F6IQV9_HUMAN Loading...

MHC class I antigen

AlphaFold DB , UniProt , Accession F6IQV9, Species HUMAN (Homo sapiens, Human), Gene HLA-A, Length 337 aa.

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(Predicted Aligned Error values between residue pairs)

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Site	Residue	pLDDT	pLDDT confidence	pLDDT₁₀	pLDDT10 confidence	SASA	SASA [Å²]	SASA₁₀	SASA10 [Å²]	RSA	RSA unformatted	RSA₁₀	RSA10 unformatted	Surface	Surface10 (not used)	Disorder (not used)	Disorder	Sec. str.	Secondary structure	Isomer	Phi (φ)	Psi (ψ)	Omega (ω)	Chi 1 (χ₁)	Chi 2 (χ₂)	Chi 3 (χ₃)	Chi 4 (χ₄)	Chi 5 (χ₅)	Tau (τ)	Contacts (colored by PAE)	Contact details
1	M	33.4	Very low	39.7	Very low	239 Å²	239	131.5 Å²	131.5	100%	1.177	72%	0.722	S	S	*	*				0	94.1	0	-86.3	175.7	-84.6	0	0	108
2	A	33.2	Very low	40	Very low	102 Å²	102	131.5 Å²	131.5	84%	0.843	72%	0.719	S	S	*	*			trans	-98.4	107.5	169.3	0	0	0	0	0	106.4	M4	A2-M4 PolarHBondContact O-N 3.26Å
3	V	35.8	Very low	39.9	Very low	142 Å²	142	129.2 Å²	129.2	86%	0.861	71%	0.705	S	S	*	*			trans	-75.2	104.3	175.2	178.6	0	0	0	0	106.6	A5	V3-A5 PolarHBondContact O-N 3.17Å
4	M	37.4	Very low	40	Very low	169 Å²	169	124.3 Å²	124.3	83%	0.833	69%	0.685	S	S	*	*			trans	-74.7	107.1	176	-153.2	167.6	79.7	0	0	107.4	A2	A2-M4 PolarHBondContact O-N 3.26Å
5	A	39.4	Very low	40.1	Very low	61 Å²	61	118.3 Å²	118.3	50%	0.504	66%	0.662	S	S	.	*			trans	-60.6	145.7	174.5	0	0	0	0	0	110.2	V3 R7	V3-A5 PolarHBondContact O-N 3.17Å; A5-R7 PolarHBondContact O-N 3.23Å
6	P	40.3	Very low	40.2	Very low	78 Å²	78	114 Å²	114	51%	0.506	65%	0.647	S	S	.	*			trans	-66.7	122.9	-176.1	-7.5	22.5	0	0	0	109.4	T8 L9	P6-T8 PolarHBondContact O-N 3.4Å; P6-L9 PolarHBondContact O-N 3.45Å
7	R	44.3	Very low	40.1	Very low	207 Å²	207	113.5 Å²	113.5	78%	0.781	64%	0.641	S	S	*	*	H	α-helix	trans	-54.7	-22.1	178.4	-85.3	178.1	161.3	146.4	-5.1	113.8	A5 L11	A5-R7 PolarHBondContact O-N 3.23Å; R7-L11 PolarHBondContact O-N 2.97Å
8	T	46.9	Very low	39.9	Very low	99 Å²	99	110.3 Å²	110.3	61%	0.607	63%	0.631	S	S	*	*	H	α-helix	trans	-70.6	-34	175	32.2	0	0	0	0	113.5	P6 L11 L12	P6-T8 PolarHBondContact O-N 3.4Å; T8-L11 PolarHBondContact O-N 3.49Å; T8-L12 PolarHBondContact O-N 3.02Å
9	L	40.8	Very low	39.8	Very low	108 Å²	108	109 Å²	109	57%	0.565	62%	0.622	S	S	*	*	H	α-helix	trans	-71.7	-35.4	178.6	-142	91.7	0	0	0	111.5	P6 L13	P6-L9 PolarHBondContact O-N 3.45Å; L9-L13 WeakPolarHBondContact O-CD1 3.45Å; L9-L13 PolarHBondContact O-N 2.91Å
10	L	39.4	Very low	39.8	Very low	119 Å²	119	107.6 Å²	107.6	62%	0.623	62%	0.615	S	S	*	*	H	α-helix	trans	-65.8	-39	176.1	-106.6	98.2	0	0	0	112.1	L13 S14	L10-L13 PolarHBondContact O-N 2.85Å; L10-S14 PolarHBondContact O-N 2.98Å; L10-S14 PolarHBondContact O-OG 3.24Å
11	L	46.2	Very low	39.7	Very low	122 Å²	122	110.5 Å²	110.5	64%	0.639	62%	0.623	S	S	*	*	H	α-helix	trans	-67.8	-41.5	-178.3	-78.7	163.3	0	0	0	112.7	R7 T8 S14 G15	R7-L11 PolarHBondContact O-N 2.97Å; T8-L11 PolarHBondContact O-N 3.49Å; L11-S14 VanDerWaalsContact CA-OG 3.29Å; L11-S14 WeakPolarHBondContact CA-OG 3.29Å; L11-S14 PolarHBondContact O-N 3.48Å; L11-S14 PolarHBondContact O-OG 2.98Å; L11-G15 PolarHBondContact O-N 2.63Å
12	L	43	Very low	40.3	Very low	132 Å²	132	103.6 Å²	103.6	69%	0.691	60%	0.595	S	S	*	*	H	α-helix	trans	-66.6	-39.7	176.2	-74.4	165	0	0	0	112.1	T8 G15 A16	T8-L12 PolarHBondContact O-N 3.02Å; L12-G15 PolarHBondContact O-N 2.88Å; L12-A16 PolarHBondContact O-N 3.02Å
13	L	38	Very low	41	Very low	101 Å²	101	100.7 Å²	100.7	53%	0.529	56%	0.562	S	S	.	*	H	α-helix	trans	-66.3	-37.7	174.3	-80.3	160.4	0	0	0	112.1	L9 L10 L17	L9-L13 WeakPolarHBondContact O-CD1 3.45Å; L9-L13 PolarHBondContact O-N 2.91Å; L10-L13 PolarHBondContact O-N 2.85Å; L13-L17 VanDerWaalsContact O-CB 3.24Å; L13-L17 WeakPolarHBondContact O-CB 3.5Å; L13-L17 WeakPolarHBondContact O-CD1 3.5Å; L13-L17 VanDerWaalsContact O-CG 3.32Å; L13-L17 WeakPolarHBondContact O-CG 3.33Å; L13-L17 PolarHBondContact O-N 3.36Å
14	S	41.2	Very low	42	Very low	61 Å²	61	97.1 Å²	97.1	43%	0.427	55%	0.548	S	S	.	.	H	α-helix	trans	-71.5	-30.6	174.9	42.3	0	0	0	0	113.7	L10 L11 A18	L10-S14 PolarHBondContact O-N 2.98Å; L10-S14 PolarHBondContact O-OG 3.24Å; L11-S14 VanDerWaalsContact CA-OG 3.29Å; L11-S14 WeakPolarHBondContact CA-OG 3.29Å; L11-S14 PolarHBondContact O-N 3.48Å; L11-S14 PolarHBondContact O-OG 2.98Å; S14-A18 WeakPolarHBondContact O-CB 3.47Å; S14-A18 PolarHBondContact O-N 2.97Å
15	G	41.9	Very low	43.9	Very low	34 Å²	34	90.1 Å²	90.1	35%	0.351	52%	0.519	S	S	.	.	H	α-helix	trans	-67.9	-46.3	172.4	0	0	0	0	0	112.2	L11 L12 A18 L19	L11-G15 PolarHBondContact O-N 2.63Å; L12-G15 PolarHBondContact O-N 2.88Å; G15-A18 PolarHBondContact O-N 2.69Å; G15-L19 PolarHBondContact O-N 3.02Å
16	A	42.2	Very low	46.4	Very low	50 Å²	50	90 Å²	90	41%	0.413	51%	0.514	S	S	.	.	H	α-helix	trans	-65.8	-40.4	176	0	0	0	0	0	112.4	L12 T20	L12-A16 PolarHBondContact O-N 3.02Å; A16-T20 WeakPolarHBondContact O-CG2 3.32Å; A16-T20 PolarHBondContact O-N 2.92Å; A16-T20 PolarHBondContact O-OG1 2.9Å
17	L	37.8	Very low	49	Very low	106 Å²	106	87.8 Å²	87.8	56%	0.555	50%	0.497	S	S	*	.	H	α-helix	trans	-67.7	-42	176.2	-80.1	161.9	0	0	0	112.1	L13 L19 T20 Q21	L13-L17 VanDerWaalsContact O-CB 3.24Å; L13-L17 WeakPolarHBondContact O-CB 3.5Å; L13-L17 WeakPolarHBondContact O-CD1 3.5Å; L13-L17 VanDerWaalsContact O-CG 3.32Å; L13-L17 WeakPolarHBondContact O-CG 3.33Å; L13-L17 PolarHBondContact O-N 3.36Å; L17-L19 VanDerWaalsContact C-N 3.33Å; L17-L19 PolarHBondContact O-N 2.77Å; L17-T20 WeakPolarHBondContact CA-OG1 3.39Å; L17-T20 PolarHBondContact O-N 3.49Å; L17-T20 PolarHBondContact O-OG1 3.05Å; L17-Q21 WeakPolarHBondContact O-CB 3.24Å; L17-Q21 PolarHBondContact O-N 3.07Å
18	A	37.6	Very low	51.6	Low	55 Å²	55	79.1 Å²	79.1	46%	0.455	47%	0.468	S	S	.	.	H	α-helix	trans	-62.2	-40.5	177	0	0	0	0	0	111.8	S14 G15 Q21 T22	S14-A18 WeakPolarHBondContact O-CB 3.47Å; S14-A18 PolarHBondContact O-N 2.97Å; G15-A18 PolarHBondContact O-N 2.69Å; A18-Q21 PolarHBondContact O-N 3.39Å; A18-T22 WeakPolarHBondContact O-CG2 3.42Å; A18-T22 PolarHBondContact O-N 3.03Å
19	L	38	Very low	54	Low	86 Å²	86	74.4 Å²	74.4	45%	0.45	44%	0.439	S	S	.	.	H	α-helix	trans	-67.4	-41.2	173.3	-92	139.5	0	0	0	112	G15 L17 Q21 T22 W23	G15-L19 PolarHBondContact O-N 3.02Å; L17-L19 VanDerWaalsContact C-N 3.33Å; L17-L19 PolarHBondContact O-N 2.77Å; L19-Q21 VanDerWaalsContact C-N 3.25Å; L19-Q21 PolarHBondContact O-N 3.17Å; L19-T22 PolarHBondContact O-N 3.48Å; L19-T22 PolarHBondContact O-OG1 2.67Å; L19-W23 PolarHBondContact O-NE1 3.48Å
20	T	38.8	Very low	56.8	Low	80 Å²	80	71.7 Å²	71.7	49%	0.491	42%	0.421	S	S	.	.	H	α-helix	trans	-66.9	-26.3	176.4	53.9	0	0	0	0	113.7	A16 L17	A16-T20 WeakPolarHBondContact O-CG2 3.32Å; A16-T20 PolarHBondContact O-N 2.92Å; A16-T20 PolarHBondContact O-OG1 2.9Å; L17-T20 WeakPolarHBondContact CA-OG1 3.39Å; L17-T20 PolarHBondContact O-N 3.49Å; L17-T20 PolarHBondContact O-OG1 3.05Å
21	Q	37.4	Very low	59.6	Low	169 Å²	169	66.3 Å²	66.3	79%	0.79	39%	0.393	S	S	*	.	H	α-helix	trans	-80.6	-18.2	-176.4	-139.3	170.3	11.7	0	0	113.3	L17 A18 L19	L17-Q21 WeakPolarHBondContact O-CB 3.24Å; L17-Q21 PolarHBondContact O-N 3.07Å; A18-Q21 PolarHBondContact O-N 3.39Å; L19-Q21 VanDerWaalsContact C-N 3.25Å; L19-Q21 PolarHBondContact O-N 3.17Å
22	T	45.7	Very low	62.1	Low	95 Å²	95	64.5 Å²	64.5	58%	0.583	38%	0.38	S	S	*	.	T	Hydrogen-bonded Turn	trans	-88.9	-8.8	-178.9	54.3	0	0	0	0	114.4	A18 L19	A18-T22 WeakPolarHBondContact O-CG2 3.42Å; A18-T22 PolarHBondContact O-N 3.03Å; L19-T22 PolarHBondContact O-N 3.48Å; L19-T22 PolarHBondContact O-OG1 2.67Å
23	W	48.7	Very low	64.8	Low	41 Å²	41	58.6 Å²	58.6	16%	0.155	35%	0.349	C	S	.	.	T	Hydrogen-bonded Turn	trans	-97.6	-32.6	-169.4	-69.5	51	0	0	0	113.2	L19 G25 E236 E288	L19-W23 PolarHBondContact O-NE1 3.48Å; W23-G25 PolarHBondContact O-N 3.3Å; W23-G25 VanDerWaalsContact O-N 3.08Å; W23-E236 HydrophobicContact CD2-CG 4.46Å; W23-E236 HydrophobicContact CE3-CB 4.45Å; W23-E236 HydrophobicContact CE3-CG 4.05Å; W23-E236 HydrophobicContact CH2-CB 4.25Å; W23-E236 HydrophobicContact CH2-CG 3.42Å; W23-E236 VanDerWaalsContact CH2-CG 3.42Å; W23-E236 HydrophobicContact CZ2-CG 3.79Å; W23-E236 HydrophobicContact CZ3-CB 3.94Å; W23-E236 HydrophobicContact CZ3-CG 3.54Å; W23-E236 VanDerWaalsContact CZ3-O 3.29Å; W23-E236 WeakPolarHBondContact CZ3-O 3.36Å; W23-E288 HydrophobicContact CE3-CB 4.36Å
24	A	56.3	Low	67.7	Low	67 Å²	67	56 Å²	56	55%	0.554	34%	0.337	S	S	*	.	S	Bend	trans	-77.3	103.6	-173.9	0	0	0	0	0	111.5	P129	A24-P129 WeakPolarHBondContact O-CG 3.39Å
25	G	77.1	Confident	70.4	Confident	22 Å²	22	53.2 Å²	53.2	23%	0.227	32%	0.317	C	S	.	.	S	Bend	trans	90.3	12.9	157.3	0	0	0	0	0	118	W23 G128 P129	W23-G25 PolarHBondContact O-N 3.3Å; W23-G25 VanDerWaalsContact O-N 3.08Å; G25-G128 CarbonylContact O-C 3.59Å; G25-P129 WeakPolarHBondContact O-CA 3.35Å
26	S	91.9	Very high	73.1	Confident	59 Å²	59	54.1 Å²	54.1	41%	0.413	32%	0.316	S	S	.	.			trans	-83	144.4	164.6	59.7	0	0	0	0	110.6	V127	S26-V127 CarbonylContact C-O 3.51Å; S26-V127 VanDerWaalsContact CA-O 3.3Å; S26-V127 WeakPolarHBondContact CA-O 3.14Å; S26-V127 WeakPolarHBondContact CB-O 3.23Å
27	H	96.1	Very high	75.8	Confident	31 Å²	31	52.6 Å²	52.6	14%	0.144	30%	0.302	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-130.6	156.3	178.8	-66.1	-78.5	0	0	0	111	D53 D126 V127 L192 L196	H27-D53 VanDerWaalsContact CA-OD1 3.27Å; H27-D53 WeakPolarHBondContact CA-OD1 3.24Å; H27-D53 IonicContact CE1-OD2 3.5Å; H27-D53 IonicContact CG-OD2 2.74Å; H27-D53 IonicContact ND1-OD1 3.45Å; H27-D53 IonicContact ND1-OD2 3.31Å; H27-D53 PolarHBondContact ND1-OD2 3.3Å; H27-D126 CarbonylContact O-C 3.6Å; H27-D126 WeakPolarHBondContact O-CA 3.37Å; H27-V127 HydrophobicContact CB-CG2 3.99Å; H27-V127 PolarHBondContact N-O 3.38Å; H27-V127 PolarHBondContact O-N 3.12Å; H27-L192 HydrophobicContact CB-CD1 4.44Å; H27-L196 HydrophobicContact CB-CD1 3.66Å; H27-L196 HydrophobicContact CB-CD2 3.99Å; H27-L196 HydrophobicContact CB-CG 4.4Å; H27-L196 WeakPolarHBondContact ND1-CD2 3.34Å
28	S	97.9	Very high	78.6	Confident	25 Å²	25	51 Å²	51	18%	0.175	29%	0.289	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-133.4	148.8	179.7	66.3	0	0	0	0	111.7	V52 D53 C125 D126	S28-V52 CarbonylContact O-C 3.57Å; S28-V52 VanDerWaalsContact O-CA 3.32Å; S28-V52 WeakPolarHBondContact O-CA 3.38Å; S28-D53 PolarHBondContact N-OD1 2.81Å; S28-D53 PolarHBondContact O-N 3.18Å; S28-D53 PolarHBondContact OG-OD1 3Å; S28-C125 WeakPolarHBondContact CA-O 3.33Å; S28-D126 WeakPolarHBondContact CB-OD1 3.46Å
29	M	98.6	Very high	81.2	Confident	0 Å²	0	50.9 Å²	50.9	0%	0	28%	0.283	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-121.6	123.8	165.7	-174.2	170.9	62	0	0	108.5	Y31 Y51 V52 F57 G124 C125 C188 W191 L192 Y195	M29-Y31 HydrophobicContact CE-CE2 4.15Å; M29-Y31 HydrophobicContact CG-CE2 4.1Å; M29-Y31 HydrophobicContact SD-CE2 4.01Å; M29-Y51 CarbonylContact C-O 3.56Å; M29-Y51 WeakPolarHBondContact CA-O 3.35Å; M29-V52 HydrophobicContact CG-CG2 4.37Å; M29-F57 HydrophobicContact CG-CE1 4.39Å; M29-F57 HydrophobicContact SD-CZ 4.26Å; M29-G124 CarbonylContact O-C 3.56Å; M29-G124 WeakPolarHBondContact O-CA 3.31Å; M29-C125 PolarHBondContact N-O 3.42Å; M29-C125 PolarHBondContact O-N 3.38Å; M29-C188 HydrophobicContact CE-CB 4.16Å; M29-C188 WeakPolarHBondContact CE-O 3.04Å; M29-C188 WeakPolarHBondContact CE-SG 3.28Å; M29-W191 HydrophobicContact CE-CB 4.07Å; M29-W191 HydrophobicContact SD-CB 4.45Å; M29-L192 HydrophobicContact CB-CB 4.08Å; M29-L192 HydrophobicContact CB-CD1 4.02Å; M29-L192 HydrophobicContact CB-CD2 4.1Å; M29-L192 HydrophobicContact CB-CG 4.28Å; M29-L192 HydrophobicContact CE-CB 4.45Å; M29-Y195 HydrophobicContact SD-CD2 3.72Å; M29-Y195 HydrophobicContact SD-CE2 3.53Å; M29-Y195 VanDerWaalsContact SD-CE2 3.53Å
30	R	98.7	Very high	83.8	Confident	50 Å²	50	51 Å²	51	19%	0.189	31%	0.306	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-130.4	134.2	-177.2	-56.6	-63.3	179.3	77.6	3.8	110.8	F32 G50 Y51 D126	R30-F32 HydrophobicContact CB-CD2 4.43Å; R30-F32 HydrophobicContact CB-CE2 3.6Å; R30-F32 HydrophobicContact CB-CZ 3.92Å; R30-G50 CarbonylContact O-C 3.56Å; R30-G50 WeakPolarHBondContact O-CA 3.26Å; R30-Y51 PolarHBondContact N-O 2.88Å; R30-Y51 PolarHBondContact O-N 2.86Å; R30-D126 IonicContact CZ-OD1 3.74Å; R30-D126 IonicContact NE-OD1 2.69Å; R30-D126 PolarHBondContact NE-OD1 3.14Å; R30-D126 VanDerWaalsContact NH2-CG 3.32Å; R30-D126 IonicContact NH2-OD1 3.66Å; R30-D126 PolarHBondContact NH2-OD1 3.19Å; R30-D126 IonicContact NH2-OD2 3.92Å; R30-D126 PolarHBondContact NH2-OD2 3.18Å; R30-D126 VanDerWaalsContact NH2-OD2 3.08Å
31	Y	98.8	Very high	86.4	Confident	6 Å²	6	57.1 Å²	57.1	2%	0.024	32%	0.32	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-111.3	137.7	169.2	-70.6	-90.6	0	0	0	109.5	M29 Y33 V49 F57 V58 M122 Y123	M29-Y31 HydrophobicContact CE-CE2 4.15Å; M29-Y31 HydrophobicContact CG-CE2 4.1Å; M29-Y31 HydrophobicContact SD-CE2 4.01Å; Y31-Y33 HydrophobicContact CD1-CE1 4.37Å; Y31-V49 CarbonylContact C-O 3.53Å; Y31-V49 WeakPolarHBondContact CA-O 3.39Å; Y31-F57 HydrophobicContact CE1-CZ 4.05Å; Y31-F57 HydrophobicContact CE2-CZ 4.49Å; Y31-F57 AromaticContact CZ-CZ 3.75Å; Y31-F57 WeakPolarHBondContact OH-CZ 3.48Å; Y31-V58 HydrophobicContact CE1-CG2 3.98Å; Y31-M122 WeakPolarHBondContact O-CA 3.42Å; Y31-Y123 VanDerWaalsContact CB-CZ 3.46Å; Y31-Y123 AromaticContact CD2-CE2 3.73Å; Y31-Y123 HydrophobicContact CD2-CE2 3.73Å; Y31-Y123 AromaticContact CD2-CZ 3.78Å; Y31-Y123 HydrophobicContact CG-CE1 4.29Å; Y31-Y123 HydrophobicContact CG-CE2 4.16Å; Y31-Y123 AromaticContact CG-CZ 3.73Å; Y31-Y123 PolarHBondContact N-O 3.31Å; Y31-Y123 PolarHBondContact O-N 3.47Å; Y31-Y123 VanDerWaalsContact O-N 3.09Å
32	F	98.9	Very high	89	Confident	84 Å²	84	51.9 Å²	51.9	37%	0.368	31%	0.311	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-124.7	121.6	177.5	-56.9	-95.2	0	0	0	109.2	R30 A48 V49 Y51 I121 M122	R30-F32 HydrophobicContact CB-CD2 4.43Å; R30-F32 HydrophobicContact CB-CE2 3.6Å; R30-F32 HydrophobicContact CB-CZ 3.92Å; F32-A48 WeakPolarHBondContact O-CA 3.36Å; F32-V49 HydrophobicContact CB-CG2 3.84Å; F32-V49 HydrophobicContact CD2-CG2 4.31Å; F32-V49 PolarHBondContact N-O 3.45Å; F32-V49 PolarHBondContact O-N 3.23Å; F32-Y51 HydrophobicContact CD2-CD2 4.18Å; F32-Y51 HydrophobicContact CE2-CD2 4.22Å; F32-I121 CarbonylContact C-O 3.59Å; F32-I121 WeakPolarHBondContact CA-O 3.46Å; F32-M122 HydrophobicContact CD1-CB 3.92Å; F32-M122 HydrophobicContact CD1-CG 3.67Å; F32-M122 HydrophobicContact CE1-CB 4.05Å; F32-M122 HydrophobicContact CE1-CG 3.36Å; F32-M122 HydrophobicContact CZ-CG 4.02Å
33	Y	98.8	Very high	91.3	Very high	9 Å²	9	52.3 Å²	52.3	4%	0.035	31%	0.306	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-112.7	139.1	176	-53.7	-21	0	0	0	109.6	Y31 F46 I47 A48 Q94 Q120 I121 Y123	Y31-Y33 HydrophobicContact CD1-CE1 4.37Å; Y33-F46 HydrophobicContact CD1-CZ 4.23Å; Y33-F46 HydrophobicContact CD2-CE2 4.37Å; Y33-F46 HydrophobicContact CD2-CZ 4.05Å; Y33-F46 HydrophobicContact CE2-CZ 4.48Å; Y33-F46 HydrophobicContact CG-CE2 4.27Å; Y33-F46 AromaticContact CG-CZ 3.86Å; Y33-F46 HydrophobicContact CG-CZ 3.86Å; Y33-I47 CarbonylContact C-O 3.51Å; Y33-I47 WeakPolarHBondContact CA-O 3.09Å; Y33-A48 HydrophobicContact CD1-CB 3.3Å; Y33-A48 HydrophobicContact CE1-CB 3.44Å; Y33-A48 VanDerWaalsContact CE1-CB 3.44Å; Y33-A48 HydrophobicContact CG-CB 4.28Å; Y33-Q94 HydrophobicContact CD2-CG 3.64Å; Y33-Q94 HydrophobicContact CE2-CB 4.28Å; Y33-Q94 HydrophobicContact CE2-CG 3.66Å; Y33-Q120 CarbonylContact O-C 3.57Å; Y33-Q120 VanDerWaalsContact O-CA 3.3Å; Y33-Q120 WeakPolarHBondContact O-CA 3.47Å; Y33-I121 PolarHBondContact N-O 2.92Å; Y33-I121 PolarHBondContact O-N 3.47Å; Y33-Y123 HydrophobicContact CD2-CE1 4.18Å; Y33-Y123 HydrophobicContact CE1-CE1 4.12Å; Y33-Y123 AromaticContact CE2-CE1 3.56Å; Y33-Y123 HydrophobicContact CE2-CE1 3.56Å; Y33-Y123 AromaticContact CZ-CE1 3.55Å; Y33-Y123 AromaticContact CZ-CZ 3.94Å; Y33-Y123 PolarHBondContact OH-OH 2.98Å
34	T	98.9	Very high	93.6	Very high	46 Å²	46	51.6 Å²	51.6	28%	0.282	31%	0.307	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-133.8	123	176.4	-56.3	0	0	0	0	109.2	V36 F46 I47 T118 I119 Q120	T34-V36 HydrophobicContact CG2-CG2 4.01Å; T34-F46 WeakPolarHBondContact O-CA 3.39Å; T34-I47 PolarHBondContact N-O 2.68Å; T34-I47 PolarHBondContact O-N 2.92Å; T34-T118 HydrophobicContact CG2-CG2 3.96Å; T34-I119 WeakPolarHBondContact CA-O 3.26Å; T34-Q120 HydrophobicContact CG2-CG 4.2Å
35	S	98.8	Very high	95.6	Very high	2 Å²	2	52.7 Å²	52.7	1%	0.014	30%	0.297	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-118.8	119.1	178.5	-72.3	0	0	0	0	110.1	R45 F46 D98 T118 I119	S35-R45 CarbonylContact C-O 3.59Å; S35-R45 WeakPolarHBondContact CA-O 3.38Å; S35-F46 WeakPolarHBondContact OG-CD2 3.34Å; S35-D98 WeakPolarHBondContact CB-OD2 3.34Å; S35-D98 WeakPolarHBondContact OG-CB 3.29Å; S35-D98 PolarHBondContact OG-OD2 2.91Å; S35-T118 CarbonylContact O-C 3.55Å; S35-T118 VanDerWaalsContact O-CA 3.29Å; S35-T118 WeakPolarHBondContact O-CA 3.35Å; S35-I119 PolarHBondContact N-O 2.95Å; S35-I119 PolarHBondContact O-N 2.89Å
36	V	98.6	Very high	96.7	Very high	54 Å²	54	51.7 Å²	51.7	33%	0.327	29%	0.286	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-117.9	114.7	-177	-173.1	0	0	0	0	109.5	T34 P44 R45 H117 T118	T34-V36 HydrophobicContact CG2-CG2 4.01Å; V36-P44 CarbonylContact O-C 3.51Å; V36-P44 WeakPolarHBondContact O-CA 3.32Å; V36-P44 WeakPolarHBondContact O-CB 3.42Å; V36-R45 PolarHBondContact N-O 2.94Å; V36-R45 PolarHBondContact O-N 3.06Å; V36-H117 WeakPolarHBondContact CA-O 3.17Å; V36-T118 HydrophobicContact CG2-CG2 4.14Å
37	S	97.8	Very high	97	Very high	17 Å²	17	51.1 Å²	51.1	12%	0.119	28%	0.278	C	S	.	.			trans	-69	143.5	173.5	77.3	0	0	0	0	110.5	S116 H117	S37-S116 WeakPolarHBondContact O-CB 3.4Å; S37-S116 PolarHBondContact O-OG 3.04Å; S37-H117 PolarHBondContact N-O 2.85Å; S37-H117 PolarHBondContact OG-N 3.07Å; S37-H117 PolarHBondContact OG-O 3.12Å
38	R	96.3	Very high	97.1	Very high	74 Å²	74	49.7 Å²	49.7	28%	0.279	27%	0.271	S	S	.	.			trans	-134.7	73.9	-179.4	55.4	175.2	175.8	-158.7	-11.5	111.4	G40 R41 E43 D63	R38-G40 PolarHBondContact O-N 3.17Å; R38-R41 HydrophobicContact CB-CB 4.1Å; R38-R41 WeakPolarHBondContact CD-O 3.47Å; R38-R41 HydrophobicContact CG-CB 4.13Å; R38-R41 PolarHBondContact NE-O 3.22Å; R38-R41 PolarHBondContact O-N 3.2Å; R38-E43 VanDerWaalsContact CZ-O 3.23Å; R38-E43 PolarHBondContact NE-O 3.34Å; R38-E43 PolarHBondContact NH2-O 2.93Å; R38-D63 IonicContact CZ-OD1 3.46Å; R38-D63 IonicContact CZ-OD2 3.86Å; R38-D63 IonicContact NH1-OD1 3.68Å; R38-D63 PolarHBondContact NH1-OD1 2.71Å; R38-D63 IonicContact NH1-OD2 3.44Å; R38-D63 PolarHBondContact NH1-OD2 2.86Å; R38-D63 IonicContact NH2-OD1 3.07Å; R38-D63 PolarHBondContact NH2-OD1 2.97Å; R38-D63 IonicContact NH2-OD2 3.65Å
39	P	93.1	Very high	97.2	Very high	51 Å²	51	49.9 Å²	49.9	33%	0.331	27%	0.271	S	S	.	.	T	Hydrogen-bonded Turn	trans	-48.6	131.1	-178.5	-27	34.7	0	0	0	112.4	R41 E113 G115	P39-R41 PolarHBondContact O-N 2.87Å; P39-E113 WeakPolarHBondContact CB-O 3.45Å; P39-E113 VanDerWaalsContact CG-O 3.24Å; P39-E113 WeakPolarHBondContact CG-O 3.46Å; P39-G115 VanDerWaalsContact CG-O 3.25Å; P39-G115 WeakPolarHBondContact CG-O 3.37Å
40	G	92.1	Very high	97.2	Very high	89 Å²	89	49.9 Å²	49.9	92%	0.918	27%	0.271	S	S	*	.	T	Hydrogen-bonded Turn	trans	72.6	1.6	-177.6	0	0	0	0	0	116.1	R38	R38-G40 PolarHBondContact O-N 3.17Å
41	R	93.5	Very high	97.2	Very high	209 Å²	209	50.9 Å²	50.9	79%	0.789	28%	0.276	S	S	*	.	S	Bend	trans	-123.9	22	-179.1	-58.3	-175	-177.9	178.2	1.5	113.7	R38 P39	R38-R41 HydrophobicContact CB-CB 4.1Å; R38-R41 WeakPolarHBondContact CD-O 3.47Å; R38-R41 HydrophobicContact CG-CB 4.13Å; R38-R41 PolarHBondContact NE-O 3.22Å; R38-R41 PolarHBondContact O-N 3.2Å; P39-R41 PolarHBondContact O-N 2.87Å
42	G	92.2	Very high	97.1	Very high	58 Å²	58	50.6 Å²	50.6	60%	0.598	28%	0.275	S	S	*	.	S	Bend	trans	95.8	-162.6	178	0	0	0	0	0	113.9
43	E	94.6	Very high	97	Very high	104 Å²	104	48.1 Å²	48.1	49%	0.486	27%	0.265	S	S	.	.	S	Bend	trans	-65.1	150.9	-177.7	-64.4	-63	159.3	0	0	112.3	R38 R45 R99	R38-E43 VanDerWaalsContact CZ-O 3.23Å; R38-E43 PolarHBondContact NE-O 3.34Å; R38-E43 PolarHBondContact NH2-O 2.93Å; E43-R45 PolarHBondContact O-N 3.01Å; E43-R99 IonicContact OE1-NH1 2.74Å; E43-R99 PolarHBondContact OE1-NH1 3.17Å; E43-R99 WeakPolarHBondContact OE2-CD 3.3Å; E43-R99 IonicContact OE2-CZ 3.66Å; E43-R99 IonicContact OE2-NE 3.24Å; E43-R99 IonicContact OE2-NH1 3.66Å; E43-R99 PolarHBondContact OE2-NH1 3.45Å
44	P	97.3	Very high	96.9	Very high	26 Å²	26	50.9 Å²	50.9	17%	0.169	28%	0.28	C	S	.	.	P	Polyproline II helix	trans	-51.4	138.5	174	-26.2	35.2	0	0	0	112.3	V36 R99 L102	V36-P44 CarbonylContact O-C 3.51Å; V36-P44 WeakPolarHBondContact O-CA 3.32Å; V36-P44 WeakPolarHBondContact O-CB 3.42Å; P44-R99 HydrophobicContact CG-CB 4.5Å; P44-R99 HydrophobicContact CG-CG 4.15Å; P44-L102 HydrophobicContact CB-CD1 3.58Å; P44-L102 HydrophobicContact CG-CD1 3.65Å
45	R	98.4	Very high	96.7	Very high	91 Å²	91	49.8 Å²	49.8	34%	0.343	27%	0.274	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-79.2	126.7	173.7	-175	-179.4	-178.8	-174.8	-0.2	108.8	S35 V36 E43 I47 D61 S62 D63	S35-R45 CarbonylContact C-O 3.59Å; S35-R45 WeakPolarHBondContact CA-O 3.38Å; V36-R45 PolarHBondContact N-O 2.94Å; V36-R45 PolarHBondContact O-N 3.06Å; E43-R45 PolarHBondContact O-N 3.01Å; R45-I47 HydrophobicContact CG-CG1 4.37Å; R45-D61 IonicContact CZ-OD1 3.67Å; R45-D61 IonicContact CZ-OD2 3.75Å; R45-D61 IonicContact NE-OD1 2.82Å; R45-D61 PolarHBondContact NE-OD1 2.79Å; R45-D61 IonicContact NE-OD2 2.81Å; R45-D61 IonicContact NH2-OD1 2.92Å; R45-D61 PolarHBondContact NH2-OD1 2.89Å; R45-D61 IonicContact NH2-OD2 3.86Å; R45-D61 PolarHBondContact NH2-OD2 3.41Å; R45-S62 WeakPolarHBondContact CA-OG 3.5Å; R45-D63 WeakPolarHBondContact CD-OD2 3.48Å; R45-D63 IonicContact NE-OD2 3.42Å
46	F	98.7	Very high	96.7	Very high	1 Å²	1	52.1 Å²	52.1	0%	0.004	28%	0.284	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-111.3	125.6	176.9	178.3	-85.6	0	0	0	109.7	Y33 T34 S35 A48 F60 S62 V91 Q94 D98	Y33-F46 HydrophobicContact CD1-CZ 4.23Å; Y33-F46 HydrophobicContact CD2-CE2 4.37Å; Y33-F46 HydrophobicContact CD2-CZ 4.05Å; Y33-F46 HydrophobicContact CE2-CZ 4.48Å; Y33-F46 HydrophobicContact CG-CE2 4.27Å; Y33-F46 AromaticContact CG-CZ 3.86Å; Y33-F46 HydrophobicContact CG-CZ 3.86Å; T34-F46 WeakPolarHBondContact O-CA 3.39Å; S35-F46 WeakPolarHBondContact OG-CD2 3.34Å; F46-A48 HydrophobicContact CE1-CB 3.61Å; F46-A48 HydrophobicContact CZ-CB 4Å; F46-F60 AromaticContact CD1-CD1 3.69Å; F46-F60 HydrophobicContact CD1-CD1 3.69Å; F46-F60 AromaticContact CD1-CE1 3.81Å; F46-F60 HydrophobicContact CD1-CE1 3.81Å; F46-F60 HydrophobicContact CE1-CD1 4.01Å; F46-F60 HydrophobicContact CE1-CE1 4.41Å; F46-S62 PolarHBondContact N-OG 2.74Å; F46-S62 PolarHBondContact O-N 3.03Å; F46-S62 PolarHBondContact O-OG 3.3Å; F46-V91 HydrophobicContact CE1-CB 4.07Å; F46-Q94 HydrophobicContact CE2-CB 4.34Å; F46-Q94 HydrophobicContact CE2-CG 3.92Å; F46-Q94 HydrophobicContact CZ-CB 4.19Å; F46-Q94 HydrophobicContact CZ-CG 4.07Å; F46-D98 HydrophobicContact CD2-CB 4.5Å; F46-D98 WeakPolarHBondContact CE2-OD2 3.49Å
47	I	98.8	Very high	96.7	Very high	46 Å²	46	49.5 Å²	49.5	24%	0.236	27%	0.269	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-122.4	131.8	173.8	-59.4	173.9	0	0	0	107.8	Y33 T34 R45 V49 F60	Y33-I47 CarbonylContact C-O 3.51Å; Y33-I47 WeakPolarHBondContact CA-O 3.09Å; T34-I47 PolarHBondContact N-O 2.68Å; T34-I47 PolarHBondContact O-N 2.92Å; R45-I47 HydrophobicContact CG-CG1 4.37Å; I47-V49 HydrophobicContact CG2-CG1 4.36Å; I47-F60 WeakPolarHBondContact CA-O 3.39Å
48	A	98.8	Very high	96.7	Very high	1 Å²	1	48.7 Å²	48.7	1%	0.008	26%	0.263	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-123.9	137.9	171	0	0	0	0	0	110.3	F32 Y33 F46 R59 F60 V91	F32-A48 WeakPolarHBondContact O-CA 3.36Å; Y33-A48 HydrophobicContact CD1-CB 3.3Å; Y33-A48 HydrophobicContact CE1-CB 3.44Å; Y33-A48 VanDerWaalsContact CE1-CB 3.44Å; Y33-A48 HydrophobicContact CG-CB 4.28Å; F46-A48 HydrophobicContact CE1-CB 3.61Å; F46-A48 HydrophobicContact CZ-CB 4Å; A48-R59 CarbonylContact O-C 3.58Å; A48-R59 VanDerWaalsContact O-CA 3.29Å; A48-R59 WeakPolarHBondContact O-CA 3.26Å; A48-F60 HydrophobicContact CB-CB 4.25Å; A48-F60 PolarHBondContact N-O 2.94Å; A48-F60 PolarHBondContact O-N 2.92Å; A48-V91 HydrophobicContact CB-CG1 4.16Å
49	V	98.9	Very high	96.8	Very high	30 Å²	30	49.3 Å²	49.3	18%	0.182	27%	0.265	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-133.9	144.1	173.7	-62.5	0	0	0	0	109.9	Y31 F32 I47 Y51 V58 R59	Y31-V49 CarbonylContact C-O 3.53Å; Y31-V49 WeakPolarHBondContact CA-O 3.39Å; F32-V49 HydrophobicContact CB-CG2 3.84Å; F32-V49 HydrophobicContact CD2-CG2 4.31Å; F32-V49 PolarHBondContact N-O 3.45Å; F32-V49 PolarHBondContact O-N 3.23Å; I47-V49 HydrophobicContact CG2-CG1 4.36Å; V49-Y51 HydrophobicContact CB-CE2 4.1Å; V49-Y51 HydrophobicContact CG2-CD2 4.35Å; V49-Y51 HydrophobicContact CG2-CE2 3.83Å; V49-V58 WeakPolarHBondContact CA-O 3.38Å; V49-R59 HydrophobicContact CG1-CB 4.48Å; V49-R59 HydrophobicContact CG1-CG 4.21Å
50	G	98.7	Very high	97.1	Very high	0 Å²	0	47 Å²	47	0%	0	25%	0.25	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-121.4	138.2	176.1	0	0	0	0	0	110.6	R30 Q56 F57 V58	R30-G50 CarbonylContact O-C 3.56Å; R30-G50 WeakPolarHBondContact O-CA 3.26Å; G50-Q56 WeakPolarHBondContact O-CA 3.32Å; G50-F57 WeakPolarHBondContact O-CD1 3.49Å; G50-F57 PolarHBondContact O-N 2.86Å; G50-V58 PolarHBondContact N-O 2.97Å; G50-V58 VanDerWaalsContact N-O 3.11Å; G50-V58 PolarHBondContact O-N 3.46Å
51	Y	98.7	Very high	97.4	Very high	71 Å²	71	43.6 Å²	43.6	28%	0.278	21%	0.211	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-125.1	141.1	178.4	-75.7	-102.5	0	0	0	110.5	M29 R30 F32 V49 T55 Q56	M29-Y51 CarbonylContact C-O 3.56Å; M29-Y51 WeakPolarHBondContact CA-O 3.35Å; R30-Y51 PolarHBondContact N-O 2.88Å; R30-Y51 PolarHBondContact O-N 2.86Å; F32-Y51 HydrophobicContact CD2-CD2 4.18Å; F32-Y51 HydrophobicContact CE2-CD2 4.22Å; V49-Y51 HydrophobicContact CB-CE2 4.1Å; V49-Y51 HydrophobicContact CG2-CD2 4.35Å; V49-Y51 HydrophobicContact CG2-CE2 3.83Å; Y51-T55 WeakPolarHBondContact CA-O 3.04Å; Y51-T55 VanDerWaalsContact CD1-C 3.46Å; Y51-Q56 HydrophobicContact CD1-CB 4.01Å; Y51-Q56 VanDerWaalsContact CD1-N 3.28Å; Y51-Q56 HydrophobicContact CD2-CG 4.37Å; Y51-Q56 HydrophobicContact CE1-CB 3.51Å; Y51-Q56 HydrophobicContact CE1-CG 4.24Å; Y51-Q56 HydrophobicContact CE2-CB 4.09Å; Y51-Q56 HydrophobicContact CE2-CG 3.88Å; Y51-Q56 HydrophobicContact CG-CB 4.48Å
52	V	98.4	Very high	97.6	Very high	0 Å²	0	34.4 Å²	34.4	0%	0	18%	0.178	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-108.2	119.9	156	177.2	0	0	0	0	105.8	S28 M29 D54 T55 F57 W75 L192 Y195 L196 L203	S28-V52 CarbonylContact O-C 3.57Å; S28-V52 VanDerWaalsContact O-CA 3.32Å; S28-V52 WeakPolarHBondContact O-CA 3.38Å; M29-V52 HydrophobicContact CG-CG2 4.37Å; V52-D54 PolarHBondContact O-N 3.24Å; V52-T55 PolarHBondContact N-O 2.87Å; V52-T55 WeakPolarHBondContact O-CB 3.47Å; V52-T55 PolarHBondContact O-N 3.16Å; V52-F57 HydrophobicContact CG2-CD1 4.01Å; V52-F57 HydrophobicContact CG2-CE1 4.03Å; V52-W75 HydrophobicContact CB-CH2 4.5Å; V52-W75 HydrophobicContact CG2-CH2 3.94Å; V52-W75 HydrophobicContact CG2-CZ2 4.48Å; V52-L192 HydrophobicContact CG1-CD1 3.62Å; V52-L192 HydrophobicContact CG2-CD1 4.25Å; V52-Y195 HydrophobicContact CG2-CD2 3.94Å; V52-Y195 HydrophobicContact CG2-CG 4.48Å; V52-L196 HydrophobicContact CG1-CD2 4.03Å; V52-L203 HydrophobicContact CB-CD1 4.25Å; V52-L203 HydrophobicContact CB-CD2 4.06Å; V52-L203 HydrophobicContact CG1-CD1 3.9Å; V52-L203 HydrophobicContact CG1-CD2 4.05Å; V52-L203 HydrophobicContact CG1-CG 4.48Å
53	D	96.2	Very high	97.9	Very high	32 Å²	32	35.2 Å²	35.2	17%	0.171	17%	0.169	C	C	.	.	T	Hydrogen-bonded Turn	trans	47.9	-125.4	-167.5	-54	-41.4	0	0	0	110.6	H27 S28 T55	H27-D53 VanDerWaalsContact CA-OD1 3.27Å; H27-D53 WeakPolarHBondContact CA-OD1 3.24Å; H27-D53 IonicContact CE1-OD2 3.5Å; H27-D53 IonicContact CG-OD2 2.74Å; H27-D53 IonicContact ND1-OD1 3.45Å; H27-D53 IonicContact ND1-OD2 3.31Å; H27-D53 PolarHBondContact ND1-OD2 3.3Å; S28-D53 PolarHBondContact N-OD1 2.81Å; S28-D53 PolarHBondContact O-N 3.18Å; S28-D53 PolarHBondContact OG-OD1 3Å; D53-T55 VanDerWaalsContact C-N 3.31Å; D53-T55 PolarHBondContact O-N 3.42Å
54	D	95.4	Very high	98	Very high	66 Å²	66	31.7 Å²	31.7	35%	0.353	16%	0.158	S	C	.	.	T	Hydrogen-bonded Turn	trans	-91.1	13.2	179.5	-59.4	-54.8	0	0	0	113.5	V52 Y233 P234 A235 F265	V52-D54 PolarHBondContact O-N 3.24Å; D54-Y233 HydrophobicContact CB-CE2 4.25Å; D54-P234 WeakPolarHBondContact OD2-CB 3.46Å; D54-A235 HydrophobicContact CB-CB 4.23Å; D54-A235 VanDerWaalsContact CG-CB 3.49Å; D54-A235 VanDerWaalsContact OD2-CB 3.3Å; D54-A235 WeakPolarHBondContact OD2-CB 3.35Å; D54-A235 PolarHBondContact OD2-N 3.37Å; D54-F265 HydrophobicContact CB-CE2 3.8Å; D54-F265 HydrophobicContact CB-CZ 3.66Å
55	T	96.5	Very high	97.9	Very high	23 Å²	23	35.9 Å²	35.9	14%	0.141	19%	0.194	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-112.5	113	-175.1	-57.6	0	0	0	0	112.3	Y51 V52 D53 F57 L203 Y233	Y51-T55 WeakPolarHBondContact CA-O 3.04Å; Y51-T55 VanDerWaalsContact CD1-C 3.46Å; V52-T55 PolarHBondContact N-O 2.87Å; V52-T55 WeakPolarHBondContact O-CB 3.47Å; V52-T55 PolarHBondContact O-N 3.16Å; D53-T55 VanDerWaalsContact C-N 3.31Å; D53-T55 PolarHBondContact O-N 3.42Å; T55-F57 PolarHBondContact O-N 3.25Å; T55-L203 HydrophobicContact CG2-CD2 4.05Å; T55-Y233 WeakPolarHBondContact OG1-CE2 3.39Å; T55-Y233 PolarHBondContact OG1-OH 2.91Å
56	Q	97.7	Very high	97.7	Very high	51 Å²	51	34.3 Å²	34.3	24%	0.238	20%	0.197	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-67.2	129.6	174.1	-166.1	178.2	0.2	0	0	110.4	G50 Y51 V58 R72	G50-Q56 WeakPolarHBondContact O-CA 3.32Å; Y51-Q56 HydrophobicContact CD1-CB 4.01Å; Y51-Q56 VanDerWaalsContact CD1-N 3.28Å; Y51-Q56 HydrophobicContact CD2-CG 4.37Å; Y51-Q56 HydrophobicContact CE1-CB 3.51Å; Y51-Q56 HydrophobicContact CE1-CG 4.24Å; Y51-Q56 HydrophobicContact CE2-CB 4.09Å; Y51-Q56 HydrophobicContact CE2-CG 3.88Å; Y51-Q56 HydrophobicContact CG-CB 4.48Å; Q56-V58 PolarHBondContact NE2-O 2.95Å; Q56-R72 HydrophobicContact CG-CB 4.16Å; Q56-R72 HydrophobicContact CG-CG 4.38Å
57	F	98.3	Very high	97.6	Very high	0 Å²	0	38.4 Å²	38.4	0%	0	22%	0.216	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-120	-23.1	-179.9	74.7	-83.3	0	0	0	114.2	M29 Y31 G50 V52 T55 R72 A73 W75 I76 Y195	M29-F57 HydrophobicContact CG-CE1 4.39Å; M29-F57 HydrophobicContact SD-CZ 4.26Å; Y31-F57 HydrophobicContact CE1-CZ 4.05Å; Y31-F57 HydrophobicContact CE2-CZ 4.49Å; Y31-F57 AromaticContact CZ-CZ 3.75Å; Y31-F57 WeakPolarHBondContact OH-CZ 3.48Å; G50-F57 WeakPolarHBondContact O-CD1 3.49Å; G50-F57 PolarHBondContact O-N 2.86Å; V52-F57 HydrophobicContact CG2-CD1 4.01Å; V52-F57 HydrophobicContact CG2-CE1 4.03Å; T55-F57 PolarHBondContact O-N 3.25Å; F57-R72 PolarHBondContact O-N 3.24Å; F57-A73 HydrophobicContact CB-CB 4.17Å; F57-W75 HydrophobicContact CB-CH2 3.14Å; F57-W75 HydrophobicContact CB-CZ2 3.31Å; F57-W75 HydrophobicContact CB-CZ3 4Å; F57-W75 HydrophobicContact CD1-CH2 4.07Å; F57-W75 AromaticContact CD2-CH2 3.79Å; F57-W75 HydrophobicContact CD2-CH2 3.79Å; F57-W75 HydrophobicContact CD2-CZ3 4.11Å; F57-W75 AromaticContact CG-CH2 3.43Å; F57-W75 HydrophobicContact CG-CH2 3.43Å; F57-W75 VanDerWaalsContact CG-CH2 3.43Å; F57-W75 HydrophobicContact CG-CZ2 4.08Å; F57-W75 HydrophobicContact CG-CZ3 4.2Å; F57-I76 HydrophobicContact CD2-CB 4.44Å; F57-I76 HydrophobicContact CD2-CD1 3.95Å; F57-I76 HydrophobicContact CD2-CG1 4.03Å; F57-I76 HydrophobicContact CE2-CD1 4.3Å; F57-I76 VanDerWaalsContact O-CG2 3.3Å; F57-I76 WeakPolarHBondContact O-CG2 3.48Å; F57-Y195 HydrophobicContact CD2-CE2 4.44Å; F57-Y195 HydrophobicContact CE2-CD2 4.21Å; F57-Y195 AromaticContact CE2-CE2 3.61Å; F57-Y195 HydrophobicContact CE2-CE2 3.61Å; F57-Y195 AromaticContact CE2-CZ 3.98Å; F57-Y195 HydrophobicContact CZ-CD2 4.26Å; F57-Y195 AromaticContact CZ-CE2 3.76Å; F57-Y195 HydrophobicContact CZ-CE2 3.76Å
58	V	98.6	Very high	97.5	Very high	0 Å²	0	43.5 Å²	43.5	0%	0	23%	0.233	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-140	155.3	176.7	-72.6	0	0	0	0	112.9	Y31 V49 G50 Q56 M69 E70 I76 W84	Y31-V58 HydrophobicContact CE1-CG2 3.98Å; V49-V58 WeakPolarHBondContact CA-O 3.38Å; G50-V58 PolarHBondContact N-O 2.97Å; G50-V58 VanDerWaalsContact N-O 3.11Å; G50-V58 PolarHBondContact O-N 3.46Å; Q56-V58 PolarHBondContact NE2-O 2.95Å; V58-M69 HydrophobicContact CB-CG 4.12Å; V58-M69 HydrophobicContact CB-SD 3.69Å; V58-M69 HydrophobicContact CG1-CG 4.17Å; V58-M69 HydrophobicContact CG1-SD 4.38Å; V58-M69 HydrophobicContact CG2-SD 4.13Å; V58-E70 WeakPolarHBondContact CA-O 3.17Å; V58-I76 HydrophobicContact CG1-CG1 4.39Å; V58-W84 HydrophobicContact CG1-CH2 4.09Å; V58-W84 HydrophobicContact CG1-CZ3 3.89Å
59	R	98.6	Very high	97.5	Very high	87 Å²	87	43.9 Å²	43.9	33%	0.328	23%	0.234	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-147.2	143.1	173.3	179.9	173.6	170.2	167.8	-2.6	111.5	A48 V49 D61 M69 E70 R72	A48-R59 CarbonylContact O-C 3.58Å; A48-R59 VanDerWaalsContact O-CA 3.29Å; A48-R59 WeakPolarHBondContact O-CA 3.26Å; V49-R59 HydrophobicContact CG1-CB 4.48Å; V49-R59 HydrophobicContact CG1-CG 4.21Å; R59-D61 IonicContact NH2-OD2 3.67Å; R59-D61 PolarHBondContact NH2-OD2 3.45Å; R59-M69 VanDerWaalsContact C-SD 3.52Å; R59-E70 PolarHBondContact N-O 3.21Å; R59-E70 PolarHBondContact O-N 3.15Å; R59-R72 HydrophobicContact CB-CG 3.83Å
60	F	98.8	Very high	97.5	Very high	3 Å²	3	45.2 Å²	45.2	1%	0.013	24%	0.239	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-129.3	144.4	165	176.7	-83.4	0	0	0	109.6	F46 I47 A48 Q67 R68 M69 V91 K92	F46-F60 AromaticContact CD1-CD1 3.69Å; F46-F60 HydrophobicContact CD1-CD1 3.69Å; F46-F60 AromaticContact CD1-CE1 3.81Å; F46-F60 HydrophobicContact CD1-CE1 3.81Å; F46-F60 HydrophobicContact CE1-CD1 4.01Å; F46-F60 HydrophobicContact CE1-CE1 4.41Å; I47-F60 WeakPolarHBondContact CA-O 3.39Å; A48-F60 HydrophobicContact CB-CB 4.25Å; A48-F60 PolarHBondContact N-O 2.94Å; A48-F60 PolarHBondContact O-N 2.92Å; F60-Q67 VanDerWaalsContact CE2-C 3.45Å; F60-Q67 HydrophobicContact CE2-CB 4.43Å; F60-Q67 WeakPolarHBondContact CE2-O 3.29Å; F60-Q67 HydrophobicContact CZ-CB 4.41Å; F60-R68 WeakPolarHBondContact CD2-O 3.41Å; F60-M69 HydrophobicContact CB-CE 4.38Å; F60-M69 HydrophobicContact CB-SD 4Å; F60-V91 HydrophobicContact CB-CG2 4.02Å; F60-V91 HydrophobicContact CD1-CG2 4.14Å; F60-V91 HydrophobicContact CD2-CG2 3.37Å; F60-V91 HydrophobicContact CE1-CG2 4.47Å; F60-V91 HydrophobicContact CE2-CG2 3.76Å; F60-V91 HydrophobicContact CG-CB 4.3Å; F60-V91 HydrophobicContact CG-CG2 3.58Å; F60-V91 HydrophobicContact CZ-CG2 4.31Å; F60-K92 HydrophobicContact CE2-CG 4.21Å; F60-K92 HydrophobicContact CZ-CG 4.08Å
61	D	98.6	Very high	97.4	Very high	17 Å²	17	47.6 Å²	47.6	9%	0.091	25%	0.254	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-139.5	121	174.5	-165.5	-26.9	0	0	0	109	R45 R59 D63 A64	R45-D61 IonicContact CZ-OD1 3.67Å; R45-D61 IonicContact CZ-OD2 3.75Å; R45-D61 IonicContact NE-OD1 2.82Å; R45-D61 PolarHBondContact NE-OD1 2.79Å; R45-D61 IonicContact NE-OD2 2.81Å; R45-D61 IonicContact NH2-OD1 2.92Å; R45-D61 PolarHBondContact NH2-OD1 2.89Å; R45-D61 IonicContact NH2-OD2 3.86Å; R45-D61 PolarHBondContact NH2-OD2 3.41Å; R59-D61 IonicContact NH2-OD2 3.67Å; R59-D61 PolarHBondContact NH2-OD2 3.45Å; D61-D63 PolarHBondContact O-N 2.8Å; D61-D63 PolarHBondContact OD1-N 3.09Å; D61-D63 VanDerWaalsContact OD1-N 3.16Å; D61-A64 HydrophobicContact CB-CB 4.15Å; D61-A64 WeakPolarHBondContact O-CB 3.46Å; D61-A64 PolarHBondContact O-N 2.98Å; D61-A64 VanDerWaalsContact O-N 3.1Å
62	S	98.1	Very high	97.4	Very high	15 Å²	15	49.8 Å²	49.8	11%	0.105	26%	0.262	C	S	.	.	T	Hydrogen-bonded Turn	trans	-65	-23.2	-178.5	65.9	0	0	0	0	113.1	R45 F46 A64 Q67	R45-S62 WeakPolarHBondContact CA-OG 3.5Å; F46-S62 PolarHBondContact N-OG 2.74Å; F46-S62 PolarHBondContact O-N 3.03Å; F46-S62 PolarHBondContact O-OG 3.3Å; S62-A64 VanDerWaalsContact C-N 3.35Å; S62-Q67 PolarHBondContact O-NE2 2.95Å
63	D	97.5	Very high	97.3	Very high	76 Å²	76	50 Å²	50	41%	0.406	26%	0.264	S	S	.	.	T	Hydrogen-bonded Turn	trans	-86.7	-6.6	178.1	-75.3	-1.8	0	0	0	112.3	R38 R45 D61	R38-D63 IonicContact CZ-OD1 3.46Å; R38-D63 IonicContact CZ-OD2 3.86Å; R38-D63 IonicContact NH1-OD1 3.68Å; R38-D63 PolarHBondContact NH1-OD1 2.71Å; R38-D63 IonicContact NH1-OD2 3.44Å; R38-D63 PolarHBondContact NH1-OD2 2.86Å; R38-D63 IonicContact NH2-OD1 3.07Å; R38-D63 PolarHBondContact NH2-OD1 2.97Å; R38-D63 IonicContact NH2-OD2 3.65Å; R45-D63 WeakPolarHBondContact CD-OD2 3.48Å; R45-D63 IonicContact NE-OD2 3.42Å; D61-D63 PolarHBondContact O-N 2.8Å; D61-D63 PolarHBondContact OD1-N 3.09Å; D61-D63 VanDerWaalsContact OD1-N 3.16Å
64	A	97.1	Very high	97.3	Very high	29 Å²	29	53.5 Å²	53.5	24%	0.24	29%	0.288	C	S	.	.	S	Bend	trans	-71.8	146	174.6	0	0	0	0	0	111.3	D61 S62 S66 Q67	D61-A64 HydrophobicContact CB-CB 4.15Å; D61-A64 WeakPolarHBondContact O-CB 3.46Å; D61-A64 PolarHBondContact O-N 2.98Å; D61-A64 VanDerWaalsContact O-N 3.1Å; S62-A64 VanDerWaalsContact C-N 3.35Å; A64-S66 VanDerWaalsContact C-N 3.31Å; A64-S66 PolarHBondContact O-N 2.9Å; A64-Q67 WeakPolarHBondContact O-CG 3.28Å; A64-Q67 PolarHBondContact O-N 3.3Å
65	A	96.1	Very high	97.4	Very high	114 Å²	114	51.2 Å²	51.2	94%	0.942	28%	0.275	S	S	*	.	S	Bend	trans	-63.6	-33.7	-178.7	0	0	0	0	0	113.6
66	S	92.9	Very high	97.4	Very high	58 Å²	58	50.1 Å²	50.1	41%	0.406	27%	0.268	S	S	.	.	S	Bend	trans	-72.7	-33	179.3	59.8	0	0	0	0	112.2	A64 R68 E70	A64-S66 VanDerWaalsContact C-N 3.31Å; A64-S66 PolarHBondContact O-N 2.9Å; S66-R68 WeakPolarHBondContact O-CG 2.94Å; S66-R68 PolarHBondContact O-N 2.8Å; S66-E70 PolarHBondContact OG-OE1 2.95Å
67	Q	95.9	Very high	97.4	Very high	87 Å²	87	53.7 Å²	53.7	41%	0.407	29%	0.285	S	S	.	.			trans	39.5	51.9	-168	-59.6	-172.9	-21.9	0	0	111.8	F60 S62 A64 K92	F60-Q67 VanDerWaalsContact CE2-C 3.45Å; F60-Q67 HydrophobicContact CE2-CB 4.43Å; F60-Q67 WeakPolarHBondContact CE2-O 3.29Å; F60-Q67 HydrophobicContact CZ-CB 4.41Å; S62-Q67 PolarHBondContact O-NE2 2.95Å; A64-Q67 WeakPolarHBondContact O-CG 3.28Å; A64-Q67 PolarHBondContact O-N 3.3Å; Q67-K92 WeakPolarHBondContact O-CE 3.47Å; Q67-K92 PolarHBondContact O-NZ 3.48Å
68	R	97.9	Very high	97.2	Very high	154 Å²	154	59.3 Å²	59.3	58%	0.581	31%	0.311	S	S	*	.	S	Bend	trans	-125.9	156.2	178.7	-78.9	178.1	176.9	-173.5	-3.8	110.3	F60 S66 E70 T88	F60-R68 WeakPolarHBondContact CD2-O 3.41Å; S66-R68 WeakPolarHBondContact O-CG 2.94Å; S66-R68 PolarHBondContact O-N 2.8Å; R68-E70 PolarHBondContact O-N 2.83Å; R68-T88 HydrophobicContact CB-CG2 4.49Å; R68-T88 HydrophobicContact CG-CG2 4.16Å
69	M	98.3	Very high	97.2	Very high	8 Å²	8	59.8 Å²	59.8	4%	0.039	31%	0.313	C	S	.	.			trans	-67.8	127.6	167.2	-172.9	64.8	84.9	0	0	108.3	V58 R59 F60 W84 E87 T88 V91	V58-M69 HydrophobicContact CB-CG 4.12Å; V58-M69 HydrophobicContact CB-SD 3.69Å; V58-M69 HydrophobicContact CG1-CG 4.17Å; V58-M69 HydrophobicContact CG1-SD 4.38Å; V58-M69 HydrophobicContact CG2-SD 4.13Å; R59-M69 VanDerWaalsContact C-SD 3.52Å; F60-M69 HydrophobicContact CB-CE 4.38Å; F60-M69 HydrophobicContact CB-SD 4Å; M69-W84 HydrophobicContact CB-CE3 4.21Å; M69-W84 HydrophobicContact CG-CE3 4.11Å; M69-W84 HydrophobicContact CG-CZ3 3.94Å; M69-E87 HydrophobicContact CB-CB 4.15Å; M69-E87 HydrophobicContact CE-CB 4.37Å; M69-E87 HydrophobicContact CG-CB 4.11Å; M69-T88 PolarHBondContact N-OG1 3.15Å; M69-V91 HydrophobicContact CE-CB 4.42Å; M69-V91 HydrophobicContact CE-CG1 3.37Å; M69-V91 HydrophobicContact CE-CG2 4.25Å
70	E	98.3	Very high	97.1	Very high	59 Å²	59	57.4 Å²	57.4	28%	0.276	32%	0.315	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-115.2	139.4	-174.9	-66.8	174.6	169.5	0	0	110.7	V58 R59 S66 R68 R72	V58-E70 WeakPolarHBondContact CA-O 3.17Å; R59-E70 PolarHBondContact N-O 3.21Å; R59-E70 PolarHBondContact O-N 3.15Å; S66-E70 PolarHBondContact OG-OE1 2.95Å; R68-E70 PolarHBondContact O-N 2.83Å; E70-R72 IonicContact OE2-CZ 3.69Å; E70-R72 IonicContact OE2-NH2 3.78Å; E70-R72 PolarHBondContact OE2-NH2 2.79Å
71	P	98.2	Very high	97	Very high	49 Å²	49	61.9 Å²	61.9	32%	0.318	35%	0.345	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-66.6	146	173.2	29.5	-35	0	0	0	111.3	I76 E77 W84	P71-I76 HydrophobicContact CB-CG2 3.66Å; P71-E77 HydrophobicContact CB-CG 3.78Å; P71-E77 HydrophobicContact CG-CG 4.06Å; P71-W84 HydrophobicContact CB-CH2 3.62Å; P71-W84 HydrophobicContact CB-CZ2 3.99Å; P71-W84 HydrophobicContact CB-CZ3 4.48Å; P71-W84 HydrophobicContact CG-CH2 4.28Å; P71-W84 HydrophobicContact CG-CZ2 4.45Å
72	R	97.6	Very high	97	Very high	117 Å²	117	69 Å²	69	44%	0.442	38%	0.378	S	S	.	.			trans	-129	-0.9	174.6	-60.4	-64.5	168.8	-177.5	-1.6	113.5	Q56 F57 R59 E70	Q56-R72 HydrophobicContact CG-CB 4.16Å; Q56-R72 HydrophobicContact CG-CG 4.38Å; F57-R72 PolarHBondContact O-N 3.24Å; R59-R72 HydrophobicContact CB-CG 3.83Å; E70-R72 IonicContact OE2-CZ 3.69Å; E70-R72 IonicContact OE2-NH2 3.78Å; E70-R72 PolarHBondContact OE2-NH2 2.79Å
73	A	96.4	Very high	97	Very high	5 Å²	5	69 Å²	69	4%	0.041	38%	0.375	C	S	.	.	S	Bend	trans	-137.2	144.9	173.4	0	0	0	0	0	110.8	F57 W75 I76	F57-A73 HydrophobicContact CB-CB 4.17Å; A73-W75 VanDerWaalsContact C-N 3.28Å; A73-W75 HydrophobicContact CB-CD2 4.2Å; A73-W75 HydrophobicContact CB-CG 4.36Å; A73-W75 HydrophobicContact CB-CZ2 4.04Å; A73-W75 PolarHBondContact O-N 3.06Å; A73-I76 VanDerWaalsContact O-CG2 3.24Å; A73-I76 WeakPolarHBondContact O-CG2 3.35Å; A73-I76 PolarHBondContact O-N 3.48Å
74	P	96.5	Very high	97	Very high	106 Å²	106	67.3 Å²	67.3	69%	0.688	36%	0.363	S	S	*	.	G	3₁₀ helix	trans	-58.7	-36.9	-177.6	-26.7	35.1	0	0	0	113.9	I76 E77	P74-I76 VanDerWaalsContact C-N 3.25Å; P74-I76 PolarHBondContact O-N 3.46Å; P74-E77 WeakPolarHBondContact O-CB 3.19Å; P74-E77 PolarHBondContact O-N 2.9Å; P74-E77 VanDerWaalsContact O-N 3.14Å
75	W	96.6	Very high	97.1	Very high	17 Å²	17	70 Å²	70	6%	0.064	37%	0.374	C	S	.	.	G	3₁₀ helix	trans	-70.8	-14.6	-175.6	54.4	-105.4	0	0	0	114.4	V52 F57 A73 Q78 Y195 L203	V52-W75 HydrophobicContact CB-CH2 4.5Å; V52-W75 HydrophobicContact CG2-CH2 3.94Å; V52-W75 HydrophobicContact CG2-CZ2 4.48Å; F57-W75 HydrophobicContact CB-CH2 3.14Å; F57-W75 HydrophobicContact CB-CZ2 3.31Å; F57-W75 HydrophobicContact CB-CZ3 4Å; F57-W75 HydrophobicContact CD1-CH2 4.07Å; F57-W75 AromaticContact CD2-CH2 3.79Å; F57-W75 HydrophobicContact CD2-CH2 3.79Å; F57-W75 HydrophobicContact CD2-CZ3 4.11Å; F57-W75 AromaticContact CG-CH2 3.43Å; F57-W75 HydrophobicContact CG-CH2 3.43Å; F57-W75 VanDerWaalsContact CG-CH2 3.43Å; F57-W75 HydrophobicContact CG-CZ2 4.08Å; F57-W75 HydrophobicContact CG-CZ3 4.2Å; A73-W75 VanDerWaalsContact C-N 3.28Å; A73-W75 HydrophobicContact CB-CD2 4.2Å; A73-W75 HydrophobicContact CB-CG 4.36Å; A73-W75 HydrophobicContact CB-CZ2 4.04Å; A73-W75 PolarHBondContact O-N 3.06Å; W75-Q78 WeakPolarHBondContact O-CG 3.22Å; W75-Q78 PolarHBondContact O-NE2 2.72Å; W75-Y195 HydrophobicContact CH2-CG 4.19Å; W75-Y195 AromaticContact CZ3-CD1 3.81Å; W75-Y195 HydrophobicContact CZ3-CD1 3.81Å; W75-Y195 HydrophobicContact CZ3-CD2 4.33Å; W75-Y195 AromaticContact CZ3-CG 3.67Å; W75-Y195 HydrophobicContact CZ3-CG 3.67Å; W75-L203 HydrophobicContact CD2-CD1 4.41Å; W75-L203 HydrophobicContact CH2-CD1 4.27Å; W75-L203 HydrophobicContact CZ2-CD1 3.8Å; W75-L203 HydrophobicContact CZ2-CD2 4.03Å; W75-L203 HydrophobicContact CZ2-CG 4.31Å
76	I	97.8	Very high	97.2	Very high	0 Å²	0	68.3 Å²	68.3	0%	0	35%	0.346	C	S	.	.	G	3₁₀ helix	trans	-89	-19.1	173.4	-160.9	73.1	0	0	0	111.7	F57 V58 P71 A73 P74 Q78 E79 Y83 W84 Y195	F57-I76 HydrophobicContact CD2-CB 4.44Å; F57-I76 HydrophobicContact CD2-CD1 3.95Å; F57-I76 HydrophobicContact CD2-CG1 4.03Å; F57-I76 HydrophobicContact CE2-CD1 4.3Å; F57-I76 VanDerWaalsContact O-CG2 3.3Å; F57-I76 WeakPolarHBondContact O-CG2 3.48Å; V58-I76 HydrophobicContact CG1-CG1 4.39Å; P71-I76 HydrophobicContact CB-CG2 3.66Å; A73-I76 VanDerWaalsContact O-CG2 3.24Å; A73-I76 WeakPolarHBondContact O-CG2 3.35Å; A73-I76 PolarHBondContact O-N 3.48Å; P74-I76 VanDerWaalsContact C-N 3.25Å; P74-I76 PolarHBondContact O-N 3.46Å; I76-Q78 PolarHBondContact O-N 3.17Å; I76-Q78 VanDerWaalsContact O-N 3.14Å; I76-E79 HydrophobicContact CD1-CG 3.68Å; I76-E79 HydrophobicContact CG1-CG 4.12Å; I76-E79 WeakPolarHBondContact O-CB 3.12Å; I76-E79 WeakPolarHBondContact O-CG 3.38Å; I76-E79 PolarHBondContact O-N 3.3Å; I76-Y83 HydrophobicContact CD1-CE1 4.21Å; I76-Y83 HydrophobicContact CG1-CE1 4.11Å; I76-W84 HydrophobicContact CB-CH2 4.46Å; I76-W84 HydrophobicContact CG1-CH2 3.84Å; I76-W84 HydrophobicContact CG1-CZ2 4.1Å; I76-W84 HydrophobicContact CG2-CH2 3.85Å; I76-W84 HydrophobicContact CG2-CZ2 4.25Å; I76-W84 WeakPolarHBondContact O-CZ2 3.35Å; I76-Y195 HydrophobicContact CD1-CD1 3.76Å; I76-Y195 HydrophobicContact CD1-CE1 3.29Å
77	E	96.7	Very high	97.4	Very high	127 Å²	127	66.7 Å²	66.7	59%	0.593	33%	0.332	S	S	*	.	T	Hydrogen-bonded Turn	trans	-64	-22.1	-176.9	-64.6	-178.3	-174.6	0	0	113.3	P71 P74 E79	P71-E77 HydrophobicContact CB-CG 3.78Å; P71-E77 HydrophobicContact CG-CG 4.06Å; P74-E77 WeakPolarHBondContact O-CB 3.19Å; P74-E77 PolarHBondContact O-N 2.9Å; P74-E77 VanDerWaalsContact O-N 3.14Å; E77-E79 PolarHBondContact O-N 3.05Å
78	Q	95.6	Very high	97.5	Very high	117 Å²	117	63.1 Å²	63.1	55%	0.547	32%	0.317	S	S	.	.	T	Hydrogen-bonded Turn	trans	-71.3	-13.1	175.1	69.8	-172.4	-32	0	0	113.9	W75 I76 N198	W75-Q78 WeakPolarHBondContact O-CG 3.22Å; W75-Q78 PolarHBondContact O-NE2 2.72Å; I76-Q78 PolarHBondContact O-N 3.17Å; I76-Q78 VanDerWaalsContact O-N 3.14Å; Q78-N198 PolarHBondContact NE2-ND2 2.74Å
79	E	97.4	Very high	97.6	Very high	11 Å²	11	62.9 Å²	62.9	5%	0.051	32%	0.316	C	S	.	.	S	Bend	trans	-65.4	137.6	176.5	-67.3	-60.5	159	0	0	111.2	I76 E77 Y83 W84 R194 N198	I76-E79 HydrophobicContact CD1-CG 3.68Å; I76-E79 HydrophobicContact CG1-CG 4.12Å; I76-E79 WeakPolarHBondContact O-CB 3.12Å; I76-E79 WeakPolarHBondContact O-CG 3.38Å; I76-E79 PolarHBondContact O-N 3.3Å; E77-E79 PolarHBondContact O-N 3.05Å; E79-Y83 HydrophobicContact CB-CD1 3.54Å; E79-Y83 HydrophobicContact CB-CE1 4.18Å; E79-Y83 HydrophobicContact CB-CG 3.8Å; E79-Y83 HydrophobicContact CG-CD1 4.04Å; E79-Y83 HydrophobicContact CG-CE1 4.28Å; E79-Y83 HydrophobicContact CG-CG 4.18Å; E79-W84 PolarHBondContact O-NE1 3.31Å; E79-R194 VanDerWaalsContact CD-NH2 3.33Å; E79-R194 IonicContact OE1-CZ 2.96Å; E79-R194 IonicContact OE1-NE 2.74Å; E79-R194 PolarHBondContact OE1-NE 3.01Å; E79-R194 IonicContact OE1-NH2 3.36Å; E79-R194 PolarHBondContact OE1-NH2 3.47Å; E79-R194 VanDerWaalsContact OE1-NH2 3.16Å; E79-R194 IonicContact OE2-CZ 3.97Å; E79-R194 IonicContact OE2-NE 2.79Å; E79-R194 IonicContact OE2-NH2 3.73Å; E79-R194 PolarHBondContact OE2-NH2 3.44Å; E79-N198 PolarHBondContact OE1-ND2 2.86Å
80	G	96.9	Very high	97.5	Very high	36 Å²	36	65.4 Å²	65.4	37%	0.371	33%	0.329	S	S	.	.			trans	-70.3	168	-174.9	0	0	0	0	0	113.9	E82 Y83 W84	G80-E82 PolarHBondContact O-N 2.68Å; G80-E82 VanDerWaalsContact O-N 3.16Å; G80-Y83 WeakPolarHBondContact O-CB 3.48Å; G80-Y83 PolarHBondContact O-N 2.94Å; G80-W84 VanDerWaalsContact O-CD1 3.28Å; G80-W84 PolarHBondContact O-N 2.81Å
81	P	97.4	Very high	97.5	Very high	98 Å²	98	62.6 Å²	62.6	64%	0.636	32%	0.316	S	S	*	.	H	α-helix	trans	-57.7	-32.9	-179	23.1	-33.8	0	0	0	113.4	Y83 W84 D85	P81-Y83 VanDerWaalsContact C-N 3.29Å; P81-Y83 PolarHBondContact O-N 2.9Å; P81-W84 PolarHBondContact O-N 2.84Å; P81-D85 WeakPolarHBondContact O-CB 3.47Å; P81-D85 PolarHBondContact O-N 2.89Å
82	E	97.9	Very high	97.5	Very high	166 Å²	166	64.2 Å²	64.2	78%	0.776	32%	0.318	S	S	*	.	H	α-helix	trans	-60.4	-37.5	177.5	-64.3	-178.7	176.7	0	0	112.7	G80 Q86	G80-E82 PolarHBondContact O-N 2.68Å; G80-E82 VanDerWaalsContact O-N 3.16Å; E82-Q86 VanDerWaalsContact O-CB 3.23Å; E82-Q86 WeakPolarHBondContact O-CB 3.2Å; E82-Q86 PolarHBondContact O-N 2.88Å
83	Y	97.9	Very high	97.6	Very high	15 Å²	15	61.4 Å²	61.4	6%	0.059	32%	0.32	C	S	.	.	H	α-helix	trans	-63.3	-52.4	175.1	170.6	-96.1	0	0	0	110.2	I76 E79 G80 P81 D85 Q86 E87 W191 Y195	I76-Y83 HydrophobicContact CD1-CE1 4.21Å; I76-Y83 HydrophobicContact CG1-CE1 4.11Å; E79-Y83 HydrophobicContact CB-CD1 3.54Å; E79-Y83 HydrophobicContact CB-CE1 4.18Å; E79-Y83 HydrophobicContact CB-CG 3.8Å; E79-Y83 HydrophobicContact CG-CD1 4.04Å; E79-Y83 HydrophobicContact CG-CE1 4.28Å; E79-Y83 HydrophobicContact CG-CG 4.18Å; G80-Y83 WeakPolarHBondContact O-CB 3.48Å; G80-Y83 PolarHBondContact O-N 2.94Å; P81-Y83 VanDerWaalsContact C-N 3.29Å; P81-Y83 PolarHBondContact O-N 2.9Å; Y83-D85 VanDerWaalsContact C-N 3.33Å; Y83-D85 PolarHBondContact O-N 2.03Å; Y83-Q86 PolarHBondContact O-N 2.81Å; Y83-E87 HydrophobicContact CD1-CG 4.41Å; Y83-E87 HydrophobicContact CD2-CG 4.09Å; Y83-E87 HydrophobicContact CE1-CG 4.05Å; Y83-E87 HydrophobicContact CE2-CG 3.69Å; Y83-E87 HydrophobicContact CG-CG 4.43Å; Y83-E87 WeakPolarHBondContact O-CB 3.47Å; Y83-E87 WeakPolarHBondContact O-CG 3.4Å; Y83-E87 PolarHBondContact O-N 2.88Å; Y83-W191 AromaticContact CD2-CH2 3.51Å; Y83-W191 HydrophobicContact CD2-CH2 3.51Å; Y83-W191 HydrophobicContact CD2-CZ2 4.07Å; Y83-W191 AromaticContact CD2-CZ3 3.91Å; Y83-W191 HydrophobicContact CD2-CZ3 3.91Å; Y83-W191 HydrophobicContact CE2-CE3 4.42Å; Y83-W191 AromaticContact CE2-CH2 3.91Å; Y83-W191 HydrophobicContact CE2-CH2 3.91Å; Y83-W191 HydrophobicContact CE2-CZ2 4.36Å; Y83-W191 AromaticContact CE2-CZ3 3.94Å; Y83-W191 HydrophobicContact CE2-CZ3 3.94Å; Y83-Y195 WeakPolarHBondContact CE2-OH 3.32Å; Y83-Y195 PolarHBondContact OH-OH 3.44Å
84	W	98.4	Very high	97.6	Very high	41 Å²	41	63.1 Å²	63.1	16%	0.155	33%	0.327	C	S	.	.	H	α-helix	trans	-62.7	-38.6	-178.6	-63.3	111.5	0	0	0	112.9	V58 M69 P71 I76 E79 G80 P81 T88	V58-W84 HydrophobicContact CG1-CH2 4.09Å; V58-W84 HydrophobicContact CG1-CZ3 3.89Å; M69-W84 HydrophobicContact CB-CE3 4.21Å; M69-W84 HydrophobicContact CG-CE3 4.11Å; M69-W84 HydrophobicContact CG-CZ3 3.94Å; P71-W84 HydrophobicContact CB-CH2 3.62Å; P71-W84 HydrophobicContact CB-CZ2 3.99Å; P71-W84 HydrophobicContact CB-CZ3 4.48Å; P71-W84 HydrophobicContact CG-CH2 4.28Å; P71-W84 HydrophobicContact CG-CZ2 4.45Å; I76-W84 HydrophobicContact CB-CH2 4.46Å; I76-W84 HydrophobicContact CG1-CH2 3.84Å; I76-W84 HydrophobicContact CG1-CZ2 4.1Å; I76-W84 HydrophobicContact CG2-CH2 3.85Å; I76-W84 HydrophobicContact CG2-CZ2 4.25Å; I76-W84 WeakPolarHBondContact O-CZ2 3.35Å; E79-W84 PolarHBondContact O-NE1 3.31Å; G80-W84 VanDerWaalsContact O-CD1 3.28Å; G80-W84 PolarHBondContact O-N 2.81Å; P81-W84 PolarHBondContact O-N 2.84Å; W84-T88 WeakPolarHBondContact O-CB 3.49Å; W84-T88 PolarHBondContact O-N 2.71Å; W84-T88 PolarHBondContact O-OG1 2.97Å
85	D	98.3	Very high	97.7	Very high	85 Å²	85	59 Å²	59	46%	0.455	30%	0.301	S	S	.	.	H	α-helix	trans	-69.6	-38.9	176.3	-76.6	-20.5	0	0	0	112	P81 Y83 R89	P81-D85 WeakPolarHBondContact O-CB 3.47Å; P81-D85 PolarHBondContact O-N 2.89Å; Y83-D85 VanDerWaalsContact C-N 3.33Å; Y83-D85 PolarHBondContact O-N 2.03Å; D85-R89 WeakPolarHBondContact O-CB 3.32Å; D85-R89 VanDerWaalsContact O-CG 3.3Å; D85-R89 WeakPolarHBondContact O-CG 3.28Å; D85-R89 PolarHBondContact O-N 2.86Å; D85-R89 PolarHBondContact O-NE 2.94Å
86	Q	97.9	Very high	97.8	Very high	78 Å²	78	62.9 Å²	62.9	36%	0.364	32%	0.32	S	S	.	.	H	α-helix	trans	-67.5	-48.4	175.4	-175.4	62.2	56.4	0	0	111.2	E82 Y83 T88 R89 N90	E82-Q86 VanDerWaalsContact O-CB 3.23Å; E82-Q86 WeakPolarHBondContact O-CB 3.2Å; E82-Q86 PolarHBondContact O-N 2.88Å; Y83-Q86 PolarHBondContact O-N 2.81Å; Q86-T88 VanDerWaalsContact C-N 3.35Å; Q86-T88 PolarHBondContact O-N 3.11Å; Q86-R89 PolarHBondContact O-N 2.97Å; Q86-N90 PolarHBondContact NE2-OD1 2.79Å; Q86-N90 PolarHBondContact O-N 3.37Å; Q86-N90 PolarHBondContact O-ND2 2.98Å; Q86-N90 PolarHBondContact O-OD1 2.96Å
87	E	98	Very high	97.8	Very high	24 Å²	24	66 Å²	66	11%	0.112	34%	0.339	C	S	.	.	H	α-helix	trans	-63.9	-41	179.6	-71.3	-56.1	100.4	0	0	111.7	M69 Y83 R89 N90 V91	M69-E87 HydrophobicContact CB-CB 4.15Å; M69-E87 HydrophobicContact CE-CB 4.37Å; M69-E87 HydrophobicContact CG-CB 4.11Å; Y83-E87 HydrophobicContact CD1-CG 4.41Å; Y83-E87 HydrophobicContact CD2-CG 4.09Å; Y83-E87 HydrophobicContact CE1-CG 4.05Å; Y83-E87 HydrophobicContact CE2-CG 3.69Å; Y83-E87 HydrophobicContact CG-CG 4.43Å; Y83-E87 WeakPolarHBondContact O-CB 3.47Å; Y83-E87 WeakPolarHBondContact O-CG 3.4Å; Y83-E87 PolarHBondContact O-N 2.88Å; E87-R89 VanDerWaalsContact C-N 3.35Å; E87-R89 PolarHBondContact O-N 2.97Å; E87-N90 PolarHBondContact O-N 3.45Å; E87-N90 PolarHBondContact OE1-ND2 3.49Å; E87-N90 VanDerWaalsContact OE1-ND2 3.08Å; E87-V91 WeakPolarHBondContact O-CG2 3.44Å; E87-V91 PolarHBondContact O-N 2.66Å
88	T	98.6	Very high	97.9	Very high	13 Å²	13	60 Å²	60	8%	0.08	31%	0.311	C	S	.	.	H	α-helix	trans	-61	-42.6	173.9	-62.6	0	0	0	0	111.7	R68 M69 W84 Q86 V91 K92	R68-T88 HydrophobicContact CB-CG2 4.49Å; R68-T88 HydrophobicContact CG-CG2 4.16Å; M69-T88 PolarHBondContact N-OG1 3.15Å; W84-T88 WeakPolarHBondContact O-CB 3.49Å; W84-T88 PolarHBondContact O-N 2.71Å; W84-T88 PolarHBondContact O-OG1 2.97Å; Q86-T88 VanDerWaalsContact C-N 3.35Å; Q86-T88 PolarHBondContact O-N 3.11Å; T88-V91 WeakPolarHBondContact O-CG2 3.39Å; T88-K92 HydrophobicContact CG2-CD 4.19Å; T88-K92 WeakPolarHBondContact O-CB 3.38Å; T88-K92 WeakPolarHBondContact O-CG 3.5Å; T88-K92 PolarHBondContact O-N 3Å; T88-K92 VanDerWaalsContact O-N 3.08Å
89	R	98.4	Very high	98	Very high	149 Å²	149	59.3 Å²	59.3	56%	0.562	30%	0.303	S	S	*	.	H	α-helix	trans	-64.4	-42.5	176.2	-79.1	-175.5	-67.2	146.6	0	111.7	D85 Q86 E87 K92 A93	D85-R89 WeakPolarHBondContact O-CB 3.32Å; D85-R89 VanDerWaalsContact O-CG 3.3Å; D85-R89 WeakPolarHBondContact O-CG 3.28Å; D85-R89 PolarHBondContact O-N 2.86Å; D85-R89 PolarHBondContact O-NE 2.94Å; Q86-R89 PolarHBondContact O-N 2.97Å; E87-R89 VanDerWaalsContact C-N 3.35Å; E87-R89 PolarHBondContact O-N 2.97Å; R89-K92 PolarHBondContact O-N 3.45Å; R89-A93 WeakPolarHBondContact O-CB 3.48Å; R89-A93 PolarHBondContact O-N 3.29Å
90	N	97.5	Very high	98	Very high	60 Å²	60	63 Å²	63	32%	0.321	33%	0.327	S	S	.	.	H	α-helix	trans	-59.2	-51.9	179	-67.4	-17.5	0	0	0	111.1	Q86 E87 K92 A93 Q94	Q86-N90 PolarHBondContact NE2-OD1 2.79Å; Q86-N90 PolarHBondContact O-N 3.37Å; Q86-N90 PolarHBondContact O-ND2 2.98Å; Q86-N90 PolarHBondContact O-OD1 2.96Å; E87-N90 PolarHBondContact O-N 3.45Å; E87-N90 PolarHBondContact OE1-ND2 3.49Å; E87-N90 VanDerWaalsContact OE1-ND2 3.08Å; N90-K92 PolarHBondContact O-N 3.41Å; N90-A93 PolarHBondContact O-N 3Å; N90-Q94 PolarHBondContact O-N 3.39Å
91	V	98.1	Very high	98	Very high	0 Å²	0	64.1 Å²	64.1	0%	0	32%	0.324	C	S	.	.	H	α-helix	trans	-69.4	-30.6	-179.1	-63.6	0	0	0	0	113.4	F46 A48 F60 M69 E87 T88 Q94 S95	F46-V91 HydrophobicContact CE1-CB 4.07Å; A48-V91 HydrophobicContact CB-CG1 4.16Å; F60-V91 HydrophobicContact CB-CG2 4.02Å; F60-V91 HydrophobicContact CD1-CG2 4.14Å; F60-V91 HydrophobicContact CD2-CG2 3.37Å; F60-V91 HydrophobicContact CE1-CG2 4.47Å; F60-V91 HydrophobicContact CE2-CG2 3.76Å; F60-V91 HydrophobicContact CG-CB 4.3Å; F60-V91 HydrophobicContact CG-CG2 3.58Å; F60-V91 HydrophobicContact CZ-CG2 4.31Å; M69-V91 HydrophobicContact CE-CB 4.42Å; M69-V91 HydrophobicContact CE-CG1 3.37Å; M69-V91 HydrophobicContact CE-CG2 4.25Å; E87-V91 WeakPolarHBondContact O-CG2 3.44Å; E87-V91 PolarHBondContact O-N 2.66Å; T88-V91 WeakPolarHBondContact O-CG2 3.39Å; V91-Q94 PolarHBondContact O-N 2.89Å; V91-S95 WeakPolarHBondContact O-CB 3.35Å; V91-S95 PolarHBondContact O-N 3.29Å
92	K	98.3	Very high	98.1	Very high	83 Å²	83	60 Å²	60	36%	0.361	30%	0.296	S	S	.	.	H	α-helix	trans	-66.8	-41	171.6	-76.9	-174.9	179.2	-175.9	0	112	F60 Q67 T88 R89 N90 S95 Q96	F60-K92 HydrophobicContact CE2-CG 4.21Å; F60-K92 HydrophobicContact CZ-CG 4.08Å; Q67-K92 WeakPolarHBondContact O-CE 3.47Å; Q67-K92 PolarHBondContact O-NZ 3.48Å; T88-K92 HydrophobicContact CG2-CD 4.19Å; T88-K92 WeakPolarHBondContact O-CB 3.38Å; T88-K92 WeakPolarHBondContact O-CG 3.5Å; T88-K92 PolarHBondContact O-N 3Å; T88-K92 VanDerWaalsContact O-N 3.08Å; R89-K92 PolarHBondContact O-N 3.45Å; N90-K92 PolarHBondContact O-N 3.41Å; K92-S95 PolarHBondContact O-N 3.07Å; K92-Q96 WeakPolarHBondContact O-CG 3.2Å; K92-Q96 PolarHBondContact O-N 3.44Å; K92-Q96 VanDerWaalsContact O-N 3.16Å
93	A	98.3	Very high	98	Very high	58 Å²	58	53.8 Å²	53.8	48%	0.479	28%	0.277	S	S	.	.	H	α-helix	trans	-64.1	-41.7	175	0	0	0	0	0	111.5	R89 N90 Q96 T97	R89-A93 WeakPolarHBondContact O-CB 3.48Å; R89-A93 PolarHBondContact O-N 3.29Å; N90-A93 PolarHBondContact O-N 3Å; A93-Q96 PolarHBondContact O-N 3.36Å; A93-T97 PolarHBondContact O-N 2.99Å; A93-T97 VanDerWaalsContact O-N 3.08Å; A93-T97 PolarHBondContact O-OG1 3.37Å
94	Q	98.2	Very high	98	Very high	41 Å²	41	55.2 Å²	55.2	19%	0.192	29%	0.288	C	S	.	.	H	α-helix	trans	-62.9	-45.3	174.3	-171.7	66.8	54.2	0	0	111.7	Y33 F46 N90 V91 Q96 T97 D98	Y33-Q94 HydrophobicContact CD2-CG 3.64Å; Y33-Q94 HydrophobicContact CE2-CB 4.28Å; Y33-Q94 HydrophobicContact CE2-CG 3.66Å; F46-Q94 HydrophobicContact CE2-CB 4.34Å; F46-Q94 HydrophobicContact CE2-CG 3.92Å; F46-Q94 HydrophobicContact CZ-CB 4.19Å; F46-Q94 HydrophobicContact CZ-CG 4.07Å; N90-Q94 PolarHBondContact O-N 3.39Å; V91-Q94 PolarHBondContact O-N 2.89Å; Q94-Q96 PolarHBondContact O-N 3.35Å; Q94-T97 CarbonylContact O-C 3.59Å; Q94-T97 WeakPolarHBondContact O-CA 3.02Å; Q94-T97 WeakPolarHBondContact O-CB 3.3Å; Q94-T97 PolarHBondContact O-N 3.32Å; Q94-D98 PolarHBondContact NE2-OD1 2.99Å; Q94-D98 PolarHBondContact O-N 3.11Å
95	S	97.9	Very high	98	Very high	20 Å²	20	53.9 Å²	53.9	14%	0.14	28%	0.283	C	S	.	.	H	α-helix	trans	-53.8	-39.7	175.7	160.1	0	0	0	0	113	V91 K92 R99	V91-S95 WeakPolarHBondContact O-CB 3.35Å; V91-S95 PolarHBondContact O-N 3.29Å; K92-S95 PolarHBondContact O-N 3.07Å; S95-R99 PolarHBondContact O-N 3.18Å; S95-R99 VanDerWaalsContact O-N 3.13Å
96	Q	97.9	Very high	97.9	Very high	99 Å²	99	53.2 Å²	53.2	46%	0.463	27%	0.274	S	S	.	.	H	α-helix	trans	-71.6	-34.8	175.7	-64.8	-54	-56.3	0	0	112.6	K92 A93 Q94 R99 V100	K92-Q96 WeakPolarHBondContact O-CG 3.2Å; K92-Q96 PolarHBondContact O-N 3.44Å; K92-Q96 VanDerWaalsContact O-N 3.16Å; A93-Q96 PolarHBondContact O-N 3.36Å; Q94-Q96 PolarHBondContact O-N 3.35Å; Q96-R99 PolarHBondContact O-N 2.92Å; Q96-V100 PolarHBondContact O-N 3.48Å
97	T	98.1	Very high	97.9	Very high	66 Å²	66	51.5 Å²	51.5	41%	0.405	28%	0.278	S	S	.	.	H	α-helix	trans	-64.2	-52.1	175.1	-55.3	0	0	0	0	110.1	A93 Q94 R99 V100 D101	A93-T97 PolarHBondContact O-N 2.99Å; A93-T97 VanDerWaalsContact O-N 3.08Å; A93-T97 PolarHBondContact O-OG1 3.37Å; Q94-T97 CarbonylContact O-C 3.59Å; Q94-T97 WeakPolarHBondContact O-CA 3.02Å; Q94-T97 WeakPolarHBondContact O-CB 3.3Å; Q94-T97 PolarHBondContact O-N 3.32Å; T97-R99 PolarHBondContact O-N 3.41Å; T97-V100 WeakPolarHBondContact O-CB 3.46Å; T97-V100 PolarHBondContact O-N 2.94Å; T97-D101 PolarHBondContact O-N 2.92Å
98	D	97.9	Very high	97.9	Very high	0 Å²	0	53.1 Å²	53.1	0%	0	28%	0.283	C	S	.	.	H	α-helix	trans	-58.8	-34.7	178.1	-75.4	24.4	0	0	0	112.3	S35 F46 Q94 D101 L102	S35-D98 WeakPolarHBondContact CB-OD2 3.34Å; S35-D98 WeakPolarHBondContact OG-CB 3.29Å; S35-D98 PolarHBondContact OG-OD2 2.91Å; F46-D98 HydrophobicContact CD2-CB 4.5Å; F46-D98 WeakPolarHBondContact CE2-OD2 3.49Å; Q94-D98 PolarHBondContact NE2-OD1 2.99Å; Q94-D98 PolarHBondContact O-N 3.11Å; D98-D101 PolarHBondContact O-N 3.22Å; D98-L102 WeakPolarHBondContact O-CB 3.38Å; D98-L102 WeakPolarHBondContact O-CG 3.08Å; D98-L102 PolarHBondContact O-N 2.66Å
99	R	97.6	Very high	97.8	Very high	102 Å²	102	55.8 Å²	55.8	39%	0.385	29%	0.292	S	S	.	.	H	α-helix	trans	-59.9	-46.8	173.8	179.1	177.5	80.9	161.2	7.3	111.8	E43 P44 S95 Q96 T97 D101 G103	E43-R99 IonicContact OE1-NH1 2.74Å; E43-R99 PolarHBondContact OE1-NH1 3.17Å; E43-R99 WeakPolarHBondContact OE2-CD 3.3Å; E43-R99 IonicContact OE2-CZ 3.66Å; E43-R99 IonicContact OE2-NE 3.24Å; E43-R99 IonicContact OE2-NH1 3.66Å; E43-R99 PolarHBondContact OE2-NH1 3.45Å; P44-R99 HydrophobicContact CG-CB 4.5Å; P44-R99 HydrophobicContact CG-CG 4.15Å; S95-R99 PolarHBondContact O-N 3.18Å; S95-R99 VanDerWaalsContact O-N 3.13Å; Q96-R99 PolarHBondContact O-N 2.92Å; T97-R99 PolarHBondContact O-N 3.41Å; R99-D101 VanDerWaalsContact C-N 3.33Å; R99-G103 PolarHBondContact O-N 3.17Å
100	V	97.9	Very high	97.8	Very high	90 Å²	90	55.9 Å²	55.9	55%	0.545	30%	0.304	S	S	.	.	H	α-helix	trans	-68.1	-38.9	178.7	175.7	0	0	0	0	110.2	Q96 T97 G103 T104	Q96-V100 PolarHBondContact O-N 3.48Å; T97-V100 WeakPolarHBondContact O-CB 3.46Å; T97-V100 PolarHBondContact O-N 2.94Å; V100-G103 PolarHBondContact O-N 2.86Å; V100-T104 PolarHBondContact O-N 3.08Å; V100-T104 PolarHBondContact O-OG1 2.82Å
101	D	98.1	Very high	97.7	Very high	59 Å²	59	55.9 Å²	55.9	32%	0.316	30%	0.302	S	S	.	.	H	α-helix	trans	-66.3	-38.4	179.2	-69.4	-19.7	0	0	0	111.8	T97 D98 R99 G103 T104 L105 I119	T97-D101 PolarHBondContact O-N 2.92Å; D98-D101 PolarHBondContact O-N 3.22Å; R99-D101 VanDerWaalsContact C-N 3.33Å; D101-G103 VanDerWaalsContact C-N 3.3Å; D101-G103 PolarHBondContact O-N 2.89Å; D101-T104 PolarHBondContact O-N 2.9Å; D101-T104 VanDerWaalsContact O-N 3.09Å; D101-L105 WeakPolarHBondContact O-CB 3.48Å; D101-L105 VanDerWaalsContact O-CG 3.3Å; D101-L105 WeakPolarHBondContact O-CG 3.17Å; D101-L105 PolarHBondContact O-N 3.31Å; D101-I119 HydrophobicContact CB-CD1 3.69Å
102	L	98.1	Very high	97.6	Very high	10 Å²	10	59.5 Å²	59.5	5%	0.052	33%	0.327	C	S	.	.	H	α-helix	trans	-56.5	-43.8	173.3	-81.4	164.7	0	0	0	111.7	P44 D98 R106 H117 I119 Y142	P44-L102 HydrophobicContact CB-CD1 3.58Å; P44-L102 HydrophobicContact CG-CD1 3.65Å; D98-L102 WeakPolarHBondContact O-CB 3.38Å; D98-L102 WeakPolarHBondContact O-CG 3.08Å; D98-L102 PolarHBondContact O-N 2.66Å; L102-R106 VanDerWaalsContact O-CB 3.28Å; L102-R106 WeakPolarHBondContact O-CB 3.31Å; L102-R106 PolarHBondContact O-N 3.15Å; L102-R106 VanDerWaalsContact O-N 3.12Å; L102-H117 HydrophobicContact CD2-CB 4.07Å; L102-I119 HydrophobicContact CB-CD1 4.4Å; L102-I119 HydrophobicContact CD2-CD1 3.98Å; L102-I119 HydrophobicContact CD2-CG1 3.77Å; L102-I119 HydrophobicContact CG-CD1 3.73Å; L102-I119 HydrophobicContact CG-CG1 4.08Å; L102-Y142 HydrophobicContact CD2-CE2 4.36Å
103	G	96.4	Very high	97.2	Very high	36 Å²	36	61.6 Å²	61.6	37%	0.371	34%	0.339	S	S	.	.	H	α-helix	trans	-67.4	-38.6	175.5	0	0	0	0	0	112.9	R99 V100 D101 G107	R99-G103 PolarHBondContact O-N 3.17Å; V100-G103 PolarHBondContact O-N 2.86Å; D101-G103 VanDerWaalsContact C-N 3.3Å; D101-G103 PolarHBondContact O-N 2.89Å; G103-G107 PolarHBondContact O-N 3.27Å
104	T	97.8	Very high	96.8	Very high	46 Å²	46	65.9 Å²	65.9	28%	0.282	35%	0.353	S	S	.	.	H	α-helix	trans	-66.8	-48.1	179.2	-60.4	0	0	0	0	111.7	V100 D101 G107 Y108	V100-T104 PolarHBondContact O-N 3.08Å; V100-T104 PolarHBondContact O-OG1 2.82Å; D101-T104 PolarHBondContact O-N 2.9Å; D101-T104 VanDerWaalsContact O-N 3.09Å; T104-G107 WeakPolarHBondContact O-CA 3.26Å; T104-G107 PolarHBondContact O-N 3.01Å; T104-G107 VanDerWaalsContact O-N 3.16Å; T104-Y108 HydrophobicContact CG2-CD1 4.45Å; T104-Y108 HydrophobicContact CG2-CD2 4.36Å; T104-Y108 HydrophobicContact CG2-CE1 3.87Å; T104-Y108 HydrophobicContact CG2-CE2 3.76Å; T104-Y108 VanDerWaalsContact CG2-CZ 3.48Å; T104-Y108 PolarHBondContact O-N 2.98Å
105	L	98.1	Very high	96.6	Very high	12 Å²	12	64.9 Å²	64.9	6%	0.063	35%	0.354	C	S	.	.	H	α-helix	trans	-64.1	-44.2	179.2	-68.2	175.5	0	0	0	111.1	D101 G107 Y108 Y109 I119 Y142 Y147	D101-L105 WeakPolarHBondContact O-CB 3.48Å; D101-L105 VanDerWaalsContact O-CG 3.3Å; D101-L105 WeakPolarHBondContact O-CG 3.17Å; D101-L105 PolarHBondContact O-N 3.31Å; L105-G107 PolarHBondContact O-N 3.08Å; L105-Y108 HydrophobicContact CD2-CD2 4.32Å; L105-Y108 PolarHBondContact O-N 3Å; L105-Y109 HydrophobicContact CD2-CE2 4.49Å; L105-Y109 VanDerWaalsContact O-CD2 3.24Å; L105-Y109 WeakPolarHBondContact O-CD2 3.33Å; L105-Y109 PolarHBondContact O-N 3.22Å; L105-I119 HydrophobicContact CD1-CD1 3.6Å; L105-I119 HydrophobicContact CD1-CG1 3.72Å; L105-Y142 HydrophobicContact CB-CD1 4.48Å; L105-Y142 HydrophobicContact CB-CD2 4.11Å; L105-Y142 HydrophobicContact CB-CE1 4.15Å; L105-Y142 HydrophobicContact CB-CE2 3.73Å; L105-Y142 HydrophobicContact CB-CG 4.45Å; L105-Y142 HydrophobicContact CD1-CD2 3.43Å; L105-Y142 VanDerWaalsContact CD1-CD2 3.43Å; L105-Y142 HydrophobicContact CD1-CE2 3.83Å; L105-Y142 HydrophobicContact CD1-CG 3.89Å; L105-Y142 HydrophobicContact CG-CD2 4.38Å; L105-Y142 HydrophobicContact CG-CE2 4.44Å; L105-Y147 HydrophobicContact CD2-CD2 4.34Å; L105-Y147 HydrophobicContact CD2-CE1 3.81Å; L105-Y147 HydrophobicContact CD2-CE2 3.57Å; L105-Y147 VanDerWaalsContact CD2-OH 3.24Å; L105-Y147 WeakPolarHBondContact CD2-OH 3.19Å
106	R	97.1	Very high	96.6	Very high	71 Å²	71	67.4 Å²	67.4	27%	0.268	37%	0.372	S	S	.	.	H	α-helix	trans	-52.2	-42.8	172.4	-172.2	-173.2	68.8	175.3	10.4	111.8	L102 N110 Q111 E113	L102-R106 VanDerWaalsContact O-CB 3.28Å; L102-R106 WeakPolarHBondContact O-CB 3.31Å; L102-R106 PolarHBondContact O-N 3.15Å; L102-R106 VanDerWaalsContact O-N 3.12Å; R106-N110 PolarHBondContact O-N 2.8Å; R106-N110 VanDerWaalsContact O-N 3.13Å; R106-Q111 HydrophobicContact CG-CB 3.77Å; R106-Q111 PolarHBondContact O-N 3.44Å; R106-E113 IonicContact CZ-OE1 3.88Å; R106-E113 IonicContact NH1-OE1 2.75Å; R106-E113 IonicContact NH2-OE1 3.72Å; R106-E113 PolarHBondContact NH2-OE1 3.08Å
107	G	97.2	Very high	96.6	Very high	42 Å²	42	63.4 Å²	63.4	43%	0.433	35%	0.353	S	S	.	.	H	α-helix	trans	-64.7	-44.7	174.4	0	0	0	0	0	113.4	G103 T104 L105 Y109 N110	G103-G107 PolarHBondContact O-N 3.27Å; T104-G107 WeakPolarHBondContact O-CA 3.26Å; T104-G107 PolarHBondContact O-N 3.01Å; T104-G107 VanDerWaalsContact O-N 3.16Å; L105-G107 PolarHBondContact O-N 3.08Å; G107-Y109 VanDerWaalsContact C-N 3.27Å; G107-Y109 PolarHBondContact O-N 3.3Å; G107-N110 PolarHBondContact O-N 2.82Å; G107-N110 VanDerWaalsContact O-N 3.16Å
108	Y	97.9	Very high	96.6	Very high	58 Å²	58	61.9 Å²	61.9	23%	0.227	34%	0.344	C	S	.	.	H	α-helix	trans	-61.7	-35.3	178.7	-68.6	-7.8	0	0	0	113.1	T104 L105 I166 K170	T104-Y108 HydrophobicContact CG2-CD1 4.45Å; T104-Y108 HydrophobicContact CG2-CD2 4.36Å; T104-Y108 HydrophobicContact CG2-CE1 3.87Å; T104-Y108 HydrophobicContact CG2-CE2 3.76Å; T104-Y108 VanDerWaalsContact CG2-CZ 3.48Å; T104-Y108 PolarHBondContact O-N 2.98Å; L105-Y108 HydrophobicContact CD2-CD2 4.32Å; L105-Y108 PolarHBondContact O-N 3Å; Y108-I166 HydrophobicContact CD1-CD1 4.21Å; Y108-I166 HydrophobicContact CD2-CD1 4.35Å; Y108-I166 HydrophobicContact CE1-CD1 4.35Å; Y108-I166 HydrophobicContact CE1-CG2 4.27Å; Y108-I166 HydrophobicContact CE2-CB 4.04Å; Y108-I166 HydrophobicContact CE2-CD1 4.47Å; Y108-I166 HydrophobicContact CE2-CG2 3.9Å; Y108-I166 HydrophobicContact CG-CD1 4.21Å; Y108-I166 WeakPolarHBondContact OH-CG2 3.01Å; Y108-K170 WeakPolarHBondContact OH-CE 3.39Å; Y108-K170 PolarHBondContact OH-NZ 2.92Å
109	Y	97.8	Very high	96.7	Very high	69 Å²	69	62.2 Å²	62.2	27%	0.271	35%	0.345	S	S	.	.	T	Hydrogen-bonded Turn	trans	-92	3.2	178.7	-68.8	-72.2	0	0	0	114	L105 G107 Q111 Y142 Y147 D161 A163	L105-Y109 HydrophobicContact CD2-CE2 4.49Å; L105-Y109 VanDerWaalsContact O-CD2 3.24Å; L105-Y109 WeakPolarHBondContact O-CD2 3.33Å; L105-Y109 PolarHBondContact O-N 3.22Å; G107-Y109 VanDerWaalsContact C-N 3.27Å; G107-Y109 PolarHBondContact O-N 3.3Å; Y109-Q111 PolarHBondContact O-N 3.19Å; Y109-Y142 AromaticContact CD2-CD1 3.76Å; Y109-Y142 HydrophobicContact CD2-CD1 3.76Å; Y109-Y142 AromaticContact CD2-CE1 3.52Å; Y109-Y142 HydrophobicContact CD2-CE1 3.52Å; Y109-Y142 AromaticContact CE2-CD1 3.53Å; Y109-Y142 HydrophobicContact CE2-CD1 3.53Å; Y109-Y142 AromaticContact CE2-CE1 3.82Å; Y109-Y142 HydrophobicContact CE2-CE1 3.82Å; Y109-Y142 HydrophobicContact CE2-CG 4.47Å; Y109-Y142 HydrophobicContact CG-CE1 4.42Å; Y109-Y147 HydrophobicContact CE2-CD2 4.44Å; Y109-Y147 HydrophobicContact CE2-CE2 4.15Å; Y109-Y147 WeakPolarHBondContact OH-CD2 3.34Å; Y109-Y147 WeakPolarHBondContact OH-CE2 3.37Å; Y109-D161 WeakPolarHBondContact CE1-OD2 3.48Å; Y109-D161 VanDerWaalsContact CZ-OD2 3.31Å; Y109-D161 VanDerWaalsContact OH-CG 3.23Å; Y109-D161 PolarHBondContact OH-OD1 3.46Å; Y109-D161 PolarHBondContact OH-OD2 2.92Å; Y109-A163 HydrophobicContact CD1-CB 4.18Å; Y109-A163 HydrophobicContact CD2-CB 4.45Å; Y109-A163 HydrophobicContact CE1-CB 3.61Å; Y109-A163 HydrophobicContact CE2-CB 3.9Å; Y109-A163 VanDerWaalsContact CZ-CB 3.45Å
110	N	96.8	Very high	96.7	Very high	151 Å²	151	61.3 Å²	61.3	81%	0.807	35%	0.345	S	S	*	.	T	Hydrogen-bonded Turn	trans	51.3	40.8	-176.2	-56.5	-60.5	0	0	0	113.1	R106 G107	R106-N110 PolarHBondContact O-N 2.8Å; R106-N110 VanDerWaalsContact O-N 3.13Å; G107-N110 PolarHBondContact O-N 2.82Å; G107-N110 VanDerWaalsContact O-N 3.16Å
111	Q	96.9	Very high	96.8	Very high	61 Å²	61	57.2 Å²	57.2	29%	0.285	32%	0.32	S	S	.	.			trans	-85.5	154.9	-177.6	-70.4	168.3	-37	0	0	111.6	R106 Y109 H117 Y142 D143	R106-Q111 HydrophobicContact CG-CB 3.77Å; R106-Q111 PolarHBondContact O-N 3.44Å; Y109-Q111 PolarHBondContact O-N 3.19Å; Q111-H117 PolarHBondContact NE2-CE1 2.87Å; Q111-H117 PolarHBondContact OE1-CE1 3.24Å; Q111-H117 VanDerWaalsContact OE1-CE1 3.23Å; Q111-H117 PolarHBondContact OE1-ND1 3.35Å; Q111-Y142 PolarHBondContact OE1-OH 3.38Å; Q111-D143 PolarHBondContact NE2-OD2 2.63Å
112	S	94.4	Very high	96.8	Very high	76 Å²	76	55.7 Å²	55.7	53%	0.531	31%	0.312	S	S	.	.			trans	-72	156.4	-179.6	64.6	0	0	0	0	112.5	D114	S112-D114 VanDerWaalsContact C-N 3.3Å; S112-D114 PolarHBondContact O-N 3.5Å
113	E	90.6	Very high	96.8	Very high	127 Å²	127	56.3 Å²	56.3	59%	0.593	31%	0.314	S	S	*	.	T	Hydrogen-bonded Turn	trans	-73.2	-23.7	179.6	-56.3	-154.2	125.3	0	0	113.8	P39 R106 G115	P39-E113 WeakPolarHBondContact CB-O 3.45Å; P39-E113 VanDerWaalsContact CG-O 3.24Å; P39-E113 WeakPolarHBondContact CG-O 3.46Å; R106-E113 IonicContact CZ-OE1 3.88Å; R106-E113 IonicContact NH1-OE1 2.75Å; R106-E113 IonicContact NH2-OE1 3.72Å; R106-E113 PolarHBondContact NH2-OE1 3.08Å; E113-G115 VanDerWaalsContact C-N 3.27Å; E113-G115 PolarHBondContact O-N 3.34Å
114	D	91.3	Very high	96.9	Very high	148 Å²	148	54.6 Å²	54.6	79%	0.791	30%	0.296	S	S	*	.	T	Hydrogen-bonded Turn	trans	-80	-10.3	-178.6	-57.7	-40.6	0	0	0	112.8	S112	S112-D114 VanDerWaalsContact C-N 3.3Å; S112-D114 PolarHBondContact O-N 3.5Å
115	G	93	Very high	97	Very high	20 Å²	20	52.4 Å²	52.4	21%	0.206	28%	0.283	C	S	.	.			trans	-75.4	132.5	178.5	0	0	0	0	0	113	P39 E113 H117	P39-G115 VanDerWaalsContact CG-O 3.25Å; P39-G115 WeakPolarHBondContact CG-O 3.37Å; E113-G115 VanDerWaalsContact C-N 3.27Å; E113-G115 PolarHBondContact O-N 3.34Å; G115-H117 PolarHBondContact O-CD2 2.74Å; G115-H117 VanDerWaalsContact O-CD2 3.24Å
116	S	97.3	Very high	97	Very high	73 Å²	73	53.2 Å²	53.2	51%	0.51	29%	0.287	S	S	.	.			trans	-81.2	133.6	165.6	-179.3	0	0	0	0	109.1	S37	S37-S116 WeakPolarHBondContact O-CB 3.4Å; S37-S116 PolarHBondContact O-OG 3.04Å
117	H	98.3	Very high	97	Very high	15 Å²	15	49.9 Å²	49.9	7%	0.069	27%	0.274	C	S	.	.			trans	-131.1	152.6	-175.9	-65.5	-69.2	0	0	0	110.3	V36 S37 L102 Q111 G115 Y142 D143	V36-H117 WeakPolarHBondContact CA-O 3.17Å; S37-H117 PolarHBondContact N-O 2.85Å; S37-H117 PolarHBondContact OG-N 3.07Å; S37-H117 PolarHBondContact OG-O 3.12Å; L102-H117 HydrophobicContact CD2-CB 4.07Å; Q111-H117 PolarHBondContact NE2-CE1 2.87Å; Q111-H117 PolarHBondContact OE1-CE1 3.24Å; Q111-H117 VanDerWaalsContact OE1-CE1 3.23Å; Q111-H117 PolarHBondContact OE1-ND1 3.35Å; G115-H117 PolarHBondContact O-CD2 2.74Å; G115-H117 VanDerWaalsContact O-CD2 3.24Å; H117-Y142 HydrophobicContact CB-CE2 3.87Å; H117-Y142 WeakPolarHBondContact CB-OH 3.28Å; H117-Y142 AromaticContact CG-CZ 3.98Å; H117-Y142 AromaticContact ND1-CZ 3.91Å; H117-Y142 PolarHBondContact ND1-OH 2.7Å; H117-D143 WeakPolarHBondContact CA-OD1 3.46Å; H117-D143 IonicContact CE1-OD2 3.46Å; H117-D143 IonicContact CG-OD1 2.71Å; H117-D143 IonicContact CG-OD2 3.23Å; H117-D143 IonicContact ND1-OD1 3.66Å; H117-D143 PolarHBondContact ND1-OD1 3.11Å; H117-D143 IonicContact ND1-OD2 2.82Å; H117-D143 PolarHBondContact ND1-OD2 3.04Å
118	T	98.7	Very high	96.9	Very high	34 Å²	34	48 Å²	48	21%	0.209	26%	0.255	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-126.4	129.5	-176	-54.4	0	0	0	0	111.2	T34 S35 V36 Q120 Y142 D143	T34-T118 HydrophobicContact CG2-CG2 3.96Å; S35-T118 CarbonylContact O-C 3.55Å; S35-T118 VanDerWaalsContact O-CA 3.29Å; S35-T118 WeakPolarHBondContact O-CA 3.35Å; V36-T118 HydrophobicContact CG2-CG2 4.14Å; T118-Q120 HydrophobicContact CG2-CG 3.93Å; T118-Y142 CarbonylContact O-C 3.56Å; T118-Y142 WeakPolarHBondContact O-CA 3.27Å; T118-Y142 WeakPolarHBondContact O-CD2 3.46Å; T118-D143 PolarHBondContact N-OD1 3.34Å; T118-D143 PolarHBondContact O-N 3.29Å
119	I	98.8	Very high	96.6	Very high	7 Å²	7	50.2 Å²	50.2	4%	0.036	28%	0.277	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-103.9	134.5	162.9	-66	174	0	0	0	108	T34 S35 D101 L102 L105 I121 A141 Y142	T34-I119 WeakPolarHBondContact CA-O 3.26Å; S35-I119 PolarHBondContact N-O 2.95Å; S35-I119 PolarHBondContact O-N 2.89Å; D101-I119 HydrophobicContact CB-CD1 3.69Å; L102-I119 HydrophobicContact CB-CD1 4.4Å; L102-I119 HydrophobicContact CD2-CD1 3.98Å; L102-I119 HydrophobicContact CD2-CG1 3.77Å; L102-I119 HydrophobicContact CG-CD1 3.73Å; L102-I119 HydrophobicContact CG-CG1 4.08Å; L105-I119 HydrophobicContact CD1-CD1 3.6Å; L105-I119 HydrophobicContact CD1-CG1 3.72Å; I119-I121 HydrophobicContact CG2-CD1 4.25Å; I119-I121 HydrophobicContact CG2-CG1 4.04Å; I119-A141 WeakPolarHBondContact CA-O 3.43Å; I119-Y142 HydrophobicContact CG1-CD2 3.87Å; I119-Y142 HydrophobicContact CG1-CE2 4.32Å
120	Q	98.8	Very high	96.3	Very high	82 Å²	82	51.4 Å²	51.4	38%	0.383	29%	0.288	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-124.4	136.4	171.4	-63.6	173.6	-96.5	0	0	109.2	Y33 T34 T118 D140 A141	Y33-Q120 CarbonylContact O-C 3.57Å; Y33-Q120 VanDerWaalsContact O-CA 3.3Å; Y33-Q120 WeakPolarHBondContact O-CA 3.47Å; T34-Q120 HydrophobicContact CG2-CG 4.2Å; T118-Q120 HydrophobicContact CG2-CG 3.93Å; Q120-D140 CarbonylContact O-C 3.6Å; Q120-D140 WeakPolarHBondContact O-CA 3.37Å; Q120-A141 HydrophobicContact CB-CB 4.32Å; Q120-A141 PolarHBondContact N-O 3.49Å; Q120-A141 PolarHBondContact O-N 3.23Å
121	I	98.7	Very high	96.1	Very high	4 Å²	4	44.9 Å²	44.9	2%	0.021	26%	0.256	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-128.9	132.2	179.1	-61.6	165.8	0	0	0	108	F32 Y33 I119 Y123 R138 Q139 D140	F32-I121 CarbonylContact C-O 3.59Å; F32-I121 WeakPolarHBondContact CA-O 3.46Å; Y33-I121 PolarHBondContact N-O 2.92Å; Y33-I121 PolarHBondContact O-N 3.47Å; I119-I121 HydrophobicContact CG2-CD1 4.25Å; I119-I121 HydrophobicContact CG2-CG1 4.04Å; I121-Y123 HydrophobicContact CG2-CD1 4.12Å; I121-R138 VanDerWaalsContact CG2-NH1 3.35Å; I121-Q139 CarbonylContact C-O 3.57Å; I121-Q139 WeakPolarHBondContact CA-O 3.03Å; I121-D140 HydrophobicContact CG1-CB 4.38Å
122	M	98.7	Very high	96.1	Very high	28 Å²	28	50.1 Å²	50.1	14%	0.138	27%	0.273	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-122.3	129.4	167.9	-177.3	-80.8	-67.3	0	0	109.3	Y31 F32 Y137 R138 Q139	Y31-M122 WeakPolarHBondContact O-CA 3.42Å; F32-M122 HydrophobicContact CD1-CB 3.92Å; F32-M122 HydrophobicContact CD1-CG 3.67Å; F32-M122 HydrophobicContact CE1-CB 4.05Å; F32-M122 HydrophobicContact CE1-CG 3.36Å; F32-M122 HydrophobicContact CZ-CG 4.02Å; M122-Y137 HydrophobicContact CE-CD1 4.26Å; M122-Y137 HydrophobicContact CE-CG 4.34Å; M122-Y137 HydrophobicContact SD-CG 4.47Å; M122-R138 CarbonylContact O-C 3.59Å; M122-R138 WeakPolarHBondContact O-CA 3.45Å; M122-Q139 HydrophobicContact CE-CB 4.42Å; M122-Q139 HydrophobicContact CE-CG 4.2Å; M122-Q139 PolarHBondContact N-O 2.97Å; M122-Q139 PolarHBondContact O-N 3.35Å
123	Y	98.7	Very high	96.2	Very high	23 Å²	23	49.4 Å²	49.4	9%	0.09	26%	0.261	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-146.5	157.8	170.9	72	-85.4	0	0	0	111.3	Y31 Y33 I121 Y137 Y183	Y31-Y123 VanDerWaalsContact CB-CZ 3.46Å; Y31-Y123 AromaticContact CD2-CE2 3.73Å; Y31-Y123 HydrophobicContact CD2-CE2 3.73Å; Y31-Y123 AromaticContact CD2-CZ 3.78Å; Y31-Y123 HydrophobicContact CG-CE1 4.29Å; Y31-Y123 HydrophobicContact CG-CE2 4.16Å; Y31-Y123 AromaticContact CG-CZ 3.73Å; Y31-Y123 PolarHBondContact N-O 3.31Å; Y31-Y123 PolarHBondContact O-N 3.47Å; Y31-Y123 VanDerWaalsContact O-N 3.09Å; Y33-Y123 HydrophobicContact CD2-CE1 4.18Å; Y33-Y123 HydrophobicContact CE1-CE1 4.12Å; Y33-Y123 AromaticContact CE2-CE1 3.56Å; Y33-Y123 HydrophobicContact CE2-CE1 3.56Å; Y33-Y123 AromaticContact CZ-CE1 3.55Å; Y33-Y123 AromaticContact CZ-CZ 3.94Å; Y33-Y123 PolarHBondContact OH-OH 2.98Å; I121-Y123 HydrophobicContact CG2-CD1 4.12Å; Y123-Y137 CarbonylContact C-O 3.55Å; Y123-Y137 WeakPolarHBondContact CA-O 3.23Å; Y123-Y137 VanDerWaalsContact CB-O 3.26Å; Y123-Y137 WeakPolarHBondContact CB-O 3.29Å; Y123-Y183 AromaticContact CD2-CE1 3.77Å; Y123-Y183 HydrophobicContact CD2-CE1 3.77Å; Y123-Y183 AromaticContact CE2-CE1 3.62Å; Y123-Y183 HydrophobicContact CE2-CE1 3.62Å; Y123-Y183 AromaticContact CE2-CZ 3.91Å
124	G	98.6	Very high	96.6	Very high	0 Å²	0	48.4 Å²	48.4	0%	0	26%	0.259	C	S	.	.	E	Extended strand (participates in β ladder)	trans	160.4	-177.7	-176.9	0	0	0	0	0	113.8	M29 G136 Y137 L184	M29-G124 CarbonylContact O-C 3.56Å; M29-G124 WeakPolarHBondContact O-CA 3.31Å; G124-G136 CarbonylContact O-C 3.57Å; G124-G136 WeakPolarHBondContact O-CA 3.32Å; G124-Y137 PolarHBondContact N-O 3.33Å; G124-Y137 PolarHBondContact O-N 3.49Å; G124-L184 VanDerWaalsContact O-CD2 3.24Å; G124-L184 WeakPolarHBondContact O-CD2 3.31Å
125	C	98.6	Very high	96.8	Very high	0 Å²	0	45.6 Å²	45.6	0%	0	24%	0.237	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-136.2	152.1	-175.7	56.4	0	0	0	0	111.3	S28 M29 F133 R135 C188	S28-C125 WeakPolarHBondContact CA-O 3.33Å; M29-C125 PolarHBondContact N-O 3.42Å; M29-C125 PolarHBondContact O-N 3.38Å; C125-F133 HydrophobicContact CB-CD2 4.36Å; C125-F133 HydrophobicContact CB-CE2 4.07Å; C125-R135 CarbonylContact C-O 3.59Å; C125-R135 VanDerWaalsContact CA-O 3.3Å; C125-R135 WeakPolarHBondContact CA-O 3.47Å; C125-C188 HydrophobicContact CB-CB 3.9Å; C125-C188 WeakPolarHBondContact CB-SG 3.29Å; C125-C188 PolarHBondContact N-SG 2.92Å; C125-C188 WeakPolarHBondContact SG-CB 3.32Å; C125-C188 CovalentContact SG-SG 2.04Å; C125-C188 PolarHBondContact SG-SG 2.81Å
126	D	98.3	Very high	97.1	Very high	29 Å²	29	44.9 Å²	44.9	16%	0.155	23%	0.23	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-113.5	141.4	173.1	-61.4	-3.7	0	0	0	109.1	H27 S28 R30 L134 R135 Y137	H27-D126 CarbonylContact O-C 3.6Å; H27-D126 WeakPolarHBondContact O-CA 3.37Å; S28-D126 WeakPolarHBondContact CB-OD1 3.46Å; R30-D126 IonicContact CZ-OD1 3.74Å; R30-D126 IonicContact NE-OD1 2.69Å; R30-D126 PolarHBondContact NE-OD1 3.14Å; R30-D126 VanDerWaalsContact NH2-CG 3.32Å; R30-D126 IonicContact NH2-OD1 3.66Å; R30-D126 PolarHBondContact NH2-OD1 3.19Å; R30-D126 IonicContact NH2-OD2 3.92Å; R30-D126 PolarHBondContact NH2-OD2 3.18Å; R30-D126 VanDerWaalsContact NH2-OD2 3.08Å; D126-L134 HydrophobicContact CB-CB 4.42Å; D126-L134 PolarHBondContact O-N 3.48Å; D126-R135 HydrophobicContact CB-CB 4.44Å; D126-R135 PolarHBondContact N-O 3.37Å; D126-R135 PolarHBondContact O-N 2.97Å; D126-Y137 VanDerWaalsContact OD2-CE2 3.31Å; D126-Y137 WeakPolarHBondContact OD2-CE2 3.4Å; D126-Y137 PolarHBondContact OD2-OH 2.89Å
127	V	97.6	Very high	97.1	Very high	1 Å²	1	43 Å²	43	1%	0.006	21%	0.212	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-125.2	147.2	176.2	-61.7	0	0	0	0	110.7	S26 H27 R132 V189 L192 L196	S26-V127 CarbonylContact C-O 3.51Å; S26-V127 VanDerWaalsContact CA-O 3.3Å; S26-V127 WeakPolarHBondContact CA-O 3.14Å; S26-V127 WeakPolarHBondContact CB-O 3.23Å; H27-V127 HydrophobicContact CB-CG2 3.99Å; H27-V127 PolarHBondContact N-O 3.38Å; H27-V127 PolarHBondContact O-N 3.12Å; V127-R132 CarbonylContact C-O 3.54Å; V127-R132 WeakPolarHBondContact CA-O 3.32Å; V127-R132 WeakPolarHBondContact CB-O 3.42Å; V127-V189 HydrophobicContact CG1-CB 4.39Å; V127-V189 HydrophobicContact CG1-CG1 3.92Å; V127-V189 HydrophobicContact CG1-CG2 4.05Å; V127-L192 HydrophobicContact CB-CD2 4.34Å; V127-L192 HydrophobicContact CG1-CD2 3.94Å; V127-L192 HydrophobicContact CG2-CD2 3.61Å; V127-L192 HydrophobicContact CG2-CG 4.16Å; V127-L196 HydrophobicContact CG2-CD1 4.44Å
128	G	95.3	Very high	97.1	Very high	3 Å²	3	43.2 Å²	43.2	3%	0.031	21%	0.212	C	C	.	.			trans	-78.9	-179.1	175.3	0	0	0	0	0	112.5	G25 D130 G131 R132	G25-G128 CarbonylContact O-C 3.59Å; G128-D130 PolarHBondContact O-N 3.28Å; G128-D130 VanDerWaalsContact O-N 3.17Å; G128-G131 VanDerWaalsContact O-CA 3.32Å; G128-G131 WeakPolarHBondContact O-CA 3.44Å; G128-G131 PolarHBondContact O-N 2.92Å; G128-R132 PolarHBondContact N-O 2.91Å
129	P	91.8	Very high	97.1	Very high	104 Å²	104	45.3 Å²	45.3	68%	0.675	22%	0.219	S	C	*	.	T	Hydrogen-bonded Turn	trans	-60.5	-24.4	177.7	-22.9	32.9	0	0	0	114.7	A24 G25 G131	A24-P129 WeakPolarHBondContact O-CG 3.39Å; G25-P129 WeakPolarHBondContact O-CA 3.35Å; P129-G131 PolarHBondContact O-N 3.03Å
130	D	91.4	Very high	97.1	Very high	94 Å²	94	45.9 Å²	45.9	50%	0.503	22%	0.222	S	C	.	.	T	Hydrogen-bonded Turn	trans	-86.1	6.7	173.7	67.4	-8.7	0	0	0	113	G128 R132	G128-D130 PolarHBondContact O-N 3.28Å; G128-D130 VanDerWaalsContact O-N 3.17Å; D130-R132 PolarHBondContact O-N 3.09Å; D130-R132 VanDerWaalsContact OD1-CB 3.29Å; D130-R132 WeakPolarHBondContact OD1-CB 3.3Å; D130-R132 WeakPolarHBondContact OD1-CG 3.28Å; D130-R132 PolarHBondContact OD1-N 3.41Å; D130-R132 WeakPolarHBondContact OD2-CD 3.41Å; D130-R132 VanDerWaalsContact OD2-CG 3.3Å; D130-R132 WeakPolarHBondContact OD2-CG 3.47Å; D130-R132 IonicContact OD2-CZ 2.67Å; D130-R132 IonicContact OD2-NE 3.79Å; D130-R132 PolarHBondContact OD2-NE 3.02Å; D130-R132 VanDerWaalsContact OD2-NE 3.11Å; D130-R132 IonicContact OD2-NH1 3.74Å
131	G	92.9	Very high	97.1	Very high	14 Å²	14	42.8 Å²	42.8	14%	0.144	21%	0.211	C	C	.	.	S	Bend	trans	70.9	5.6	-176.5	0	0	0	0	0	114	G128 P129 R193	G128-G131 VanDerWaalsContact O-CA 3.32Å; G128-G131 WeakPolarHBondContact O-CA 3.44Å; G128-G131 PolarHBondContact O-N 2.92Å; P129-G131 PolarHBondContact O-N 3.03Å; G131-R193 PolarHBondContact O-NE 3.45Å; G131-R193 PolarHBondContact O-NH2 2.91Å
132	R	96.1	Very high	97.1	Very high	171 Å²	171	43.1 Å²	43.1	65%	0.645	21%	0.212	S	C	*	.			trans	-77	147.5	-179.6	-65.5	-175.6	-167.7	163.9	3.3	111.4	V127 G128 D130 L134	V127-R132 CarbonylContact C-O 3.54Å; V127-R132 WeakPolarHBondContact CA-O 3.32Å; V127-R132 WeakPolarHBondContact CB-O 3.42Å; G128-R132 PolarHBondContact N-O 2.91Å; D130-R132 PolarHBondContact O-N 3.09Å; D130-R132 VanDerWaalsContact OD1-CB 3.29Å; D130-R132 WeakPolarHBondContact OD1-CB 3.3Å; D130-R132 WeakPolarHBondContact OD1-CG 3.28Å; D130-R132 PolarHBondContact OD1-N 3.41Å; D130-R132 WeakPolarHBondContact OD2-CD 3.41Å; D130-R132 VanDerWaalsContact OD2-CG 3.3Å; D130-R132 WeakPolarHBondContact OD2-CG 3.47Å; D130-R132 IonicContact OD2-CZ 2.67Å; D130-R132 IonicContact OD2-NE 3.79Å; D130-R132 PolarHBondContact OD2-NE 3.02Å; D130-R132 VanDerWaalsContact OD2-NE 3.11Å; D130-R132 IonicContact OD2-NH1 3.74Å; R132-L134 PolarHBondContact O-N 2.68Å
133	F	97.9	Very high	97.1	Very high	61 Å²	61	44.7 Å²	44.7	27%	0.268	22%	0.221	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-55.1	127.7	175.3	-178.4	-101.1	0	0	0	111.2	C125 R135 G136 L154 L184 E185 V189	C125-F133 HydrophobicContact CB-CD2 4.36Å; C125-F133 HydrophobicContact CB-CE2 4.07Å; F133-R135 VanDerWaalsContact CE2-C 3.44Å; F133-R135 VanDerWaalsContact CE2-O 3.29Å; F133-R135 WeakPolarHBondContact CE2-O 3.17Å; F133-G136 VanDerWaalsContact CZ-N 3.26Å; F133-L154 HydrophobicContact CE1-CD1 4.04Å; F133-L154 HydrophobicContact CZ-CD1 3.73Å; F133-L184 WeakPolarHBondContact CE2-O 3.43Å; F133-E185 HydrophobicContact CD1-CG 4.22Å; F133-E185 HydrophobicContact CE1-CG 4Å; F133-E185 HydrophobicContact CE2-CG 4.42Å; F133-E185 HydrophobicContact CZ-CG 4.1Å; F133-V189 HydrophobicContact CB-CG2 4Å; F133-V189 HydrophobicContact CD2-CG2 3.63Å; F133-V189 HydrophobicContact CG-CG2 4.29Å
134	L	97	Very high	97	Very high	106 Å²	106	46.4 Å²	46.4	56%	0.555	25%	0.246	S	C	*	.	E	Extended strand (participates in β ladder)	trans	-106.4	-50.2	172.9	-66.2	-179.7	0	0	0	111.1	D126 R132	D126-L134 HydrophobicContact CB-CB 4.42Å; D126-L134 PolarHBondContact O-N 3.48Å; R132-L134 PolarHBondContact O-N 2.68Å
135	R	97.1	Very high	97	Very high	88 Å²	88	54.1 Å²	54.1	33%	0.332	28%	0.279	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-155.6	149.4	-171.1	-171.7	162.8	167.7	147.5	6	111.7	C125 D126 F133 Y137 E152	C125-R135 CarbonylContact C-O 3.59Å; C125-R135 VanDerWaalsContact CA-O 3.3Å; C125-R135 WeakPolarHBondContact CA-O 3.47Å; D126-R135 HydrophobicContact CB-CB 4.44Å; D126-R135 PolarHBondContact N-O 3.37Å; D126-R135 PolarHBondContact O-N 2.97Å; F133-R135 VanDerWaalsContact CE2-C 3.44Å; F133-R135 VanDerWaalsContact CE2-O 3.29Å; F133-R135 WeakPolarHBondContact CE2-O 3.17Å; R135-Y137 HydrophobicContact CB-CE2 4.11Å; R135-Y137 WeakPolarHBondContact CD-OH 3.3Å; R135-Y137 HydrophobicContact CG-CD2 4.5Å; R135-Y137 HydrophobicContact CG-CE1 4.28Å; R135-Y137 HydrophobicContact CG-CE2 3.76Å; R135-Y137 PolarHBondContact NE-OH 2.9Å; R135-E152 IonicContact CZ-OE1 3.97Å; R135-E152 IonicContact NH1-OE1 3.53Å; R135-E152 PolarHBondContact NH1-OE1 2.97Å; R135-E152 IonicContact NH1-OE2 3.29Å; R135-E152 VanDerWaalsContact NH2-CD 3.27Å; R135-E152 VanDerWaalsContact NH2-CG 3.3Å; R135-E152 IonicContact NH2-OE1 3.49Å; R135-E152 PolarHBondContact NH2-OE1 2.81Å
136	G	97.9	Very high	97	Very high	5 Å²	5	60.3 Å²	60.3	5%	0.052	31%	0.313	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-124.2	151.5	176.3	0	0	0	0	0	110.7	G124 F133	G124-G136 CarbonylContact O-C 3.57Å; G124-G136 WeakPolarHBondContact O-CA 3.32Å; F133-G136 VanDerWaalsContact CZ-N 3.26Å
137	Y	97.9	Very high	97	Very high	35 Å²	35	59.5 Å²	59.5	14%	0.137	31%	0.307	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-133.5	138.5	-176.5	-57.1	-94.7	0	0	0	109.9	M122 Y123 G124 D126 R135	M122-Y137 HydrophobicContact CE-CD1 4.26Å; M122-Y137 HydrophobicContact CE-CG 4.34Å; M122-Y137 HydrophobicContact SD-CG 4.47Å; Y123-Y137 CarbonylContact C-O 3.55Å; Y123-Y137 WeakPolarHBondContact CA-O 3.23Å; Y123-Y137 VanDerWaalsContact CB-O 3.26Å; Y123-Y137 WeakPolarHBondContact CB-O 3.29Å; G124-Y137 PolarHBondContact N-O 3.33Å; G124-Y137 PolarHBondContact O-N 3.49Å; D126-Y137 VanDerWaalsContact OD2-CE2 3.31Å; D126-Y137 WeakPolarHBondContact OD2-CE2 3.4Å; D126-Y137 PolarHBondContact OD2-OH 2.89Å; R135-Y137 HydrophobicContact CB-CE2 4.11Å; R135-Y137 WeakPolarHBondContact CD-OH 3.3Å; R135-Y137 HydrophobicContact CG-CD2 4.5Å; R135-Y137 HydrophobicContact CG-CE1 4.28Å; R135-Y137 HydrophobicContact CG-CE2 3.76Å; R135-Y137 PolarHBondContact NE-OH 2.9Å
138	R	98.3	Very high	97.1	Very high	18 Å²	18	59.7 Å²	59.7	7%	0.068	31%	0.308	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-150.3	113.9	161.4	172.2	63.1	-170.3	-146.6	2.4	107.5	I121 M122 D140 L150 W157	I121-R138 VanDerWaalsContact CG2-NH1 3.35Å; M122-R138 CarbonylContact O-C 3.59Å; M122-R138 WeakPolarHBondContact O-CA 3.45Å; R138-D140 IonicContact CZ-OD1 3.51Å; R138-D140 IonicContact CZ-OD2 3.11Å; R138-D140 IonicContact NE-OD1 3.08Å; R138-D140 PolarHBondContact NE-OD1 3.43Å; R138-D140 IonicContact NE-OD2 3.01Å; R138-D140 IonicContact NH2-OD1 3.04Å; R138-D140 PolarHBondContact NH2-OD1 3.49Å; R138-D140 IonicContact NH2-OD2 3.34Å; R138-D140 PolarHBondContact NH2-OD2 2.88Å; R138-L150 HydrophobicContact CB-CB 3.9Å; R138-L150 HydrophobicContact CB-CD2 4.21Å; R138-L150 PolarHBondContact O-N 2.8Å; R138-W157 HydrophobicContact CG-CH2 4.1Å; R138-W157 HydrophobicContact CG-CZ3 4.11Å
139	Q	98.4	Very high	97.2	Very high	79 Å²	79	60.8 Å²	60.8	37%	0.369	32%	0.317	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-140.3	133	-175.9	-57.6	-179.8	1.3	0	0	109.3	I121 M122 A149	I121-Q139 CarbonylContact C-O 3.57Å; I121-Q139 WeakPolarHBondContact CA-O 3.03Å; M122-Q139 HydrophobicContact CE-CB 4.42Å; M122-Q139 HydrophobicContact CE-CG 4.2Å; M122-Q139 PolarHBondContact N-O 2.97Å; M122-Q139 PolarHBondContact O-N 3.35Å; Q139-A149 HydrophobicContact CB-CB 4.43Å; Q139-A149 HydrophobicContact CG-CB 3.91Å
140	D	98.6	Very high	97.6	Very high	18 Å²	18	56.3 Å²	56.3	10%	0.096	29%	0.287	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-123.3	137.7	-177.1	-57.9	23.5	0	0	0	107.7	Q120 I121 R138 Y147 I148	Q120-D140 CarbonylContact O-C 3.6Å; Q120-D140 WeakPolarHBondContact O-CA 3.37Å; I121-D140 HydrophobicContact CG1-CB 4.38Å; R138-D140 IonicContact CZ-OD1 3.51Å; R138-D140 IonicContact CZ-OD2 3.11Å; R138-D140 IonicContact NE-OD1 3.08Å; R138-D140 PolarHBondContact NE-OD1 3.43Å; R138-D140 IonicContact NE-OD2 3.01Å; R138-D140 IonicContact NH2-OD1 3.04Å; R138-D140 PolarHBondContact NH2-OD1 3.49Å; R138-D140 IonicContact NH2-OD2 3.34Å; R138-D140 PolarHBondContact NH2-OD2 2.88Å; D140-Y147 WeakPolarHBondContact O-CA 3.14Å; D140-Y147 VanDerWaalsContact O-CB 3.3Å; D140-Y147 WeakPolarHBondContact O-CB 3.36Å; D140-Y147 PolarHBondContact O-N 2.82Å; D140-I148 HydrophobicContact CB-CG2 4.04Å; D140-I148 PolarHBondContact N-O 2.83Å; D140-I148 PolarHBondContact O-N 2.79Å; D140-I148 VanDerWaalsContact O-N 3.1Å
141	A	98.8	Very high	97.9	Very high	18 Å²	18	54 Å²	54	15%	0.149	28%	0.275	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-128.2	148.3	179.8	0	0	0	0	0	110.5	I119 Q120 K145	I119-A141 WeakPolarHBondContact CA-O 3.43Å; Q120-A141 HydrophobicContact CB-CB 4.32Å; Q120-A141 PolarHBondContact N-O 3.49Å; Q120-A141 PolarHBondContact O-N 3.23Å; A141-K145 CarbonylContact C-O 3.53Å; A141-K145 WeakPolarHBondContact CA-O 3.46Å; A141-K145 VanDerWaalsContact CB-O 3.25Å; A141-K145 WeakPolarHBondContact CB-O 3.24Å
142	Y	98.8	Very high	98.1	Very high	11 Å²	11	59.7 Å²	59.7	4%	0.043	30%	0.298	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-128.2	128.4	179.1	-174.8	-116.3	0	0	0	110.4	L102 L105 Y109 Q111 H117 T118 I119 G144 K145	L102-Y142 HydrophobicContact CD2-CE2 4.36Å; L105-Y142 HydrophobicContact CB-CD1 4.48Å; L105-Y142 HydrophobicContact CB-CD2 4.11Å; L105-Y142 HydrophobicContact CB-CE1 4.15Å; L105-Y142 HydrophobicContact CB-CE2 3.73Å; L105-Y142 HydrophobicContact CB-CG 4.45Å; L105-Y142 HydrophobicContact CD1-CD2 3.43Å; L105-Y142 VanDerWaalsContact CD1-CD2 3.43Å; L105-Y142 HydrophobicContact CD1-CE2 3.83Å; L105-Y142 HydrophobicContact CD1-CG 3.89Å; L105-Y142 HydrophobicContact CG-CD2 4.38Å; L105-Y142 HydrophobicContact CG-CE2 4.44Å; Y109-Y142 AromaticContact CD2-CD1 3.76Å; Y109-Y142 HydrophobicContact CD2-CD1 3.76Å; Y109-Y142 AromaticContact CD2-CE1 3.52Å; Y109-Y142 HydrophobicContact CD2-CE1 3.52Å; Y109-Y142 AromaticContact CE2-CD1 3.53Å; Y109-Y142 HydrophobicContact CE2-CD1 3.53Å; Y109-Y142 AromaticContact CE2-CE1 3.82Å; Y109-Y142 HydrophobicContact CE2-CE1 3.82Å; Y109-Y142 HydrophobicContact CE2-CG 4.47Å; Y109-Y142 HydrophobicContact CG-CE1 4.42Å; Q111-Y142 PolarHBondContact OE1-OH 3.38Å; H117-Y142 HydrophobicContact CB-CE2 3.87Å; H117-Y142 WeakPolarHBondContact CB-OH 3.28Å; H117-Y142 AromaticContact CG-CZ 3.98Å; H117-Y142 AromaticContact ND1-CZ 3.91Å; H117-Y142 PolarHBondContact ND1-OH 2.7Å; T118-Y142 CarbonylContact O-C 3.56Å; T118-Y142 WeakPolarHBondContact O-CA 3.27Å; T118-Y142 WeakPolarHBondContact O-CD2 3.46Å; I119-Y142 HydrophobicContact CG1-CD2 3.87Å; I119-Y142 HydrophobicContact CG1-CE2 4.32Å; Y142-G144 PolarHBondContact O-N 3.18Å; Y142-K145 PolarHBondContact N-O 3.48Å; Y142-K145 PolarHBondContact O-N 3.35Å
143	D	98.3	Very high	98.2	Very high	61 Å²	61	55.3 Å²	55.3	33%	0.326	29%	0.287	S	S	.	.	T	Hydrogen-bonded Turn	trans	49.6	39.8	-175.6	-66.6	-21.3	0	0	0	113.3	Q111 H117 T118 K145	Q111-D143 PolarHBondContact NE2-OD2 2.63Å; H117-D143 WeakPolarHBondContact CA-OD1 3.46Å; H117-D143 IonicContact CE1-OD2 3.46Å; H117-D143 IonicContact CG-OD1 2.71Å; H117-D143 IonicContact CG-OD2 3.23Å; H117-D143 IonicContact ND1-OD1 3.66Å; H117-D143 PolarHBondContact ND1-OD1 3.11Å; H117-D143 IonicContact ND1-OD2 2.82Å; H117-D143 PolarHBondContact ND1-OD2 3.04Å; T118-D143 PolarHBondContact N-OD1 3.34Å; T118-D143 PolarHBondContact O-N 3.29Å; D143-K145 VanDerWaalsContact C-N 3.31Å; D143-K145 PolarHBondContact O-N 2.83Å
144	G	97.4	Very high	98.2	Very high	59 Å²	59	52.7 Å²	52.7	61%	0.608	28%	0.276	S	S	*	.	T	Hydrogen-bonded Turn	trans	76.8	9.5	178.2	0	0	0	0	0	115.3	Y142	Y142-G144 PolarHBondContact O-N 3.18Å
145	K	98.4	Very high	98.2	Very high	161 Å²	161	55.3 Å²	55.3	70%	0.7	28%	0.278	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-115.6	144.5	176.4	-62.1	178.5	-176.4	175.6	0	110.6	A141 Y142 D143 Y147	A141-K145 CarbonylContact C-O 3.53Å; A141-K145 WeakPolarHBondContact CA-O 3.46Å; A141-K145 VanDerWaalsContact CB-O 3.25Å; A141-K145 WeakPolarHBondContact CB-O 3.24Å; Y142-K145 PolarHBondContact N-O 3.48Å; Y142-K145 PolarHBondContact O-N 3.35Å; D143-K145 VanDerWaalsContact C-N 3.31Å; D143-K145 PolarHBondContact O-N 2.83Å; K145-Y147 PolarHBondContact O-N 2.96Å
146	D	98.6	Very high	98.2	Very high	131 Å²	131	53 Å²	53	70%	0.701	28%	0.275	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-52.4	134.1	173.4	-65.5	-24.1	0	0	0	110.5	A160	D146-A160 HydrophobicContact CB-CB 4.37Å; D146-A160 WeakPolarHBondContact O-CB 3.33Å
147	Y	98.8	Very high	98.3	Very high	12 Å²	12	52.9 Å²	52.9	5%	0.047	27%	0.273	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-114.4	-62.7	179.9	178.8	-108.4	0	0	0	110.5	L105 Y109 D140 K145 A160 A163 A164 T167	L105-Y147 HydrophobicContact CD2-CD2 4.34Å; L105-Y147 HydrophobicContact CD2-CE1 3.81Å; L105-Y147 HydrophobicContact CD2-CE2 3.57Å; L105-Y147 VanDerWaalsContact CD2-OH 3.24Å; L105-Y147 WeakPolarHBondContact CD2-OH 3.19Å; Y109-Y147 HydrophobicContact CE2-CD2 4.44Å; Y109-Y147 HydrophobicContact CE2-CE2 4.15Å; Y109-Y147 WeakPolarHBondContact OH-CD2 3.34Å; Y109-Y147 WeakPolarHBondContact OH-CE2 3.37Å; D140-Y147 WeakPolarHBondContact O-CA 3.14Å; D140-Y147 VanDerWaalsContact O-CB 3.3Å; D140-Y147 WeakPolarHBondContact O-CB 3.36Å; D140-Y147 PolarHBondContact O-N 2.82Å; K145-Y147 PolarHBondContact O-N 2.96Å; Y147-A160 WeakPolarHBondContact O-CB 3.42Å; Y147-A160 PolarHBondContact O-N 2.84Å; Y147-A163 HydrophobicContact CE2-CB 4.45Å; Y147-A163 PolarHBondContact OH-O 3.43Å; Y147-A164 HydrophobicContact CD2-CB 3.79Å; Y147-A164 HydrophobicContact CE1-CB 4.44Å; Y147-A164 VanDerWaalsContact CE2-CA 3.49Å; Y147-A164 HydrophobicContact CE2-CB 3.62Å; Y147-A164 HydrophobicContact CG-CB 4.26Å; Y147-A164 WeakPolarHBondContact O-CB 3.29Å; Y147-T167 HydrophobicContact CE1-CG2 4.17Å; Y147-T167 WeakPolarHBondContact OH-CB 3.44Å; Y147-T167 PolarHBondContact OH-OG1 3.5Å
148	I	98.8	Very high	98.3	Very high	4 Å²	4	54.8 Å²	54.8	2%	0.021	29%	0.289	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-147.9	141.6	178	-162.7	172.8	0	0	0	111.1	D140 W157 T158 T167 K168 W171	D140-I148 HydrophobicContact CB-CG2 4.04Å; D140-I148 PolarHBondContact N-O 2.83Å; D140-I148 PolarHBondContact O-N 2.79Å; D140-I148 VanDerWaalsContact O-N 3.1Å; I148-W157 HydrophobicContact CD1-CB 4.17Å; I148-W157 HydrophobicContact CD1-CD2 4.47Å; I148-W157 HydrophobicContact CD1-CE3 4.28Å; I148-W157 HydrophobicContact CD1-CG 4.45Å; I148-W157 HydrophobicContact CG1-CB 4.28Å; I148-W157 HydrophobicContact CG1-CE3 4.12Å; I148-T158 CarbonylContact C-O 3.55Å; I148-T158 WeakPolarHBondContact CA-O 3.49Å; I148-T158 WeakPolarHBondContact CG1-O 3.33Å; I148-T167 HydrophobicContact CD1-CG2 4.21Å; I148-K168 HydrophobicContact CD1-CB 3.89Å; I148-W171 HydrophobicContact CD1-CE3 4.14Å; I148-W171 HydrophobicContact CD1-CZ3 4.41Å; I148-W171 HydrophobicContact CG2-CH2 4.16Å; I148-W171 HydrophobicContact CG2-CZ3 3.88Å
149	A	98.8	Very high	98.3	Very high	26 Å²	26	54.7 Å²	54.7	22%	0.215	29%	0.292	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-133.9	138.5	-179.7	0	0	0	0	0	111.6	Q139 W157 T158	Q139-A149 HydrophobicContact CB-CB 4.43Å; Q139-A149 HydrophobicContact CG-CB 3.91Å; A149-W157 CarbonylContact O-C 3.48Å; A149-W157 WeakPolarHBondContact O-CA 3.3Å; A149-T158 PolarHBondContact N-O 2.82Å; A149-T158 PolarHBondContact O-N 2.95Å
150	L	98.8	Very high	98.3	Very high	11 Å²	11	53.9 Å²	53.9	6%	0.058	30%	0.299	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-72.8	127.5	167.7	-174.4	64.3	0	0	0	108.4	R138 L154 W157 A177 Q180 L184	R138-L150 HydrophobicContact CB-CB 3.9Å; R138-L150 HydrophobicContact CB-CD2 4.21Å; R138-L150 PolarHBondContact O-N 2.8Å; L150-L154 HydrophobicContact CD2-CB 4.45Å; L150-L154 HydrophobicContact CD2-CD2 3.74Å; L150-L154 HydrophobicContact CG-CD2 4.24Å; L150-W157 HydrophobicContact CB-CE3 3.94Å; L150-W157 HydrophobicContact CB-CH2 4.01Å; L150-W157 HydrophobicContact CB-CZ3 3.58Å; L150-W157 HydrophobicContact CD1-CD2 4.09Å; L150-W157 HydrophobicContact CD1-CE3 4.23Å; L150-W157 HydrophobicContact CD1-CH2 4.01Å; L150-W157 HydrophobicContact CD1-CZ2 3.87Å; L150-W157 HydrophobicContact CD1-CZ3 4.17Å; L150-W157 HydrophobicContact CG-CH2 4.46Å; L150-W157 HydrophobicContact CG-CZ3 4.43Å; L150-A177 HydrophobicContact CD1-CB 4.03Å; L150-Q180 HydrophobicContact CD2-CB 3.96Å; L150-L184 HydrophobicContact CD2-CD1 3.9Å
151	N	98.5	Very high	98.3	Very high	45 Å²	45	55.7 Å²	55.7	24%	0.241	31%	0.308	C	S	.	.			trans	-71.7	163.3	179.7	-68.1	-29.1	0	0	0	111.3	D153 L154 S156 T158	N151-D153 PolarHBondContact O-N 2.75Å; N151-D153 VanDerWaalsContact O-N 3.08Å; N151-L154 PolarHBondContact O-N 3.07Å; N151-S156 WeakPolarHBondContact CB-O 3.38Å; N151-S156 PolarHBondContact N-O 3.22Å; N151-S156 PolarHBondContact ND2-O 3.36Å; N151-S156 PolarHBondContact ND2-OG 2.82Å; N151-T158 PolarHBondContact ND2-OG1 2.74Å; N151-T158 WeakPolarHBondContact OD1-CB 2.85Å; N151-T158 PolarHBondContact OD1-OG1 2.74Å
152	E	97.4	Very high	98.3	Very high	134 Å²	134	61.7 Å²	61.7	63%	0.626	34%	0.335	S	S	*	.	T	Hydrogen-bonded Turn	trans	-59.2	-22.5	-179.8	-63.7	-177.2	-170.2	0	0	113.5	R135 L154	R135-E152 IonicContact CZ-OE1 3.97Å; R135-E152 IonicContact NH1-OE1 3.53Å; R135-E152 PolarHBondContact NH1-OE1 2.97Å; R135-E152 IonicContact NH1-OE2 3.29Å; R135-E152 VanDerWaalsContact NH2-CD 3.27Å; R135-E152 VanDerWaalsContact NH2-CG 3.3Å; R135-E152 IonicContact NH2-OE1 3.49Å; R135-E152 PolarHBondContact NH2-OE1 2.81Å; E152-L154 PolarHBondContact O-N 3.43Å
153	D	97.4	Very high	98.2	Very high	79 Å²	79	61.6 Å²	61.6	42%	0.422	34%	0.336	S	S	.	.	T	Hydrogen-bonded Turn	trans	-71.3	-9.4	174.5	69.7	5.7	0	0	0	113.9	N151 R155 S156	N151-D153 PolarHBondContact O-N 2.75Å; N151-D153 VanDerWaalsContact O-N 3.08Å; D153-R155 WeakPolarHBondContact O-CG 3.45Å; D153-R155 PolarHBondContact O-N 3.24Å; D153-R155 VanDerWaalsContact O-N 3.17Å; D153-R155 PolarHBondContact OD1-N 2.91Å; D153-S156 VanDerWaalsContact CG-OG 3.26Å; D153-S156 PolarHBondContact OD1-N 2.87Å; D153-S156 PolarHBondContact OD1-OG 3.38Å; D153-S156 WeakPolarHBondContact OD2-CB 3.34Å; D153-S156 PolarHBondContact OD2-OG 2.92Å
154	L	98	Very high	98.2	Very high	5 Å²	5	58.7 Å²	58.7	3%	0.026	32%	0.321	C	S	.	.	S	Bend	trans	53.2	27.3	-174.9	-52.9	179.4	0	0	0	114.1	F133 L150 N151 E152 R181 L184 E185	F133-L154 HydrophobicContact CE1-CD1 4.04Å; F133-L154 HydrophobicContact CZ-CD1 3.73Å; L150-L154 HydrophobicContact CD2-CB 4.45Å; L150-L154 HydrophobicContact CD2-CD2 3.74Å; L150-L154 HydrophobicContact CG-CD2 4.24Å; N151-L154 PolarHBondContact O-N 3.07Å; E152-L154 PolarHBondContact O-N 3.43Å; L154-R181 HydrophobicContact CB-CB 4.05Å; L154-R181 HydrophobicContact CB-CG 3.85Å; L154-R181 HydrophobicContact CD1-CG 4.06Å; L154-L184 HydrophobicContact CD2-CD1 4.03Å; L154-E185 HydrophobicContact CD1-CG 3.94Å
155	R	97.6	Very high	98.3	Very high	162 Å²	162	58.6 Å²	58.6	61%	0.611	30%	0.304	S	S	*	.	S	Bend	trans	-132.4	-31.2	-174.6	-71.3	170.7	-175.8	-89.3	11.4	112.4	D153 A177	D153-R155 WeakPolarHBondContact O-CG 3.45Å; D153-R155 PolarHBondContact O-N 3.24Å; D153-R155 VanDerWaalsContact O-N 3.17Å; D153-R155 PolarHBondContact OD1-N 2.91Å; R155-A177 WeakPolarHBondContact O-CB 3.42Å
156	S	97.8	Very high	98.3	Very high	38 Å²	38	53.9 Å²	53.9	27%	0.266	29%	0.286	S	S	.	.			trans	-117.4	158.1	-176.5	65.1	0	0	0	0	112.1	N151 D153	N151-S156 WeakPolarHBondContact CB-O 3.38Å; N151-S156 PolarHBondContact N-O 3.22Å; N151-S156 PolarHBondContact ND2-O 3.36Å; N151-S156 PolarHBondContact ND2-OG 2.82Å; D153-S156 VanDerWaalsContact CG-OG 3.26Å; D153-S156 PolarHBondContact OD1-N 2.87Å; D153-S156 PolarHBondContact OD1-OG 3.38Å; D153-S156 WeakPolarHBondContact OD2-CB 3.34Å; D153-S156 PolarHBondContact OD2-OG 2.92Å
157	W	98.7	Very high	98.3	Very high	3 Å²	3	48.5 Å²	48.5	1%	0.011	26%	0.258	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-116.1	140.5	-178.4	-60.5	93.1	0	0	0	111.4	R138 I148 A149 L150 K168 W171 A176 A177 Q180	R138-W157 HydrophobicContact CG-CH2 4.1Å; R138-W157 HydrophobicContact CG-CZ3 4.11Å; I148-W157 HydrophobicContact CD1-CB 4.17Å; I148-W157 HydrophobicContact CD1-CD2 4.47Å; I148-W157 HydrophobicContact CD1-CE3 4.28Å; I148-W157 HydrophobicContact CD1-CG 4.45Å; I148-W157 HydrophobicContact CG1-CB 4.28Å; I148-W157 HydrophobicContact CG1-CE3 4.12Å; A149-W157 CarbonylContact O-C 3.48Å; A149-W157 WeakPolarHBondContact O-CA 3.3Å; L150-W157 HydrophobicContact CB-CE3 3.94Å; L150-W157 HydrophobicContact CB-CH2 4.01Å; L150-W157 HydrophobicContact CB-CZ3 3.58Å; L150-W157 HydrophobicContact CD1-CD2 4.09Å; L150-W157 HydrophobicContact CD1-CE3 4.23Å; L150-W157 HydrophobicContact CD1-CH2 4.01Å; L150-W157 HydrophobicContact CD1-CZ2 3.87Å; L150-W157 HydrophobicContact CD1-CZ3 4.17Å; L150-W157 HydrophobicContact CG-CH2 4.46Å; L150-W157 HydrophobicContact CG-CZ3 4.43Å; W157-K168 HydrophobicContact CB-CD 4.25Å; W157-K168 HydrophobicContact CB-CG 4.12Å; W157-K168 VanDerWaalsContact O-CE 3.26Å; W157-K168 WeakPolarHBondContact O-CE 3.35Å; W157-K168 PolarHBondContact O-NZ 2.84Å; W157-W171 AromaticContact CD2-CE3 3.88Å; W157-W171 HydrophobicContact CD2-CE3 3.88Å; W157-W171 HydrophobicContact CD2-CZ3 4.4Å; W157-W171 AromaticContact CE2-CE3 3.72Å; W157-W171 AromaticContact CE3-CE3 3.79Å; W157-W171 HydrophobicContact CE3-CE3 3.79Å; W157-W171 AromaticContact CE3-CZ3 3.84Å; W157-W171 HydrophobicContact CE3-CZ3 3.84Å; W157-W171 AromaticContact CH2-CE3 3.42Å; W157-W171 HydrophobicContact CH2-CE3 3.42Å; W157-W171 VanDerWaalsContact CH2-CE3 3.42Å; W157-W171 HydrophobicContact CH2-CH2 4.49Å; W157-W171 AromaticContact CH2-CZ3 3.35Å; W157-W171 HydrophobicContact CH2-CZ3 3.35Å; W157-W171 HydrophobicContact CZ2-CD2 4.46Å; W157-W171 AromaticContact CZ2-CE3 3.5Å; W157-W171 HydrophobicContact CZ2-CE3 3.5Å; W157-W171 VanDerWaalsContact CZ2-CE3 3.5Å; W157-W171 AromaticContact CZ2-CZ3 3.95Å; W157-W171 HydrophobicContact CZ2-CZ3 3.95Å; W157-W171 AromaticContact CZ3-CE3 3.58Å; W157-W171 HydrophobicContact CZ3-CE3 3.58Å; W157-W171 AromaticContact CZ3-CZ3 3.29Å; W157-W171 HydrophobicContact CZ3-CZ3 3.29Å; W157-A176 HydrophobicContact CZ2-CB 4.37Å; W157-A177 HydrophobicContact CZ2-CB 4.3Å; W157-Q180 HydrophobicContact CH2-CG 4.18Å; W157-Q180 HydrophobicContact CZ2-CG 4.41Å
158	T	98.7	Very high	98.3	Very high	76 Å²	76	50.1 Å²	50.1	47%	0.466	27%	0.265	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-103.4	122.3	167.5	-66.4	0	0	0	0	109	I148 A149 N151	I148-T158 CarbonylContact C-O 3.55Å; I148-T158 WeakPolarHBondContact CA-O 3.49Å; I148-T158 WeakPolarHBondContact CG1-O 3.33Å; A149-T158 PolarHBondContact N-O 2.82Å; A149-T158 PolarHBondContact O-N 2.95Å; N151-T158 PolarHBondContact ND2-OG1 2.74Å; N151-T158 WeakPolarHBondContact OD1-CB 2.85Å; N151-T158 PolarHBondContact OD1-OG1 2.74Å
159	A	98.6	Very high	98.3	Very high	16 Å²	16	57.2 Å²	57.2	13%	0.132	29%	0.292	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-105.1	131.9	178.2	0	0	0	0	0	109.3	A164 Q165 K168	A159-A164 HydrophobicContact CB-CB 3.66Å; A159-Q165 HydrophobicContact CB-CG 4.25Å; A159-K168 HydrophobicContact CB-CB 4.28Å; A159-K168 HydrophobicContact CB-CD 4.21Å
160	A	98.4	Very high	98.3	Very high	61 Å²	61	61.4 Å²	61.4	50%	0.504	31%	0.306	S	S	.	.	S	Bend	trans	-74.6	-31.5	-173.9	0	0	0	0	0	113.3	D146 Y147	D146-A160 HydrophobicContact CB-CB 4.37Å; D146-A160 WeakPolarHBondContact O-CB 3.33Å; Y147-A160 WeakPolarHBondContact O-CB 3.42Å; Y147-A160 PolarHBondContact O-N 2.84Å
161	D	98.2	Very high	98.2	Very high	56 Å²	56	64 Å²	64	30%	0.299	31%	0.314	S	S	.	.	S	Bend	trans	-149.3	-176	-178	68.5	27	0	0	0	113.2	Y109 A163 A164 Q165	Y109-D161 WeakPolarHBondContact CE1-OD2 3.48Å; Y109-D161 VanDerWaalsContact CZ-OD2 3.31Å; Y109-D161 VanDerWaalsContact OH-CG 3.23Å; Y109-D161 PolarHBondContact OH-OD1 3.46Å; Y109-D161 PolarHBondContact OH-OD2 2.92Å; D161-A163 VanDerWaalsContact C-N 3.31Å; D161-A163 PolarHBondContact O-N 3.35Å; D161-A163 WeakPolarHBondContact OD1-CA 3.38Å; D161-A163 WeakPolarHBondContact OD1-CB 3.36Å; D161-A163 PolarHBondContact OD1-N 3.15Å; D161-A164 PolarHBondContact O-N 3.34Å; D161-A164 PolarHBondContact OD1-N 2.89Å; D161-Q165 WeakPolarHBondContact O-CG 3.01Å; D161-Q165 PolarHBondContact O-N 2.86Å
162	M	97.9	Very high	98.2	Very high	145 Å²	145	66 Å²	66	71%	0.714	32%	0.322	S	S	*	.	H	α-helix	trans	-64.8	-28.9	-178.7	-68.6	-58.9	-63.8	0	0	114.1
163	A	97.9	Very high	98.3	Very high	8 Å²	8	63.5 Å²	63.5	7%	0.066	33%	0.325	C	S	.	.	H	α-helix	trans	-73.4	-42.1	175.3	0	0	0	0	0	110.3	Y109 Y147 D161 Q165 I166	Y109-A163 HydrophobicContact CD1-CB 4.18Å; Y109-A163 HydrophobicContact CD2-CB 4.45Å; Y109-A163 HydrophobicContact CE1-CB 3.61Å; Y109-A163 HydrophobicContact CE2-CB 3.9Å; Y109-A163 VanDerWaalsContact CZ-CB 3.45Å; Y147-A163 HydrophobicContact CE2-CB 4.45Å; Y147-A163 PolarHBondContact OH-O 3.43Å; D161-A163 VanDerWaalsContact C-N 3.31Å; D161-A163 PolarHBondContact O-N 3.35Å; D161-A163 WeakPolarHBondContact OD1-CA 3.38Å; D161-A163 WeakPolarHBondContact OD1-CB 3.36Å; D161-A163 PolarHBondContact OD1-N 3.15Å; A163-Q165 VanDerWaalsContact C-N 3.26Å; A163-Q165 PolarHBondContact O-N 3.03Å; A163-I166 WeakPolarHBondContact O-CB 3.4Å; A163-I166 PolarHBondContact O-N 2.95Å; A163-I166 VanDerWaalsContact O-N 3.07Å
164	A	98.4	Very high	98.3	Very high	0 Å²	0	62.8 Å²	62.8	0%	0	33%	0.33	C	S	.	.	H	α-helix	trans	-62.3	-30.7	173.6	0	0	0	0	0	113.2	Y147 A159 D161 I166 T167 K168	Y147-A164 HydrophobicContact CD2-CB 3.79Å; Y147-A164 HydrophobicContact CE1-CB 4.44Å; Y147-A164 VanDerWaalsContact CE2-CA 3.49Å; Y147-A164 HydrophobicContact CE2-CB 3.62Å; Y147-A164 HydrophobicContact CG-CB 4.26Å; Y147-A164 WeakPolarHBondContact O-CB 3.29Å; A159-A164 HydrophobicContact CB-CB 3.66Å; D161-A164 PolarHBondContact O-N 3.34Å; D161-A164 PolarHBondContact OD1-N 2.89Å; A164-I166 PolarHBondContact O-N 3.46Å; A164-T167 PolarHBondContact O-N 3.1Å; A164-K168 PolarHBondContact O-N 3.07Å
165	Q	98.6	Very high	98.3	Very high	57 Å²	57	68 Å²	68	27%	0.266	35%	0.354	S	S	.	.	H	α-helix	trans	-60.3	-29.7	173	-68.8	-68.8	-19.9	0	0	112.8	A159 D161 A163 R169	A159-Q165 HydrophobicContact CB-CG 4.25Å; D161-Q165 WeakPolarHBondContact O-CG 3.01Å; D161-Q165 PolarHBondContact O-N 2.86Å; A163-Q165 VanDerWaalsContact C-N 3.26Å; A163-Q165 PolarHBondContact O-N 3.03Å; Q165-R169 WeakPolarHBondContact O-CG 3.25Å; Q165-R169 PolarHBondContact O-N 3.18Å; Q165-R169 VanDerWaalsContact O-N 3.15Å
166	I	98.4	Very high	98.3	Very high	62 Å²	62	61 Å²	61	32%	0.318	33%	0.331	S	S	.	.	H	α-helix	trans	-66.4	-47.6	176	-57.1	170.9	0	0	0	109.6	Y108 A163 A164 R169 K170	Y108-I166 HydrophobicContact CD1-CD1 4.21Å; Y108-I166 HydrophobicContact CD2-CD1 4.35Å; Y108-I166 HydrophobicContact CE1-CD1 4.35Å; Y108-I166 HydrophobicContact CE1-CG2 4.27Å; Y108-I166 HydrophobicContact CE2-CB 4.04Å; Y108-I166 HydrophobicContact CE2-CD1 4.47Å; Y108-I166 HydrophobicContact CE2-CG2 3.9Å; Y108-I166 HydrophobicContact CG-CD1 4.21Å; Y108-I166 WeakPolarHBondContact OH-CG2 3.01Å; A163-I166 WeakPolarHBondContact O-CB 3.4Å; A163-I166 PolarHBondContact O-N 2.95Å; A163-I166 VanDerWaalsContact O-N 3.07Å; A164-I166 PolarHBondContact O-N 3.46Å; I166-R169 PolarHBondContact O-N 3.27Å; I166-K170 PolarHBondContact O-N 3.38Å
167	T	98.4	Very high	98.3	Very high	18 Å²	18	59.7 Å²	59.7	11%	0.11	32%	0.322	C	S	.	.	H	α-helix	trans	-64	-44.2	177.2	-64.3	0	0	0	0	111.5	Y147 I148 A164 R169 K170 W171	Y147-T167 HydrophobicContact CE1-CG2 4.17Å; Y147-T167 WeakPolarHBondContact OH-CB 3.44Å; Y147-T167 PolarHBondContact OH-OG1 3.5Å; I148-T167 HydrophobicContact CD1-CG2 4.21Å; A164-T167 PolarHBondContact O-N 3.1Å; T167-R169 PolarHBondContact O-N 2.85Å; T167-K170 WeakPolarHBondContact O-CB 3.18Å; T167-K170 PolarHBondContact O-N 3.37Å; T167-K170 VanDerWaalsContact O-N 3.11Å; T167-W171 HydrophobicContact CG2-CD2 3.97Å; T167-W171 HydrophobicContact CG2-CG 4.24Å; T167-W171 HydrophobicContact CG2-CZ2 4.11Å; T167-W171 PolarHBondContact O-N 2.85Å
168	K	98.7	Very high	98.2	Very high	46 Å²	46	65.4 Å²	65.4	20%	0.2	35%	0.349	C	S	.	.	H	α-helix	trans	-51.1	-51.8	174.7	175	170.6	175.9	171.2	0	112	I148 W157 A159 A164 K170 W171 E172	I148-K168 HydrophobicContact CD1-CB 3.89Å; W157-K168 HydrophobicContact CB-CD 4.25Å; W157-K168 HydrophobicContact CB-CG 4.12Å; W157-K168 VanDerWaalsContact O-CE 3.26Å; W157-K168 WeakPolarHBondContact O-CE 3.35Å; W157-K168 PolarHBondContact O-NZ 2.84Å; A159-K168 HydrophobicContact CB-CB 4.28Å; A159-K168 HydrophobicContact CB-CD 4.21Å; A164-K168 PolarHBondContact O-N 3.07Å; K168-K170 VanDerWaalsContact C-N 3.32Å; K168-K170 PolarHBondContact O-N 3.27Å; K168-W171 PolarHBondContact O-N 3.03Å; K168-E172 WeakPolarHBondContact CE-OE1 3.32Å; K168-E172 HydrophobicContact CG-CG 4.36Å; K168-E172 IonicContact NZ-OE1 3.69Å; K168-E172 WeakPolarHBondContact O-CB 3.21Å; K168-E172 WeakPolarHBondContact O-CG 3.49Å; K168-E172 PolarHBondContact O-N 3.35Å
169	R	98.7	Very high	98.1	Very high	153 Å²	153	68.4 Å²	68.4	58%	0.577	36%	0.358	S	S	*	.	H	α-helix	trans	-60.6	-39.9	179.5	-69.5	170.1	-169.1	153.3	4.1	112.6	Q165 I166 T167 A173	Q165-R169 WeakPolarHBondContact O-CG 3.25Å; Q165-R169 PolarHBondContact O-N 3.18Å; Q165-R169 VanDerWaalsContact O-N 3.15Å; I166-R169 PolarHBondContact O-N 3.27Å; T167-R169 PolarHBondContact O-N 2.85Å; R169-A173 WeakPolarHBondContact O-CB 3.49Å; R169-A173 PolarHBondContact O-N 3.15Å
170	K	98.3	Very high	98.1	Very high	115 Å²	115	69.9 Å²	69.9	50%	0.5	36%	0.362	S	S	.	.	H	α-helix	trans	-64.7	-44.9	176.7	-72	177.7	171.1	-173.2	0	111.6	Y108 I166 T167 K168 A173 A174	Y108-K170 WeakPolarHBondContact OH-CE 3.39Å; Y108-K170 PolarHBondContact OH-NZ 2.92Å; I166-K170 PolarHBondContact O-N 3.38Å; T167-K170 WeakPolarHBondContact O-CB 3.18Å; T167-K170 PolarHBondContact O-N 3.37Å; T167-K170 VanDerWaalsContact O-N 3.11Å; K168-K170 VanDerWaalsContact C-N 3.32Å; K168-K170 PolarHBondContact O-N 3.27Å; K170-A173 PolarHBondContact O-N 2.59Å; K170-A174 VanDerWaalsContact O-CB 3.3Å; K170-A174 WeakPolarHBondContact O-CB 3.43Å; K170-A174 PolarHBondContact O-N 3.04Å
171	W	98.3	Very high	98.1	Very high	64 Å²	64	70.4 Å²	70.4	24%	0.242	35%	0.351	C	S	.	.	H	α-helix	trans	-69.7	-36.6	-179.2	-77.2	12.9	0	0	0	112.5	I148 W157 T167 K168 A174 H175 A176	I148-W171 HydrophobicContact CD1-CE3 4.14Å; I148-W171 HydrophobicContact CD1-CZ3 4.41Å; I148-W171 HydrophobicContact CG2-CH2 4.16Å; I148-W171 HydrophobicContact CG2-CZ3 3.88Å; W157-W171 AromaticContact CD2-CE3 3.88Å; W157-W171 HydrophobicContact CD2-CE3 3.88Å; W157-W171 HydrophobicContact CD2-CZ3 4.4Å; W157-W171 AromaticContact CE2-CE3 3.72Å; W157-W171 AromaticContact CE3-CE3 3.79Å; W157-W171 HydrophobicContact CE3-CE3 3.79Å; W157-W171 AromaticContact CE3-CZ3 3.84Å; W157-W171 HydrophobicContact CE3-CZ3 3.84Å; W157-W171 AromaticContact CH2-CE3 3.42Å; W157-W171 HydrophobicContact CH2-CE3 3.42Å; W157-W171 VanDerWaalsContact CH2-CE3 3.42Å; W157-W171 HydrophobicContact CH2-CH2 4.49Å; W157-W171 AromaticContact CH2-CZ3 3.35Å; W157-W171 HydrophobicContact CH2-CZ3 3.35Å; W157-W171 HydrophobicContact CZ2-CD2 4.46Å; W157-W171 AromaticContact CZ2-CE3 3.5Å; W157-W171 HydrophobicContact CZ2-CE3 3.5Å; W157-W171 VanDerWaalsContact CZ2-CE3 3.5Å; W157-W171 AromaticContact CZ2-CZ3 3.95Å; W157-W171 HydrophobicContact CZ2-CZ3 3.95Å; W157-W171 AromaticContact CZ3-CE3 3.58Å; W157-W171 HydrophobicContact CZ3-CE3 3.58Å; W157-W171 AromaticContact CZ3-CZ3 3.29Å; W157-W171 HydrophobicContact CZ3-CZ3 3.29Å; T167-W171 HydrophobicContact CG2-CD2 3.97Å; T167-W171 HydrophobicContact CG2-CG 4.24Å; T167-W171 HydrophobicContact CG2-CZ2 4.11Å; T167-W171 PolarHBondContact O-N 2.85Å; K168-W171 PolarHBondContact O-N 3.03Å; W171-A174 CarbonylContact O-C 3.59Å; W171-A174 PolarHBondContact O-N 3.44Å; W171-H175 PolarHBondContact O-N 3.32Å; W171-H175 VanDerWaalsContact O-N 3.08Å; W171-A176 HydrophobicContact CB-CB 3.87Å; W171-A176 HydrophobicContact CD2-CB 4.47Å; W171-A176 HydrophobicContact CG-CB 4.06Å; W171-A176 WeakPolarHBondContact O-CB 3.27Å; W171-A176 PolarHBondContact O-N 3.41Å
172	E	98.4	Very high	98.1	Very high	88 Å²	88	71 Å²	71	41%	0.411	36%	0.364	S	S	.	.	H	α-helix	trans	-63.8	-47.6	171.8	-73.8	173.6	162.8	0	0	111.2	K168 A174 H175	K168-E172 WeakPolarHBondContact CE-OE1 3.32Å; K168-E172 HydrophobicContact CG-CG 4.36Å; K168-E172 IonicContact NZ-OE1 3.69Å; K168-E172 WeakPolarHBondContact O-CB 3.21Å; K168-E172 WeakPolarHBondContact O-CG 3.49Å; K168-E172 PolarHBondContact O-N 3.35Å; E172-A174 PolarHBondContact O-N 2.88Å; E172-H175 PolarHBondContact O-N 3.02Å; E172-H175 VanDerWaalsContact O-N 3.07Å
173	A	98.3	Very high	98.1	Very high	81 Å²	81	65.9 Å²	65.9	67%	0.669	34%	0.337	S	S	*	.	H	α-helix	trans	-62.7	-29.4	176.6	0	0	0	0	0	113.1	R169 K170	R169-A173 WeakPolarHBondContact O-CB 3.49Å; R169-A173 PolarHBondContact O-N 3.15Å; K170-A173 PolarHBondContact O-N 2.59Å
174	A	97.9	Very high	98.1	Very high	65 Å²	65	65.5 Å²	65.5	54%	0.537	33%	0.334	S	S	.	.	T	Hydrogen-bonded Turn	trans	-90.1	3	177.1	0	0	0	0	0	113.8	K170 W171 E172 A176	K170-A174 VanDerWaalsContact O-CB 3.3Å; K170-A174 WeakPolarHBondContact O-CB 3.43Å; K170-A174 PolarHBondContact O-N 3.04Å; W171-A174 CarbonylContact O-C 3.59Å; W171-A174 PolarHBondContact O-N 3.44Å; E172-A174 PolarHBondContact O-N 2.88Å; A174-A176 PolarHBondContact O-N 3.45Å
175	H	97.3	Very high	98.1	Very high	113 Å²	113	69.2 Å²	69.2	52%	0.523	35%	0.351	S	S	.	.	T	Hydrogen-bonded Turn	trans	53.4	33.4	-176.2	-63.7	-94.6	0	0	0	113.8	W171 E172 A177 E178	W171-H175 PolarHBondContact O-N 3.32Å; W171-H175 VanDerWaalsContact O-N 3.08Å; E172-H175 PolarHBondContact O-N 3.02Å; E172-H175 VanDerWaalsContact O-N 3.07Å; H175-A177 PolarHBondContact O-N 3.06Å; H175-A177 VanDerWaalsContact O-N 3.16Å; H175-E178 HydrophobicContact CB-CG 4.41Å; H175-E178 IonicContact CE1-OE1 3.16Å; H175-E178 IonicContact CG-OE1 2.8Å; H175-E178 IonicContact ND1-OE1 3.6Å; H175-E178 PolarHBondContact ND1-OE1 3.39Å; H175-E178 WeakPolarHBondContact O-CB 3.46Å; H175-E178 PolarHBondContact O-N 3.17Å
176	A	97.6	Very high	98.1	Very high	17 Å²	17	67.6 Å²	67.6	14%	0.14	35%	0.349	C	S	.	.	H	α-helix	trans	-60.5	-31.1	-173.3	0	0	0	0	0	113.1	W157 W171 A174 E178 Q179 Q180	W157-A176 HydrophobicContact CZ2-CB 4.37Å; W171-A176 HydrophobicContact CB-CB 3.87Å; W171-A176 HydrophobicContact CD2-CB 4.47Å; W171-A176 HydrophobicContact CG-CB 4.06Å; W171-A176 WeakPolarHBondContact O-CB 3.27Å; W171-A176 PolarHBondContact O-N 3.41Å; A174-A176 PolarHBondContact O-N 3.45Å; A176-E178 VanDerWaalsContact C-N 3.27Å; A176-E178 PolarHBondContact O-N 3.01Å; A176-Q179 PolarHBondContact O-N 3.47Å; A176-Q180 WeakPolarHBondContact O-CG 3.22Å; A176-Q180 PolarHBondContact O-N 2.89Å; A176-Q180 VanDerWaalsContact O-N 3.13Å
177	A	98.2	Very high	98.1	Very high	9 Å²	9	71.5 Å²	71.5	7%	0.074	36%	0.36	C	S	.	.	H	α-helix	trans	-60.7	-34.9	177.1	0	0	0	0	0	112.4	L150 R155 W157 H175 Q179 Q180 R181	L150-A177 HydrophobicContact CD1-CB 4.03Å; R155-A177 WeakPolarHBondContact O-CB 3.42Å; W157-A177 HydrophobicContact CZ2-CB 4.3Å; H175-A177 PolarHBondContact O-N 3.06Å; H175-A177 VanDerWaalsContact O-N 3.16Å; A177-Q179 PolarHBondContact O-N 3.08Å; A177-Q180 PolarHBondContact O-N 3.24Å; A177-R181 VanDerWaalsContact O-CB 3.23Å; A177-R181 WeakPolarHBondContact O-CB 3.46Å; A177-R181 PolarHBondContact O-N 3.43Å
178	E	97.8	Very high	98.1	Very high	123 Å²	123	70.6 Å²	70.6	58%	0.575	36%	0.355	S	S	*	.	H	α-helix	trans	-66.2	-40	-179.9	-63.8	175.3	-160.2	0	0	111.4	H175 A176 A182	H175-E178 HydrophobicContact CB-CG 4.41Å; H175-E178 IonicContact CE1-OE1 3.16Å; H175-E178 IonicContact CG-OE1 2.8Å; H175-E178 IonicContact ND1-OE1 3.6Å; H175-E178 PolarHBondContact ND1-OE1 3.39Å; H175-E178 WeakPolarHBondContact O-CB 3.46Å; H175-E178 PolarHBondContact O-N 3.17Å; A176-E178 VanDerWaalsContact C-N 3.27Å; A176-E178 PolarHBondContact O-N 3.01Å; E178-A182 WeakPolarHBondContact O-CB 3.38Å; E178-A182 PolarHBondContact O-N 3.26Å
179	Q	96.3	Very high	98.1	Very high	140 Å²	140	68.7 Å²	68.7	65%	0.654	35%	0.347	S	S	*	.	H	α-helix	trans	-66.8	-43.6	175.9	-63.8	-178.5	-2.9	0	0	111.7	A176 A177 A182 Y183	A176-Q179 PolarHBondContact O-N 3.47Å; A177-Q179 PolarHBondContact O-N 3.08Å; Q179-A182 PolarHBondContact O-N 3.15Å; Q179-Y183 PolarHBondContact O-N 3.41Å; Q179-Y183 VanDerWaalsContact O-N 3.11Å
180	Q	97.9	Very high	98	Very high	47 Å²	47	67.4 Å²	67.4	22%	0.22	35%	0.347	C	S	.	.	H	α-helix	trans	-62.2	-47.2	176.3	-65.9	-57	-33.4	0	0	110.7	L150 W157 A176 A177 A182 Y183 L184	L150-Q180 HydrophobicContact CD2-CB 3.96Å; W157-Q180 HydrophobicContact CH2-CG 4.18Å; W157-Q180 HydrophobicContact CZ2-CG 4.41Å; A176-Q180 WeakPolarHBondContact O-CG 3.22Å; A176-Q180 PolarHBondContact O-N 2.89Å; A176-Q180 VanDerWaalsContact O-N 3.13Å; A177-Q180 PolarHBondContact O-N 3.24Å; Q180-A182 PolarHBondContact O-N 3.48Å; Q180-Y183 PolarHBondContact O-N 3.29Å; Q180-Y183 VanDerWaalsContact O-N 3.17Å; Q180-L184 HydrophobicContact CB-CD1 4.48Å; Q180-L184 WeakPolarHBondContact O-CB 3.42Å; Q180-L184 WeakPolarHBondContact O-CG 3.43Å; Q180-L184 PolarHBondContact O-N 3.41Å
181	R	98.3	Very high	98	Very high	71 Å²	71	65.4 Å²	65.4	27%	0.268	34%	0.337	S	S	.	.	H	α-helix	trans	-58	-46.2	177	-175.4	172.7	180	-128	-15.2	112.4	L154 A177 Y183 L184 E185	L154-R181 HydrophobicContact CB-CB 4.05Å; L154-R181 HydrophobicContact CB-CG 3.85Å; L154-R181 HydrophobicContact CD1-CG 4.06Å; A177-R181 VanDerWaalsContact O-CB 3.23Å; A177-R181 WeakPolarHBondContact O-CB 3.46Å; A177-R181 PolarHBondContact O-N 3.43Å; R181-Y183 VanDerWaalsContact C-N 3.29Å; R181-Y183 PolarHBondContact O-N 3.42Å; R181-L184 PolarHBondContact O-N 2.84Å; R181-E185 HydrophobicContact CG-CG 4.12Å; R181-E185 IonicContact CZ-OE1 2.72Å; R181-E185 IonicContact CZ-OE2 3.39Å; R181-E185 VanDerWaalsContact NE-CD 3.34Å; R181-E185 IonicContact NE-OE1 2.68Å; R181-E185 PolarHBondContact NE-OE1 2.96Å; R181-E185 IonicContact NE-OE2 2.69Å; R181-E185 PolarHBondContact NE-OE2 2.89Å; R181-E185 IonicContact NH2-OE1 3.58Å; R181-E185 PolarHBondContact NH2-OE1 3.14Å; R181-E185 IonicContact NH2-OE2 3.45Å; R181-E185 PolarHBondContact NH2-OE2 3.25Å; R181-E185 VanDerWaalsContact NH2-OE2 3.11Å; R181-E185 WeakPolarHBondContact O-CB 3.2Å; R181-E185 PolarHBondContact O-N 3.11Å
182	A	98.3	Very high	98.1	Very high	70 Å²	70	62.4 Å²	62.4	58%	0.579	33%	0.325	S	S	*	.	H	α-helix	trans	-61	-36.8	178	0	0	0	0	0	112.6	E178 Q179 Q180 G186	E178-A182 WeakPolarHBondContact O-CB 3.38Å; E178-A182 PolarHBondContact O-N 3.26Å; Q179-A182 PolarHBondContact O-N 3.15Å; Q180-A182 PolarHBondContact O-N 3.48Å; A182-G186 PolarHBondContact O-N 2.87Å
183	Y	98.2	Very high	98	Very high	37 Å²	37	63.8 Å²	63.8	15%	0.145	33%	0.327	C	S	.	.	I	π-helix	trans	-69.4	-48.8	173.1	171.9	-98.1	0	0	0	112.1	Y123 Q179 Q180 R181 G186 R187 C188	Y123-Y183 AromaticContact CD2-CE1 3.77Å; Y123-Y183 HydrophobicContact CD2-CE1 3.77Å; Y123-Y183 AromaticContact CE2-CE1 3.62Å; Y123-Y183 HydrophobicContact CE2-CE1 3.62Å; Y123-Y183 AromaticContact CE2-CZ 3.91Å; Q179-Y183 PolarHBondContact O-N 3.41Å; Q179-Y183 VanDerWaalsContact O-N 3.11Å; Q180-Y183 PolarHBondContact O-N 3.29Å; Q180-Y183 VanDerWaalsContact O-N 3.17Å; R181-Y183 VanDerWaalsContact C-N 3.29Å; R181-Y183 PolarHBondContact O-N 3.42Å; Y183-G186 CarbonylContact O-C 3.52Å; Y183-G186 PolarHBondContact O-N 2.87Å; Y183-R187 HydrophobicContact CD2-CB 3.87Å; Y183-R187 HydrophobicContact CE2-CB 4.1Å; Y183-R187 PolarHBondContact O-N 2.04Å; Y183-R187 VanDerWaalsContact O-N 3.12Å; Y183-C188 HydrophobicContact CD1-CB 4.33Å; Y183-C188 HydrophobicContact CE1-CB 3.9Å; Y183-C188 WeakPolarHBondContact O-CB 3.4Å; Y183-C188 PolarHBondContact O-N 2.95Å
184	L	98.6	Very high	98	Very high	0 Å²	0	65.7 Å²	65.7	0%	0	32%	0.317	C	S	.	.	I	π-helix	trans	-68.2	-43.5	-172.9	-68.1	170.9	0	0	0	112.7	G124 F133 L150 L154 Q180 R181	G124-L184 VanDerWaalsContact O-CD2 3.24Å; G124-L184 WeakPolarHBondContact O-CD2 3.31Å; F133-L184 WeakPolarHBondContact CE2-O 3.43Å; L150-L184 HydrophobicContact CD2-CD1 3.9Å; L154-L184 HydrophobicContact CD2-CD1 4.03Å; Q180-L184 HydrophobicContact CB-CD1 4.48Å; Q180-L184 WeakPolarHBondContact O-CB 3.42Å; Q180-L184 WeakPolarHBondContact O-CG 3.43Å; Q180-L184 PolarHBondContact O-N 3.41Å; R181-L184 PolarHBondContact O-N 2.84Å
185	E	98.3	Very high	98	Very high	78 Å²	78	62.6 Å²	62.6	36%	0.364	29%	0.291	S	S	.	.	I	π-helix	trans	-78.3	-22.5	178.5	-67.1	-177.8	174	0	0	112.7	F133 L154 R181	F133-E185 HydrophobicContact CD1-CG 4.22Å; F133-E185 HydrophobicContact CE1-CG 4Å; F133-E185 HydrophobicContact CE2-CG 4.42Å; F133-E185 HydrophobicContact CZ-CG 4.1Å; L154-E185 HydrophobicContact CD1-CG 3.94Å; R181-E185 HydrophobicContact CG-CG 4.12Å; R181-E185 IonicContact CZ-OE1 2.72Å; R181-E185 IonicContact CZ-OE2 3.39Å; R181-E185 VanDerWaalsContact NE-CD 3.34Å; R181-E185 IonicContact NE-OE1 2.68Å; R181-E185 PolarHBondContact NE-OE1 2.96Å; R181-E185 IonicContact NE-OE2 2.69Å; R181-E185 PolarHBondContact NE-OE2 2.89Å; R181-E185 IonicContact NH2-OE1 3.58Å; R181-E185 PolarHBondContact NH2-OE1 3.14Å; R181-E185 IonicContact NH2-OE2 3.45Å; R181-E185 PolarHBondContact NH2-OE2 3.25Å; R181-E185 VanDerWaalsContact NH2-OE2 3.11Å; R181-E185 WeakPolarHBondContact O-CB 3.2Å; R181-E185 PolarHBondContact O-N 3.11Å
186	G	98.1	Very high	98	Very high	22 Å²	22	57.9 Å²	57.9	23%	0.227	27%	0.27	C	S	.	.	I	π-helix	trans	-107.8	-94.2	-176.6	0	0	0	0	0	112.8	A182 Y183 C188 V189 E190	A182-G186 PolarHBondContact O-N 2.87Å; Y183-G186 CarbonylContact O-C 3.52Å; Y183-G186 PolarHBondContact O-N 2.87Å; G186-C188 VanDerWaalsContact C-N 3.28Å; G186-C188 PolarHBondContact O-N 3.36Å; G186-V189 PolarHBondContact O-N 3.17Å; G186-E190 WeakPolarHBondContact O-CG 3.47Å; G186-E190 PolarHBondContact O-N 3.07Å
187	R	97.7	Very high	97.9	Very high	144 Å²	144	63 Å²	63	54%	0.543	29%	0.291	S	S	.	.	I	π-helix	trans	-54.8	-39.5	-171.1	-71.1	-168.6	-68.4	163.9	0.9	113.5	Y183 E190 W191	Y183-R187 HydrophobicContact CD2-CB 3.87Å; Y183-R187 HydrophobicContact CE2-CB 4.1Å; Y183-R187 PolarHBondContact O-N 2.04Å; Y183-R187 VanDerWaalsContact O-N 3.12Å; R187-E190 PolarHBondContact O-N 3.08Å; R187-W191 WeakPolarHBondContact O-CB 3.21Å; R187-W191 PolarHBondContact O-N 3.18Å
188	C	98.5	Very high	97.8	Very high	0 Å²	0	65.1 Å²	65.1	0%	0	30%	0.301	C	S	.	.	H	α-helix	trans	-60.2	-47.5	178.9	-175	0	0	0	0	111.3	M29 C125 Y183 G186 W191 L192	M29-C188 HydrophobicContact CE-CB 4.16Å; M29-C188 WeakPolarHBondContact CE-O 3.04Å; M29-C188 WeakPolarHBondContact CE-SG 3.28Å; C125-C188 HydrophobicContact CB-CB 3.9Å; C125-C188 WeakPolarHBondContact CB-SG 3.29Å; C125-C188 PolarHBondContact N-SG 2.92Å; C125-C188 WeakPolarHBondContact SG-CB 3.32Å; C125-C188 CovalentContact SG-SG 2.04Å; C125-C188 PolarHBondContact SG-SG 2.81Å; Y183-C188 HydrophobicContact CD1-CB 4.33Å; Y183-C188 HydrophobicContact CE1-CB 3.9Å; Y183-C188 WeakPolarHBondContact O-CB 3.4Å; Y183-C188 PolarHBondContact O-N 2.95Å; G186-C188 VanDerWaalsContact C-N 3.28Å; G186-C188 PolarHBondContact O-N 3.36Å; C188-W191 PolarHBondContact O-N 3.28Å; C188-L192 WeakPolarHBondContact O-CB 3.47Å; C188-L192 PolarHBondContact O-N 3.32Å
189	V	98.5	Very high	97.7	Very high	6 Å²	6	59.4 Å²	59.4	4%	0.036	28%	0.275	C	S	.	.	H	α-helix	trans	-65.8	-42.2	178.7	174.8	0	0	0	0	111.4	V127 F133 G186 L192 R193	V127-V189 HydrophobicContact CG1-CB 4.39Å; V127-V189 HydrophobicContact CG1-CG1 3.92Å; V127-V189 HydrophobicContact CG1-CG2 4.05Å; F133-V189 HydrophobicContact CB-CG2 4Å; F133-V189 HydrophobicContact CD2-CG2 3.63Å; F133-V189 HydrophobicContact CG-CG2 4.29Å; G186-V189 PolarHBondContact O-N 3.17Å; V189-L192 PolarHBondContact O-N 3.42Å; V189-R193 VanDerWaalsContact O-CG 3.32Å; V189-R193 WeakPolarHBondContact O-CG 3.15Å; V189-R193 PolarHBondContact O-N 3.36Å
190	E	98.3	Very high	97.6	Very high	125 Å²	125	58 Å²	58	58%	0.584	27%	0.267	S	S	*	.	H	α-helix	trans	-60	-47.9	177.6	-70.3	171.7	176.3	0	0	111.8	G186 R187 R194	G186-E190 WeakPolarHBondContact O-CG 3.47Å; G186-E190 PolarHBondContact O-N 3.07Å; R187-E190 PolarHBondContact O-N 3.08Å; E190-R194 PolarHBondContact O-N 2.88Å; E190-R194 VanDerWaalsContact O-N 3.13Å
191	W	98.3	Very high	97.3	Very high	74 Å²	74	64.5 Å²	64.5	28%	0.28	30%	0.297	S	S	.	.	H	α-helix	trans	-67.3	-43.2	177.8	-81.7	112	0	0	0	112.4	M29 Y83 R187 C188 R193 R194 Y195	M29-W191 HydrophobicContact CE-CB 4.07Å; M29-W191 HydrophobicContact SD-CB 4.45Å; Y83-W191 AromaticContact CD2-CH2 3.51Å; Y83-W191 HydrophobicContact CD2-CH2 3.51Å; Y83-W191 HydrophobicContact CD2-CZ2 4.07Å; Y83-W191 AromaticContact CD2-CZ3 3.91Å; Y83-W191 HydrophobicContact CD2-CZ3 3.91Å; Y83-W191 HydrophobicContact CE2-CE3 4.42Å; Y83-W191 AromaticContact CE2-CH2 3.91Å; Y83-W191 HydrophobicContact CE2-CH2 3.91Å; Y83-W191 HydrophobicContact CE2-CZ2 4.36Å; Y83-W191 AromaticContact CE2-CZ3 3.94Å; Y83-W191 HydrophobicContact CE2-CZ3 3.94Å; R187-W191 WeakPolarHBondContact O-CB 3.21Å; R187-W191 PolarHBondContact O-N 3.18Å; C188-W191 PolarHBondContact O-N 3.28Å; W191-R193 VanDerWaalsContact C-N 3.32Å; W191-R193 PolarHBondContact O-N 3.13Å; W191-R194 WeakPolarHBondContact O-CB 3.04Å; W191-R194 PolarHBondContact O-N 2.91Å; W191-R194 VanDerWaalsContact O-N 3.15Å; W191-Y195 HydrophobicContact CB-CE2 4.05Å; W191-Y195 HydrophobicContact CD2-CE1 4.47Å; W191-Y195 HydrophobicContact CE3-CD1 4.35Å; W191-Y195 AromaticContact CE3-CE1 3.41Å; W191-Y195 HydrophobicContact CE3-CE1 3.41Å; W191-Y195 VanDerWaalsContact CE3-CE1 3.41Å; W191-Y195 HydrophobicContact CE3-CE2 4.41Å; W191-Y195 AromaticContact CE3-CZ 3.44Å; W191-Y195 VanDerWaalsContact CE3-CZ 3.44Å; W191-Y195 AromaticContact CZ3-CE1 3.83Å; W191-Y195 HydrophobicContact CZ3-CE1 3.83Å; W191-Y195 WeakPolarHBondContact O-CD2 3.44Å; W191-Y195 VanDerWaalsContact O-CG 3.22Å; W191-Y195 PolarHBondContact O-N 3.05Å
192	L	98.5	Very high	97	Very high	0 Å²	0	63.4 Å²	63.4	0%	0	30%	0.298	C	S	.	.	H	α-helix	trans	-58	-45.3	176.7	174.9	52.4	0	0	0	111.2	H27 M29 V52 V127 C188 V189 R194 Y195 L196	H27-L192 HydrophobicContact CB-CD1 4.44Å; M29-L192 HydrophobicContact CB-CB 4.08Å; M29-L192 HydrophobicContact CB-CD1 4.02Å; M29-L192 HydrophobicContact CB-CD2 4.1Å; M29-L192 HydrophobicContact CB-CG 4.28Å; M29-L192 HydrophobicContact CE-CB 4.45Å; V52-L192 HydrophobicContact CG1-CD1 3.62Å; V52-L192 HydrophobicContact CG2-CD1 4.25Å; V127-L192 HydrophobicContact CB-CD2 4.34Å; V127-L192 HydrophobicContact CG1-CD2 3.94Å; V127-L192 HydrophobicContact CG2-CD2 3.61Å; V127-L192 HydrophobicContact CG2-CG 4.16Å; C188-L192 WeakPolarHBondContact O-CB 3.47Å; C188-L192 PolarHBondContact O-N 3.32Å; V189-L192 PolarHBondContact O-N 3.42Å; L192-R194 PolarHBondContact O-N 3.34Å; L192-Y195 PolarHBondContact O-N 3.16Å; L192-L196 HydrophobicContact CD1-CD1 3.85Å; L192-L196 HydrophobicContact CD1-CD2 4.42Å; L192-L196 HydrophobicContact CD1-CG 3.87Å; L192-L196 HydrophobicContact CG-CD1 3.99Å; L192-L196 HydrophobicContact CG-CG 4.47Å; L192-L196 WeakPolarHBondContact O-CB 3.46Å; L192-L196 VanDerWaalsContact O-CG 3.27Å; L192-L196 WeakPolarHBondContact O-CG 3.26Å; L192-L196 PolarHBondContact O-N 2.89Å
193	R	97.6	Very high	96.7	Very high	117 Å²	117	60.2 Å²	60.2	44%	0.442	27%	0.271	S	S	.	.	H	α-helix	trans	-60	-43.5	175.3	-72.5	174.1	-176.5	173.1	1.3	112.5	G131 V189 W191 L196 E197	G131-R193 PolarHBondContact O-NE 3.45Å; G131-R193 PolarHBondContact O-NH2 2.91Å; V189-R193 VanDerWaalsContact O-CG 3.32Å; V189-R193 WeakPolarHBondContact O-CG 3.15Å; V189-R193 PolarHBondContact O-N 3.36Å; W191-R193 VanDerWaalsContact C-N 3.32Å; W191-R193 PolarHBondContact O-N 3.13Å; R193-L196 PolarHBondContact O-N 3.04Å; R193-E197 PolarHBondContact O-N 3.03Å; R193-E197 VanDerWaalsContact O-N 3.08Å
194	R	97.5	Very high	96.4	Very high	121 Å²	121	62.6 Å²	62.6	46%	0.457	28%	0.284	S	S	.	.	H	α-helix	trans	-61.1	-44.2	176.3	177.3	176.2	174.2	132.7	-2.2	111.3	E79 E190 W191 L192 E197 N198	E79-R194 VanDerWaalsContact CD-NH2 3.33Å; E79-R194 IonicContact OE1-CZ 2.96Å; E79-R194 IonicContact OE1-NE 2.74Å; E79-R194 PolarHBondContact OE1-NE 3.01Å; E79-R194 IonicContact OE1-NH2 3.36Å; E79-R194 PolarHBondContact OE1-NH2 3.47Å; E79-R194 VanDerWaalsContact OE1-NH2 3.16Å; E79-R194 IonicContact OE2-CZ 3.97Å; E79-R194 IonicContact OE2-NE 2.79Å; E79-R194 IonicContact OE2-NH2 3.73Å; E79-R194 PolarHBondContact OE2-NH2 3.44Å; E190-R194 PolarHBondContact O-N 2.88Å; E190-R194 VanDerWaalsContact O-N 3.13Å; W191-R194 WeakPolarHBondContact O-CB 3.04Å; W191-R194 PolarHBondContact O-N 2.91Å; W191-R194 VanDerWaalsContact O-N 3.15Å; L192-R194 PolarHBondContact O-N 3.34Å; R194-E197 PolarHBondContact O-N 2.9Å; R194-N198 VanDerWaalsContact O-CB 3.26Å; R194-N198 WeakPolarHBondContact O-CB 3.37Å; R194-N198 PolarHBondContact O-N 3.28Å; R194-N198 PolarHBondContact O-OD1 3Å
195	Y	97.9	Very high	96.1	Very high	1 Å²	1	66.2 Å²	66.2	0%	0.004	30%	0.297	C	S	.	.	H	α-helix	trans	-66.5	-39.8	178.7	-61	-24.6	0	0	0	112.5	M29 V52 F57 W75 I76 Y83 W191 L192 E197 N198 G199 L203	M29-Y195 HydrophobicContact SD-CD2 3.72Å; M29-Y195 HydrophobicContact SD-CE2 3.53Å; M29-Y195 VanDerWaalsContact SD-CE2 3.53Å; V52-Y195 HydrophobicContact CG2-CD2 3.94Å; V52-Y195 HydrophobicContact CG2-CG 4.48Å; F57-Y195 HydrophobicContact CD2-CE2 4.44Å; F57-Y195 HydrophobicContact CE2-CD2 4.21Å; F57-Y195 AromaticContact CE2-CE2 3.61Å; F57-Y195 HydrophobicContact CE2-CE2 3.61Å; F57-Y195 AromaticContact CE2-CZ 3.98Å; F57-Y195 HydrophobicContact CZ-CD2 4.26Å; F57-Y195 AromaticContact CZ-CE2 3.76Å; F57-Y195 HydrophobicContact CZ-CE2 3.76Å; W75-Y195 HydrophobicContact CH2-CG 4.19Å; W75-Y195 AromaticContact CZ3-CD1 3.81Å; W75-Y195 HydrophobicContact CZ3-CD1 3.81Å; W75-Y195 HydrophobicContact CZ3-CD2 4.33Å; W75-Y195 AromaticContact CZ3-CG 3.67Å; W75-Y195 HydrophobicContact CZ3-CG 3.67Å; I76-Y195 HydrophobicContact CD1-CD1 3.76Å; I76-Y195 HydrophobicContact CD1-CE1 3.29Å; Y83-Y195 WeakPolarHBondContact CE2-OH 3.32Å; Y83-Y195 PolarHBondContact OH-OH 3.44Å; W191-Y195 HydrophobicContact CB-CE2 4.05Å; W191-Y195 HydrophobicContact CD2-CE1 4.47Å; W191-Y195 HydrophobicContact CE3-CD1 4.35Å; W191-Y195 AromaticContact CE3-CE1 3.41Å; W191-Y195 HydrophobicContact CE3-CE1 3.41Å; W191-Y195 VanDerWaalsContact CE3-CE1 3.41Å; W191-Y195 HydrophobicContact CE3-CE2 4.41Å; W191-Y195 AromaticContact CE3-CZ 3.44Å; W191-Y195 VanDerWaalsContact CE3-CZ 3.44Å; W191-Y195 AromaticContact CZ3-CE1 3.83Å; W191-Y195 HydrophobicContact CZ3-CE1 3.83Å; W191-Y195 WeakPolarHBondContact O-CD2 3.44Å; W191-Y195 VanDerWaalsContact O-CG 3.22Å; W191-Y195 PolarHBondContact O-N 3.05Å; L192-Y195 PolarHBondContact O-N 3.16Å; Y195-E197 VanDerWaalsContact C-N 3.29Å; Y195-E197 PolarHBondContact O-N 2.81Å; Y195-N198 PolarHBondContact O-N 2.99Å; Y195-G199 WeakPolarHBondContact O-CA 3.36Å; Y195-G199 PolarHBondContact O-N 3.37Å; Y195-L203 WeakPolarHBondContact O-CD1 3.47Å
196	L	96.7	Very high	95.9	Very high	13 Å²	13	65.5 Å²	65.5	7%	0.068	30%	0.298	C	S	.	.	H	α-helix	trans	-63.1	-34.9	175.1	-71.4	169.1	0	0	0	112.6	H27 V52 V127 L192 R193 K200 L203 Q204	H27-L196 HydrophobicContact CB-CD1 3.66Å; H27-L196 HydrophobicContact CB-CD2 3.99Å; H27-L196 HydrophobicContact CB-CG 4.4Å; H27-L196 WeakPolarHBondContact ND1-CD2 3.34Å; V52-L196 HydrophobicContact CG1-CD2 4.03Å; V127-L196 HydrophobicContact CG2-CD1 4.44Å; L192-L196 HydrophobicContact CD1-CD1 3.85Å; L192-L196 HydrophobicContact CD1-CD2 4.42Å; L192-L196 HydrophobicContact CD1-CG 3.87Å; L192-L196 HydrophobicContact CG-CD1 3.99Å; L192-L196 HydrophobicContact CG-CG 4.47Å; L192-L196 WeakPolarHBondContact O-CB 3.46Å; L192-L196 VanDerWaalsContact O-CG 3.27Å; L192-L196 WeakPolarHBondContact O-CG 3.26Å; L192-L196 PolarHBondContact O-N 2.89Å; R193-L196 PolarHBondContact O-N 3.04Å; L196-K200 WeakPolarHBondContact O-CA 3.34Å; L196-K200 WeakPolarHBondContact O-CB 3.3Å; L196-K200 PolarHBondContact O-N 3.03Å; L196-K200 VanDerWaalsContact O-N 3.14Å; L196-L203 HydrophobicContact CD2-CB 4.13Å; L196-L203 HydrophobicContact CD2-CD1 4.35Å; L196-Q204 HydrophobicContact CD2-CG 4.49Å; L196-Q204 PolarHBondContact O-NE2 2.83Å
197	E	96.3	Very high	95.7	Very high	126 Å²	126	66.9 Å²	66.9	59%	0.589	30%	0.301	S	S	*	.	H	α-helix	trans	-72.4	-49.1	174.1	-171.9	60.1	-151	0	0	111	R193 R194 Y195 G199 K200	R193-E197 PolarHBondContact O-N 3.03Å; R193-E197 VanDerWaalsContact O-N 3.08Å; R194-E197 PolarHBondContact O-N 2.9Å; Y195-E197 VanDerWaalsContact C-N 3.29Å; Y195-E197 PolarHBondContact O-N 2.81Å; E197-G199 VanDerWaalsContact C-N 3.31Å; E197-G199 PolarHBondContact O-N 3.09Å; E197-K200 WeakPolarHBondContact O-CB 3.48Å; E197-K200 PolarHBondContact O-N 2.86Å
198	N	96.6	Very high	95.7	Very high	52 Å²	52	63 Å²	63	28%	0.278	29%	0.294	S	S	.	.	H	α-helix	trans	-59.1	-40.5	179.2	-79.2	1.8	0	0	0	113	Q78 E79 R194 Y195	Q78-N198 PolarHBondContact NE2-ND2 2.74Å; E79-N198 PolarHBondContact OE1-ND2 2.86Å; R194-N198 VanDerWaalsContact O-CB 3.26Å; R194-N198 WeakPolarHBondContact O-CB 3.37Å; R194-N198 PolarHBondContact O-N 3.28Å; R194-N198 PolarHBondContact O-OD1 3Å; Y195-N198 PolarHBondContact O-N 2.99Å
199	G	95.8	Very high	95.7	Very high	3 Å²	3	63.5 Å²	63.5	3%	0.031	30%	0.297	C	S	.	.	T	Hydrogen-bonded Turn	trans	-104.2	18.4	-176.2	0	0	0	0	0	113.7	Y195 E197 E201 T202 L203	Y195-G199 WeakPolarHBondContact O-CA 3.36Å; Y195-G199 PolarHBondContact O-N 3.37Å; E197-G199 VanDerWaalsContact C-N 3.31Å; E197-G199 PolarHBondContact O-N 3.09Å; G199-E201 VanDerWaalsContact C-N 3.27Å; G199-E201 PolarHBondContact O-N 3.23Å; G199-E201 VanDerWaalsContact O-N 3.12Å; G199-T202 PolarHBondContact O-N 2.81Å; G199-L203 PolarHBondContact O-N 2.88Å
200	K	93.8	Very high	95.7	Very high	112 Å²	112	70.7 Å²	70.7	49%	0.487	33%	0.328	S	S	.	.	H	α-helix	trans	-48.2	-44.2	-171.4	-177.5	173.4	-175.1	172.7	0	114.3	L196 E197 T202 Q204	L196-K200 WeakPolarHBondContact O-CA 3.34Å; L196-K200 WeakPolarHBondContact O-CB 3.3Å; L196-K200 PolarHBondContact O-N 3.03Å; L196-K200 VanDerWaalsContact O-N 3.14Å; E197-K200 WeakPolarHBondContact O-CB 3.48Å; E197-K200 PolarHBondContact O-N 2.86Å; K200-T202 PolarHBondContact O-N 3Å; K200-Q204 WeakPolarHBondContact O-CB 3.37Å; K200-Q204 PolarHBondContact O-N 2.62Å; K200-Q204 VanDerWaalsContact O-N 3.15Å
201	E	91.9	Very high	95.6	Very high	182 Å²	182	66.5 Å²	66.5	85%	0.85	31%	0.311	S	S	*	.	H	α-helix	trans	-64.7	-24.1	-179.7	-63	-175.1	165.9	0	0	113.6	G199	G199-E201 VanDerWaalsContact C-N 3.27Å; G199-E201 PolarHBondContact O-N 3.23Å; G199-E201 VanDerWaalsContact O-N 3.12Å
202	T	91.7	Very high	95.4	Very high	48 Å²	48	66.8 Å²	66.8	29%	0.294	32%	0.316	S	S	.	.	H	α-helix	trans	-105.4	-41.4	-177.9	-52.3	0	0	0	0	112.7	G199 K200 R205	G199-T202 PolarHBondContact O-N 2.81Å; K200-T202 PolarHBondContact O-N 3Å; T202-R205 WeakPolarHBondContact O-CD 3.37Å; T202-R205 VanDerWaalsContact O-CG 3.28Å; T202-R205 WeakPolarHBondContact O-CG 3.44Å; T202-R205 PolarHBondContact O-NE 3.11Å
203	L	92.8	Very high	95.2	Very high	4 Å²	4	68.5 Å²	68.5	2%	0.021	32%	0.324	C	S	.	.	H	α-helix	trans	-85.9	-28.2	-173	-62.9	173.1	0	0	0	113	V52 T55 W75 Y195 L196 G199	V52-L203 HydrophobicContact CB-CD1 4.25Å; V52-L203 HydrophobicContact CB-CD2 4.06Å; V52-L203 HydrophobicContact CG1-CD1 3.9Å; V52-L203 HydrophobicContact CG1-CD2 4.05Å; V52-L203 HydrophobicContact CG1-CG 4.48Å; T55-L203 HydrophobicContact CG2-CD2 4.05Å; W75-L203 HydrophobicContact CD2-CD1 4.41Å; W75-L203 HydrophobicContact CH2-CD1 4.27Å; W75-L203 HydrophobicContact CZ2-CD1 3.8Å; W75-L203 HydrophobicContact CZ2-CD2 4.03Å; W75-L203 HydrophobicContact CZ2-CG 4.31Å; Y195-L203 WeakPolarHBondContact O-CD1 3.47Å; L196-L203 HydrophobicContact CD2-CB 4.13Å; L196-L203 HydrophobicContact CD2-CD1 4.35Å; G199-L203 PolarHBondContact O-N 2.88Å
204	Q	91	Very high	95.1	Very high	86 Å²	86	64.6 Å²	64.6	40%	0.402	31%	0.313	S	S	.	.	S	Bend	trans	-104.6	16.7	178.1	-57.4	179.4	37.5	0	0	111.7	L196 K200	L196-Q204 HydrophobicContact CD2-CG 4.49Å; L196-Q204 PolarHBondContact O-NE2 2.83Å; K200-Q204 WeakPolarHBondContact O-CB 3.37Å; K200-Q204 PolarHBondContact O-N 2.62Å; K200-Q204 VanDerWaalsContact O-N 3.15Å
205	R	92.4	Very high	94.9	Very high	76 Å²	76	61.4 Å²	61.4	29%	0.287	30%	0.303	S	S	.	.			trans	-82.2	150	172.2	81.5	-172.2	169.7	172	5.4	109.6	T202 D207 Y233	T202-R205 WeakPolarHBondContact O-CD 3.37Å; T202-R205 VanDerWaalsContact O-CG 3.28Å; T202-R205 WeakPolarHBondContact O-CG 3.44Å; T202-R205 PolarHBondContact O-NE 3.11Å; R205-D207 IonicContact CZ-OD2 3.72Å; R205-D207 IonicContact NE-OD2 3.11Å; R205-D207 PolarHBondContact NE-OD2 2.79Å; R205-Y233 HydrophobicContact CG-CD1 3.82Å; R205-Y233 HydrophobicContact CG-CE1 4.2Å; R205-Y233 VanDerWaalsContact O-CD1 3.28Å; R205-Y233 WeakPolarHBondContact O-CD1 3.38Å
206	T	93.2	Very high	94.7	Very high	63 Å²	63	65.3 Å²	65.3	39%	0.387	32%	0.322	S	S	.	.			trans	-127.1	110.1	170.4	55	0	0	0	0	108	Y233 E288	T206-Y233 WeakPolarHBondContact CA-O 3.46Å; T206-E288 HydrophobicContact CG2-CG 4.1Å
207	D	95.6	Very high	94.5	Very high	52 Å²	52	69.3 Å²	69.3	28%	0.278	35%	0.348	S	S	.	.	B	Isolated β-bridge	trans	-98.6	113.5	178.1	-65.7	-36.3	0	0	0	108.2	R205 F232 Y233 H287	R205-D207 IonicContact CZ-OD2 3.72Å; R205-D207 IonicContact NE-OD2 3.11Å; R205-D207 PolarHBondContact NE-OD2 2.79Å; D207-F232 WeakPolarHBondContact O-CA 3.44Å; D207-F232 WeakPolarHBondContact O-CB 3.32Å; D207-Y233 PolarHBondContact N-O 3.46Å; D207-Y233 PolarHBondContact O-N 3.37Å; D207-Y233 VanDerWaalsContact O-N 3.07Å; D207-H287 PolarHBondContact O-CE1 2.98Å; D207-H287 VanDerWaalsContact O-CE1 3.3Å
208	P	97.1	Very high	94.3	Very high	63 Å²	63	67.9 Å²	67.9	41%	0.409	34%	0.344	S	S	.	.			trans	-69.4	147.4	-178.5	26	-33	0	0	0	111.9	K210 L290	P208-K210 PolarHBondContact O-N 2.85Å; P208-L290 HydrophobicContact CB-CD2 3.89Å; P208-L290 HydrophobicContact CB-CG 4.47Å
209	P	97.9	Very high	94.1	Very high	9 Å²	9	68 Å²	68	6%	0.058	35%	0.348	C	S	.	.			trans	-65.4	132.4	178.6	27.1	-34.9	0	0	0	112.1	T211 A229 F232 I237 V285 H287 L290	P209-T211 HydrophobicContact CB-CG2 4.15Å; P209-T211 HydrophobicContact CG-CG2 4.33Å; P209-T211 PolarHBondContact O-N 3.33Å; P209-A229 HydrophobicContact CB-CB 3.85Å; P209-F232 HydrophobicContact CB-CB 3.87Å; P209-F232 HydrophobicContact CB-CD1 3.87Å; P209-F232 HydrophobicContact CB-CG 4.13Å; P209-I237 HydrophobicContact CB-CD1 4.02Å; P209-I237 HydrophobicContact CG-CD1 4.07Å; P209-V285 HydrophobicContact CG-CG1 3.93Å; P209-H287 HydrophobicContact CG-CB 4.05Å; P209-L290 HydrophobicContact CG-CD1 3.87Å; P209-L290 HydrophobicContact CG-CD2 4.43Å; P209-L290 HydrophobicContact CG-CG 4.2Å
210	K	97.9	Very high	93.8	Very high	157 Å²	157	74.8 Å²	74.8	68%	0.683	38%	0.384	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-79.1	108	164.6	-64.7	174.4	-173.3	168.4	0	108.1	P208 L230	P208-K210 PolarHBondContact O-N 2.85Å; K210-L230 PolarHBondContact N-O 2.88Å; K210-L230 PolarHBondContact O-N 2.69Å
211	T	97	Very high	93.7	Very high	38 Å²	38	76.4 Å²	76.4	23%	0.233	39%	0.393	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-102.5	139.6	-174.7	58.4	0	0	0	0	112.7	P209 W228 A229 V285 L294 L296	P209-T211 HydrophobicContact CB-CG2 4.15Å; P209-T211 HydrophobicContact CG-CG2 4.33Å; P209-T211 PolarHBondContact O-N 3.33Å; T211-W228 WeakPolarHBondContact CA-O 3.43Å; T211-A229 HydrophobicContact CG2-CB 4.47Å; T211-V285 HydrophobicContact CG2-CB 4.42Å; T211-V285 HydrophobicContact CG2-CG1 4.2Å; T211-V285 HydrophobicContact CG2-CG2 4.04Å; T211-L294 HydrophobicContact CG2-CD1 4.19Å; T211-L296 HydrophobicContact CG2-CD1 4.06Å
212	H	94.3	Very high	93.9	Very high	80 Å²	80	72.1 Å²	72.1	37%	0.37	37%	0.373	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-151.5	164.6	170.2	68.2	-78.4	0	0	0	110.6	W228	H212-W228 WeakPolarHBondContact CE1-CB 3.36Å; H212-W228 AromaticContact CE1-CD1 3.9Å; H212-W228 AromaticContact CE1-CG 3.55Å; H212-W228 PolarHBondContact N-O 2.97Å; H212-W228 AromaticContact NE2-CD1 3.49Å; H212-W228 AromaticContact NE2-CG 3.61Å; H212-W228 PolarHBondContact O-N 2.89Å
213	M	95	Very high	94	Very high	35 Å²	35	69.9 Å²	69.9	17%	0.172	36%	0.359	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-116.3	142.6	178.2	-70.5	-176.8	60.5	0	0	111.1	L225 R226 W241 L296 R297 W298	M213-L225 HydrophobicContact CE-CB 4.48Å; M213-L225 HydrophobicContact CE-CD1 4.38Å; M213-L225 HydrophobicContact CE-CD2 4.47Å; M213-R226 WeakPolarHBondContact CA-O 3.3Å; M213-W241 HydrophobicContact CE-CH2 3.37Å; M213-W241 HydrophobicContact CE-CZ2 4.25Å; M213-W241 HydrophobicContact CE-CZ3 4.13Å; M213-L296 HydrophobicContact CG-CB 4.26Å; M213-L296 HydrophobicContact SD-CB 3.72Å; M213-R297 VanDerWaalsContact SD-O 3.38Å; M213-W298 HydrophobicContact CE-CB 3.67Å; M213-W298 PolarHBondContact SD-N 2.99Å; M213-W298 VanDerWaalsContact SD-N 3.41Å
214	T	94.3	Very high	94.2	Very high	35 Å²	35	70.8 Å²	70.8	22%	0.215	37%	0.365	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-123.5	141.9	174	48.1	0	0	0	0	109.3	H216 R226 W228	T214-H216 VanDerWaalsContact CB-CE1 3.44Å; T214-H216 WeakPolarHBondContact CB-CE1 3.32Å; T214-H216 PolarHBondContact OG1-CE1 3.34Å; T214-R226 PolarHBondContact N-O 3.15Å; T214-R226 PolarHBondContact O-N 3.12Å; T214-R226 WeakPolarHBondContact OG1-CB 3.33Å; T214-R226 PolarHBondContact OG1-O 3.13Å; T214-W228 PolarHBondContact OG1-NE1 3.48Å; T214-W228 VanDerWaalsContact OG1-NE1 3.09Å
215	H	94.1	Very high	94.5	Very high	55 Å²	55	66.7 Å²	66.7	26%	0.255	35%	0.346	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-121.5	124.1	-178	168.6	-93.8	0	0	0	108.6	A223 T224 L225 E278 W298	H215-A223 WeakPolarHBondContact NE2-CB 3.46Å; H215-T224 WeakPolarHBondContact CA-O 3.43Å; H215-L225 HydrophobicContact CB-CD2 4.01Å; H215-E278 IonicContact NE2-OE1 2.83Å; H215-W298 HydrophobicContact CB-CD2 4.49Å; H215-W298 HydrophobicContact CB-CZ2 4Å; H215-W298 VanDerWaalsContact CB-NE1 3.34Å; H215-W298 AromaticContact CD2-CZ2 3.96Å; H215-W298 AromaticContact CG-CE2 3.81Å; H215-W298 AromaticContact CG-CZ2 3.69Å; H215-W298 AromaticContact ND1-CZ2 3.85Å
216	H	93.4	Very high	94.7	Very high	83 Å²	83	65.5 Å²	65.5	38%	0.384	34%	0.341	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-126.6	104.7	-177.5	-56.8	86.1	0	0	0	109	T214 I218 A223 T224 R226	T214-H216 VanDerWaalsContact CB-CE1 3.44Å; T214-H216 WeakPolarHBondContact CB-CE1 3.32Å; T214-H216 PolarHBondContact OG1-CE1 3.34Å; H216-I218 PolarHBondContact O-N 2.84Å; H216-A223 CarbonylContact O-C 3.48Å; H216-A223 WeakPolarHBondContact O-CA 3.24Å; H216-T224 PolarHBondContact N-O 2.83Å; H216-T224 PolarHBondContact O-N 3.3Å; H216-R226 PolarHBondContact CE1-NH1 2.87Å
217	P	93	Very high	95	Very high	97 Å²	97	62.5 Å²	62.5	63%	0.63	32%	0.323	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-57.7	130.7	172.6	-21.4	31.9	0	0	0	110.7
218	I	91.8	Very high	95.1	Very high	96 Å²	96	62.2 Å²	62.2	49%	0.492	32%	0.318	S	S	.	.			trans	-99.3	-44.5	174.9	-51.9	173.6	0	0	0	109.2	H216 E222 T224 V272	H216-I218 PolarHBondContact O-N 2.84Å; I218-E222 PolarHBondContact N-O 3.28Å; I218-T224 VanDerWaalsContact CD1-OG1 3.26Å; I218-T224 WeakPolarHBondContact CD1-OG1 3.32Å; I218-V272 HydrophobicContact CD1-CG1 3.95Å; I218-V272 HydrophobicContact CD1-CG2 4.06Å
219	S	92.1	Very high	95.1	Very high	53 Å²	53	59.2 Å²	59.2	37%	0.371	30%	0.298	S	S	.	.	S	Bend	trans	-147.6	-179	177.7	72.4	0	0	0	0	110.2	H221 E222	S219-H221 PolarHBondContact O-N 3.19Å; S219-H221 PolarHBondContact OG-N 3.16Å; S219-H221 VanDerWaalsContact OG-N 3.16Å; S219-E222 PolarHBondContact N-O 3.37Å; S219-E222 VanDerWaalsContact O-O 3.09Å; S219-E222 PolarHBondContact OG-N 3.13Å
220	D	89.4	Confident	95.1	Very high	147 Å²	147	61.4 Å²	61.4	79%	0.786	31%	0.309	S	S	*	.	S	Bend	trans	-62.5	-20	172.7	-65.3	-22.8	0	0	0	112.5	S275	D220-S275 WeakPolarHBondContact O-CB 3.35Å; D220-S275 PolarHBondContact O-OG 2.85Å
221	H	92.5	Very high	95.1	Very high	145 Å²	145	55.1 Å²	55.1	67%	0.671	29%	0.289	S	S	*	.	S	Bend	trans	-105.5	-16.1	-174.6	-56.6	-50.6	0	0	0	114.1	S219 P274 S275	S219-H221 PolarHBondContact O-N 3.19Å; S219-H221 PolarHBondContact OG-N 3.16Å; S219-H221 VanDerWaalsContact OG-N 3.16Å; H221-P274 CarbonylContact O-C 3.56Å; H221-P274 WeakPolarHBondContact O-CA 3.29Å; H221-S275 PolarHBondContact O-N 3.29Å; H221-S275 PolarHBondContact O-OG 2.97Å
222	E	94.8	Very high	95.2	Very high	92 Å²	92	53.3 Å²	53.3	43%	0.43	28%	0.278	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-145	146.4	-171.5	-66.5	-179.4	166.9	0	0	112.7	I218 S219 V272 V273 S275	I218-E222 PolarHBondContact N-O 3.28Å; S219-E222 PolarHBondContact N-O 3.37Å; S219-E222 VanDerWaalsContact O-O 3.09Å; S219-E222 PolarHBondContact OG-N 3.13Å; E222-V272 HydrophobicContact CB-CG1 4.08Å; E222-V272 HydrophobicContact CG-CG1 4.31Å; E222-V273 WeakPolarHBondContact CA-O 3.3Å; E222-S275 PolarHBondContact N-OG 3.25Å
223	A	95.1	Very high	95.2	Very high	1 Å²	1	49.7 Å²	49.7	1%	0.008	26%	0.261	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-135.6	153.3	172.1	0	0	0	0	0	111.2	H215 H216 V273	H215-A223 WeakPolarHBondContact NE2-CB 3.46Å; H216-A223 CarbonylContact O-C 3.48Å; H216-A223 WeakPolarHBondContact O-CA 3.24Å; A223-V273 HydrophobicContact CB-CG2 4.49Å; A223-V273 PolarHBondContact N-O 3.25Å; A223-V273 WeakPolarHBondContact O-CG2 3.24Å; A223-V273 PolarHBondContact O-N 2.8Å
224	T	96.8	Very high	95.2	Very high	23 Å²	23	48.9 Å²	48.9	14%	0.141	26%	0.258	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-91.4	121.6	168	-52.2	0	0	0	0	109.7	H215 H216 I218 A270 V271	H215-T224 WeakPolarHBondContact CA-O 3.43Å; H216-T224 PolarHBondContact N-O 2.83Å; H216-T224 PolarHBondContact O-N 3.3Å; I218-T224 VanDerWaalsContact CD1-OG1 3.26Å; I218-T224 WeakPolarHBondContact CD1-OG1 3.32Å; T224-A270 HydrophobicContact CG2-CB 3.86Å; T224-V271 WeakPolarHBondContact CA-O 3.42Å
225	L	96.9	Very high	95.3	Very high	0 Å²	0	47.8 Å²	47.8	0%	0	25%	0.253	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-93.3	126.7	162.9	-66.2	-179.4	0	0	0	109.2	M213 H215 W241 A270 V271 V273 E278 W298	M213-L225 HydrophobicContact CE-CB 4.48Å; M213-L225 HydrophobicContact CE-CD1 4.38Å; M213-L225 HydrophobicContact CE-CD2 4.47Å; H215-L225 HydrophobicContact CB-CD2 4.01Å; L225-W241 HydrophobicContact CB-CH2 3.59Å; L225-W241 HydrophobicContact CB-CZ2 3.87Å; L225-W241 HydrophobicContact CD1-CH2 4.03Å; L225-W241 HydrophobicContact CD1-CZ3 4.31Å; L225-W241 HydrophobicContact CG-CH2 4.47Å; L225-A270 CarbonylContact O-C 3.53Å; L225-A270 WeakPolarHBondContact O-CA 3.43Å; L225-V271 HydrophobicContact CB-CG1 4.33Å; L225-V271 PolarHBondContact N-O 3.16Å; L225-V271 PolarHBondContact O-N 2.69Å; L225-V273 HydrophobicContact CD1-CG1 3.97Å; L225-V273 HydrophobicContact CD1-CG2 3.98Å; L225-V273 HydrophobicContact CG-CG1 4.23Å; L225-V273 HydrophobicContact CG-CG2 3.85Å; L225-E278 HydrophobicContact CD1-CB 4.02Å; L225-E278 HydrophobicContact CD1-CG 4.38Å; L225-E278 HydrophobicContact CD2-CG 4.35Å; L225-W298 HydrophobicContact CD1-CB 4.42Å; L225-W298 HydrophobicContact CD2-CB 3.96Å; L225-W298 HydrophobicContact CD2-CD2 4.3Å; L225-W298 HydrophobicContact CD2-CG 3.87Å
226	R	97.5	Very high	95.4	Very high	51 Å²	51	50.6 Å²	50.6	19%	0.192	27%	0.267	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-122.3	120.8	176.7	-175.4	-179.8	-64.3	117.6	2.3	110.6	M213 T214 H216 W228 W268 A270	M213-R226 WeakPolarHBondContact CA-O 3.3Å; T214-R226 PolarHBondContact N-O 3.15Å; T214-R226 PolarHBondContact O-N 3.12Å; T214-R226 WeakPolarHBondContact OG1-CB 3.33Å; T214-R226 PolarHBondContact OG1-O 3.13Å; H216-R226 PolarHBondContact CE1-NH1 2.87Å; R226-W228 VanDerWaalsContact CD-CE2 3.41Å; R226-W228 VanDerWaalsContact CD-CZ2 3.44Å; R226-W228 VanDerWaalsContact CD-NE1 3.34Å; R226-W228 HydrophobicContact CG-CZ2 4.48Å; R226-W268 HydrophobicContact CG-CB 4.07Å; R226-W268 HydrophobicContact CG-CD2 4.16Å; R226-W268 HydrophobicContact CG-CE3 3.88Å; R226-W268 HydrophobicContact CG-CG 4.29Å; R226-A270 HydrophobicContact CB-CB 4.04Å; R226-A270 HydrophobicContact CG-CB 4.09Å
227	C	97.6	Very high	95.5	Very high	0 Å²	0	47.1 Å²	47.1	0%	0	25%	0.251	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-93.8	121.8	175.4	-174.3	0	0	0	0	109.5	W241 W268 A269 C283	C227-W241 HydrophobicContact CB-CZ2 3.79Å; C227-W268 CarbonylContact O-C 3.56Å; C227-W268 WeakPolarHBondContact O-CA 3.43Å; C227-W268 VanDerWaalsContact O-CB 3.22Å; C227-W268 WeakPolarHBondContact O-CB 3.24Å; C227-A269 PolarHBondContact N-O 3.23Å; C227-A269 PolarHBondContact O-N 2.94Å; C227-C283 HydrophobicContact CB-CB 3.5Å; C227-C283 WeakPolarHBondContact CB-SG 3.48Å; C227-C283 WeakPolarHBondContact SG-CB 3.33Å; C227-C283 CovalentContact SG-SG 2.03Å; C227-C283 PolarHBondContact SG-SG 2.83Å
228	W	98.1	Very high	95.7	Very high	46 Å²	46	44.5 Å²	44.5	17%	0.174	23%	0.233	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-106.5	141.7	-179.2	-71.1	88.5	0	0	0	110.6	T211 H212 T214 R226 L230 W268	T211-W228 WeakPolarHBondContact CA-O 3.43Å; H212-W228 WeakPolarHBondContact CE1-CB 3.36Å; H212-W228 AromaticContact CE1-CD1 3.9Å; H212-W228 AromaticContact CE1-CG 3.55Å; H212-W228 PolarHBondContact N-O 2.97Å; H212-W228 AromaticContact NE2-CD1 3.49Å; H212-W228 AromaticContact NE2-CG 3.61Å; H212-W228 PolarHBondContact O-N 2.89Å; T214-W228 PolarHBondContact OG1-NE1 3.48Å; T214-W228 VanDerWaalsContact OG1-NE1 3.09Å; R226-W228 VanDerWaalsContact CD-CE2 3.41Å; R226-W228 VanDerWaalsContact CD-CZ2 3.44Å; R226-W228 VanDerWaalsContact CD-NE1 3.34Å; R226-W228 HydrophobicContact CG-CZ2 4.48Å; W228-L230 HydrophobicContact CE3-CD2 3.91Å; W228-L230 HydrophobicContact CZ3-CD2 4.43Å; W228-W268 HydrophobicContact CD2-CB 3.91Å; W228-W268 HydrophobicContact CD2-CG 4.39Å; W228-W268 HydrophobicContact CE3-CB 3.88Å; W228-W268 AromaticContact CE3-CD1 3.85Å; W228-W268 HydrophobicContact CE3-CG 4.17Å; W228-W268 HydrophobicContact CG-CB 4.31Å; W228-W268 AromaticContact CH2-CD1 3.59Å; W228-W268 HydrophobicContact CH2-CG 4.23Å; W228-W268 HydrophobicContact CZ2-CG 4.44Å; W228-W268 HydrophobicContact CZ3-CB 4.32Å; W228-W268 AromaticContact CZ3-CD1 3.4Å; W228-W268 VanDerWaalsContact CZ3-CD1 3.4Å; W228-W268 HydrophobicContact CZ3-CG 4.1Å
229	A	98.3	Very high	96	Very high	0 Å²	0	40.2 Å²	40.2	0%	0	21%	0.211	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-125.6	123.1	164.5	0	0	0	0	0	107.9	P209 T211 F232 I237 L239 Q266 K267	P209-A229 HydrophobicContact CB-CB 3.85Å; T211-A229 HydrophobicContact CG2-CB 4.47Å; A229-F232 HydrophobicContact CB-CD1 4.1Å; A229-F232 HydrophobicContact CB-CE1 3.84Å; A229-F232 WeakPolarHBondContact O-CE1 3.37Å; A229-I237 HydrophobicContact CB-CD1 3.74Å; A229-L239 HydrophobicContact CB-CD1 4.08Å; A229-L239 HydrophobicContact CB-CD2 4.22Å; A229-Q266 VanDerWaalsContact O-CA 3.31Å; A229-Q266 WeakPolarHBondContact O-CA 3.48Å; A229-K267 PolarHBondContact N-O 2.84Å; A229-K267 PolarHBondContact O-N 3.12Å; A229-K267 VanDerWaalsContact O-O 3.07Å
230	L	98.2	Very high	96.2	Very high	55 Å²	55	39.7 Å²	39.7	29%	0.288	21%	0.205	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-130.8	148.7	-174.9	-59.5	178.8	0	0	0	111.3	K210 W228 F232 Q266	K210-L230 PolarHBondContact N-O 2.88Å; K210-L230 PolarHBondContact O-N 2.69Å; W228-L230 HydrophobicContact CE3-CD2 3.91Å; W228-L230 HydrophobicContact CZ3-CD2 4.43Å; L230-F232 PolarHBondContact O-N 3.33Å; L230-Q266 HydrophobicContact CD2-CB 3.52Å
231	G	97.6	Very high	96.6	Very high	25 Å²	25	32.8 Å²	32.8	26%	0.258	17%	0.168	S	C	.	.	E	Extended strand (participates in β ladder)	trans	68.6	32.2	167.6	0	0	0	0	0	113.9	F265	G231-F265 PolarHBondContact N-O 3.42Å
232	F	97.6	Very high	96.8	Very high	0 Å²	0	27.9 Å²	27.9	0%	0	15%	0.146	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-102.7	155.7	179.6	58.5	-89.6	0	0	0	112.6	D207 P209 A229 L230 P234 I237 T257 T264 F265 K267 H287	D207-F232 WeakPolarHBondContact O-CA 3.44Å; D207-F232 WeakPolarHBondContact O-CB 3.32Å; P209-F232 HydrophobicContact CB-CB 3.87Å; P209-F232 HydrophobicContact CB-CD1 3.87Å; P209-F232 HydrophobicContact CB-CG 4.13Å; A229-F232 HydrophobicContact CB-CD1 4.1Å; A229-F232 HydrophobicContact CB-CE1 3.84Å; A229-F232 WeakPolarHBondContact O-CE1 3.37Å; L230-F232 PolarHBondContact O-N 3.33Å; F232-P234 WeakPolarHBondContact CD2-O 3.16Å; F232-I237 HydrophobicContact CD1-CD1 3.89Å; F232-I237 HydrophobicContact CD2-CB 4.27Å; F232-I237 HydrophobicContact CD2-CD1 3.97Å; F232-I237 HydrophobicContact CE1-CD1 3.77Å; F232-I237 HydrophobicContact CE1-CG2 4.48Å; F232-I237 HydrophobicContact CE2-CB 3.74Å; F232-I237 HydrophobicContact CE2-CD1 3.89Å; F232-I237 HydrophobicContact CE2-CG1 4.39Å; F232-I237 HydrophobicContact CE2-CG2 3.58Å; F232-I237 HydrophobicContact CG-CD1 4Å; F232-I237 HydrophobicContact CZ-CB 4.13Å; F232-I237 HydrophobicContact CZ-CD1 3.81Å; F232-I237 HydrophobicContact CZ-CG2 3.55Å; F232-T257 HydrophobicContact CE2-CG2 4.12Å; F232-T257 HydrophobicContact CZ-CG2 3.97Å; F232-T264 WeakPolarHBondContact O-CA 3.37Å; F232-F265 WeakPolarHBondContact CD1-O 3.26Å; F232-F265 HydrophobicContact CD2-CB 3.92Å; F232-F265 HydrophobicContact CE1-CB 4.31Å; F232-F265 WeakPolarHBondContact CE1-O 3.49Å; F232-F265 HydrophobicContact CE2-CB 3.47Å; F232-F265 VanDerWaalsContact CE2-CB 3.47Å; F232-F265 HydrophobicContact CE2-CG 4.49Å; F232-F265 HydrophobicContact CG-CB 4.49Å; F232-F265 HydrophobicContact CZ-CB 3.67Å; F232-F265 PolarHBondContact N-O 2.79Å; F232-F265 PolarHBondContact O-N 3.19Å; F232-K267 HydrophobicContact CE1-CB 4.39Å; F232-K267 HydrophobicContact CZ-CB 4.1Å; F232-H287 AromaticContact CD2-CD2 3.85Å; F232-H287 AromaticContact CD2-NE2 3.7Å
233	Y	95.9	Very high	96.9	Very high	4 Å²	4	26.8 Å²	26.8	2%	0.016	14%	0.138	C	C	.	.	B	Isolated β-bridge	trans	-151.4	135.2	173.4	178.6	-84.2	0	0	0	109	D54 T55 R205 T206 D207 G263 F265 H287	D54-Y233 HydrophobicContact CB-CE2 4.25Å; T55-Y233 WeakPolarHBondContact OG1-CE2 3.39Å; T55-Y233 PolarHBondContact OG1-OH 2.91Å; R205-Y233 HydrophobicContact CG-CD1 3.82Å; R205-Y233 HydrophobicContact CG-CE1 4.2Å; R205-Y233 VanDerWaalsContact O-CD1 3.28Å; R205-Y233 WeakPolarHBondContact O-CD1 3.38Å; T206-Y233 WeakPolarHBondContact CA-O 3.46Å; D207-Y233 PolarHBondContact N-O 3.46Å; D207-Y233 PolarHBondContact O-N 3.37Å; D207-Y233 VanDerWaalsContact O-N 3.07Å; Y233-G263 WeakPolarHBondContact CD2-O 3.45Å; Y233-F265 HydrophobicContact CD2-CD2 4.44Å; Y233-F265 AromaticContact CD2-CE2 3.98Å; Y233-F265 HydrophobicContact CD2-CE2 3.98Å; Y233-F265 HydrophobicContact CE2-CE2 4.46Å; Y233-H287 PolarHBondContact O-CE1 3.26Å
234	P	95	Very high	96.8	Very high	18 Å²	18	31.7 Å²	31.7	12%	0.117	16%	0.164	C	C	.	.	S	Bend	cis	-72.5	178.4	3.9	30.6	-36.8	0	0	0	113.7	D54 F232 E236 H287	D54-P234 WeakPolarHBondContact OD2-CB 3.46Å; F232-P234 WeakPolarHBondContact CD2-O 3.16Å; P234-E236 VanDerWaalsContact C-N 3.33Å; P234-E236 PolarHBondContact O-N 3.36Å; P234-H287 PolarHBondContact O-NE2 2.84Å
235	A	96.3	Very high	96.5	Very high	13 Å²	13	32.9 Å²	32.9	11%	0.107	18%	0.181	C	C	.	.	S	Bend	trans	-69.9	-28	-175.3	0	0	0	0	0	113.7	D54 I237 T257 F265	D54-A235 HydrophobicContact CB-CB 4.23Å; D54-A235 VanDerWaalsContact CG-CB 3.49Å; D54-A235 VanDerWaalsContact OD2-CB 3.3Å; D54-A235 WeakPolarHBondContact OD2-CB 3.35Å; D54-A235 PolarHBondContact OD2-N 3.37Å; A235-I237 PolarHBondContact O-N 3.12Å; A235-T257 HydrophobicContact CB-CG2 4.32Å; A235-T257 WeakPolarHBondContact O-CG2 3.35Å; A235-F265 HydrophobicContact CB-CD1 3.65Å; A235-F265 HydrophobicContact CB-CD2 3.66Å; A235-F265 HydrophobicContact CB-CE1 3.62Å; A235-F265 HydrophobicContact CB-CE2 3.64Å; A235-F265 HydrophobicContact CB-CG 3.68Å; A235-F265 HydrophobicContact CB-CZ 3.66Å
236	E	95.5	Very high	96.4	Very high	114 Å²	114	39.9 Å²	39.9	53%	0.533	21%	0.213	S	C	.	.			trans	-62.7	122.1	179.1	-168.6	53.9	-138.8	0	0	109.2	W23 P234 H287	W23-E236 HydrophobicContact CD2-CG 4.46Å; W23-E236 HydrophobicContact CE3-CB 4.45Å; W23-E236 HydrophobicContact CE3-CG 4.05Å; W23-E236 HydrophobicContact CH2-CB 4.25Å; W23-E236 HydrophobicContact CH2-CG 3.42Å; W23-E236 VanDerWaalsContact CH2-CG 3.42Å; W23-E236 HydrophobicContact CZ2-CG 3.79Å; W23-E236 HydrophobicContact CZ3-CB 3.94Å; W23-E236 HydrophobicContact CZ3-CG 3.54Å; W23-E236 VanDerWaalsContact CZ3-O 3.29Å; W23-E236 WeakPolarHBondContact CZ3-O 3.36Å; P234-E236 VanDerWaalsContact C-N 3.33Å; P234-E236 PolarHBondContact O-N 3.36Å; E236-H287 PolarHBondContact O-CD2 2.97Å
237	I	96.3	Very high	96.2	Very high	9 Å²	9	42.2 Å²	42.2	5%	0.046	23%	0.23	C	C	.	.			trans	-157.7	143.1	-177.1	-165.2	171.7	0	0	0	109.2	P209 A229 F232 A235 L239 K267 V285 Q286 H287	P209-I237 HydrophobicContact CB-CD1 4.02Å; P209-I237 HydrophobicContact CG-CD1 4.07Å; A229-I237 HydrophobicContact CB-CD1 3.74Å; F232-I237 HydrophobicContact CD1-CD1 3.89Å; F232-I237 HydrophobicContact CD2-CB 4.27Å; F232-I237 HydrophobicContact CD2-CD1 3.97Å; F232-I237 HydrophobicContact CE1-CD1 3.77Å; F232-I237 HydrophobicContact CE1-CG2 4.48Å; F232-I237 HydrophobicContact CE2-CB 3.74Å; F232-I237 HydrophobicContact CE2-CD1 3.89Å; F232-I237 HydrophobicContact CE2-CG1 4.39Å; F232-I237 HydrophobicContact CE2-CG2 3.58Å; F232-I237 HydrophobicContact CG-CD1 4Å; F232-I237 HydrophobicContact CZ-CB 4.13Å; F232-I237 HydrophobicContact CZ-CD1 3.81Å; F232-I237 HydrophobicContact CZ-CG2 3.55Å; A235-I237 PolarHBondContact O-N 3.12Å; I237-L239 HydrophobicContact CD1-CD1 3.66Å; I237-L239 HydrophobicContact CG1-CD1 3.67Å; I237-L239 HydrophobicContact CG2-CD1 4.14Å; I237-K267 HydrophobicContact CG2-CB 4.24Å; I237-K267 HydrophobicContact CG2-CD 3.59Å; I237-V285 HydrophobicContact CD1-CG1 4.03Å; I237-V285 HydrophobicContact CG1-CG1 4.38Å; I237-Q286 VanDerWaalsContact CG1-O 3.28Å; I237-Q286 WeakPolarHBondContact CG1-O 3.2Å; I237-H287 HydrophobicContact CD1-CB 4.34Å; I237-H287 HydrophobicContact CG1-CB 4.09Å
238	T	97.1	Very high	96.1	Very high	42 Å²	42	43.3 Å²	43.3	26%	0.258	24%	0.235	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-114.6	123.2	174.7	-61.4	0	0	0	0	110.5	T240 V285 Q286	T238-T240 HydrophobicContact CG2-CG2 3.98Å; T238-V285 WeakPolarHBondContact O-CA 3.46Å; T238-Q286 PolarHBondContact N-O 3.22Å; T238-Q286 PolarHBondContact O-N 2.72Å
239	L	97.4	Very high	95.6	Very high	7 Å²	7	46.3 Å²	46.3	4%	0.037	26%	0.258	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-117.4	121.9	172.4	-86.9	62.8	0	0	0	108.5	A229 I237 L254 K267 A269 H284 V285	A229-L239 HydrophobicContact CB-CD1 4.08Å; A229-L239 HydrophobicContact CB-CD2 4.22Å; I237-L239 HydrophobicContact CD1-CD1 3.66Å; I237-L239 HydrophobicContact CG1-CD1 3.67Å; I237-L239 HydrophobicContact CG2-CD1 4.14Å; L239-L254 HydrophobicContact CB-CD1 4.14Å; L239-K267 HydrophobicContact CD1-CD 4.29Å; L239-K267 HydrophobicContact CD2-CB 4.36Å; L239-K267 HydrophobicContact CD2-CG 4.41Å; L239-A269 HydrophobicContact CB-CB 4.07Å; L239-A269 HydrophobicContact CD2-CB 4.28Å; L239-H284 WeakPolarHBondContact CA-O 3.34Å; L239-V285 HydrophobicContact CD1-CG1 4.06Å; L239-V285 HydrophobicContact CG-CG2 4.31Å
240	T	96.7	Very high	95.2	Very high	41 Å²	41	55.4 Å²	55.4	25%	0.252	30%	0.301	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-131.1	150.1	175.9	59.6	0	0	0	0	111.8	T238 C283 H284	T238-T240 HydrophobicContact CG2-CG2 3.98Å; T240-C283 CarbonylContact O-C 3.55Å; T240-C283 WeakPolarHBondContact O-CA 3.45Å; T240-H284 PolarHBondContact N-O 2.86Å; T240-H284 PolarHBondContact O-N 2.89Å
241	W	97.3	Very high	94.7	Very high	2 Å²	2	58.1 Å²	58.1	1%	0.008	32%	0.316	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-105.8	137.4	171.4	-83.3	105.6	0	0	0	110.3	M213 L225 C227 Q248 A269 V271 T282 C283	M213-W241 HydrophobicContact CE-CH2 3.37Å; M213-W241 HydrophobicContact CE-CZ2 4.25Å; M213-W241 HydrophobicContact CE-CZ3 4.13Å; L225-W241 HydrophobicContact CB-CH2 3.59Å; L225-W241 HydrophobicContact CB-CZ2 3.87Å; L225-W241 HydrophobicContact CD1-CH2 4.03Å; L225-W241 HydrophobicContact CD1-CZ3 4.31Å; L225-W241 HydrophobicContact CG-CH2 4.47Å; C227-W241 HydrophobicContact CB-CZ2 3.79Å; W241-Q248 HydrophobicContact CB-CB 4.16Å; W241-Q248 PolarHBondContact O-N 2.85Å; W241-A269 VanDerWaalsContact NE1-C 3.34Å; W241-A269 PolarHBondContact NE1-O 2.75Å; W241-V271 HydrophobicContact CD2-CB 4.43Å; W241-V271 HydrophobicContact CD2-CG1 3.65Å; W241-V271 HydrophobicContact CE3-CG1 3.95Å; W241-V271 HydrophobicContact CG-CB 4.25Å; W241-V271 HydrophobicContact CG-CG1 3.96Å; W241-V271 HydrophobicContact CH2-CG1 4.29Å; W241-V271 HydrophobicContact CZ2-CG1 4.1Å; W241-V271 HydrophobicContact CZ3-CG1 4.28Å; W241-T282 WeakPolarHBondContact CA-O 3.41Å; W241-T282 VanDerWaalsContact CE3-C 3.43Å; W241-T282 VanDerWaalsContact CE3-O 3.29Å; W241-C283 HydrophobicContact CD2-CB 4.2Å; W241-C283 HydrophobicContact CE3-CB 4.14Å; W241-C283 HydrophobicContact CH2-CB 4.16Å; W241-C283 HydrophobicContact CZ2-CB 4.15Å; W241-C283 HydrophobicContact CZ3-CB 4.11Å
242	Q	97	Very high	94.5	Very high	42 Å²	42	58 Å²	58	20%	0.196	31%	0.31	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-124.4	144.7	172	-69	-174.4	-7.8	0	0	110.4	E246 D247 Y281 T282 H284	Q242-E246 CarbonylContact C-O 3.53Å; Q242-E246 VanDerWaalsContact CA-O 3.24Å; Q242-E246 WeakPolarHBondContact CA-O 3.45Å; Q242-D247 VanDerWaalsContact CG-OD1 3.23Å; Q242-D247 WeakPolarHBondContact CG-OD1 3.44Å; Q242-D247 PolarHBondContact NE2-OD1 2.87Å; Q242-Y281 CarbonylContact O-C 3.54Å; Q242-Y281 VanDerWaalsContact O-CA 3.26Å; Q242-Y281 WeakPolarHBondContact O-CA 3.48Å; Q242-T282 PolarHBondContact N-O 3.43Å; Q242-T282 PolarHBondContact O-N 3.19Å; Q242-H284 PolarHBondContact OE1-NE2 2.96Å; Q242-H284 VanDerWaalsContact OE1-NE2 3.17Å
243	R	96.4	Very high	94.5	Very high	70 Å²	70	63.2 Å²	63.2	26%	0.264	34%	0.335	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-116.1	117	168.4	-176.3	-172.8	-176.1	178.4	0	108.1	G245 E246 Q248 E277 R280 Y281	R243-G245 PolarHBondContact O-N 2.83Å; R243-E246 PolarHBondContact N-O 3.11Å; R243-E246 PolarHBondContact O-N 3.29Å; R243-Q248 HydrophobicContact CB-CG 3.96Å; R243-E277 IonicContact CZ-OE2 2.83Å; R243-E277 IonicContact NE-OE2 3.67Å; R243-E277 IonicContact NH2-OE1 3.35Å; R243-E277 IonicContact NH2-OE2 3.89Å; R243-E277 PolarHBondContact NH2-OE2 3.14Å; R243-R280 WeakPolarHBondContact CA-O 3.3Å; R243-R280 HydrophobicContact CG-CB 4.36Å; R243-Y281 HydrophobicContact CB-CD1 4.11Å; R243-Y281 HydrophobicContact CB-CE1 3.92Å; R243-Y281 WeakPolarHBondContact CD-OH 3.36Å; R243-Y281 HydrophobicContact CG-CD1 4.45Å; R243-Y281 HydrophobicContact CG-CD2 4.47Å; R243-Y281 HydrophobicContact CG-CE1 4.09Å; R243-Y281 HydrophobicContact CG-CE2 4.08Å
244	D	93.8	Very high	94.5	Very high	103 Å²	103	67.3 Å²	67.3	55%	0.551	36%	0.356	S	S	*	.	T	Hydrogen-bonded Turn	trans	50.3	28.9	-174.9	-54.7	-49.2	0	0	0	114.4	R280	D244-R280 PolarHBondContact N-O 2.89Å; D244-R280 WeakPolarHBondContact OD1-CB 3.48Å; D244-R280 IonicContact OD1-NE 3.49Å; D244-R280 PolarHBondContact OD1-NE 3.46Å; D244-R280 IonicContact OD2-CZ 3.09Å; D244-R280 IonicContact OD2-NE 2.77Å; D244-R280 PolarHBondContact OD2-NE 2.95Å; D244-R280 IonicContact OD2-NH2 2.63Å; D244-R280 PolarHBondContact OD2-NH2 2.93Å
245	G	89.9	Confident	94.6	Very high	49 Å²	49	68 Å²	68	51%	0.505	36%	0.36	S	S	.	.	T	Hydrogen-bonded Turn	trans	91.3	-0.8	-177.7	0	0	0	0	0	115.6	R243	R243-G245 PolarHBondContact O-N 2.83Å
246	E	94.6	Very high	94.6	Very high	146 Å²	146	75.2 Å²	75.2	68%	0.682	39%	0.391	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-97.3	127.7	175.3	-63.2	-173.6	171.6	0	0	111.7	Q242 R243 Q248	Q242-E246 CarbonylContact C-O 3.53Å; Q242-E246 VanDerWaalsContact CA-O 3.24Å; Q242-E246 WeakPolarHBondContact CA-O 3.45Å; R243-E246 PolarHBondContact N-O 3.11Å; R243-E246 PolarHBondContact O-N 3.29Å; E246-Q248 PolarHBondContact O-NE2 2.89Å
247	D	94.4	Very high	94.7	Very high	100 Å²	100	71.7 Å²	71.7	54%	0.535	38%	0.378	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-62.4	134.8	-178.8	-68.5	-28.7	0	0	0	112.4	Q242	Q242-D247 VanDerWaalsContact CG-OD1 3.23Å; Q242-D247 WeakPolarHBondContact CG-OD1 3.44Å; Q242-D247 PolarHBondContact NE2-OD1 2.87Å
248	Q	94.4	Very high	94.7	Very high	24 Å²	24	75.8 Å²	75.8	11%	0.112	39%	0.393	C	S	.	.			trans	-106.1	36.8	-176.9	-58.1	-61.2	-69.8	0	0	112.3	W241 R243 E246 Q250 D251 T252 Y281	W241-Q248 HydrophobicContact CB-CB 4.16Å; W241-Q248 PolarHBondContact O-N 2.85Å; R243-Q248 HydrophobicContact CB-CG 3.96Å; E246-Q248 PolarHBondContact O-NE2 2.89Å; Q248-Q250 VanDerWaalsContact C-N 3.31Å; Q248-Q250 PolarHBondContact O-N 2.79Å; Q248-D251 PolarHBondContact O-N 3.34Å; Q248-T252 WeakPolarHBondContact O-CB 3.3Å; Q248-T252 PolarHBondContact O-N 3.09Å; Q248-T252 VanDerWaalsContact O-N 3.07Å; Q248-T252 PolarHBondContact O-OG1 2.79Å; Q248-Y281 HydrophobicContact CG-CE1 4.39Å
249	T	88.9	Confident	94.7	Very high	108 Å²	108	78.2 Å²	78.2	66%	0.663	41%	0.409	S	S	*	.	T	Hydrogen-bonded Turn	trans	-58.3	-36.8	-169	-48.8	0	0	0	0	114.1
250	Q	89.1	Confident	94.7	Very high	192 Å²	192	80.3 Å²	80.3	90%	0.897	43%	0.427	S	S	*	.	T	Hydrogen-bonded Turn	trans	-75.4	-31.9	-178.6	-66.2	-174.8	9.1	0	0	113	Q248 T252	Q248-Q250 VanDerWaalsContact C-N 3.31Å; Q248-Q250 PolarHBondContact O-N 2.79Å; Q250-T252 VanDerWaalsContact C-N 3.34Å
251	D	87.3	Confident	94.5	Very high	111 Å²	111	82 Å²	82	59%	0.594	45%	0.454	S	S	*	.	T	Hydrogen-bonded Turn	trans	-93.2	0.3	-177.8	-56.9	-51.4	0	0	0	112.5	Q248	Q248-D251 PolarHBondContact O-N 3.34Å
252	T	94.7	Very high	94.3	Very high	23 Å²	23	87.2 Å²	87.2	14%	0.141	48%	0.482	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-93.8	120.7	179.7	-64	0	0	0	0	110.7	Q248 Q250 L254 A269 A270	Q248-T252 WeakPolarHBondContact O-CB 3.3Å; Q248-T252 PolarHBondContact O-N 3.09Å; Q248-T252 VanDerWaalsContact O-N 3.07Å; Q248-T252 PolarHBondContact O-OG1 2.79Å; Q250-T252 VanDerWaalsContact C-N 3.34Å; T252-L254 HydrophobicContact CG2-CB 4.33Å; T252-L254 PolarHBondContact O-N 2.86Å; T252-A269 HydrophobicContact CG2-CB 3.97Å; T252-A270 CarbonylContact C-O 3.59Å; T252-A270 WeakPolarHBondContact CA-O 3.42Å
253	E	96.4	Very high	94.1	Very high	110 Å²	110	87.1 Å²	87.1	51%	0.514	49%	0.492	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-76.6	106.1	162.6	-173.9	-174	-169.4	0	0	108.9	W268 A269 A270	E253-W268 HydrophobicContact CB-CZ3 4.26Å; E253-W268 HydrophobicContact CG-CH2 3.9Å; E253-W268 HydrophobicContact CG-CZ3 3.82Å; E253-W268 WeakPolarHBondContact OE1-CH2 3.45Å; E253-W268 WeakPolarHBondContact OE2-CH2 3.29Å; E253-A269 CarbonylContact O-C 3.57Å; E253-A269 WeakPolarHBondContact O-CA 3.17Å; E253-A270 HydrophobicContact CB-CB 4.38Å; E253-A270 PolarHBondContact N-O 3.24Å; E253-A270 PolarHBondContact O-N 3.49Å
254	L	96.5	Very high	94.1	Very high	89 Å²	89	84.5 Å²	84.5	47%	0.466	48%	0.484	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-111.5	120.7	178.2	-174.7	67.6	0	0	0	109.9	L239 T252 K267 A269	L239-L254 HydrophobicContact CB-CD1 4.14Å; T252-L254 HydrophobicContact CG2-CB 4.33Å; T252-L254 PolarHBondContact O-N 2.86Å; L254-K267 HydrophobicContact CD1-CD 4.47Å; L254-A269 HydrophobicContact CD1-CB 3.65Å
255	V	96.5	Very high	94.3	Very high	32 Å²	32	80.8 Å²	80.8	19%	0.194	46%	0.463	C	S	.	.	P	Polyproline II helix	trans	-85	151.3	175	-64.8	0	0	0	0	112.4	K267 W268	V255-K267 HydrophobicContact CG2-CG 4.41Å; V255-K267 VanDerWaalsContact O-CE 3.26Å; V255-K267 WeakPolarHBondContact O-CE 3.49Å; V255-K267 WeakPolarHBondContact O-CG 3.19Å; V255-K267 PolarHBondContact O-NZ 3.49Å; V255-W268 HydrophobicContact CB-CZ2 4.39Å; V255-W268 HydrophobicContact CG1-CD2 3.98Å; V255-W268 HydrophobicContact CG1-CE3 4.29Å; V255-W268 HydrophobicContact CG1-CH2 3.57Å; V255-W268 HydrophobicContact CG1-CZ2 3.17Å; V255-W268 HydrophobicContact CG1-CZ3 4.09Å; V255-W268 HydrophobicContact CG2-CD2 3.76Å; V255-W268 HydrophobicContact CG2-CE3 4.49Å; V255-W268 HydrophobicContact CG2-CG 3.75Å; V255-W268 HydrophobicContact CG2-CZ2 4.39Å; V255-W268 WeakPolarHBondContact CG2-O 3.4Å; V255-W268 PolarHBondContact N-O 2.86Å
256	E	96.4	Very high	94.7	Very high	165 Å²	165	80.6 Å²	80.6	77%	0.771	45%	0.449	S	S	*	.	P	Polyproline II helix	trans	-50.5	145.2	164.5	-73.1	-73.4	168.2	0	0	111.1	R258	E256-R258 PolarHBondContact O-N 3.01Å
257	T	97.6	Very high	94.8	Very high	41 Å²	41	74.7 Å²	74.7	25%	0.252	42%	0.42	S	S	.	.	P	Polyproline II helix	trans	-69.3	131.4	173.4	-58.1	0	0	0	0	108.5	F232 A235 F265 K267	F232-T257 HydrophobicContact CE2-CG2 4.12Å; F232-T257 HydrophobicContact CZ-CG2 3.97Å; A235-T257 HydrophobicContact CB-CG2 4.32Å; A235-T257 WeakPolarHBondContact O-CG2 3.35Å; T257-F265 HydrophobicContact CG2-CB 3.82Å; T257-F265 HydrophobicContact CG2-CD1 3.95Å; T257-F265 HydrophobicContact CG2-CG 4.17Å; T257-K267 WeakPolarHBondContact OG1-CD 3.32Å; T257-K267 PolarHBondContact OG1-NZ 3.43Å; T257-K267 VanDerWaalsContact OG1-NZ 3.12Å
258	R	97.2	Very high	95	Very high	94 Å²	94	71 Å²	71	36%	0.355	40%	0.399	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-127.9	144.9	-174.4	68.6	-168.2	-178.1	-165.2	1.5	111.7	E256 F265 Q266	E256-R258 PolarHBondContact O-N 3.01Å; R258-F265 WeakPolarHBondContact O-CA 3.28Å; R258-Q266 HydrophobicContact CG-CG 3.58Å; R258-Q266 PolarHBondContact N-O 3.29Å; R258-Q266 WeakPolarHBondContact O-CG 3.49Å; R258-Q266 PolarHBondContact O-N 2.64Å
259	P	97	Very high	95.2	Very high	94 Å²	94	69.9 Å²	69.9	61%	0.61	39%	0.394	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-68.8	145.2	178	28.7	-34.6	0	0	0	111.1	F265	P259-F265 HydrophobicContact CB-CE1 4.27Å
260	A	96.5	Very high	95.6	Very high	50 Å²	50	64.8 Å²	64.8	41%	0.413	36%	0.363	S	S	.	.			trans	-88.4	-17	172.9	0	0	0	0	0	112.9	T264	A260-T264 PolarHBondContact N-O 3.22Å
261	G	93.2	Very high	96	Very high	78 Å²	78	55.8 Å²	55.8	80%	0.804	32%	0.321	S	S	*	.	S	Bend	trans	96.4	-7.1	179.1	0	0	0	0	0	115
262	D	92.8	Very high	96.5	Very high	111 Å²	111	53.8 Å²	53.8	59%	0.594	31%	0.313	S	S	*	.	S	Bend	trans	-105.9	14	176.6	61.6	-0.2	0	0	0	113	T264	D262-T264 WeakPolarHBondContact OD1-CB 3.44Å; D262-T264 PolarHBondContact OD1-N 2.96Å; D262-T264 PolarHBondContact OD1-OG1 3.16Å
263	G	91.7	Very high	96.5	Very high	40 Å²	40	52.8 Å²	52.8	41%	0.412	31%	0.306	S	S	.	.	S	Bend	trans	84.9	5	-174.1	0	0	0	0	0	114.4	Y233	Y233-G263 WeakPolarHBondContact CD2-O 3.45Å
264	T	96.8	Very high	96.5	Very high	15 Å²	15	49.6 Å²	49.6	9%	0.092	30%	0.296	C	S	.	.			trans	-108.7	172.4	172	73.7	0	0	0	0	112.3	F232 A260 D262	F232-T264 WeakPolarHBondContact O-CA 3.37Å; A260-T264 PolarHBondContact N-O 3.22Å; D262-T264 WeakPolarHBondContact OD1-CB 3.44Å; D262-T264 PolarHBondContact OD1-N 2.96Å; D262-T264 PolarHBondContact OD1-OG1 3.16Å
265	F	98.1	Very high	96.2	Very high	25 Å²	25	48 Å²	48	11%	0.11	29%	0.291	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-120.9	162.6	-177.4	-63.6	-86.2	0	0	0	112.4	D54 G231 F232 Y233 A235 T257 R258 P259	D54-F265 HydrophobicContact CB-CE2 3.8Å; D54-F265 HydrophobicContact CB-CZ 3.66Å; G231-F265 PolarHBondContact N-O 3.42Å; F232-F265 WeakPolarHBondContact CD1-O 3.26Å; F232-F265 HydrophobicContact CD2-CB 3.92Å; F232-F265 HydrophobicContact CE1-CB 4.31Å; F232-F265 WeakPolarHBondContact CE1-O 3.49Å; F232-F265 HydrophobicContact CE2-CB 3.47Å; F232-F265 VanDerWaalsContact CE2-CB 3.47Å; F232-F265 HydrophobicContact CE2-CG 4.49Å; F232-F265 HydrophobicContact CG-CB 4.49Å; F232-F265 HydrophobicContact CZ-CB 3.67Å; F232-F265 PolarHBondContact N-O 2.79Å; F232-F265 PolarHBondContact O-N 3.19Å; Y233-F265 HydrophobicContact CD2-CD2 4.44Å; Y233-F265 AromaticContact CD2-CE2 3.98Å; Y233-F265 HydrophobicContact CD2-CE2 3.98Å; Y233-F265 HydrophobicContact CE2-CE2 4.46Å; A235-F265 HydrophobicContact CB-CD1 3.65Å; A235-F265 HydrophobicContact CB-CD2 3.66Å; A235-F265 HydrophobicContact CB-CE1 3.62Å; A235-F265 HydrophobicContact CB-CE2 3.64Å; A235-F265 HydrophobicContact CB-CG 3.68Å; A235-F265 HydrophobicContact CB-CZ 3.66Å; T257-F265 HydrophobicContact CG2-CB 3.82Å; T257-F265 HydrophobicContact CG2-CD1 3.95Å; T257-F265 HydrophobicContact CG2-CG 4.17Å; R258-F265 WeakPolarHBondContact O-CA 3.28Å; P259-F265 HydrophobicContact CB-CE1 4.27Å
266	Q	98.1	Very high	95.9	Very high	45 Å²	45	49.6 Å²	49.6	21%	0.21	32%	0.315	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-141.2	145.9	174.5	44.2	167.5	-23.9	0	0	110.2	A229 L230 R258	A229-Q266 VanDerWaalsContact O-CA 3.31Å; A229-Q266 WeakPolarHBondContact O-CA 3.48Å; L230-Q266 HydrophobicContact CD2-CB 3.52Å; R258-Q266 HydrophobicContact CG-CG 3.58Å; R258-Q266 PolarHBondContact N-O 3.29Å; R258-Q266 WeakPolarHBondContact O-CG 3.49Å; R258-Q266 PolarHBondContact O-N 2.64Å
267	K	98.4	Very high	95.8	Very high	21 Å²	21	44.4 Å²	44.4	9%	0.091	29%	0.29	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-150.4	154.4	176.6	-161.5	-177	-170.9	70.4	0	109	A229 F232 I237 L239 L254 V255 T257	A229-K267 PolarHBondContact N-O 2.84Å; A229-K267 PolarHBondContact O-N 3.12Å; A229-K267 VanDerWaalsContact O-O 3.07Å; F232-K267 HydrophobicContact CE1-CB 4.39Å; F232-K267 HydrophobicContact CZ-CB 4.1Å; I237-K267 HydrophobicContact CG2-CB 4.24Å; I237-K267 HydrophobicContact CG2-CD 3.59Å; L239-K267 HydrophobicContact CD1-CD 4.29Å; L239-K267 HydrophobicContact CD2-CB 4.36Å; L239-K267 HydrophobicContact CD2-CG 4.41Å; L254-K267 HydrophobicContact CD1-CD 4.47Å; V255-K267 HydrophobicContact CG2-CG 4.41Å; V255-K267 VanDerWaalsContact O-CE 3.26Å; V255-K267 WeakPolarHBondContact O-CE 3.49Å; V255-K267 WeakPolarHBondContact O-CG 3.19Å; V255-K267 PolarHBondContact O-NZ 3.49Å; T257-K267 WeakPolarHBondContact OG1-CD 3.32Å; T257-K267 PolarHBondContact OG1-NZ 3.43Å; T257-K267 VanDerWaalsContact OG1-NZ 3.12Å
268	W	98.1	Very high	95.5	Very high	23 Å²	23	43.2 Å²	43.2	9%	0.087	28%	0.282	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-143.8	156.9	169.3	58.9	-98	0	0	0	111.3	R226 C227 W228 E253 V255 A270	R226-W268 HydrophobicContact CG-CB 4.07Å; R226-W268 HydrophobicContact CG-CD2 4.16Å; R226-W268 HydrophobicContact CG-CE3 3.88Å; R226-W268 HydrophobicContact CG-CG 4.29Å; C227-W268 CarbonylContact O-C 3.56Å; C227-W268 WeakPolarHBondContact O-CA 3.43Å; C227-W268 VanDerWaalsContact O-CB 3.22Å; C227-W268 WeakPolarHBondContact O-CB 3.24Å; W228-W268 HydrophobicContact CD2-CB 3.91Å; W228-W268 HydrophobicContact CD2-CG 4.39Å; W228-W268 HydrophobicContact CE3-CB 3.88Å; W228-W268 AromaticContact CE3-CD1 3.85Å; W228-W268 HydrophobicContact CE3-CG 4.17Å; W228-W268 HydrophobicContact CG-CB 4.31Å; W228-W268 AromaticContact CH2-CD1 3.59Å; W228-W268 HydrophobicContact CH2-CG 4.23Å; W228-W268 HydrophobicContact CZ2-CG 4.44Å; W228-W268 HydrophobicContact CZ3-CB 4.32Å; W228-W268 AromaticContact CZ3-CD1 3.4Å; W228-W268 VanDerWaalsContact CZ3-CD1 3.4Å; W228-W268 HydrophobicContact CZ3-CG 4.1Å; E253-W268 HydrophobicContact CB-CZ3 4.26Å; E253-W268 HydrophobicContact CG-CH2 3.9Å; E253-W268 HydrophobicContact CG-CZ3 3.82Å; E253-W268 WeakPolarHBondContact OE1-CH2 3.45Å; E253-W268 WeakPolarHBondContact OE2-CH2 3.29Å; V255-W268 HydrophobicContact CB-CZ2 4.39Å; V255-W268 HydrophobicContact CG1-CD2 3.98Å; V255-W268 HydrophobicContact CG1-CE3 4.29Å; V255-W268 HydrophobicContact CG1-CH2 3.57Å; V255-W268 HydrophobicContact CG1-CZ2 3.17Å; V255-W268 HydrophobicContact CG1-CZ3 4.09Å; V255-W268 HydrophobicContact CG2-CD2 3.76Å; V255-W268 HydrophobicContact CG2-CE3 4.49Å; V255-W268 HydrophobicContact CG2-CG 3.75Å; V255-W268 HydrophobicContact CG2-CZ2 4.39Å; V255-W268 WeakPolarHBondContact CG2-O 3.4Å; V255-W268 PolarHBondContact N-O 2.86Å; W268-A270 HydrophobicContact CE3-CB 3.98Å; W268-A270 HydrophobicContact CZ3-CB 3.68Å
269	A	97.9	Very high	95.3	Very high	0 Å²	0	43.1 Å²	43.1	0%	0	29%	0.286	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-130.4	132.1	174.2	0	0	0	0	0	108.6	C227 L239 W241 T252 E253 L254	C227-A269 PolarHBondContact N-O 3.23Å; C227-A269 PolarHBondContact O-N 2.94Å; L239-A269 HydrophobicContact CB-CB 4.07Å; L239-A269 HydrophobicContact CD2-CB 4.28Å; W241-A269 VanDerWaalsContact NE1-C 3.34Å; W241-A269 PolarHBondContact NE1-O 2.75Å; T252-A269 HydrophobicContact CG2-CB 3.97Å; E253-A269 CarbonylContact O-C 3.57Å; E253-A269 WeakPolarHBondContact O-CA 3.17Å; L254-A269 HydrophobicContact CD1-CB 3.65Å
270	A	97.4	Very high	95.2	Very high	2 Å²	2	43.4 Å²	43.4	2%	0.017	28%	0.275	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-124.1	147.2	179.6	0	0	0	0	0	111.9	T224 L225 R226 T252 E253 W268	T224-A270 HydrophobicContact CG2-CB 3.86Å; L225-A270 CarbonylContact O-C 3.53Å; L225-A270 WeakPolarHBondContact O-CA 3.43Å; R226-A270 HydrophobicContact CB-CB 4.04Å; R226-A270 HydrophobicContact CG-CB 4.09Å; T252-A270 CarbonylContact C-O 3.59Å; T252-A270 WeakPolarHBondContact CA-O 3.42Å; E253-A270 HydrophobicContact CB-CB 4.38Å; E253-A270 PolarHBondContact N-O 3.24Å; E253-A270 PolarHBondContact O-N 3.49Å; W268-A270 HydrophobicContact CE3-CB 3.98Å; W268-A270 HydrophobicContact CZ3-CB 3.68Å
271	V	97.4	Very high	95.2	Very high	2 Å²	2	41.3 Å²	41.3	1%	0.012	26%	0.256	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-136.6	142.9	175.2	64.1	0	0	0	0	108.9	T224 L225 W241 V273 Y281	T224-V271 WeakPolarHBondContact CA-O 3.42Å; L225-V271 HydrophobicContact CB-CG1 4.33Å; L225-V271 PolarHBondContact N-O 3.16Å; L225-V271 PolarHBondContact O-N 2.69Å; W241-V271 HydrophobicContact CD2-CB 4.43Å; W241-V271 HydrophobicContact CD2-CG1 3.65Å; W241-V271 HydrophobicContact CE3-CG1 3.95Å; W241-V271 HydrophobicContact CG-CB 4.25Å; W241-V271 HydrophobicContact CG-CG1 3.96Å; W241-V271 HydrophobicContact CH2-CG1 4.29Å; W241-V271 HydrophobicContact CZ2-CG1 4.1Å; W241-V271 HydrophobicContact CZ3-CG1 4.28Å; V271-V273 HydrophobicContact CG1-CG1 3.74Å; V271-V273 HydrophobicContact CG2-CG1 4.48Å; V271-Y281 HydrophobicContact CG1-CD1 4Å; V271-Y281 HydrophobicContact CG1-CE1 4.4Å; V271-Y281 HydrophobicContact CG2-CD1 4.42Å; V271-Y281 HydrophobicContact CG2-CE1 4.07Å
272	V	97.1	Very high	95.4	Very high	70 Å²	70	38 Å²	38	42%	0.424	22%	0.221	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-85.2	127.6	171	-179.1	0	0	0	0	108	I218 E222	I218-V272 HydrophobicContact CD1-CG1 3.95Å; I218-V272 HydrophobicContact CD1-CG2 4.06Å; E222-V272 HydrophobicContact CB-CG1 4.08Å; E222-V272 HydrophobicContact CG-CG1 4.31Å
273	V	95.9	Very high	95.6	Very high	1 Å²	1	32.8 Å²	32.8	1%	0.006	19%	0.192	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-125.6	145.7	-176.4	-52.5	0	0	0	0	110.5	E222 A223 L225 V271 E278 Y281	E222-V273 WeakPolarHBondContact CA-O 3.3Å; A223-V273 HydrophobicContact CB-CG2 4.49Å; A223-V273 PolarHBondContact N-O 3.25Å; A223-V273 WeakPolarHBondContact O-CG2 3.24Å; A223-V273 PolarHBondContact O-N 2.8Å; L225-V273 HydrophobicContact CD1-CG1 3.97Å; L225-V273 HydrophobicContact CD1-CG2 3.98Å; L225-V273 HydrophobicContact CG-CG1 4.23Å; L225-V273 HydrophobicContact CG-CG2 3.85Å; V271-V273 HydrophobicContact CG1-CG1 3.74Å; V271-V273 HydrophobicContact CG2-CG1 4.48Å; V273-E278 HydrophobicContact CG2-CG 3.89Å; V273-Y281 HydrophobicContact CB-CD2 4.02Å; V273-Y281 HydrophobicContact CB-CE2 3.71Å; V273-Y281 HydrophobicContact CG1-CD1 3.7Å; V273-Y281 HydrophobicContact CG1-CD2 3.6Å; V273-Y281 HydrophobicContact CG1-CE1 3.64Å; V273-Y281 HydrophobicContact CG1-CE2 3.57Å; V273-Y281 HydrophobicContact CG1-CG 3.66Å
274	P	95.6	Very high	95.8	Very high	44 Å²	44	32.5 Å²	32.5	29%	0.286	18%	0.18	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-63.1	139.7	170.1	-19.8	32.1	0	0	0	111.4	H221 G276 E277	H221-P274 CarbonylContact O-C 3.56Å; H221-P274 WeakPolarHBondContact O-CA 3.29Å; P274-G276 PolarHBondContact O-N 3.26Å; P274-E277 HydrophobicContact CB-CB 4.27Å; P274-E277 HydrophobicContact CB-CG 4.1Å; P274-E277 WeakPolarHBondContact O-CB 3.5Å; P274-E277 PolarHBondContact O-N 3.24Å
275	S	91.3	Very high	95.9	Very high	54 Å²	54	31.8 Å²	31.8	38%	0.378	18%	0.176	S	C	.	.	T	Hydrogen-bonded Turn	trans	-55.4	127	175.4	-64.2	0	0	0	0	110.9	D220 H221 E222 E277 E278	D220-S275 WeakPolarHBondContact O-CB 3.35Å; D220-S275 PolarHBondContact O-OG 2.85Å; H221-S275 PolarHBondContact O-N 3.29Å; H221-S275 PolarHBondContact O-OG 2.97Å; E222-S275 PolarHBondContact N-OG 3.25Å; S275-E277 VanDerWaalsContact C-N 3.35Å; S275-E278 WeakPolarHBondContact CA-OE1 3.33Å
276	G	89.4	Confident	95.8	Very high	67 Å²	67	33.5 Å²	33.5	69%	0.691	18%	0.184	S	C	*	.	T	Hydrogen-bonded Turn	trans	88.8	-6.1	-178.6	0	0	0	0	0	114.9	P274 E278	P274-G276 PolarHBondContact O-N 3.26Å; G276-E278 WeakPolarHBondContact CA-OE2 3.42Å; G276-E278 VanDerWaalsContact N-CD 3.3Å; G276-E278 PolarHBondContact N-OE1 3.08Å; G276-E278 PolarHBondContact N-OE2 3.37Å
277	E	93.8	Very high	95.7	Very high	55 Å²	55	31.9 Å²	31.9	26%	0.257	18%	0.177	S	C	.	.			trans	-100.1	3.9	175.6	-65.7	-159.7	-156.1	0	0	113.7	R243 P274 S275 Q279 R280 Y281	R243-E277 IonicContact CZ-OE2 2.83Å; R243-E277 IonicContact NE-OE2 3.67Å; R243-E277 IonicContact NH2-OE1 3.35Å; R243-E277 IonicContact NH2-OE2 3.89Å; R243-E277 PolarHBondContact NH2-OE2 3.14Å; P274-E277 HydrophobicContact CB-CB 4.27Å; P274-E277 HydrophobicContact CB-CG 4.1Å; P274-E277 WeakPolarHBondContact O-CB 3.5Å; P274-E277 PolarHBondContact O-N 3.24Å; S275-E277 VanDerWaalsContact C-N 3.35Å; E277-Q279 PolarHBondContact O-N 3.49Å; E277-R280 WeakPolarHBondContact O-CB 3.49Å; E277-R280 PolarHBondContact O-N 2.78Å; E277-R280 IonicContact OE1-NH1 3.73Å; E277-R280 IonicContact OE2-CZ 3.49Å; E277-R280 IonicContact OE2-NE 3.8Å; E277-R280 IonicContact OE2-NH1 2.69Å; E277-R280 PolarHBondContact OE2-NH1 2.82Å; E277-Y281 HydrophobicContact CB-CE2 4.4Å; E277-Y281 WeakPolarHBondContact O-CD2 3.2Å
278	E	93.1	Very high	95.4	Very high	17 Å²	17	34.2 Å²	34.2	8%	0.079	19%	0.188	C	C	.	.	G	3₁₀ helix	trans	-56.9	-32.5	-171.9	-58.1	81.7	-177.2	0	0	112.7	H215 L225 V273 S275 G276 R280 Y281 W298	H215-E278 IonicContact NE2-OE1 2.83Å; L225-E278 HydrophobicContact CD1-CB 4.02Å; L225-E278 HydrophobicContact CD1-CG 4.38Å; L225-E278 HydrophobicContact CD2-CG 4.35Å; V273-E278 HydrophobicContact CG2-CG 3.89Å; S275-E278 WeakPolarHBondContact CA-OE1 3.33Å; G276-E278 WeakPolarHBondContact CA-OE2 3.42Å; G276-E278 VanDerWaalsContact N-CD 3.3Å; G276-E278 PolarHBondContact N-OE1 3.08Å; G276-E278 PolarHBondContact N-OE2 3.37Å; E278-R280 PolarHBondContact O-N 2.97Å; E278-Y281 PolarHBondContact O-N 2.97Å; E278-W298 HydrophobicContact CB-CD2 4.23Å; E278-W298 HydrophobicContact CB-CE3 3.33Å; E278-W298 HydrophobicContact CB-CZ3 3.77Å; E278-W298 HydrophobicContact CG-CD2 4.47Å; E278-W298 HydrophobicContact CG-CE3 3.65Å; E278-W298 HydrophobicContact CG-CZ3 3.66Å
279	Q	92.3	Very high	95.1	Very high	92 Å²	92	33.8 Å²	33.8	43%	0.43	19%	0.191	S	C	.	.	G	3₁₀ helix	trans	-69.4	-18.9	179.5	-64	-57	-45.9	0	0	114.1	E277 W298	E277-Q279 PolarHBondContact O-N 3.49Å; Q279-W298 PolarHBondContact NE2-O 3.01Å
280	R	95.1	Very high	94.9	Very high	99 Å²	99	35 Å²	35	37%	0.374	20%	0.197	S	C	.	.	G	3₁₀ helix	trans	-76.4	-16.5	175.2	-62.8	174.3	66.8	-179.8	4.6	111.9	R243 D244 E277 E278	R243-R280 WeakPolarHBondContact CA-O 3.3Å; R243-R280 HydrophobicContact CG-CB 4.36Å; D244-R280 PolarHBondContact N-O 2.89Å; D244-R280 WeakPolarHBondContact OD1-CB 3.48Å; D244-R280 IonicContact OD1-NE 3.49Å; D244-R280 PolarHBondContact OD1-NE 3.46Å; D244-R280 IonicContact OD2-CZ 3.09Å; D244-R280 IonicContact OD2-NE 2.77Å; D244-R280 PolarHBondContact OD2-NE 2.95Å; D244-R280 IonicContact OD2-NH2 2.63Å; D244-R280 PolarHBondContact OD2-NH2 2.93Å; E277-R280 WeakPolarHBondContact O-CB 3.49Å; E277-R280 PolarHBondContact O-N 2.78Å; E277-R280 IonicContact OE1-NH1 3.73Å; E277-R280 IonicContact OE2-CZ 3.49Å; E277-R280 IonicContact OE2-NE 3.8Å; E277-R280 IonicContact OE2-NH1 2.69Å; E277-R280 PolarHBondContact OE2-NH1 2.82Å; E278-R280 PolarHBondContact O-N 2.97Å
281	Y	95.9	Very high	94.7	Very high	7 Å²	7	41.2 Å²	41.2	3%	0.027	24%	0.238	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-97.4	130.7	-177.1	-68.3	-100.7	0	0	0	111.3	Q242 R243 Q248 V271 V273 E277 E278	Q242-Y281 CarbonylContact O-C 3.54Å; Q242-Y281 VanDerWaalsContact O-CA 3.26Å; Q242-Y281 WeakPolarHBondContact O-CA 3.48Å; R243-Y281 HydrophobicContact CB-CD1 4.11Å; R243-Y281 HydrophobicContact CB-CE1 3.92Å; R243-Y281 WeakPolarHBondContact CD-OH 3.36Å; R243-Y281 HydrophobicContact CG-CD1 4.45Å; R243-Y281 HydrophobicContact CG-CD2 4.47Å; R243-Y281 HydrophobicContact CG-CE1 4.09Å; R243-Y281 HydrophobicContact CG-CE2 4.08Å; Q248-Y281 HydrophobicContact CG-CE1 4.39Å; V271-Y281 HydrophobicContact CG1-CD1 4Å; V271-Y281 HydrophobicContact CG1-CE1 4.4Å; V271-Y281 HydrophobicContact CG2-CD1 4.42Å; V271-Y281 HydrophobicContact CG2-CE1 4.07Å; V273-Y281 HydrophobicContact CB-CD2 4.02Å; V273-Y281 HydrophobicContact CB-CE2 3.71Å; V273-Y281 HydrophobicContact CG1-CD1 3.7Å; V273-Y281 HydrophobicContact CG1-CD2 3.6Å; V273-Y281 HydrophobicContact CG1-CE1 3.64Å; V273-Y281 HydrophobicContact CG1-CE2 3.57Å; V273-Y281 HydrophobicContact CG1-CG 3.66Å; E277-Y281 HydrophobicContact CB-CE2 4.4Å; E277-Y281 WeakPolarHBondContact O-CD2 3.2Å; E278-Y281 PolarHBondContact O-N 2.97Å
282	T	96.9	Very high	94.5	Very high	9 Å²	9	49 Å²	49	6%	0.055	27%	0.271	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-124	133.6	175.7	45.7	0	0	0	0	110.7	W241 Q242 H284 T295 L296 R297	W241-T282 WeakPolarHBondContact CA-O 3.41Å; W241-T282 VanDerWaalsContact CE3-C 3.43Å; W241-T282 VanDerWaalsContact CE3-O 3.29Å; Q242-T282 PolarHBondContact N-O 3.43Å; Q242-T282 PolarHBondContact O-N 3.19Å; T282-H284 PolarHBondContact OG1-NE2 2.61Å; T282-T295 HydrophobicContact CG2-CG2 3.91Å; T282-L296 CarbonylContact C-O 3.58Å; T282-L296 WeakPolarHBondContact CA-O 3.16Å; T282-R297 HydrophobicContact CG2-CG 3.49Å; T282-R297 VanDerWaalsContact CG2-CG 3.49Å
283	C	97.3	Very high	94.3	Very high	0 Å²	0	49.2 Å²	49.2	0%	0	27%	0.274	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-94.1	127.9	168.7	173.5	0	0	0	0	109.6	C227 T240 W241 T295 L296	C227-C283 HydrophobicContact CB-CB 3.5Å; C227-C283 WeakPolarHBondContact CB-SG 3.48Å; C227-C283 WeakPolarHBondContact SG-CB 3.33Å; C227-C283 CovalentContact SG-SG 2.03Å; C227-C283 PolarHBondContact SG-SG 2.83Å; T240-C283 CarbonylContact O-C 3.55Å; T240-C283 WeakPolarHBondContact O-CA 3.45Å; W241-C283 HydrophobicContact CD2-CB 4.2Å; W241-C283 HydrophobicContact CE3-CB 4.14Å; W241-C283 HydrophobicContact CH2-CB 4.16Å; W241-C283 HydrophobicContact CZ2-CB 4.15Å; W241-C283 HydrophobicContact CZ3-CB 4.11Å; C283-T295 CarbonylContact O-C 3.57Å; C283-T295 WeakPolarHBondContact O-CA 3.23Å; C283-L296 HydrophobicContact CB-CB 4.24Å; C283-L296 PolarHBondContact N-O 3.47Å; C283-L296 PolarHBondContact O-N 3.47Å
284	H	96.9	Very high	94.3	Very high	35 Å²	35	52 Å²	52	16%	0.162	29%	0.288	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-106.5	131	176.3	-63.1	-101.4	0	0	0	109.7	L239 T240 Q242 T282 L294 T295	L239-H284 WeakPolarHBondContact CA-O 3.34Å; T240-H284 PolarHBondContact N-O 2.86Å; T240-H284 PolarHBondContact O-N 2.89Å; Q242-H284 PolarHBondContact OE1-NE2 2.96Å; Q242-H284 VanDerWaalsContact OE1-NE2 3.17Å; T282-H284 PolarHBondContact OG1-NE2 2.61Å; H284-L294 WeakPolarHBondContact CA-O 3.42Å; H284-T295 PolarHBondContact CE1-OG1 3.2Å; H284-T295 PolarHBondContact ND1-OG1 2.97Å
285	V	97.4	Very high	94.3	Very high	0 Å²	0	53.7 Å²	53.7	0%	0	30%	0.298	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-123.4	121.9	-179.1	-174.6	0	0	0	0	109	P209 T211 I237 T238 L239 L290 P293 L294 L296	P209-V285 HydrophobicContact CG-CG1 3.93Å; T211-V285 HydrophobicContact CG2-CB 4.42Å; T211-V285 HydrophobicContact CG2-CG1 4.2Å; T211-V285 HydrophobicContact CG2-CG2 4.04Å; I237-V285 HydrophobicContact CD1-CG1 4.03Å; I237-V285 HydrophobicContact CG1-CG1 4.38Å; T238-V285 WeakPolarHBondContact O-CA 3.46Å; L239-V285 HydrophobicContact CD1-CG1 4.06Å; L239-V285 HydrophobicContact CG-CG2 4.31Å; V285-L290 HydrophobicContact CG1-CD1 4.22Å; V285-P293 WeakPolarHBondContact O-CA 3.25Å; V285-L294 HydrophobicContact CB-CB 4.32Å; V285-L294 PolarHBondContact N-O 2.74Å; V285-L294 PolarHBondContact O-N 3.31Å; V285-L296 HydrophobicContact CG2-CD1 3.86Å
286	Q	97	Very high	94.5	Very high	60 Å²	60	52.8 Å²	52.8	28%	0.28	29%	0.289	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-118.1	130.5	174	-51.8	-178.6	14.9	0	0	109.2	I237 T238 P293	I237-Q286 VanDerWaalsContact CG1-O 3.28Å; I237-Q286 WeakPolarHBondContact CG1-O 3.2Å; T238-Q286 PolarHBondContact N-O 3.22Å; T238-Q286 PolarHBondContact O-N 2.72Å; Q286-P293 HydrophobicContact CG-CB 4.07Å; Q286-P293 HydrophobicContact CG-CG 4.16Å
287	H	95.4	Very high	94.6	Very high	11 Å²	11	57 Å²	57	5%	0.051	28%	0.284	C	S	.	.			trans	-156.5	147.4	-179.2	-174.2	-98.4	0	0	0	108.7	D207 P209 F232 Y233 P234 E236 I237 G289 L290	D207-H287 PolarHBondContact O-CE1 2.98Å; D207-H287 VanDerWaalsContact O-CE1 3.3Å; P209-H287 HydrophobicContact CG-CB 4.05Å; F232-H287 AromaticContact CD2-CD2 3.85Å; F232-H287 AromaticContact CD2-NE2 3.7Å; Y233-H287 PolarHBondContact O-CE1 3.26Å; P234-H287 PolarHBondContact O-NE2 2.84Å; E236-H287 PolarHBondContact O-CD2 2.97Å; I237-H287 HydrophobicContact CD1-CB 4.34Å; I237-H287 HydrophobicContact CG1-CB 4.09Å; H287-G289 VanDerWaalsContact C-N 3.25Å; H287-G289 PolarHBondContact ND1-N 3.5Å; H287-G289 PolarHBondContact O-N 2.88Å; H287-L290 HydrophobicContact CB-CD1 3.98Å; H287-L290 HydrophobicContact CB-CG 4.16Å; H287-L290 WeakPolarHBondContact O-CB 3.41Å; H287-L290 PolarHBondContact O-N 3.01Å
288	E	91.9	Very high	94.4	Very high	70 Å²	70	56.2 Å²	56.2	33%	0.327	28%	0.279	S	S	.	.	T	Hydrogen-bonded Turn	trans	-59.9	-34.7	-178.9	-172.6	-176.8	177.4	0	0	112.8	W23 T206 L290	W23-E288 HydrophobicContact CE3-CB 4.36Å; T206-E288 HydrophobicContact CG2-CG 4.1Å; E288-L290 PolarHBondContact O-N 3.35Å
289	G	92.2	Very high	93.7	Very high	15 Å²	15	63.3 Å²	63.3	16%	0.155	31%	0.312	C	S	.	.	T	Hydrogen-bonded Turn	trans	-70.8	-8.7	177.7	0	0	0	0	0	114.2	H287	H287-G289 VanDerWaalsContact C-N 3.25Å; H287-G289 PolarHBondContact ND1-N 3.5Å; H287-G289 PolarHBondContact O-N 2.88Å
290	L	94.2	Very high	92.3	Very high	25 Å²	25	64.5 Å²	64.5	13%	0.131	32%	0.321	C	S	.	.			trans	-94.4	125.6	177.8	-66.3	171.2	0	0	0	110.7	P208 P209 V285 H287 E288 K292 L294	P208-L290 HydrophobicContact CB-CD2 3.89Å; P208-L290 HydrophobicContact CB-CG 4.47Å; P209-L290 HydrophobicContact CG-CD1 3.87Å; P209-L290 HydrophobicContact CG-CD2 4.43Å; P209-L290 HydrophobicContact CG-CG 4.2Å; V285-L290 HydrophobicContact CG1-CD1 4.22Å; H287-L290 HydrophobicContact CB-CD1 3.98Å; H287-L290 HydrophobicContact CB-CG 4.16Å; H287-L290 WeakPolarHBondContact O-CB 3.41Å; H287-L290 PolarHBondContact O-N 3.01Å; E288-L290 PolarHBondContact O-N 3.35Å; L290-K292 WeakPolarHBondContact CB-O 3.24Å; L290-K292 PolarHBondContact O-N 2.89Å; L290-L294 HydrophobicContact CD1-CD1 3.94Å; L290-L294 HydrophobicContact CD1-CG 3.85Å; L290-L294 HydrophobicContact CD2-CD1 3.67Å; L290-L294 HydrophobicContact CD2-CG 3.93Å; L290-L294 HydrophobicContact CG-CD1 4.48Å; L290-L294 HydrophobicContact CG-CG 4.49Å
291	P	92.3	Very high	90.2	Very high	133 Å²	133	64.8 Å²	64.8	86%	0.864	34%	0.337	S	S	*	.	S	Bend	trans	-65.1	-24.2	177.7	27.1	-34.9	0	0	0	112.5
292	K	92.7	Very high	87.6	Confident	165 Å²	165	69.3 Å²	69.3	72%	0.717	37%	0.37	S	S	*	.	S	Bend	trans	-147.3	149	173.2	-63.7	-176.2	-177.5	176.9	0	109	L290 L294	L290-K292 WeakPolarHBondContact CB-O 3.24Å; L290-K292 PolarHBondContact O-N 2.89Å; K292-L294 PolarHBondContact O-N 2.84Å
293	P	94.6	Very high	84.8	Confident	74 Å²	74	76.6 Å²	76.6	48%	0.481	40%	0.404	S	S	.	.			trans	-50.8	138	171.3	-28.7	36.7	0	0	0	112.2	V285 Q286	V285-P293 WeakPolarHBondContact O-CA 3.25Å; Q286-P293 HydrophobicContact CG-CB 4.07Å; Q286-P293 HydrophobicContact CG-CG 4.16Å
294	L	94.9	Very high	82	Confident	59 Å²	59	81.7 Å²	81.7	31%	0.309	44%	0.437	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-88.2	145.1	174.2	-64.2	177.1	0	0	0	110	T211 H284 V285 L290 K292	T211-L294 HydrophobicContact CG2-CD1 4.19Å; H284-L294 WeakPolarHBondContact CA-O 3.42Å; V285-L294 HydrophobicContact CB-CB 4.32Å; V285-L294 PolarHBondContact N-O 2.74Å; V285-L294 PolarHBondContact O-N 3.31Å; L290-L294 HydrophobicContact CD1-CD1 3.94Å; L290-L294 HydrophobicContact CD1-CG 3.85Å; L290-L294 HydrophobicContact CD2-CD1 3.67Å; L290-L294 HydrophobicContact CD2-CG 3.93Å; L290-L294 HydrophobicContact CG-CD1 4.48Å; L290-L294 HydrophobicContact CG-CG 4.49Å; K292-L294 PolarHBondContact O-N 2.84Å
295	T	95.9	Very high	79.7	Confident	81 Å²	81	86.4 Å²	86.4	50%	0.497	47%	0.468	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-125.4	116.8	170.8	-57.1	0	0	0	0	107.9	T282 C283 H284	T282-T295 HydrophobicContact CG2-CG2 3.91Å; C283-T295 CarbonylContact O-C 3.57Å; C283-T295 WeakPolarHBondContact O-CA 3.23Å; H284-T295 PolarHBondContact CE1-OG1 3.2Å; H284-T295 PolarHBondContact ND1-OG1 2.97Å
296	L	94.1	Very high	77.6	Confident	34 Å²	34	91.3 Å²	91.3	18%	0.178	49%	0.494	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-107.5	137.9	-176.8	-62.3	147.6	0	0	0	108.8	T211 M213 T282 C283 V285	T211-L296 HydrophobicContact CG2-CD1 4.06Å; M213-L296 HydrophobicContact CG-CB 4.26Å; M213-L296 HydrophobicContact SD-CB 3.72Å; T282-L296 CarbonylContact C-O 3.58Å; T282-L296 WeakPolarHBondContact CA-O 3.16Å; C283-L296 HydrophobicContact CB-CB 4.24Å; C283-L296 PolarHBondContact N-O 3.47Å; C283-L296 PolarHBondContact O-N 3.47Å; V285-L296 HydrophobicContact CG2-CD1 3.86Å
297	R	92.4	Very high	75.7	Confident	155 Å²	155	92.7 Å²	92.7	59%	0.585	51%	0.508	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-119.1	152.1	167.5	-73.1	-176	177.2	162.7	-0.8	108.5	M213 T282 E299	M213-R297 VanDerWaalsContact SD-O 3.38Å; T282-R297 HydrophobicContact CG2-CG 3.49Å; T282-R297 VanDerWaalsContact CG2-CG 3.49Å; R297-E299 PolarHBondContact O-N 2.63Å; R297-E299 VanDerWaalsContact O-N 3.09Å
298	W	88.8	Confident	74	Confident	40 Å²	40	97.5 Å²	97.5	15%	0.152	53%	0.533	C	S	.	.			trans	-66.6	113.3	172.8	179.2	56	0	0	0	108.6	M213 H215 L225 E278 Q279 L300	M213-W298 HydrophobicContact CE-CB 3.67Å; M213-W298 PolarHBondContact SD-N 2.99Å; M213-W298 VanDerWaalsContact SD-N 3.41Å; H215-W298 HydrophobicContact CB-CD2 4.49Å; H215-W298 HydrophobicContact CB-CZ2 4Å; H215-W298 VanDerWaalsContact CB-NE1 3.34Å; H215-W298 AromaticContact CD2-CZ2 3.96Å; H215-W298 AromaticContact CG-CE2 3.81Å; H215-W298 AromaticContact CG-CZ2 3.69Å; H215-W298 AromaticContact ND1-CZ2 3.85Å; L225-W298 HydrophobicContact CD1-CB 4.42Å; L225-W298 HydrophobicContact CD2-CB 3.96Å; L225-W298 HydrophobicContact CD2-CD2 4.3Å; L225-W298 HydrophobicContact CD2-CG 3.87Å; E278-W298 HydrophobicContact CB-CD2 4.23Å; E278-W298 HydrophobicContact CB-CE3 3.33Å; E278-W298 HydrophobicContact CB-CZ3 3.77Å; E278-W298 HydrophobicContact CG-CD2 4.47Å; E278-W298 HydrophobicContact CG-CE3 3.65Å; E278-W298 HydrophobicContact CG-CZ3 3.66Å; Q279-W298 PolarHBondContact NE2-O 3.01Å; W298-L300 HydrophobicContact CE3-CD1 3.8Å; W298-L300 HydrophobicContact CE3-CG 4.49Å; W298-L300 HydrophobicContact CH2-CD1 3.62Å; W298-L300 HydrophobicContact CH2-CD2 4.5Å; W298-L300 HydrophobicContact CH2-CG 3.62Å; W298-L300 HydrophobicContact CZ2-CD1 4.41Å; W298-L300 HydrophobicContact CZ2-CG 4.12Å; W298-L300 HydrophobicContact CZ3-CD1 3.25Å; W298-L300 HydrophobicContact CZ3-CG 3.83Å
299	E	79.6	Confident	72.6	Confident	166 Å²	166	100 Å²	100	78%	0.776	55%	0.552	S	S	*	*			trans	-83.3	122.4	167.5	-68.8	-178.3	172.9	0	0	107.5	R297 S301	R297-E299 PolarHBondContact O-N 2.63Å; R297-E299 VanDerWaalsContact O-N 3.09Å; E299-S301 VanDerWaalsContact C-N 3.35Å; E299-S301 PolarHBondContact O-N 3.36Å
300	L	62.6	Low	71.4	Confident	117 Å²	117	101.4 Å²	101.4	61%	0.613	57%	0.567	S	S	*	*			trans	-56.9	110	160.5	-94.8	92	0	0	0	105.2	W298 S302	W298-L300 HydrophobicContact CE3-CD1 3.8Å; W298-L300 HydrophobicContact CE3-CG 4.49Å; W298-L300 HydrophobicContact CH2-CD1 3.62Å; W298-L300 HydrophobicContact CH2-CD2 4.5Å; W298-L300 HydrophobicContact CH2-CG 3.62Å; W298-L300 HydrophobicContact CZ2-CD1 4.41Å; W298-L300 HydrophobicContact CZ2-CG 4.12Å; W298-L300 HydrophobicContact CZ3-CD1 3.25Å; W298-L300 HydrophobicContact CZ3-CG 3.83Å; L300-S302 PolarHBondContact O-N 2.83Å
301	S	50.8	Low	70.4	Confident	104 Å²	104	104.6 Å²	104.6	73%	0.727	58%	0.583	S	S	*	*			trans	-55.9	98.4	167.5	-179.4	0	0	0	0	106.4	E299 Q303	E299-S301 VanDerWaalsContact C-N 3.35Å; E299-S301 PolarHBondContact O-N 3.36Å; S301-Q303 PolarHBondContact O-N 3.21Å
302	S	41	Very low	69.6	Low	103 Å²	103	103 Å²	103	72%	0.72	57%	0.566	S	S	*	*			trans	-66.3	83.2	159.7	55.8	0	0	0	0	104.4	L300 P304	L300-S302 PolarHBondContact O-N 2.83Å; S302-P304 WeakPolarHBondContact O-CD 3.44Å
303	Q	39	Very low	68.7	Low	161 Å²	161	97.4 Å²	97.4	75%	0.752	55%	0.551	S	S	*	*			trans	-49.1	117	147.7	-81.3	-171.9	-16	0	0	104.1	S301 T305	S301-Q303 PolarHBondContact O-N 3.21Å; Q303-T305 PolarHBondContact O-N 2.95Å
304	P	38.7	Very low	68	Low	107 Å²	107	95.4 Å²	95.4	70%	0.695	54%	0.544	S	S	*	.			trans	-61.6	106.8	168.4	22	-22	0	0	0	103.7	S302 I306	S302-P304 WeakPolarHBondContact O-CD 3.44Å; P304-I306 PolarHBondContact O-N 3.37Å
305	T	48.5	Very low	67.5	Low	134 Å²	134	98.1 Å²	98.1	82%	0.822	56%	0.558	S	S	*	*			trans	-61	83	155	12.3	0	0	0	0	103.9	Q303 P307	Q303-T305 PolarHBondContact O-N 2.95Å; T305-P307 WeakPolarHBondContact O-CD 3.4Å
306	I	53.4	Low	66.9	Low	104 Å²	104	98.9 Å²	98.9	53%	0.533	56%	0.563	S	S	.	*			trans	-46.2	120.9	160.2	-62.4	174.7	0	0	0	102.9	P304 I308 I311	P304-I306 PolarHBondContact O-N 3.37Å; I306-I308 WeakPolarHBondContact O-CG1 3.38Å; I306-I308 PolarHBondContact O-N 2.84Å; I306-I311 HydrophobicContact CG2-CD1 3.74Å
307	P	57	Low	66.3	Low	89 Å²	89	102.9 Å²	102.9	58%	0.578	58%	0.583	S	S	*	*			trans	-73.4	78.9	-175	29.5	-32.8	0	0	0	106.6	T305 V309 G310 I311	T305-P307 WeakPolarHBondContact O-CD 3.4Å; P307-V309 PolarHBondContact O-N 3.5Å; P307-V309 VanDerWaalsContact O-N 3.11Å; P307-G310 WeakPolarHBondContact O-CA 3.38Å; P307-G310 PolarHBondContact O-N 3.24Å; P307-I311 PolarHBondContact O-N 3.06Å; P307-I311 VanDerWaalsContact O-N 3.15Å
308	I	60.4	Low	65.8	Low	112 Å²	112	100.7 Å²	100.7	57%	0.574	58%	0.583	S	S	*	*	H	α-helix	trans	-53.9	-34.7	-179.9	-69.1	168.5	0	0	0	108.4	I306 I311 I312	I306-I308 WeakPolarHBondContact O-CG1 3.38Å; I306-I308 PolarHBondContact O-N 2.84Å; I308-I311 PolarHBondContact O-N 3.16Å; I308-I312 HydrophobicContact CG2-CD1 3.62Å; I308-I312 HydrophobicContact CG2-CG1 4.32Å; I308-I312 WeakPolarHBondContact O-CB 3.35Å; I308-I312 WeakPolarHBondContact O-CG1 3.43Å; I308-I312 PolarHBondContact O-N 3.36Å
309	V	61.6	Low	65.4	Low	122 Å²	122	100.6 Å²	100.6	74%	0.739	59%	0.594	S	S	*	*	H	α-helix	trans	-62.1	-41.9	174.5	-175.7	0	0	0	0	112.7	P307 A313	P307-V309 PolarHBondContact O-N 3.5Å; P307-V309 VanDerWaalsContact O-N 3.11Å; V309-A313 WeakPolarHBondContact O-CB 3.47Å; V309-A313 PolarHBondContact O-N 3.26Å
310	G	67.6	Low	65.5	Low	45 Å²	45	95.4 Å²	95.4	46%	0.464	58%	0.58	S	S	.	*	H	α-helix	trans	-69.8	-37.8	179.4	0	0	0	0	0	112.9	P307 G314	P307-G310 WeakPolarHBondContact O-CA 3.38Å; P307-G310 PolarHBondContact O-N 3.24Å; G310-G314 PolarHBondContact O-N 3.35Å
311	I	73.3	Confident	66.4	Low	92 Å²	92	94.8 Å²	94.8	47%	0.472	58%	0.58	S	S	.	*	H	α-helix	trans	-68.9	-43.4	176.4	-61.7	174.6	0	0	0	110.6	I306 P307 I308 G314 L315	I306-I311 HydrophobicContact CG2-CD1 3.74Å; P307-I311 PolarHBondContact O-N 3.06Å; P307-I311 VanDerWaalsContact O-N 3.15Å; I308-I311 PolarHBondContact O-N 3.16Å; I311-G314 PolarHBondContact O-N 3Å; I311-L315 HydrophobicContact CG2-CD1 3.98Å; I311-L315 HydrophobicContact CG2-CG 4.48Å; I311-L315 WeakPolarHBondContact O-CB 3.37Å; I311-L315 WeakPolarHBondContact O-CG 3.18Å; I311-L315 PolarHBondContact O-N 3.14Å
312	I	74	Confident	67.9	Low	98 Å²	98	94.6 Å²	94.6	50%	0.503	57%	0.57	S	S	.	*	H	α-helix	trans	-63.4	-46.6	176.8	-68.3	169.4	0	0	0	110.6	I308 G314 L315 V316	I308-I312 HydrophobicContact CG2-CD1 3.62Å; I308-I312 HydrophobicContact CG2-CG1 4.32Å; I308-I312 WeakPolarHBondContact O-CB 3.35Å; I308-I312 WeakPolarHBondContact O-CG1 3.43Å; I308-I312 PolarHBondContact O-N 3.36Å; I312-G314 VanDerWaalsContact C-N 3.32Å; I312-G314 PolarHBondContact O-N 3.45Å; I312-L315 PolarHBondContact O-N 3.46Å; I312-V316 HydrophobicContact CG2-CG2 4.34Å; I312-V316 VanDerWaalsContact O-CG2 3.28Å; I312-V316 WeakPolarHBondContact O-CG2 3.45Å; I312-V316 PolarHBondContact O-N 2.93Å
313	A	74.9	Confident	69.5	Low	49 Å²	49	93.9 Å²	93.9	41%	0.405	56%	0.562	S	S	.	*	H	α-helix	trans	-60.4	-42.1	177.2	0	0	0	0	0	112	V309 V316 L317	V309-A313 WeakPolarHBondContact O-CB 3.47Å; V309-A313 PolarHBondContact O-N 3.26Å; A313-V316 PolarHBondContact O-N 3.02Å; A313-L317 WeakPolarHBondContact O-CB 3.41Å; A313-L317 WeakPolarHBondContact O-CG 3.41Å; A313-L317 PolarHBondContact O-N 2.9Å
314	G	79.9	Confident	71.4	Confident	32 Å²	32	88.2 Å²	88.2	33%	0.33	55%	0.546	S	S	.	.	H	α-helix	trans	-62.4	-44.2	175.9	0	0	0	0	0	113.2	G310 I311 I312 L317 L318	G310-G314 PolarHBondContact O-N 3.35Å; I311-G314 PolarHBondContact O-N 3Å; I312-G314 VanDerWaalsContact C-N 3.32Å; I312-G314 PolarHBondContact O-N 3.45Å; G314-L317 PolarHBondContact O-N 3.18Å; G314-L318 WeakPolarHBondContact O-CB 3.33Å; G314-L318 PolarHBondContact O-N 3.07Å
315	L	84.7	Confident	73.2	Confident	115 Å²	115	86 Å²	86	60%	0.602	54%	0.536	S	S	*	.	H	α-helix	trans	-67.1	-39.1	178.3	-74.3	170.9	0	0	0	112.6	I311 I312 L318 G319	I311-L315 HydrophobicContact CG2-CD1 3.98Å; I311-L315 HydrophobicContact CG2-CG 4.48Å; I311-L315 WeakPolarHBondContact O-CB 3.37Å; I311-L315 WeakPolarHBondContact O-CG 3.18Å; I311-L315 PolarHBondContact O-N 3.14Å; I312-L315 PolarHBondContact O-N 3.46Å; L315-L318 PolarHBondContact O-N 3.16Å; L315-G319 PolarHBondContact O-N 3.4Å
316	V	82.9	Confident	74.7	Confident	98 Å²	98	83.6 Å²	83.6	59%	0.594	52%	0.522	S	S	*	.	H	α-helix	trans	-64.6	-43.4	176.3	171.4	0	0	0	0	110.9	I312 A313 G319 A320	I312-V316 HydrophobicContact CG2-CG2 4.34Å; I312-V316 VanDerWaalsContact O-CG2 3.28Å; I312-V316 WeakPolarHBondContact O-CG2 3.45Å; I312-V316 PolarHBondContact O-N 2.93Å; A313-V316 PolarHBondContact O-N 3.02Å; V316-G319 PolarHBondContact O-N 2.72Å; V316-A320 PolarHBondContact O-N 3.08Å
317	L	81.3	Confident	75.8	Confident	118 Å²	118	82.6 Å²	82.6	62%	0.618	52%	0.52	S	S	*	.	H	α-helix	trans	-63.1	-44.7	176.3	-77.1	167.7	0	0	0	112	A313 G314 G319 A320 V321	A313-L317 WeakPolarHBondContact O-CB 3.41Å; A313-L317 WeakPolarHBondContact O-CG 3.41Å; A313-L317 PolarHBondContact O-N 2.9Å; G314-L317 PolarHBondContact O-N 3.18Å; L317-G319 VanDerWaalsContact C-N 3.35Å; L317-G319 PolarHBondContact O-N 3.32Å; L317-A320 PolarHBondContact O-N 3.23Å; L317-V321 WeakPolarHBondContact O-CG2 3.35Å; L317-V321 PolarHBondContact O-N 2.95Å
318	L	82.1	Confident	76.7	Confident	109 Å²	109	81.2 Å²	81.2	57%	0.571	52%	0.516	S	S	*	.	H	α-helix	trans	-60	-44.4	175.2	-104.7	147.5	0	0	0	111.9	G314 L315 A320 V321 I322	G314-L318 WeakPolarHBondContact O-CB 3.33Å; G314-L318 PolarHBondContact O-N 3.07Å; L315-L318 PolarHBondContact O-N 3.16Å; L318-A320 VanDerWaalsContact C-N 3.35Å; L318-A320 PolarHBondContact O-N 3.39Å; L318-V321 PolarHBondContact O-N 3.46Å; L318-I322 HydrophobicContact CD2-CD1 4.37Å; L318-I322 VanDerWaalsContact O-CG1 3.29Å; L318-I322 WeakPolarHBondContact O-CG1 3.45Å; L318-I322 PolarHBondContact O-N 3.43Å
319	G	80.7	Confident	77.3	Confident	37 Å²	37	78.3 Å²	78.3	38%	0.381	51%	0.509	S	S	.	.	H	α-helix	trans	-59.3	-43.5	176	0	0	0	0	0	112.7	L315 V316 L317 I322 T323	L315-G319 PolarHBondContact O-N 3.4Å; V316-G319 PolarHBondContact O-N 2.72Å; L317-G319 VanDerWaalsContact C-N 3.35Å; L317-G319 PolarHBondContact O-N 3.32Å; G319-I322 PolarHBondContact O-N 3.31Å; G319-T323 PolarHBondContact O-N 3.49Å; G319-T323 PolarHBondContact O-OG1 3.13Å
320	A	80.8	Confident	77.9	Confident	58 Å²	58	76.4 Å²	76.4	48%	0.479	50%	0.497	S	S	.	.	H	α-helix	trans	-65.9	-40.1	178	0	0	0	0	0	112.8	V316 L317 L318 T323 G324	V316-A320 PolarHBondContact O-N 3.08Å; L317-A320 PolarHBondContact O-N 3.23Å; L318-A320 VanDerWaalsContact C-N 3.35Å; L318-A320 PolarHBondContact O-N 3.39Å; A320-T323 WeakPolarHBondContact CA-OG1 3.42Å; A320-T323 PolarHBondContact O-OG1 3.08Å; A320-G324 PolarHBondContact O-N 2.87Å
321	V	82.8	Confident	78.1	Confident	103 Å²	103	80.3 Å²	80.3	62%	0.624	51%	0.505	S	S	*	.	H	α-helix	trans	-65.6	-43.9	177	172.2	0	0	0	0	111	L317 L318 G324 A325	L317-V321 WeakPolarHBondContact O-CG2 3.35Å; L317-V321 PolarHBondContact O-N 2.95Å; L318-V321 PolarHBondContact O-N 3.46Å; V321-G324 PolarHBondContact O-N 2.82Å; V321-A325 WeakPolarHBondContact O-CB 3.48Å; V321-A325 PolarHBondContact O-N 2.69Å
322	I	80.7	Confident	78	Confident	101 Å²	101	85.7 Å²	85.7	52%	0.518	52%	0.52	S	S	.	.	H	α-helix	trans	-64.7	-45.9	179.4	-66.7	168	0	0	0	110.5	L318 G319 G324 A325 V326	L318-I322 HydrophobicContact CD2-CD1 4.37Å; L318-I322 VanDerWaalsContact O-CG1 3.29Å; L318-I322 WeakPolarHBondContact O-CG1 3.45Å; L318-I322 PolarHBondContact O-N 3.43Å; G319-I322 PolarHBondContact O-N 3.31Å; I322-G324 PolarHBondContact O-N 3.44Å; I322-A325 PolarHBondContact O-N 3.25Å; I322-V326 HydrophobicContact CG2-CG2 4.47Å; I322-V326 VanDerWaalsContact O-CG2 3.29Å; I322-V326 WeakPolarHBondContact O-CG2 3.42Å; I322-V326 PolarHBondContact O-N 2.82Å
323	T	76.1	Confident	77.6	Confident	88 Å²	88	90.8 Å²	90.8	54%	0.54	53%	0.533	S	S	.	.	H	α-helix	trans	-63.1	-42.3	176.6	31.3	0	0	0	0	111.9	G319 A320 A325 V326 V327	G319-T323 PolarHBondContact O-N 3.49Å; G319-T323 PolarHBondContact O-OG1 3.13Å; A320-T323 WeakPolarHBondContact CA-OG1 3.42Å; A320-T323 PolarHBondContact O-OG1 3.08Å; T323-A325 PolarHBondContact O-N 2.91Å; T323-V326 PolarHBondContact O-N 3.23Å; T323-V327 VanDerWaalsContact O-CG2 3.3Å; T323-V327 WeakPolarHBondContact O-CG2 3.35Å; T323-V327 PolarHBondContact O-N 3.16Å
324	G	77.4	Confident	76.9	Confident	41 Å²	41	98.7 Å²	98.7	42%	0.423	55%	0.552	S	S	.	*	H	α-helix	trans	-59.2	-45	174	0	0	0	0	0	113.1	A320 V321 I322 V327 A328	A320-G324 PolarHBondContact O-N 2.87Å; V321-G324 PolarHBondContact O-N 2.82Å; I322-G324 PolarHBondContact O-N 3.44Å; G324-V327 PolarHBondContact O-N 2.89Å; G324-A328 WeakPolarHBondContact O-CB 2.84Å; G324-A328 PolarHBondContact O-N 3.1Å
325	A	77.9	Confident	75.9	Confident	60 Å²	60	106.1 Å²	106.1	50%	0.496	58%	0.575	S	S	.	*	H	α-helix	trans	-64.6	-41	178.2	0	0	0	0	0	112.5	V321 I322 T323 A328 A329	V321-A325 WeakPolarHBondContact O-CB 3.48Å; V321-A325 PolarHBondContact O-N 2.69Å; I322-A325 PolarHBondContact O-N 3.25Å; T323-A325 PolarHBondContact O-N 2.91Å; A325-A328 PolarHBondContact O-N 3.45Å; A325-A329 WeakPolarHBondContact O-CB 3.47Å; A325-A329 PolarHBondContact O-N 2.92Å
326	V	79.4	Confident	74.4	Confident	84 Å²	84	104.9 Å²	104.9	51%	0.509	58%	0.576	S	S	.	*	H	α-helix	trans	-65.1	-45.1	176.6	172.2	0	0	0	0	110.9	I322 T323 A328 A329 V330	I322-V326 HydrophobicContact CG2-CG2 4.47Å; I322-V326 VanDerWaalsContact O-CG2 3.29Å; I322-V326 WeakPolarHBondContact O-CG2 3.42Å; I322-V326 PolarHBondContact O-N 2.82Å; T323-V326 PolarHBondContact O-N 3.23Å; V326-A328 PolarHBondContact O-N 3.46Å; V326-A329 PolarHBondContact O-N 2.7Å; V326-V330 HydrophobicContact CG1-CG2 4.35Å; V326-V330 WeakPolarHBondContact O-CB 3.35Å; V326-V330 VanDerWaalsContact O-CG2 3.28Å; V326-V330 WeakPolarHBondContact O-CG2 3.34Å; V326-V330 PolarHBondContact O-N 3.31Å
327	V	77.3	Confident	72.9	Confident	84 Å²	84	107.7 Å²	107.7	51%	0.509	60%	0.6	S	S	.	*	H	α-helix	trans	-62.1	-45	177.4	172.1	0	0	0	0	110.8	T323 G324 A329 V330 M331	T323-V327 VanDerWaalsContact O-CG2 3.3Å; T323-V327 WeakPolarHBondContact O-CG2 3.35Å; T323-V327 PolarHBondContact O-N 3.16Å; G324-V327 PolarHBondContact O-N 2.89Å; V327-A329 PolarHBondContact O-N 2.81Å; V327-V330 PolarHBondContact O-N 3.24Å; V327-M331 HydrophobicContact CG1-CG 4.4Å; V327-M331 HydrophobicContact CG1-SD 4.07Å; V327-M331 WeakPolarHBondContact O-CB 3.3Å; V327-M331 WeakPolarHBondContact O-CG 2.91Å; V327-M331 PolarHBondContact O-N 2.71Å
328	A	74.3	Confident	72.5	Confident	59 Å²	59	107.2 Å²	107.2	49%	0.488	60%	0.6	S	S	.	*	H	α-helix	trans	-61.1	-43.2	176.5	0	0	0	0	0	112.1	G324 A325 V326 M331 W332	G324-A328 WeakPolarHBondContact O-CB 2.84Å; G324-A328 PolarHBondContact O-N 3.1Å; A325-A328 PolarHBondContact O-N 3.45Å; V326-A328 PolarHBondContact O-N 3.46Å; A328-M331 PolarHBondContact O-N 3.07Å; A328-W332 WeakPolarHBondContact O-CB 3.48Å; A328-W332 PolarHBondContact O-N 2.99Å
329	A	74.2	Confident	72	Confident	52 Å²	52	107.1 Å²	107.1	43%	0.43	60%	0.601	S	S	.	*	H	α-helix	trans	-65.5	-40.4	177.2	0	0	0	0	0	112.7	A325 V326 V327 W332 R333	A325-A329 WeakPolarHBondContact O-CB 3.47Å; A325-A329 PolarHBondContact O-N 2.92Å; V326-A329 PolarHBondContact O-N 2.7Å; V327-A329 PolarHBondContact O-N 2.81Å; A329-W332 PolarHBondContact O-N 3.17Å; A329-R333 PolarHBondContact O-N 3.02Å
330	V	72.8	Confident	71.5	Confident	81 Å²	81	111 Å²	111	49%	0.491	61%	0.613	S	S	.	*	H	α-helix	trans	-66.4	-43.1	175.8	170.2	0	0	0	0	111	V326 V327 W332 R333 R334	V326-V330 HydrophobicContact CG1-CG2 4.35Å; V326-V330 WeakPolarHBondContact O-CB 3.35Å; V326-V330 VanDerWaalsContact O-CG2 3.28Å; V326-V330 WeakPolarHBondContact O-CG2 3.34Å; V326-V330 PolarHBondContact O-N 3.31Å; V327-V330 PolarHBondContact O-N 3.24Å; V330-W332 VanDerWaalsContact C-N 3.33Å; V330-W332 PolarHBondContact O-N 2.9Å; V330-R333 PolarHBondContact O-N 3.24Å; V330-R334 PolarHBondContact O-N 2.84Å
331	M	72.1	Confident	70.9	Confident	127 Å²	127	114.1 Å²	114.1	63%	0.626	62%	0.621	S	S	*	*	H	α-helix	trans	-63.3	-39.4	175.4	-74.8	-176.9	67.6	0	0	111.9	V327 A328 R334 K335	V327-M331 HydrophobicContact CG1-CG 4.4Å; V327-M331 HydrophobicContact CG1-SD 4.07Å; V327-M331 WeakPolarHBondContact O-CB 3.3Å; V327-M331 WeakPolarHBondContact O-CG 2.91Å; V327-M331 PolarHBondContact O-N 2.71Å; A328-M331 PolarHBondContact O-N 3.07Å; M331-R334 PolarHBondContact O-N 3.25Å; M331-K335 PolarHBondContact O-N 2.9Å
332	W	71.1	Confident	70.2	Confident	206 Å²	206	114.8 Å²	114.8	78%	0.78	62%	0.621	S	S	*	*	H	α-helix	trans	-65.5	-44.3	176.8	-166.9	26.6	0	0	0	111.6	A328 A329 V330 R334 K335 S336	A328-W332 WeakPolarHBondContact O-CB 3.48Å; A328-W332 PolarHBondContact O-N 2.99Å; A329-W332 PolarHBondContact O-N 3.17Å; V330-W332 VanDerWaalsContact C-N 3.33Å; V330-W332 PolarHBondContact O-N 2.9Å; W332-R334 VanDerWaalsContact C-N 3.31Å; W332-R334 PolarHBondContact O-N 3.33Å; W332-K335 PolarHBondContact O-N 2.97Å; W332-K335 VanDerWaalsContact O-N 3.12Å; W332-S336 PolarHBondContact O-N 3.33Å; W332-S336 PolarHBondContact O-OG 2.92Å; W332-S336 VanDerWaalsContact O-OG 3.14Å
333	R	66	Low	69.5	Low	204 Å²	204	115.7 Å²	115.7	77%	0.77	63%	0.628	S	S	*	*	H	α-helix	trans	-60.4	-36.2	173.5	-93.8	-172.7	176.2	179.5	0	113.7	A329 V330 K335 S336	A329-R333 PolarHBondContact O-N 3.02Å; V330-R333 PolarHBondContact O-N 3.24Å; R333-K335 VanDerWaalsContact C-N 3.3Å; R333-K335 PolarHBondContact O-N 3.02Å; R333-S336 WeakPolarHBondContact CA-OG 3.05Å; R333-S336 PolarHBondContact O-OG 2.82Å
334	R	61.5	Low	69	Low	215 Å²	215	117.7 Å²	117.7	81%	0.811	63%	0.634	S	S	*	*	H	α-helix	trans	-71.9	-20.6	176.4	-104.2	-173.5	172.2	-176.6	-1.5	113.9	V330 M331 W332	V330-R334 PolarHBondContact O-N 2.84Å; M331-R334 PolarHBondContact O-N 3.25Å; W332-R334 VanDerWaalsContact C-N 3.31Å; W332-R334 PolarHBondContact O-N 3.33Å
335	K	56.9	Low	68.4	Low	188 Å²	188	123.6 Å²	123.6	82%	0.817	65%	0.65	S	S	*	*	H	α-helix	trans	-94.9	-14.2	179.7	-149	179.8	-174.9	-176	0	112.6	M331 W332 R333	M331-K335 PolarHBondContact O-N 2.9Å; W332-K335 PolarHBondContact O-N 2.97Å; W332-K335 VanDerWaalsContact O-N 3.12Å; R333-K335 VanDerWaalsContact C-N 3.3Å; R333-K335 PolarHBondContact O-N 3.02Å
336	S	54.9	Low	67.6	Low	90 Å²	90	128.9 Å²	128.9	63%	0.629	66%	0.663	S	S	*	*			trans	-102.8	10.3	178.5	61.2	0	0	0	0	113.8	W332 R333	W332-S336 PolarHBondContact O-N 3.33Å; W332-S336 PolarHBondContact O-OG 2.92Å; W332-S336 VanDerWaalsContact O-OG 3.14Å; R333-S336 WeakPolarHBondContact CA-OG 3.05Å; R333-S336 PolarHBondContact O-OG 2.82Å
337	S	50.3	Low	66.5	Low	157 Å²	157	133 Å²	133	100%	1.098	68%	0.677	S	S	*	*			trans	-123	0	169.9	-171	0	0	0	0	108.6

Retrieved 337 of 337 residues in 186 ms (Link to these results)

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