-CG 3.45Å; V255-K267 PolarHBondContact O-NZ 3.19Å; V255-W268 HydrophobicContact CB-CD2 4.48Å; V255-W268 HydrophobicContact CB-CZ2 4.39Å; V255-W268 HydrophobicContact CG1-CD2 3.95Å; V255-W268 HydrophobicContact CG1-CE3 4.26Å; V255-W268 HydrophobicContact CG1-CH2 3.57Å; V255-W268 HydrophobicContact CG1-CZ2 3.17Å; V255-W268 HydrophobicContact CG1-CZ3 4.08Å; V255-W268 HydrophobicContact CG2-CD2 3.74Å; V255-W268 HydrophobicContact CG2-CE3 4.47Å; V255-W268 HydrophobicContact CG2-CG 3.71Å; V255-W268 HydrophobicContact CG2-CZ2 4.4Å; V255-W268 WeakPolarHBondContact CG2-O 3.25Å; V255-W268 PolarHBondContact N-O 3.03Å
256	E	96.7	Very high	94.9	Very high	173 Å²	173	80.1 Å²	80.1	81%	0.808	45%	0.446	S	S	*	.	P	Polyproline II helix	trans	-58.1	148.2	167.5	-68.2	-175	173.2	0	0	111.2	R258	E256-R258 PolarHBondContact O-N 3.35Å
257	T	97.8	Very high	95	Very high	46 Å²	46	74.9 Å²	74.9	28%	0.282	42%	0.421	S	S	.	.	P	Polyproline II helix	trans	-68	129.4	174.8	-56.4	0	0	0	0	108.5	F232 A235 F265 K267	F232-T257 HydrophobicContact CE2-CG2 4.11Å; F232-T257 HydrophobicContact CZ-CG2 3.9Å; A235-T257 HydrophobicContact CB-CG2 4.3Å; T257-F265 HydrophobicContact CG2-CB 3.77Å; T257-F265 HydrophobicContact CG2-CD1 3.92Å; T257-F265 HydrophobicContact CG2-CG 4.12Å; T257-K267 WeakPolarHBondContact OG1-CD 3.34Å; T257-K267 PolarHBondContact OG1-NZ 3.42Å
258	R	97.4	Very high	95.2	Very high	100 Å²	100	71.5 Å²	71.5	38%	0.377	40%	0.401	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-125.3	145	-174.8	69	-167.9	-179.5	-175.7	3.6	111.5	E256 F265 Q266	E256-R258 PolarHBondContact O-N 3.35Å; R258-F265 WeakPolarHBondContact O-CA 3.35Å; R258-Q266 HydrophobicContact CG-CG 3.59Å; R258-Q266 PolarHBondContact N-O 2.86Å; R258-Q266 WeakPolarHBondContact O-CG 3.48Å; R258-Q266 PolarHBondContact O-N 2.89Å
259	P	97.3	Very high	95.3	Very high	95 Å²	95	70.8 Å²	70.8	62%	0.617	40%	0.398	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-69.1	144.5	178.2	28.6	-34.5	0	0	0	111.1	F265	P259-F265 HydrophobicContact CB-CE1 4.3Å
260	A	96.6	Very high	95.7	Very high	50 Å²	50	65.8 Å²	65.8	41%	0.413	37%	0.367	S	S	.	.			trans	-87.7	-17.4	173.1	0	0	0	0	0	112.9	T264	A260-T264 WeakPolarHBondContact CB-O 3.19Å; A260-T264 PolarHBondContact N-O 3.07Å
261	G	93.5	Very high	96.2	Very high	76 Å²	76	57 Å²	57	78%	0.784	33%	0.326	S	S	*	.	S	Bend	trans	96.5	-7.6	178.9	0	0	0	0	0	115
262	D	93	Very high	96.6	Very high	113 Å²	113	55 Å²	55	60%	0.604	32%	0.318	S	S	*	.	S	Bend	trans	-104.3	11.1	175.9	60.9	0.8	0	0	0	113.1	T264	D262-T264 WeakPolarHBondContact OD1-CB 3.13Å; D262-T264 PolarHBondContact OD1-N 2.04Å; D262-T264 PolarHBondContact OD1-OG1 3.36Å
263	G	91.8	Very high	96.7	Very high	41 Å²	41	54 Å²	54	42%	0.423	31%	0.312	S	S	.	.	S	Bend	trans	89.8	0.3	-174.1	0	0	0	0	0	114.2	Y233	Y233-G263 WeakPolarHBondContact CD2-O 3.42Å
264	T	96.6	Very high	96.7	Very high	9 Å²	9	50.7 Å²	50.7	6%	0.055	30%	0.301	C	S	.	.			trans	-105.1	172.8	173.3	73.3	0	0	0	0	112.3	G231 F232 A260 D262	G231-T264 WeakPolarHBondContact CA-OG1 3.46Å; F232-T264 CarbonylContact O-C 3.56Å; F232-T264 WeakPolarHBondContact O-CA 3.4Å; A260-T264 WeakPolarHBondContact CB-O 3.19Å; A260-T264 PolarHBondContact N-O 3.07Å; D262-T264 WeakPolarHBondContact OD1-CB 3.13Å; D262-T264 PolarHBondContact OD1-N 2.04Å; D262-T264 PolarHBondContact OD1-OG1 3.36Å
265	F	98.1	Very high	96.5	Very high	27 Å²	27	49.1 Å²	49.1	12%	0.118	30%	0.297	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-121.3	163	-177.2	-63.8	-86.6	0	0	0	112.4	D54 G231 F232 Y233 A235 T257 R258 P259	D54-F265 HydrophobicContact CB-CE2 3.76Å; D54-F265 HydrophobicContact CB-CZ 3.69Å; G231-F265 PolarHBondContact N-O 3.27Å; F232-F265 VanDerWaalsContact CD1-O 3.31Å; F232-F265 WeakPolarHBondContact CD1-O 3.06Å; F232-F265 HydrophobicContact CD2-CB 3.97Å; F232-F265 HydrophobicContact CE1-CB 4.26Å; F232-F265 WeakPolarHBondContact CE1-O 3.47Å; F232-F265 HydrophobicContact CE2-CB 3.51Å; F232-F265 HydrophobicContact CZ-CB 3.66Å; F232-F265 PolarHBondContact N-O 3.33Å; F232-F265 PolarHBondContact O-N 2.97Å; Y233-F265 HydrophobicContact CD2-CD2 4.46Å; Y233-F265 HydrophobicContact CD2-CE2 4.02Å; Y233-F265 HydrophobicContact CE2-CE2 4.46Å; A235-F265 HydrophobicContact CB-CD1 3.73Å; A235-F265 HydrophobicContact CB-CD2 3.69Å; A235-F265 HydrophobicContact CB-CE1 3.71Å; A235-F265 HydrophobicContact CB-CE2 3.68Å; A235-F265 HydrophobicContact CB-CG 3.73Å; A235-F265 HydrophobicContact CB-CZ 3.71Å; T257-F265 HydrophobicContact CG2-CB 3.77Å; T257-F265 HydrophobicContact CG2-CD1 3.92Å; T257-F265 HydrophobicContact CG2-CG 4.12Å; R258-F265 WeakPolarHBondContact O-CA 3.35Å; P259-F265 HydrophobicContact CB-CE1 4.3Å
266	Q	98.2	Very high	96.2	Very high	43 Å²	43	50.8 Å²	50.8	20%	0.201	32%	0.321	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-141.4	146	174.2	41.5	166.6	-19.5	0	0	110.1	A229 L230 R258	A229-Q266 CarbonylContact O-C 3.59Å; A229-Q266 VanDerWaalsContact O-CA 3.24Å; A229-Q266 WeakPolarHBondContact O-CA 3.29Å; L230-Q266 HydrophobicContact CD2-CB 3.57Å; R258-Q266 HydrophobicContact CG-CG 3.59Å; R258-Q266 PolarHBondContact N-O 2.86Å; R258-Q266 WeakPolarHBondContact O-CG 3.48Å; R258-Q266 PolarHBondContact O-N 2.89Å
267	K	98.4	Very high	96.1	Very high	21 Å²	21	45.7 Å²	45.7	9%	0.091	30%	0.297	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-150.9	154.8	177.3	-162.5	-175.8	-172.3	69.6	0	108.9	A229 F232 I237 L239 L254 V255 T257	A229-K267 PolarHBondContact N-O 2.88Å; A229-K267 PolarHBondContact O-N 3.27Å; A229-K267 VanDerWaalsContact O-O 3.1Å; F232-K267 HydrophobicContact CE1-CB 4.36Å; F232-K267 HydrophobicContact CZ-CB 4.12Å; I237-K267 HydrophobicContact CG2-CB 4.27Å; I237-K267 HydrophobicContact CG2-CD 3.59Å; L239-K267 HydrophobicContact CD1-CD 4.25Å; L239-K267 HydrophobicContact CD2-CB 4.42Å; L239-K267 HydrophobicContact CD2-CG 4.45Å; L254-K267 HydrophobicContact CD1-CD 4.48Å; V255-K267 HydrophobicContact CG2-CG 4.42Å; V255-K267 VanDerWaalsContact O-CE 3.32Å; V255-K267 WeakPolarHBondContact O-CE 3.48Å; V255-K267 WeakPolarHBondContact O-CG 3.45Å; V255-K267 PolarHBondContact O-NZ 3.19Å; T257-K267 WeakPolarHBondContact OG1-CD 3.34Å; T257-K267 PolarHBondContact OG1-NZ 3.42Å
268	W	98.1	Very high	95.9	Very high	23 Å²	23	44.5 Å²	44.5	9%	0.087	29%	0.288	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-144.4	157.3	169.5	58.6	-97.7	0	0	0	111.5	R226 C227 W228 E253 V255 A270	R226-W268 HydrophobicContact CG-CB 4.01Å; R226-W268 HydrophobicContact CG-CD2 4.1Å; R226-W268 HydrophobicContact CG-CE3 3.86Å; R226-W268 HydrophobicContact CG-CG 4.22Å; C227-W268 CarbonylContact O-C 3.6Å; C227-W268 WeakPolarHBondContact O-CA 3.45Å; C227-W268 WeakPolarHBondContact O-CB 3.38Å; W228-W268 HydrophobicContact CD2-CB 3.94Å; W228-W268 HydrophobicContact CD2-CG 4.43Å; W228-W268 HydrophobicContact CE3-CB 3.86Å; W228-W268 AromaticContact CE3-CD1 3.83Å; W228-W268 HydrophobicContact CE3-CG 4.14Å; W228-W268 HydrophobicContact CG-CB 4.38Å; W228-W268 AromaticContact CH2-CD1 3.6Å; W228-W268 HydrophobicContact CH2-CG 4.22Å; W228-W268 AromaticContact CH2-NE1 4Å; W228-W268 HydrophobicContact CZ2-CG 4.5Å; W228-W268 HydrophobicContact CZ3-CB 4.27Å; W228-W268 AromaticContact CZ3-CD1 3.36Å; W228-W268 HydrophobicContact CZ3-CG 4.05Å; E253-W268 HydrophobicContact CB-CZ3 4.23Å; E253-W268 HydrophobicContact CG-CH2 3.9Å; E253-W268 HydrophobicContact CG-CZ3 3.83Å; E253-W268 WeakPolarHBondContact OE1-CH2 3.24Å; E253-W268 WeakPolarHBondContact OE2-CH2 3.45Å; V255-W268 HydrophobicContact CB-CD2 4.48Å; V255-W268 HydrophobicContact CB-CZ2 4.39Å; V255-W268 HydrophobicContact CG1-CD2 3.95Å; V255-W268 HydrophobicContact CG1-CE3 4.26Å; V255-W268 HydrophobicContact CG1-CH2 3.57Å; V255-W268 HydrophobicContact CG1-CZ2 3.17Å; V255-W268 HydrophobicContact CG1-CZ3 4.08Å; V255-W268 HydrophobicContact CG2-CD2 3.74Å; V255-W268 HydrophobicContact CG2-CE3 4.47Å; V255-W268 HydrophobicContact CG2-CG 3.71Å; V255-W268 HydrophobicContact CG2-CZ2 4.4Å; V255-W268 WeakPolarHBondContact CG2-O 3.25Å; V255-W268 PolarHBondContact N-O 3.03Å; W268-A270 HydrophobicContact CE3-CB 3.94Å; W268-A270 HydrophobicContact CZ3-CB 3.64Å
269	A	98.1	Very high	95.8	Very high	0 Å²	0	44.9 Å²	44.9	0%	0	29%	0.294	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-129.3	133.8	173.8	0	0	0	0	0	108.5	R226 C227 L239 W241 T252 E253 L254	R226-A269 WeakPolarHBondContact CA-O 3.48Å; C227-A269 PolarHBondContact N-O 3.23Å; C227-A269 PolarHBondContact O-N 3.4Å; L239-A269 HydrophobicContact CB-CB 4.14Å; L239-A269 HydrophobicContact CD2-CB 4.33Å; W241-A269 VanDerWaalsContact NE1-C 3.34Å; W241-A269 PolarHBondContact NE1-O 3.25Å; T252-A269 HydrophobicContact CG2-CB 3.93Å; E253-A269 CarbonylContact O-C 3.53Å; E253-A269 WeakPolarHBondContact O-CA 3.27Å; L254-A269 HydrophobicContact CD1-CB 3.66Å
270	A	97.8	Very high	95.7	Very high	2 Å²	2	45.5 Å²	45.5	2%	0.017	29%	0.285	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-126.5	145	179.9	0	0	0	0	0	112.3	T224 L225 R226 T252 E253 W268	T224-A270 HydrophobicContact CG2-CB 3.89Å; L225-A270 CarbonylContact O-C 3.5Å; L225-A270 WeakPolarHBondContact O-CA 3.41Å; R226-A270 HydrophobicContact CB-CB 3.97Å; R226-A270 HydrophobicContact CG-CB 4.14Å; T252-A270 CarbonylContact C-O 3.58Å; T252-A270 WeakPolarHBondContact CA-O 3.31Å; E253-A270 HydrophobicContact CB-CB 4.41Å; E253-A270 PolarHBondContact N-O 3.21Å; E253-A270 PolarHBondContact O-N 3.1Å; W268-A270 HydrophobicContact CE3-CB 3.94Å; W268-A270 HydrophobicContact CZ3-CB 3.64Å
271	V	97.8	Very high	95.7	Very high	4 Å²	4	43.6 Å²	43.6	2%	0.024	27%	0.267	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-132.2	144.4	174.9	-71.7	0	0	0	0	109.7	T224 L225 W241 T252 V273 Y281	T224-V271 WeakPolarHBondContact CA-O 3.37Å; L225-V271 HydrophobicContact CB-CG2 4.17Å; L225-V271 PolarHBondContact N-O 3.46Å; L225-V271 PolarHBondContact O-N 2.87Å; W241-V271 HydrophobicContact CB-CG1 3.6Å; W241-V271 HydrophobicContact CB-CG2 4.45Å; W241-V271 HydrophobicContact CD2-CG1 4.23Å; W241-V271 HydrophobicContact CD2-CG2 3.61Å; W241-V271 HydrophobicContact CE3-CG2 3.97Å; W241-V271 HydrophobicContact CG-CB 4.34Å; W241-V271 HydrophobicContact CG-CG1 3.52Å; W241-V271 HydrophobicContact CG-CG2 3.85Å; W241-V271 HydrophobicContact CZ2-CG2 4.25Å; W241-V271 HydrophobicContact CZ3-CG2 4.45Å; T252-V271 HydrophobicContact CG2-CG1 4.31Å; T252-V271 VanDerWaalsContact OG1-CG1 3.24Å; T252-V271 WeakPolarHBondContact OG1-CG1 3.48Å; V271-V273 HydrophobicContact CB-CG1 4.42Å; V271-V273 HydrophobicContact CG2-CG1 3.76Å; V271-Y281 HydrophobicContact CG2-CD1 4.01Å; V271-Y281 HydrophobicContact CG2-CE1 4.46Å
272	V	97.3	Very high	95.9	Very high	74 Å²	74	41.4 Å²	41.4	45%	0.448	24%	0.238	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-85.8	128.2	168.3	-179	0	0	0	0	108	L218 E222 A223	L218-V272 HydrophobicContact CD1-CG1 4.22Å; L218-V272 HydrophobicContact CD1-CG2 4.24Å; E222-V272 HydrophobicContact CB-CG1 4.14Å; E222-V272 HydrophobicContact CG-CG1 4.37Å; A223-V272 WeakPolarHBondContact O-CA 3.47Å
273	V	96.4	Very high	96.2	Very high	1 Å²	1	36 Å²	36	1%	0.006	21%	0.21	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-126.6	144.1	-176.2	-52.6	0	0	0	0	110.3	E222 A223 L225 V271 E278 Y281	E222-V273 WeakPolarHBondContact CA-O 3.17Å; A223-V273 HydrophobicContact CB-CG2 4.48Å; A223-V273 PolarHBondContact N-O 2.83Å; A223-V273 PolarHBondContact O-N 3.07Å; L225-V273 HydrophobicContact CD1-CG1 4Å; L225-V273 HydrophobicContact CD1-CG2 4.07Å; L225-V273 HydrophobicContact CG-CG1 4.14Å; L225-V273 HydrophobicContact CG-CG2 3.84Å; V271-V273 HydrophobicContact CB-CG1 4.42Å; V271-V273 HydrophobicContact CG2-CG1 3.76Å; V273-E278 HydrophobicContact CG2-CG 3.92Å; V273-Y281 HydrophobicContact CB-CD2 4Å; V273-Y281 HydrophobicContact CB-CE2 3.74Å; V273-Y281 HydrophobicContact CG1-CD1 3.69Å; V273-Y281 HydrophobicContact CG1-CD2 3.58Å; V273-Y281 HydrophobicContact CG1-CE1 3.66Å; V273-Y281 HydrophobicContact CG1-CE2 3.58Å; V273-Y281 HydrophobicContact CG1-CG 3.63Å
274	P	96.1	Very high	96.4	Very high	46 Å²	46	36.1 Å²	36.1	30%	0.299	20%	0.199	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-65	140	170.9	-19.7	32.1	0	0	0	111.3	H221 G276 Q277	H221-P274 CarbonylContact O-C 3.58Å; H221-P274 WeakPolarHBondContact O-CA 3.27Å; P274-G276 PolarHBondContact O-N 3.36Å; P274-Q277 HydrophobicContact CB-CB 4.4Å; P274-Q277 HydrophobicContact CB-CG 4.18Å; P274-Q277 WeakPolarHBondContact O-CB 3.45Å; P274-Q277 PolarHBondContact O-N 3.15Å
275	S	92.1	Very high	96.4	Very high	54 Å²	54	35.7 Å²	35.7	38%	0.378	20%	0.196	S	C	.	.	T	Hydrogen-bonded Turn	trans	-53.5	130.1	175.2	-61.9	0	0	0	0	111.1	D220 H221 E222 Q277 E278	D220-S275 WeakPolarHBondContact O-CB 3.06Å; D220-S275 PolarHBondContact O-OG 3.02Å; H221-S275 PolarHBondContact O-N 3.24Å; H221-S275 PolarHBondContact O-OG 3.02Å; E222-S275 PolarHBondContact N-OG 3.05Å; S275-Q277 VanDerWaalsContact C-N 3.32Å; S275-E278 WeakPolarHBondContact CA-OE1 3.04Å
276	G	91.1	Very high	96.3	Very high	69 Å²	69	38.9 Å²	38.9	71%	0.711	21%	0.212	S	C	*	.	T	Hydrogen-bonded Turn	trans	84.8	-2	-178.6	0	0	0	0	0	114.9	P274 E278	P274-G276 PolarHBondContact O-N 3.36Å; G276-E278 WeakPolarHBondContact CA-OE2 3.5Å; G276-E278 VanDerWaalsContact N-CD 3.28Å; G276-E278 PolarHBondContact N-OE1 2.94Å; G276-E278 PolarHBondContact N-OE2 3.45Å
277	Q	94.7	Very high	96.2	Very high	66 Å²	66	37 Å²	37	31%	0.308	20%	0.203	S	C	.	.			trans	-105.9	6.2	174.9	-60.3	-167.9	37.8	0	0	113.2	P274 S275 Q279 R280 Y281	P274-Q277 HydrophobicContact CB-CB 4.4Å; P274-Q277 HydrophobicContact CB-CG 4.18Å; P274-Q277 WeakPolarHBondContact O-CB 3.45Å; P274-Q277 PolarHBondContact O-N 3.15Å; S275-Q277 VanDerWaalsContact C-N 3.32Å; Q277-Q279 PolarHBondContact O-N 2.82Å; Q277-Q279 VanDerWaalsContact O-N 3.13Å; Q277-R280 WeakPolarHBondContact O-CB 3.28Å; Q277-R280 PolarHBondContact O-N 2.76Å; Q277-Y281 HydrophobicContact CB-CE2 4.46Å; Q277-Y281 WeakPolarHBondContact O-CD2 3.44Å
278	E	94.4	Very high	95.9	Very high	20 Å²	20	39.4 Å²	39.4	9%	0.093	21%	0.214	C	C	.	.	G	3₁₀ helix	trans	-57.2	-35.1	-172.9	-57.6	81	-178.5	0	0	112.3	L225 V273 S275 G276 R280 Y281 W298	L225-E278 HydrophobicContact CD1-CB 4.1Å; L225-E278 HydrophobicContact CD2-CG 4.37Å; V273-E278 HydrophobicContact CG2-CG 3.92Å; S275-E278 WeakPolarHBondContact CA-OE1 3.04Å; G276-E278 WeakPolarHBondContact CA-OE2 3.5Å; G276-E278 VanDerWaalsContact N-CD 3.28Å; G276-E278 PolarHBondContact N-OE1 2.94Å; G276-E278 PolarHBondContact N-OE2 3.45Å; E278-R280 PolarHBondContact O-N 3.37Å; E278-Y281 PolarHBondContact O-N 3.03Å; E278-Y281 VanDerWaalsContact O-N 3.15Å; E278-W298 HydrophobicContact CB-CD2 4.38Å; E278-W298 HydrophobicContact CB-CE3 3.39Å; E278-W298 HydrophobicContact CB-CZ3 3.78Å; E278-W298 HydrophobicContact CG-CE3 3.74Å; E278-W298 HydrophobicContact CG-CZ3 3.75Å
279	Q	94.1	Very high	95.6	Very high	108 Å²	108	39.3 Å²	39.3	51%	0.505	22%	0.22	S	C	.	.	G	3₁₀ helix	trans	-70.5	-15.7	179.8	-63.2	-57.5	-42.6	0	0	114.1	Q277 W298	Q277-Q279 PolarHBondContact O-N 2.82Å; Q277-Q279 VanDerWaalsContact O-N 3.13Å; Q279-W298 PolarHBondContact NE2-O 3.21Å
280	R	96.1	Very high	95.4	Very high	109 Å²	109	40.1 Å²	40.1	41%	0.411	23%	0.225	S	C	.	.	G	3₁₀ helix	trans	-78.5	-13.8	174.1	-63.7	175	67.8	-176	8.6	112.2	R243 D244 Q277 E278	R243-R280 WeakPolarHBondContact CA-O 3.22Å; R243-R280 HydrophobicContact CG-CB 4.41Å; D244-R280 PolarHBondContact N-O 2.89Å; D244-R280 IonicContact OD1-CZ 3.94Å; D244-R280 IonicContact OD1-NE 3.06Å; D244-R280 PolarHBondContact OD1-NE 3.37Å; D244-R280 IonicContact OD1-NH2 3.94Å; D244-R280 IonicContact OD2-CZ 3.12Å; D244-R280 IonicContact OD2-NE 2.94Å; D244-R280 PolarHBondContact OD2-NE 3.41Å; D244-R280 IonicContact OD2-NH2 2.61Å; D244-R280 PolarHBondContact OD2-NH2 3.04Å; Q277-R280 WeakPolarHBondContact O-CB 3.28Å; Q277-R280 PolarHBondContact O-N 2.76Å; E278-R280 PolarHBondContact O-N 3.37Å
281	Y	97.1	Very high	95	Very high	9 Å²	9	49.7 Å²	49.7	4%	0.035	27%	0.269	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-100.2	126.9	-177.7	-69.8	-101	0	0	0	110.6	Q242 R243 Q248 V271 V273 Q277 E278	Q242-Y281 CarbonylContact O-C 3.57Å; Q242-Y281 VanDerWaalsContact O-CA 3.26Å; Q242-Y281 WeakPolarHBondContact O-CA 3.47Å; R243-Y281 HydrophobicContact CB-CD1 4.13Å; R243-Y281 HydrophobicContact CB-CE1 3.95Å; R243-Y281 WeakPolarHBondContact CD-OH 3.37Å; R243-Y281 HydrophobicContact CG-CD2 4.47Å; R243-Y281 HydrophobicContact CG-CE1 4.18Å; R243-Y281 HydrophobicContact CG-CE2 4.11Å; Q248-Y281 HydrophobicContact CG-CE1 4.39Å; V271-Y281 HydrophobicContact CG2-CD1 4.01Å; V271-Y281 HydrophobicContact CG2-CE1 4.46Å; V273-Y281 HydrophobicContact CB-CD2 4Å; V273-Y281 HydrophobicContact CB-CE2 3.74Å; V273-Y281 HydrophobicContact CG1-CD1 3.69Å; V273-Y281 HydrophobicContact CG1-CD2 3.58Å; V273-Y281 HydrophobicContact CG1-CE1 3.66Å; V273-Y281 HydrophobicContact CG1-CE2 3.58Å; V273-Y281 HydrophobicContact CG1-CG 3.63Å; Q277-Y281 HydrophobicContact CB-CE2 4.46Å; Q277-Y281 WeakPolarHBondContact O-CD2 3.44Å; E278-Y281 PolarHBondContact O-N 3.03Å; E278-Y281 VanDerWaalsContact O-N 3.15Å
282	T	97.6	Very high	94.8	Very high	31 Å²	31	56.7 Å²	56.7	19%	0.19	30%	0.301	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-125.4	134.4	177.1	51.2	0	0	0	0	110.4	W241 Q242 H284 T295 L296	W241-T282 WeakPolarHBondContact CA-O 3.28Å; W241-T282 VanDerWaalsContact CE3-C 3.43Å; Q242-T282 PolarHBondContact N-O 3.35Å; Q242-T282 PolarHBondContact O-N 3.01Å; T282-H284 PolarHBondContact OG1-NE2 3.19Å; T282-T295 HydrophobicContact CG2-CG2 4.05Å; T282-L296 CarbonylContact C-O 3.58Å; T282-L296 WeakPolarHBondContact CA-O 3.07Å
283	C	97.8	Very high	94.6	Very high	0 Å²	0	56.1 Å²	56.1	0%	0	30%	0.3	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-91	120.9	171.9	175.5	0	0	0	0	109.2	C227 T240 W241 T295 L296	C227-C283 HydrophobicContact CB-CB 3.53Å; C227-C283 WeakPolarHBondContact CB-SG 3.45Å; C227-C283 WeakPolarHBondContact SG-CB 3.43Å; C227-C283 CovalentContact SG-SG 2.04Å; C227-C283 PolarHBondContact SG-SG 3.2Å; T240-C283 CarbonylContact O-C 3.54Å; T240-C283 WeakPolarHBondContact O-CA 3.38Å; W241-C283 HydrophobicContact CD2-CB 4.16Å; W241-C283 HydrophobicContact CE3-CB 4.11Å; W241-C283 HydrophobicContact CH2-CB 4.06Å; W241-C283 HydrophobicContact CZ2-CB 4.11Å; W241-C283 HydrophobicContact CZ3-CB 4.06Å; C283-T295 CarbonylContact O-C 3.52Å; C283-T295 WeakPolarHBondContact O-CA 3.43Å; C283-L296 HydrophobicContact CB-CB 4.3Å; C283-L296 PolarHBondContact N-O 3.46Å; C283-L296 PolarHBondContact O-N 2.95Å
284	H	97.1	Very high	94.6	Very high	42 Å²	42	58.8 Å²	58.8	19%	0.194	31%	0.313	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-101.4	129.7	176.2	-68.2	-101.9	0	0	0	109.8	T240 Q242 T282 L294 T295	T240-H284 PolarHBondContact N-O 3.18Å; T240-H284 PolarHBondContact O-N 3.07Å; T240-H284 WeakPolarHBondContact OG1-CB 3.26Å; T240-H284 PolarHBondContact OG1-O 3.01Å; Q242-H284 VanDerWaalsContact CD-CD2 3.49Å; Q242-H284 PolarHBondContact OE1-CE1 3.34Å; Q242-H284 PolarHBondContact OE1-NE2 2.91Å; T282-H284 PolarHBondContact OG1-NE2 3.19Å; H284-L294 WeakPolarHBondContact CA-O 3.41Å; H284-T295 PolarHBondContact CE1-OG1 3.13Å; H284-T295 PolarHBondContact ND1-OG1 3.01Å
285	M	96.4	Very high	94.6	Very high	0 Å²	0	60.4 Å²	60.4	0%	0	32%	0.322	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-131.1	131.1	-174.1	-174.2	176.3	-56.6	0	0	111.7	P209 T211 A229 I237 T238 L239 L290 P293 L294 L296	P209-M285 HydrophobicContact CB-SD 3.9Å; P209-M285 HydrophobicContact CG-CG 4.48Å; P209-M285 HydrophobicContact CG-SD 3.4Å; P209-M285 WeakPolarHBondContact CG-SD 3.28Å; T211-M285 HydrophobicContact CG2-CE 3.5Å; T211-M285 HydrophobicContact CG2-SD 3.36Å; T211-M285 WeakPolarHBondContact CG2-SD 3.47Å; A229-M285 HydrophobicContact CB-CE 3.68Å; A229-M285 HydrophobicContact CB-SD 3.93Å; I237-M285 HydrophobicContact CD1-CG 4.19Å; I237-M285 HydrophobicContact CD1-SD 4.06Å; I237-M285 HydrophobicContact CG1-CG 4.41Å; T238-M285 VanDerWaalsContact O-CA 3.31Å; T238-M285 WeakPolarHBondContact O-CA 3.35Å; L239-M285 HydrophobicContact CD1-CE 4.04Å; L239-M285 HydrophobicContact CD1-CG 3.99Å; L239-M285 HydrophobicContact CD1-SD 4.38Å; L239-M285 HydrophobicContact CD2-CE 4.22Å; L239-M285 HydrophobicContact CG-CE 3.96Å; M285-L290 HydrophobicContact CG-CD1 4.37Å; M285-P293 CarbonylContact O-C 3.58Å; M285-P293 WeakPolarHBondContact O-CA 3.17Å; M285-L294 HydrophobicContact CB-CB 4.36Å; M285-L294 PolarHBondContact N-O 3.21Å; M285-L294 PolarHBondContact O-N 3.29Å; M285-L296 HydrophobicContact CE-CD1 4.33Å
286	Q	96.3	Very high	94.7	Very high	95 Å²	95	59.5 Å²	59.5	44%	0.444	31%	0.313	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-127.1	131.9	175.4	-58.2	179.9	9.3	0	0	109.5	I237 T238 P293	I237-Q286 WeakPolarHBondContact CG1-O 3.36Å; T238-Q286 PolarHBondContact N-O 3.2Å; T238-Q286 PolarHBondContact O-N 2.84Å; Q286-P293 HydrophobicContact CG-CB 4Å; Q286-P293 HydrophobicContact CG-CG 4.13Å
287	H	95.2	Very high	94.9	Very high	4 Å²	4	59 Å²	59	2%	0.019	30%	0.298	C	S	.	.			trans	-159.2	140.7	-177.9	-176.8	-98.5	0	0	0	109.4	W23 E207 P209 F232 Y233 P234 E236 I237 G289 L290	W23-H287 WeakPolarHBondContact CH2-O 3.43Å; E207-H287 PolarHBondContact O-CE1 2.99Å; E207-H287 VanDerWaalsContact O-CE1 3.22Å; P209-H287 HydrophobicContact CG-CB 4.3Å; F232-H287 AromaticContact CD2-CD2 3.79Å; F232-H287 AromaticContact CD2-NE2 3.65Å; Y233-H287 PolarHBondContact O-CE1 3.49Å; P234-H287 PolarHBondContact O-NE2 2.92Å; E236-H287 PolarHBondContact O-CD2 3.1Å; I237-H287 HydrophobicContact CD1-CB 4.18Å; I237-H287 HydrophobicContact CG1-CB 3.99Å; H287-G289 PolarHBondContact CE1-N 3.32Å; H287-G289 WeakPolarHBondContact ND1-CA 3.32Å; H287-G289 PolarHBondContact ND1-N 3.33Å; H287-G289 PolarHBondContact O-N 3.08Å; H287-L290 HydrophobicContact CB-CD1 3.95Å; H287-L290 HydrophobicContact CB-CG 4.16Å; H287-L290 WeakPolarHBondContact O-CB 3.23Å; H287-L290 PolarHBondContact O-N 3.46Å
288	E	92	Very high	94.9	Very high	70 Å²	70	58 Å²	58	33%	0.327	29%	0.292	S	S	.	.	T	Hydrogen-bonded Turn	trans	-55.3	-23	-179	-176.3	-179.4	140	0	0	114.7	W23 C25 A206 L290	W23-E288 HydrophobicContact CE3-CB 4.44Å; W23-E288 HydrophobicContact CE3-CG 4.16Å; W23-E288 HydrophobicContact CZ3-CB 4.38Å; W23-E288 HydrophobicContact CZ3-CG 4.43Å; W23-E288 WeakPolarHBondContact CZ3-O 3.4Å; C25-E288 PolarHBondContact SG-OE1 2.94Å; A206-E288 HydrophobicContact CB-CG 4.15Å; E288-L290 VanDerWaalsContact C-N 3.28Å; E288-L290 PolarHBondContact O-N 3.05Å
289	G	92.2	Very high	94.5	Very high	21 Å²	21	65.1 Å²	65.1	22%	0.216	33%	0.325	C	S	.	.	T	Hydrogen-bonded Turn	trans	-76.6	-12.3	176.4	0	0	0	0	0	114.3	H287	H287-G289 PolarHBondContact CE1-N 3.32Å; H287-G289 WeakPolarHBondContact ND1-CA 3.32Å; H287-G289 PolarHBondContact ND1-N 3.33Å; H287-G289 PolarHBondContact O-N 3.08Å
290	L	93.9	Very high	93.8	Very high	18 Å²	18	63.4 Å²	63.4	9%	0.094	32%	0.323	C	S	.	.			trans	-95.3	136.4	-175.6	-63.3	171.7	0	0	0	111.2	W23 P208 P209 M285 H287 E288 E292 L294	W23-L290 WeakPolarHBondContact CH2-O 3.37Å; W23-L290 WeakPolarHBondContact CZ3-O 3.37Å; P208-L290 HydrophobicContact CB-CD2 3.88Å; P209-L290 HydrophobicContact CG-CD1 4.14Å; P209-L290 HydrophobicContact CG-CD2 4.42Å; P209-L290 HydrophobicContact CG-CG 4.4Å; M285-L290 HydrophobicContact CG-CD1 4.37Å; H287-L290 HydrophobicContact CB-CD1 3.95Å; H287-L290 HydrophobicContact CB-CG 4.16Å; H287-L290 WeakPolarHBondContact O-CB 3.23Å; H287-L290 PolarHBondContact O-N 3.46Å; E288-L290 VanDerWaalsContact C-N 3.28Å; E288-L290 PolarHBondContact O-N 3.05Å; L290-E292 VanDerWaalsContact C-N 3.31Å; L290-E292 PolarHBondContact O-N 3.34Å; L290-L294 HydrophobicContact CD1-CB 4.43Å; L290-L294 HydrophobicContact CD1-CD1 3.91Å; L290-L294 HydrophobicContact CD1-CG 3.89Å; L290-L294 HydrophobicContact CD2-CD1 3.52Å; L290-L294 HydrophobicContact CD2-CG 3.93Å; L290-L294 HydrophobicContact CG-CD1 4.37Å; L290-L294 HydrophobicContact CG-CG 4.48Å
291	Q	90.8	Very high	92.3	Very high	202 Å²	202	62.9 Å²	62.9	94%	0.944	34%	0.337	S	S	*	.	S	Bend	trans	-69.2	-34	175.5	-68.6	-178.6	-3	0	0	112.3
292	E	91.9	Very high	89.9	Confident	151 Å²	151	67.8 Å²	67.8	71%	0.706	37%	0.372	S	S	*	.	S	Bend	trans	-140.3	152.9	177.4	-65.7	-177.3	176.9	0	0	109.1	L290 L294	L290-E292 VanDerWaalsContact C-N 3.31Å; L290-E292 PolarHBondContact O-N 3.34Å; E292-L294 PolarHBondContact O-N 3.04Å
293	P	94.2	Very high	87.4	Confident	63 Å²	63	73.8 Å²	73.8	41%	0.409	40%	0.398	S	S	.	.			trans	-52.6	134	172.5	-27	35.9	0	0	0	112	M285 Q286	M285-P293 CarbonylContact O-C 3.58Å; M285-P293 WeakPolarHBondContact O-CA 3.17Å; Q286-P293 HydrophobicContact CG-CB 4Å; Q286-P293 HydrophobicContact CG-CG 4.13Å
294	L	95	Very high	84.9	Confident	57 Å²	57	78.9 Å²	78.9	30%	0.298	43%	0.431	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-89	140	177.4	-69.9	178.9	0	0	0	110.7	T211 H284 M285 L290 E292	T211-L294 HydrophobicContact CG2-CD1 4.36Å; H284-L294 WeakPolarHBondContact CA-O 3.41Å; M285-L294 HydrophobicContact CB-CB 4.36Å; M285-L294 PolarHBondContact N-O 3.21Å; M285-L294 PolarHBondContact O-N 3.29Å; L290-L294 HydrophobicContact CD1-CB 4.43Å; L290-L294 HydrophobicContact CD1-CD1 3.91Å; L290-L294 HydrophobicContact CD1-CG 3.89Å; L290-L294 HydrophobicContact CD2-CD1 3.52Å; L290-L294 HydrophobicContact CD2-CG 3.93Å; L290-L294 HydrophobicContact CG-CD1 4.37Å; L290-L294 HydrophobicContact CG-CG 4.48Å; E292-L294 PolarHBondContact O-N 3.04Å
295	T	96.5	Very high	82.7	Confident	79 Å²	79	83.3 Å²	83.3	49%	0.485	46%	0.461	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-119.9	121.6	170.7	-55.6	0	0	0	0	108.6	T282 C283 H284	T282-T295 HydrophobicContact CG2-CG2 4.05Å; C283-T295 CarbonylContact O-C 3.52Å; C283-T295 WeakPolarHBondContact O-CA 3.43Å; H284-T295 PolarHBondContact CE1-OG1 3.13Å; H284-T295 PolarHBondContact ND1-OG1 3.01Å
296	L	95.7	Very high	80.8	Confident	36 Å²	36	88.3 Å²	88.3	19%	0.188	49%	0.487	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-121.3	128.4	-174.3	-59.1	162.3	0	0	0	109.7	T211 V213 T282 C283 M285	T211-L296 VanDerWaalsContact CB-CD1 3.48Å; T211-L296 HydrophobicContact CG2-CD1 4.1Å; V213-L296 HydrophobicContact CG2-CB 3.94Å; T282-L296 CarbonylContact C-O 3.58Å; T282-L296 WeakPolarHBondContact CA-O 3.07Å; C283-L296 HydrophobicContact CB-CB 4.3Å; C283-L296 PolarHBondContact N-O 3.46Å; C283-L296 PolarHBondContact O-N 2.95Å; M285-L296 HydrophobicContact CE-CD1 4.33Å
297	S	93.9	Very high	78.8	Confident	57 Å²	57	87.9 Å²	87.9	40%	0.399	49%	0.492	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-104.1	162.6	166.5	57.4	0	0	0	0	110	E299	S297-E299 PolarHBondContact O-N 2.89Å
298	W	94.4	Very high	77.2	Confident	47 Å²	47	93.4 Å²	93.4	18%	0.178	52%	0.521	C	S	.	.			trans	-71.3	126.9	169.2	169.5	61.1	0	0	0	110	V213 H215 L225 E278 Q279 P300	V213-W298 HydrophobicContact CB-CB 4.47Å; V213-W298 HydrophobicContact CG1-CB 3.84Å; H215-W298 HydrophobicContact CB-CD2 4.19Å; H215-W298 HydrophobicContact CB-CG 4.22Å; H215-W298 HydrophobicContact CB-CZ2 4.06Å; H215-W298 VanDerWaalsContact CB-NE1 3.28Å; H215-W298 AromaticContact CG-CE2 3.83Å; H215-W298 AromaticContact CG-CZ2 3.86Å; L225-W298 HydrophobicContact CD1-CB 4.32Å; L225-W298 HydrophobicContact CD2-CB 3.8Å; L225-W298 HydrophobicContact CD2-CD2 4.36Å; L225-W298 HydrophobicContact CD2-CG 3.92Å; E278-W298 HydrophobicContact CB-CD2 4.38Å; E278-W298 HydrophobicContact CB-CE3 3.39Å; E278-W298 HydrophobicContact CB-CZ3 3.78Å; E278-W298 HydrophobicContact CG-CE3 3.74Å; E278-W298 HydrophobicContact CG-CZ3 3.75Å; Q279-W298 PolarHBondContact NE2-O 3.21Å; W298-P300 HydrophobicContact CE3-CG 4.39Å; W298-P300 HydrophobicContact CH2-CB 4.27Å; W298-P300 HydrophobicContact CH2-CG 3.93Å; W298-P300 HydrophobicContact CZ2-CB 4.17Å; W298-P300 HydrophobicContact CZ2-CG 4.16Å; W298-P300 HydrophobicContact CZ3-CG 4.04Å
299	E	87.2	Confident	75.5	Confident	168 Å²	168	98 Å²	98	79%	0.785	54%	0.544	S	S	*	.			trans	-107.1	120.5	174.8	-146.2	168	-161.6	0	0	109.3	S297 S301	S297-E299 PolarHBondContact O-N 2.89Å; E299-S301 PolarHBondContact O-N 3.48Å
300	P	79.4	Confident	74.2	Confident	72 Å²	72	99.1 Å²	99.1	47%	0.468	56%	0.556	S	S	.	*			trans	-59.6	126.4	175.5	-21	31.2	0	0	0	109.6	W298 S302	W298-P300 HydrophobicContact CE3-CG 4.39Å; W298-P300 HydrophobicContact CH2-CB 4.27Å; W298-P300 HydrophobicContact CH2-CG 3.93Å; W298-P300 HydrophobicContact CZ2-CB 4.17Å; W298-P300 HydrophobicContact CZ2-CG 4.16Å; W298-P300 HydrophobicContact CZ3-CG 4.04Å; P300-S302 PolarHBondContact O-N 3.23Å
301	S	63.1	Low	73.2	Confident	99 Å²	99	102.9 Å²	102.9	69%	0.692	58%	0.575	S	S	*	*			trans	-50.5	106.2	177.1	138.1	0	0	0	0	110.1	E299 Q303	E299-S301 PolarHBondContact O-N 3.48Å; S301-Q303 PolarHBondContact O-N 3.38Å
302	S	48.5	Very low	72.5	Confident	112 Å²	112	97.5 Å²	97.5	78%	0.783	56%	0.556	S	S	*	*			trans	-79.9	65.5	168	52.4	0	0	0	0	108.5	P300 P304	P300-S302 PolarHBondContact O-N 3.23Å; S302-P304 WeakPolarHBondContact O-CD 3.43Å; S302-P304 VanDerWaalsContact O-N 3.13Å
303	Q	44.6	Very low	71.6	Confident	157 Å²	157	92.9 Å²	92.9	73%	0.734	54%	0.544	S	S	*	.			trans	-63.4	114.6	157	-83.2	-171.1	-15.3	0	0	105.7	S301 T305	S301-Q303 PolarHBondContact O-N 3.38Å; Q303-T305 PolarHBondContact O-N 2.85Å
304	P	44.4	Very low	70.9	Confident	106 Å²	106	91.6 Å²	91.6	69%	0.688	54%	0.542	S	S	*	.			trans	-61.2	113.8	167.4	26.3	-30.2	0	0	0	104.8	S302 I306	S302-P304 WeakPolarHBondContact O-CD 3.43Å; S302-P304 VanDerWaalsContact O-N 3.13Å; P304-I306 PolarHBondContact O-N 2.76Å
305	T	51.4	Low	70.4	Confident	135 Å²	135	93.6 Å²	93.6	83%	0.828	55%	0.552	S	S	*	*			trans	-62.8	83.5	161.9	-39.7	0	0	0	0	104.8	Q303 P307	Q303-T305 PolarHBondContact O-N 2.85Å; T305-P307 VanDerWaalsContact O-CD 3.29Å; T305-P307 WeakPolarHBondContact O-CD 3.45Å
306	I	55.7	Low	69.7	Low	105 Å²	105	92.3 Å²	92.3	54%	0.538	55%	0.55	S	S	.	.			trans	-49.8	119.2	166.8	-63.9	175.4	0	0	0	102.9	P304 I308 I311	P304-I306 PolarHBondContact O-N 2.76Å; I306-I308 PolarHBondContact O-N 2.93Å; I306-I311 HydrophobicContact CG2-CD1 3.95Å
307	P	55.6	Low	69.1	Low	86 Å²	86	94.8 Å²	94.8	56%	0.558	57%	0.566	S	S	*	*			trans	-72.3	81.4	-176.5	28.7	-32.7	0	0	0	106.7	T305 M309 G310 I311	T305-P307 VanDerWaalsContact O-CD 3.29Å; T305-P307 WeakPolarHBondContact O-CD 3.45Å; P307-M309 PolarHBondContact O-N 3.41Å; P307-M309 VanDerWaalsContact O-N 3.11Å; P307-G310 WeakPolarHBondContact O-CA 3.29Å; P307-G310 PolarHBondContact O-N 3.25Å; P307-I311 PolarHBondContact O-N 3.09Å
308	I	61	Low	68.6	Low	121 Å²	121	97.5 Å²	97.5	62%	0.621	58%	0.576	S	S	*	*	H	α-helix	trans	-53.8	-33.8	177	-66.3	169.9	0	0	0	108.3	I306 G310 I311 V312	I306-I308 PolarHBondContact O-N 2.93Å; I308-G310 PolarHBondContact O-N 3.07Å; I308-I311 PolarHBondContact O-N 3.24Å; I308-V312 HydrophobicContact CG2-CG2 4.27Å; I308-V312 WeakPolarHBondContact O-CB 3.1Å; I308-V312 VanDerWaalsContact O-CG2 3.23Å; I308-V312 WeakPolarHBondContact O-CG2 3.14Å; I308-V312 PolarHBondContact O-N 3.04Å
309	M	56.1	Low	68.1	Low	165 Å²	165	99.7 Å²	99.7	81%	0.813	59%	0.594	S	S	*	*	H	α-helix	trans	-63.2	-35.2	174	-165.6	154.6	62.5	0	0	113.9	P307 A313	P307-M309 PolarHBondContact O-N 3.41Å; P307-M309 VanDerWaalsContact O-N 3.11Å; M309-A313 VanDerWaalsContact O-CB 3.27Å; M309-A313 WeakPolarHBondContact O-CB 3.39Å; M309-A313 PolarHBondContact O-N 3.45Å
310	G	65.4	Low	67.9	Low	46 Å²	46	95.8 Å²	95.8	47%	0.474	58%	0.581	S	S	.	*	H	α-helix	trans	-71.4	-38	176.7	0	0	0	0	0	112.8	P307 I308 G314	P307-G310 WeakPolarHBondContact O-CA 3.29Å; P307-G310 PolarHBondContact O-N 3.25Å; I308-G310 PolarHBondContact O-N 3.07Å; G310-G314 PolarHBondContact O-N 3.48Å
311	I	73.3	Confident	68.1	Low	96 Å²	96	97.4 Å²	97.4	49%	0.492	59%	0.585	S	S	.	*	H	α-helix	trans	-69.6	-42.6	176.2	-61.3	174.3	0	0	0	110.5	I306 P307 I308 G314 L315	I306-I311 HydrophobicContact CG2-CD1 3.95Å; P307-I311 PolarHBondContact O-N 3.09Å; I308-I311 PolarHBondContact O-N 3.24Å; I311-G314 PolarHBondContact O-N 3.27Å; I311-L315 HydrophobicContact CG2-CD1 3.94Å; I311-L315 WeakPolarHBondContact O-CB 3.32Å; I311-L315 WeakPolarHBondContact O-CG 3.41Å; I311-L315 PolarHBondContact O-N 3.09Å
312	V	74.1	Confident	69	Low	90 Å²	90	95.8 Å²	95.8	55%	0.545	58%	0.578	S	S	.	*	H	α-helix	trans	-65.4	-43.2	177.2	173.1	0	0	0	0	111.3	I308 L315 A316	I308-V312 HydrophobicContact CG2-CG2 4.27Å; I308-V312 WeakPolarHBondContact O-CB 3.1Å; I308-V312 VanDerWaalsContact O-CG2 3.23Å; I308-V312 WeakPolarHBondContact O-CG2 3.14Å; I308-V312 PolarHBondContact O-N 3.04Å; V312-L315 PolarHBondContact O-N 2.85Å; V312-A316 WeakPolarHBondContact O-CB 3.36Å; V312-A316 PolarHBondContact O-N 3.18Å
313	A	74	Confident	70.6	Confident	54 Å²	54	94.5 Å²	94.5	45%	0.446	57%	0.565	S	S	.	*	H	α-helix	trans	-63.4	-43.3	175.1	0	0	0	0	0	111.9	M309 A316 V317	M309-A313 VanDerWaalsContact O-CB 3.27Å; M309-A313 WeakPolarHBondContact O-CB 3.39Å; M309-A313 PolarHBondContact O-N 3.45Å; A313-A316 PolarHBondContact O-N 3.45Å; A313-V317 WeakPolarHBondContact O-CG2 3.43Å; A313-V317 PolarHBondContact O-N 2.86Å
314	G	79.9	Confident	72.4	Confident	35 Å²	35	91.7 Å²	91.7	36%	0.361	56%	0.555	S	S	.	*	H	α-helix	trans	-62	-43.4	176.6	0	0	0	0	0	113.1	G310 I311 V317 L318	G310-G314 PolarHBondContact O-N 3.48Å; I311-G314 PolarHBondContact O-N 3.27Å; G314-V317 PolarHBondContact O-N 2.7Å; G314-L318 PolarHBondContact O-N 3.37Å
315	L	83.8	Confident	74	Confident	100 Å²	100	88.3 Å²	88.3	52%	0.524	54%	0.539	S	S	.	.	H	α-helix	trans	-66	-40.7	175.9	-77.2	167.7	0	0	0	112.2	I311 V312 V317 L318 V319	I311-L315 HydrophobicContact CG2-CD1 3.94Å; I311-L315 WeakPolarHBondContact O-CB 3.32Å; I311-L315 WeakPolarHBondContact O-CG 3.41Å; I311-L315 PolarHBondContact O-N 3.09Å; V312-L315 PolarHBondContact O-N 2.85Å; L315-V317 VanDerWaalsContact C-N 3.34Å; L315-V317 PolarHBondContact O-N 2.83Å; L315-L318 PolarHBondContact O-N 3.25Å; L315-V319 WeakPolarHBondContact O-CG2 3.34Å; L315-V319 PolarHBondContact O-N 3.09Å
316	A	81.3	Confident	75.3	Confident	52 Å²	52	84.7 Å²	84.7	43%	0.43	52%	0.523	S	S	.	.	H	α-helix	trans	-61.3	-42.8	176.4	0	0	0	0	0	111.7	V312 A313 V319 V320	V312-A316 WeakPolarHBondContact O-CB 3.36Å; V312-A316 PolarHBondContact O-N 3.18Å; A313-A316 PolarHBondContact O-N 3.45Å; A316-V319 PolarHBondContact O-N 3.5Å; A316-V320 VanDerWaalsContact O-CG2 3.31Å; A316-V320 WeakPolarHBondContact O-CG2 3.44Å; A316-V320 PolarHBondContact O-N 3.49Å
317	V	83.8	Confident	76.3	Confident	88 Å²	88	83.2 Å²	83.2	53%	0.533	52%	0.519	S	S	.	.	H	α-helix	trans	-63.7	-42.6	176.3	173	0	0	0	0	111.4	A313 G314 L315 V319 V320 L321	A313-V317 WeakPolarHBondContact O-CG2 3.43Å; A313-V317 PolarHBondContact O-N 2.86Å; G314-V317 PolarHBondContact O-N 2.7Å; L315-V317 VanDerWaalsContact C-N 3.34Å; L315-V317 PolarHBondContact O-N 2.83Å; V317-V319 PolarHBondContact O-N 3.04Å; V317-V320 PolarHBondContact O-N 2.94Å; V317-L321 HydrophobicContact CG1-CD1 3.99Å; V317-L321 HydrophobicContact CG1-CG 4.41Å; V317-L321 WeakPolarHBondContact O-CG 3.39Å; V317-L321 PolarHBondContact O-N 3.47Å
318	L	83.4	Confident	77.3	Confident	114 Å²	114	82.8 Å²	82.8	60%	0.597	51%	0.514	S	S	*	.	H	α-helix	trans	-62	-41.6	176.6	-82.8	165.9	0	0	0	112.6	G314 L315 L321 A322	G314-L318 PolarHBondContact O-N 3.37Å; L315-L318 PolarHBondContact O-N 3.25Å; L318-L321 PolarHBondContact O-N 3Å; L318-A322 WeakPolarHBondContact O-CB 3.22Å; L318-A322 PolarHBondContact O-N 3.37Å
319	V	83.7	Confident	77.9	Confident	92 Å²	92	81.1 Å²	81.1	56%	0.558	51%	0.51	S	S	*	.	H	α-helix	trans	-63.9	-44.2	175.9	172.4	0	0	0	0	110.8	L315 A316 V317 L321 A322 V323	L315-V319 WeakPolarHBondContact O-CG2 3.34Å; L315-V319 PolarHBondContact O-N 3.09Å; A316-V319 PolarHBondContact O-N 3.5Å; V317-V319 PolarHBondContact O-N 3.04Å; V319-L321 PolarHBondContact O-N 2.75Å; V319-A322 PolarHBondContact O-N 3.15Å; V319-V323 HydrophobicContact CG1-CG2 4.47Å; V319-V323 WeakPolarHBondContact O-CG2 3.26Å; V319-V323 PolarHBondContact O-N 2.86Å
320	V	83.9	Confident	78.6	Confident	86 Å²	86	75.9 Å²	75.9	52%	0.521	49%	0.493	S	S	.	.	H	α-helix	trans	-61.1	-44.6	177	171.6	0	0	0	0	111.1	A316 V317 A322 V323 L324	A316-V320 VanDerWaalsContact O-CG2 3.31Å; A316-V320 WeakPolarHBondContact O-CG2 3.44Å; A316-V320 PolarHBondContact O-N 3.49Å; V317-V320 PolarHBondContact O-N 2.94Å; V320-A322 PolarHBondContact O-N 3.39Å; V320-V323 PolarHBondContact O-N 3.44Å; V320-L324 HydrophobicContact CG1-CD1 3.93Å; V320-L324 HydrophobicContact CG1-CG 4.44Å; V320-L324 WeakPolarHBondContact O-CB 3.35Å; V320-L324 VanDerWaalsContact O-CG 3.31Å; V320-L324 WeakPolarHBondContact O-CG 3.44Å; V320-L324 PolarHBondContact O-N 3.42Å
321	L	83.8	Confident	78.8	Confident	106 Å²	106	79.6 Å²	79.6	56%	0.555	50%	0.499	S	S	*	.	H	α-helix	trans	-63.7	-39.9	177.1	-72.1	172	0	0	0	112.3	V317 L318 V319 L324 G325	V317-L321 HydrophobicContact CG1-CD1 3.99Å; V317-L321 HydrophobicContact CG1-CG 4.41Å; V317-L321 WeakPolarHBondContact O-CG 3.39Å; V317-L321 PolarHBondContact O-N 3.47Å; L318-L321 PolarHBondContact O-N 3Å; V319-L321 PolarHBondContact O-N 2.75Å; L321-L324 PolarHBondContact O-N 3.1Å; L321-G325 PolarHBondContact O-N 3Å
322	A	81.8	Confident	78.5	Confident	66 Å²	66	81.3 Å²	81.3	55%	0.545	51%	0.507	S	S	.	.	H	α-helix	trans	-64.8	-42.1	176.3	0	0	0	0	0	111.9	L318 V319 V320 G325 A326	L318-A322 WeakPolarHBondContact O-CB 3.22Å; L318-A322 PolarHBondContact O-N 3.37Å; V319-A322 PolarHBondContact O-N 3.15Å; V320-A322 PolarHBondContact O-N 3.39Å; A322-G325 PolarHBondContact O-N 3.32Å; A322-A326 WeakPolarHBondContact O-CB 3.47Å; A322-A326 PolarHBondContact O-N 2.99Å
323	V	82.4	Confident	77.8	Confident	84 Å²	84	80.8 Å²	80.8	51%	0.509	51%	0.506	S	S	.	.	H	α-helix	trans	-64.6	-45.3	176.1	173.2	0	0	0	0	110.8	V319 V320 G325 A326 V327	V319-V323 HydrophobicContact CG1-CG2 4.47Å; V319-V323 WeakPolarHBondContact O-CG2 3.26Å; V319-V323 PolarHBondContact O-N 2.86Å; V320-V323 PolarHBondContact O-N 3.44Å; V323-G325 PolarHBondContact O-N 3.31Å; V323-A326 PolarHBondContact O-N 3.15Å; V323-V327 HydrophobicContact CG1-CG2 4.43Å; V323-V327 VanDerWaalsContact O-CG2 3.29Å; V323-V327 WeakPolarHBondContact O-CG2 3.17Å; V323-V327 PolarHBondContact O-N 3.14Å
324	L	81.1	Confident	77.1	Confident	99 Å²	99	88.1 Å²	88.1	52%	0.518	52%	0.522	S	S	.	.	H	α-helix	trans	-61.8	-43.1	176.1	-71.2	171.4	0	0	0	111.6	V320 L321 A326 V327 V328	V320-L324 HydrophobicContact CG1-CD1 3.93Å; V320-L324 HydrophobicContact CG1-CG 4.44Å; V320-L324 WeakPolarHBondContact O-CB 3.35Å; V320-L324 VanDerWaalsContact O-CG 3.31Å; V320-L324 WeakPolarHBondContact O-CG 3.44Å; V320-L324 PolarHBondContact O-N 3.42Å; L321-L324 PolarHBondContact O-N 3.1Å; L324-A326 PolarHBondContact O-N 3.05Å; L324-V327 PolarHBondContact O-N 3.46Å; L324-V328 VanDerWaalsContact O-CG2 3.3Å; L324-V328 WeakPolarHBondContact O-CG2 3.49Å; L324-V328 PolarHBondContact O-N 3.08Å
325	G	79	Confident	76	Confident	34 Å²	34	96.9 Å²	96.9	35%	0.351	55%	0.545	S	S	.	.	H	α-helix	trans	-60.5	-42.4	174.6	0	0	0	0	0	112.8	L321 A322 V323 V328 T329	L321-G325 PolarHBondContact O-N 3Å; A322-G325 PolarHBondContact O-N 3.32Å; V323-G325 PolarHBondContact O-N 3.31Å; G325-V328 PolarHBondContact O-N 2.91Å; G325-T329 WeakPolarHBondContact O-CB 3.31Å; G325-T329 PolarHBondContact O-N 3.39Å; G325-T329 PolarHBondContact O-OG1 3.06Å
326	A	78.1	Confident	74.3	Confident	60 Å²	60	101.1 Å²	101.1	50%	0.496	56%	0.559	S	S	.	*	H	α-helix	trans	-65.3	-41.4	175.7	0	0	0	0	0	112.2	A322 V323 L324 T329 A330	A322-A326 WeakPolarHBondContact O-CB 3.47Å; A322-A326 PolarHBondContact O-N 2.99Å; V323-A326 PolarHBondContact O-N 3.15Å; L324-A326 PolarHBondContact O-N 3.05Å; A326-T329 PolarHBondContact O-N 2.87Å; A326-A330 VanDerWaalsContact O-CB 3.3Å; A326-A330 WeakPolarHBondContact O-CB 3.42Å; A326-A330 PolarHBondContact O-N 3.34Å
327	V	77.8	Confident	72.9	Confident	74 Å²	74	103.1 Å²	103.1	45%	0.448	57%	0.57	S	S	.	*	H	α-helix	trans	-64.9	-44.4	176.8	171.6	0	0	0	0	111.1	V323 L324 A330 M331	V323-V327 HydrophobicContact CG1-CG2 4.43Å; V323-V327 VanDerWaalsContact O-CG2 3.29Å; V323-V327 WeakPolarHBondContact O-CG2 3.17Å; V323-V327 PolarHBondContact O-N 3.14Å; L324-V327 PolarHBondContact O-N 3.46Å; V327-A330 PolarHBondContact O-N 3.04Å; V327-M331 HydrophobicContact CG1-CG 4.44Å; V327-M331 WeakPolarHBondContact O-CB 3.47Å; V327-M331 VanDerWaalsContact O-CG 3.32Å; V327-M331 WeakPolarHBondContact O-CG 3.38Å; V327-M331 PolarHBondContact O-N 3.23Å
328	V	76.6	Confident	71.3	Confident	77 Å²	77	104.1 Å²	104.1	47%	0.467	58%	0.581	S	S	.	*	H	α-helix	trans	-62	-44.8	176.2	171.6	0	0	0	0	110.7	L324 G325 A330 M331 M332	L324-V328 VanDerWaalsContact O-CG2 3.3Å; L324-V328 WeakPolarHBondContact O-CG2 3.49Å; L324-V328 PolarHBondContact O-N 3.08Å; G325-V328 PolarHBondContact O-N 2.91Å; V328-A330 PolarHBondContact O-N 3.34Å; V328-M331 PolarHBondContact O-N 2.96Å; V328-M332 HydrophobicContact CG1-SD 4.23Å; V328-M332 WeakPolarHBondContact O-CG 3.35Å; V328-M332 PolarHBondContact O-N 2.72Å
329	T	71.9	Confident	69.1	Low	86 Å²	86	102 Å²	102	53%	0.528	59%	0.586	S	S	.	*	H	α-helix	trans	-62.1	-45	177.4	-53.9	0	0	0	0	111.3	G325 A326 M331 M332 C333	G325-T329 WeakPolarHBondContact O-CB 3.31Å; G325-T329 PolarHBondContact O-N 3.39Å; G325-T329 PolarHBondContact O-OG1 3.06Å; A326-T329 PolarHBondContact O-N 2.87Å; T329-M331 PolarHBondContact O-N 3.14Å; T329-M332 PolarHBondContact O-N 3.27Å; T329-C333 WeakPolarHBondContact O-CB 3.18Å; T329-C333 PolarHBondContact O-N 2.9Å; T329-C333 PolarHBondContact O-SG 3.22Å; T329-C333 VanDerWaalsContact O-SG 3.41Å
330	A	71.2	Confident	67	Low	54 Å²	54	101.4 Å²	101.4	45%	0.446	60%	0.599	S	S	.	*	H	α-helix	trans	-64.5	-38.4	176.4	0	0	0	0	0	112.5	A326 V327 V328 C333 R334	A326-A330 VanDerWaalsContact O-CB 3.3Å; A326-A330 WeakPolarHBondContact O-CB 3.42Å; A326-A330 PolarHBondContact O-N 3.34Å; V327-A330 PolarHBondContact O-N 3.04Å; V328-A330 PolarHBondContact O-N 3.34Å; A330-C333 PolarHBondContact O-N 3.41Å; A330-R334 WeakPolarHBondContact O-CB 3.37Å; A330-R334 PolarHBondContact O-N 2.86Å
331	M	69.3	Low	64.5	Low	125 Å²	125	107.9 Å²	107.9	62%	0.616	62%	0.62	S	S	*	*	H	α-helix	trans	-67.5	-38.2	174.9	-74.2	-141.5	-66.9	0	0	112.2	V327 V328 T329 R334 R335	V327-M331 HydrophobicContact CG1-CG 4.44Å; V327-M331 WeakPolarHBondContact O-CB 3.47Å; V327-M331 VanDerWaalsContact O-CG 3.32Å; V327-M331 WeakPolarHBondContact O-CG 3.38Å; V327-M331 PolarHBondContact O-N 3.23Å; V328-M331 PolarHBondContact O-N 2.96Å; T329-M331 PolarHBondContact O-N 3.14Å; M331-R334 PolarHBondContact O-N 3.44Å; M331-R335 WeakPolarHBondContact O-CB 3.23Å; M331-R335 PolarHBondContact O-N 2.74Å
332	M	68.1	Low	62.1	Low	131 Å²	131	106.6 Å²	106.6	65%	0.645	63%	0.633	S	S	*	*	H	α-helix	trans	-67.4	-39.2	173.8	-69.8	-176.7	82.1	0	0	111.8	V328 T329 R335 K336	V328-M332 HydrophobicContact CG1-SD 4.23Å; V328-M332 WeakPolarHBondContact O-CG 3.35Å; V328-M332 PolarHBondContact O-N 2.72Å; T329-M332 PolarHBondContact O-N 3.27Å; M332-R335 PolarHBondContact O-N 3.33Å; M332-K336 WeakPolarHBondContact O-CB 3.38Å; M332-K336 PolarHBondContact O-N 3.07Å
333	C	59.8	Low	59.6	Low	80 Å²	80	107.3 Å²	107.3	54%	0.541	65%	0.646	S	S	.	*	H	α-helix	trans	-65.1	-36.8	172.4	-73.7	0	0	0	0	112.5	T329 A330 K336 S337	T329-C333 WeakPolarHBondContact O-CB 3.18Å; T329-C333 PolarHBondContact O-N 2.9Å; T329-C333 PolarHBondContact O-SG 3.22Å; T329-C333 VanDerWaalsContact O-SG 3.41Å; A330-C333 PolarHBondContact O-N 3.41Å; C333-K336 PolarHBondContact O-N 3.21Å; C333-S337 PolarHBondContact O-N 3.06Å; C333-S337 PolarHBondContact O-OG 3.29Å
334	R	58.3	Low	57.3	Low	207 Å²	207	109 Å²	109	78%	0.781	66%	0.661	S	S	*	*	H	α-helix	trans	-71.5	-34.2	173.6	-83.4	-171.3	163.2	-177.1	-3.2	113.1	A330 M331 K336 S337	A330-R334 WeakPolarHBondContact O-CB 3.37Å; A330-R334 PolarHBondContact O-N 2.86Å; M331-R334 PolarHBondContact O-N 3.44Å; R334-K336 VanDerWaalsContact C-N 3.31Å; R334-S337 WeakPolarHBondContact CA-OG 3.46Å; R334-S337 PolarHBondContact O-OG 2.8Å
335	R	55.9	Low	54.8	Low	220 Å²	220	109.4 Å²	109.4	83%	0.83	67%	0.672	S	S	*	*	H	α-helix	trans	-69.9	-28.5	173	-120.5	178.5	178	175.3	-0.6	112.6	M331 M332	M331-R335 WeakPolarHBondContact O-CB 3.23Å; M331-R335 PolarHBondContact O-N 2.74Å; M332-R335 PolarHBondContact O-N 3.33Å
336	K	49.6	Very low	52.6	Low	188 Å²	188	113.2 Å²	113.2	82%	0.817	69%	0.693	S	S	*	*	T	Hydrogen-bonded Turn	trans	-86.1	-6.7	179.8	-160.5	165.3	-179.4	176.8	0	114.1	M332 C333 R334	M332-K336 WeakPolarHBondContact O-CB 3.38Å; M332-K336 PolarHBondContact O-N 3.07Å; C333-K336 PolarHBondContact O-N 3.21Å; R334-K336 VanDerWaalsContact C-N 3.31Å
337	S	52	Low	50.5	Low	95 Å²	95	119.5 Å²	119.5	66%	0.664	71%	0.712	S	S	*	*	T	Hydrogen-bonded Turn	trans	-105.2	5.9	-179.4	40.4	0	0	0	0	115	C333 R334	C333-S337 PolarHBondContact O-N 3.06Å; C333-S337 PolarHBondContact O-OG 3.29Å; R334-S337 WeakPolarHBondContact CA-OG 3.46Å; R334-S337 PolarHBondContact O-OG 2.8Å
338	S	48.8	Very low	48.2	Very low	109 Å²	109	120.7 Å²	120.7	76%	0.762	73%	0.729	S	S	*	*	S	Bend	trans	-107.6	27.8	176.3	88.8	0	0	0	0	115.2
339	G	39	Very low	46	Very low	68 Å²	68	121.5 Å²	121.5	70%	0.701	74%	0.744	S	S	*	*	S	Bend	trans	-145.7	100.6	173.6	0	0	0	0	0	109.9
340	G	38.6	Very low	44.1	Very low	81 Å²	81	123.8 Å²	123.8	84%	0.835	76%	0.762	S	S	*	*			trans	-87.1	168.9	-169.3	0	0	0	0	0	116.2
341	K	32.2	Very low	42.3	Very low	221 Å²	221	126.7 Å²	126.7	96%	0.961	78%	0.78	S	S	*	*			trans	101.7	118.1	142.8	-142	157.8	-173.9	171.1	0	117.8
342	G	31.7	Very low	40.6	Very low	80 Å²	80	128.9 Å²	128.9	83%	0.825	79%	0.793	S	S	*	*			trans	134.4	114.6	142.5	0	0	0	0	0	117.2
343	G	30.3	Very low	39.2	Very low	80 Å²	80	128.6 Å²	128.6	83%	0.825	81%	0.805	S	S	*	*			trans	107.9	101.4	135.8	0	0	0	0	0	119.6
344	S	34.6	Very low	38	Very low	119 Å²	119	129.2 Å²	129.2	83%	0.832	82%	0.816	S	S	*	*			trans	-57.9	160	152.3	-176	0	0	0	0	110.7
345	C	29	Very low	37	Very low	109 Å²	109	129.2 Å²	129.2	74%	0.736	82%	0.824	S	S	*	*			cis	-161.3	151.6	31.5	-156.4	0	0	0	0	106.6
346	S	32.8	Very low	35.7	Very low	114 Å²	114	122 Å²	122	80%	0.797	82%	0.818	S	S	*	*				176.7	128.6	95.8	-56.2	0	0	0	0	111.8
347	Q	34.2	Very low	35.2	Very low	192 Å²	192	118.9 Å²	118.9	90%	0.897	82%	0.82	S	S	*	*			trans	9.4	148.1	144.2	-141.7	165.4	-1.7	0	0	125
348	A	28.3	Very low	34.4	Very low	98 Å²	98	122.6 Å²	122.6	81%	0.81	83%	0.833	S	S	*	*			trans	80.6	136.3	157.3	0	0	0	0	0	116.8
349	A	31.1	Very low	33.6	Very low	94 Å²	94	126.1 Å²	126.1	78%	0.777	84%	0.837	S	S	*	*			cis	-153	142.1	27	0	0	0	0	0	112.8
350	C	31.4	Very low	33.4	Very low	134 Å²	134	127.9 Å²	127.9	91%	0.905	84%	0.839	S	S	*	*			trans	-81.5	140.5	161.7	-68.5	0	0	0	0	110
351	S	33.7	Very low	33.2	Very low	116 Å²	116	131.7 Å²	131.7	81%	0.811	84%	0.839	S	S	*	*			trans	-147.9	104.3	152.3	23.2	0	0	0	0	109.8
352	N	33.6	Very low	33.3	Very low	170 Å²	170	129 Å²	129	91%	0.909	83%	0.833	S	S	*	*			trans	-76.8	140	157.3	-83.1	-24.4	0	0	0	108.6
353	S	38	Very low	33.6	Very low	126 Å²	126	130.9 Å²	130.9	88%	0.881	83%	0.829	S	S	*	*			trans	-139.8	105.3	153.8	25.1	0	0	0	0	108.4
354	A	35.4	Very low	33.5	Very low	93 Å²	93	133.6 Å²	133.6	77%	0.769	83%	0.834	S	S	*	*			trans	-113.4	128.6	157.4	0	0	0	0	0	106.1
355	Q	36.4	Very low	33.4	Very low	206 Å²	206	137.9 Å²	137.9	96%	0.963	84%	0.838	S	S	*	*			trans	-175.7	133.2	131.7	-116.6	169.1	-10.8	0	0	113.5
356	G	29.8	Very low	33.7	Very low	68 Å²	68	141 Å²	141	70%	0.701	87%	0.871	S	S	*	*			trans	132.8	123.9	146.3	0	0	0	0	0	112
357	S	37.9	Very low	33.7	Very low	124 Å²	124	142.4 Å²	142.4	87%	0.867	88%	0.875	S	S	*	*			cis	-162.3	138.9	-10.2	-56.8	0	0	0	0	104.7
358	D	35.3	Very low	33.7	Very low	172 Å²	172	139.7 Å²	139.7	92%	0.92	87%	0.874	S	S	*	*			trans	-88	135.1	168.1	-98.9	-32.8	0	0	0	109.5
359	E	33.5	Very low	34	Very low	183 Å²	183	142.1 Å²	142.1	86%	0.855	88%	0.877	S	S	*	*			trans	-152.6	121.3	153.6	-142.8	178.7	163.2	0	0	113.6
360	S	33.7	Very low	34.2	Very low	106 Å²	106	144.9 Å²	144.9	74%	0.741	88%	0.883	S	S	*	*			trans	78.9	107.1	146.9	69.9	0	0	0	0	122.4
361	L	34.5	Very low	34.3	Very low	160 Å²	160	145.6 Å²	145.6	84%	0.838	88%	0.882	S	S	*	*			trans	-56	139.1	140.5	-85.9	142.8	0	0	0	112.2
362	I	33.8	Very low	34.4	Very low	164 Å²	164	147.5 Å²	147.5	84%	0.841	89%	0.887	S	S	*	*			trans	-145	120.7	138.1	-61.8	-172.7	0	0	0	109.4
363	T	38.3	Very low	34.4	Very low	121 Å²	121	145.9 Å²	145.9	74%	0.742	89%	0.885	S	S	*	*			trans	-95.5	141.8	154.9	41.9	0	0	0	0	109.5
364	C	27.2	Very low	34.2	Very low	136 Å²	136	147.5 Å²	147.5	92%	0.919	89%	0.885	S	S	*	*			trans	-155.7	141.6	146.8	-110.5	0	0	0	0	112
365	K	32.6	Very low	34.1	Very low	209 Å²	209	152 Å²	152	91%	0.909	90%	0.895	S	S	*	*			trans	-91.6	147.2	173.6	-122.3	179.2	179.2	178.8	0	109.1
366	A	35.8	Very low	33.8	Very low	175 Å²	175	147.1 Å²	147.1	100%	1.446	89%	0.889	S	S	*	*			trans	-158	0	130.7	0	0	0	0	0	107.5

Retrieved 366 of 366 residues in 182.5 ms (Link to these results)

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