A0A076JS26_HUMAN Loading...

MHC class I antigen

AlphaFold DB , UniProt , Accession A0A076JS26, Species HUMAN (Homo sapiens, Human), Gene HLA-A, Length 337 aa.

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(Predicted Aligned Error values between residue pairs)

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Site	Residue	pLDDT	pLDDT confidence	pLDDT₁₀	pLDDT10 confidence	SASA	SASA [Å²]	SASA₁₀	SASA10 [Å²]	RSA	RSA unformatted	RSA₁₀	RSA10 unformatted	Surface	Surface10 (not used)	Disorder (not used)	Disorder	Sec. str.	Secondary structure	Isomer	Phi (φ)	Psi (ψ)	Omega (ω)	Chi 1 (χ₁)	Chi 2 (χ₂)	Chi 3 (χ₃)	Chi 4 (χ₄)	Chi 5 (χ₅)	Tau (τ)	Contacts (colored by PAE)	Contact details
1	M	34.6	Very low	40.7	Very low	242 Å²	242	132 Å²	132	100%	1.192	72%	0.723	S	S	*	*				0	93.2	0	-127.8	176.1	-71.9	0	0	106.5	V3	M1-V3 PolarHBondContact O-N 3.34Å
2	A	34	Very low	40.8	Very low	102 Å²	102	132.1 Å²	132.1	84%	0.843	72%	0.721	S	S	*	*			trans	-80.1	114.7	179.6	0	0	0	0	0	107.6	M4	A2-M4 PolarHBondContact O-N 3.14Å
3	V	36.7	Very low	40.6	Very low	144 Å²	144	129.5 Å²	129.5	87%	0.873	71%	0.706	S	S	*	*			trans	-69.7	103.3	175.4	178.7	0	0	0	0	107	M1 A5	M1-V3 PolarHBondContact O-N 3.34Å; V3-A5 PolarHBondContact O-N 2.9Å
4	M	37.9	Very low	40.5	Very low	172 Å²	172	124.6 Å²	124.6	85%	0.847	69%	0.685	S	S	*	*			trans	-75	104.5	176.7	-161.7	170.4	65.2	0	0	107.4	A2	A2-M4 PolarHBondContact O-N 3.14Å
5	A	40.2	Very low	40.5	Very low	60 Å²	60	118.6 Å²	118.6	50%	0.496	66%	0.663	S	S	.	*			trans	-56.1	141.4	174.1	0	0	0	0	0	109.8	V3 R7	V3-A5 PolarHBondContact O-N 2.9Å; A5-R7 PolarHBondContact O-N 3.48Å
6	P	42.4	Very low	40.5	Very low	78 Å²	78	114.2 Å²	114.2	51%	0.506	65%	0.647	S	S	.	*			trans	-65.6	122.5	-175.9	10.3	-5.4	0	0	0	109.6	T8 L9	P6-T8 PolarHBondContact O-N 3.48Å; P6-L9 PolarHBondContact O-N 3.43Å
7	R	45.7	Very low	40.3	Very low	213 Å²	213	113.2 Å²	113.2	80%	0.804	64%	0.639	S	S	*	*	H	α-helix	trans	-52.3	-22.3	179	-86.1	177.5	162.2	151.9	-4.9	113.8	A5 L11	A5-R7 PolarHBondContact O-N 3.48Å; R7-L11 WeakPolarHBondContact O-CG 3.42Å; R7-L11 PolarHBondContact O-N 3.46Å
8	T	46	Very low	40	Very low	97 Å²	97	109.8 Å²	109.8	60%	0.595	63%	0.627	S	S	*	*	H	α-helix	trans	-69.6	-35	175	33.1	0	0	0	0	113.5	P6 L11 L12	P6-T8 PolarHBondContact O-N 3.48Å; T8-L11 PolarHBondContact O-N 3.41Å; T8-L12 PolarHBondContact O-N 3.16Å
9	L	42.1	Very low	39.8	Very low	109 Å²	109	110.8 Å²	110.8	57%	0.571	63%	0.63	S	S	*	*	H	α-helix	trans	-70.5	-36.2	177.6	-140.4	93.5	0	0	0	111.3	P6 L13	P6-L9 PolarHBondContact O-N 3.43Å; L9-L13 WeakPolarHBondContact O-CD1 3.33Å; L9-L13 PolarHBondContact O-N 2.87Å
10	L	41.4	Very low	39.8	Very low	115 Å²	115	108.9 Å²	108.9	60%	0.602	62%	0.621	S	S	*	*	H	α-helix	trans	-66.4	-38.1	176.4	-107.4	107.2	0	0	0	112.4	S14	L10-S14 PolarHBondContact O-N 3.34Å; L10-S14 PolarHBondContact O-OG 3.48Å
11	L	46.5	Very low	39.7	Very low	120 Å²	120	111.4 Å²	111.4	63%	0.628	63%	0.627	S	S	*	*	H	α-helix	trans	-69.6	-37.7	179.5	-77.8	163.5	0	0	0	112.8	R7 T8 S14 G15	R7-L11 WeakPolarHBondContact O-CG 3.42Å; R7-L11 PolarHBondContact O-N 3.46Å; T8-L11 PolarHBondContact O-N 3.41Å; L11-S14 WeakPolarHBondContact CA-OG 3.3Å; L11-S14 PolarHBondContact O-N 2.95Å; L11-S14 PolarHBondContact O-OG 3.37Å; L11-G15 PolarHBondContact O-N 2.97Å
12	L	41.9	Very low	40	Very low	133 Å²	133	104.2 Å²	104.2	70%	0.696	60%	0.597	S	S	*	*	H	α-helix	trans	-68.5	-40.2	174.7	-74.8	164.4	0	0	0	111.9	T8 S14 G15 A16	T8-L12 PolarHBondContact O-N 3.16Å; L12-S14 VanDerWaalsContact C-N 3.33Å; L12-S14 PolarHBondContact O-N 3.19Å; L12-G15 PolarHBondContact O-N 3.13Å; L12-A16 PolarHBondContact O-N 3.32Å
13	L	38	Very low	40.8	Very low	99 Å²	99	107.3 Å²	107.3	52%	0.518	59%	0.587	S	S	.	*	H	α-helix	trans	-65.8	-33.9	172.8	-80.7	159.2	0	0	0	112.3	L9 L17	L9-L13 WeakPolarHBondContact O-CD1 3.33Å; L9-L13 PolarHBondContact O-N 2.87Å; L13-L17 VanDerWaalsContact O-CB 3.23Å; L13-L17 WeakPolarHBondContact O-CB 3.39Å; L13-L17 WeakPolarHBondContact O-CD1 3.49Å; L13-L17 VanDerWaalsContact O-CG 3.31Å; L13-L17 WeakPolarHBondContact O-CG 3.45Å; L13-L17 PolarHBondContact O-N 3.39Å
14	S	40.2	Very low	41.8	Very low	60 Å²	60	103.4 Å²	103.4	42%	0.42	57%	0.57	S	S	.	*	H	α-helix	trans	-74.6	-31.9	175.1	17	0	0	0	0	113	L10 L11 L12 A18	L10-S14 PolarHBondContact O-N 3.34Å; L10-S14 PolarHBondContact O-OG 3.48Å; L11-S14 WeakPolarHBondContact CA-OG 3.3Å; L11-S14 PolarHBondContact O-N 2.95Å; L11-S14 PolarHBondContact O-OG 3.37Å; L12-S14 VanDerWaalsContact C-N 3.33Å; L12-S14 PolarHBondContact O-N 3.19Å; S14-A18 WeakPolarHBondContact O-CB 3.36Å; S14-A18 PolarHBondContact O-N 3.21Å
15	G	39.5	Very low	43.7	Very low	35 Å²	35	96.2 Å²	96.2	36%	0.361	54%	0.54	S	S	.	.	H	α-helix	trans	-66	-45.5	171.7	0	0	0	0	0	112.5	L11 L12 A18 L19	L11-G15 PolarHBondContact O-N 2.97Å; L12-G15 PolarHBondContact O-N 3.13Å; G15-A18 PolarHBondContact O-N 3.14Å; G15-L19 WeakPolarHBondContact O-CD1 3.3Å; G15-L19 PolarHBondContact O-N 2.99Å
16	A	40.8	Very low	46.2	Very low	48 Å²	48	94.6 Å²	94.6	40%	0.397	53%	0.525	S	S	.	.	H	α-helix	trans	-67.2	-41.7	176.4	0	0	0	0	0	112.3	L12 L19 T20	L12-A16 PolarHBondContact O-N 3.32Å; A16-L19 PolarHBondContact O-N 2.9Å; A16-T20 WeakPolarHBondContact O-CG2 3.27Å; A16-T20 PolarHBondContact O-N 3.5Å; A16-T20 VanDerWaalsContact O-N 3.17Å; A16-T20 PolarHBondContact O-OG1 3.38Å
17	L	36.9	Very low	48.7	Very low	97 Å²	97	92.3 Å²	92.3	51%	0.508	51%	0.507	S	S	.	.	H	α-helix	trans	-67.3	-36.7	175.7	-79.4	161.4	0	0	0	112.4	L13 L19 T20 Q21	L13-L17 VanDerWaalsContact O-CB 3.23Å; L13-L17 WeakPolarHBondContact O-CB 3.39Å; L13-L17 WeakPolarHBondContact O-CD1 3.49Å; L13-L17 VanDerWaalsContact O-CG 3.31Å; L13-L17 WeakPolarHBondContact O-CG 3.45Å; L13-L17 PolarHBondContact O-N 3.39Å; L17-L19 PolarHBondContact O-N 2.99Å; L17-T20 WeakPolarHBondContact CA-OG1 3.45Å; L17-T20 PolarHBondContact O-N 2.89Å; L17-T20 PolarHBondContact O-OG1 3.46Å; L17-Q21 WeakPolarHBondContact O-CB 3.39Å; L17-Q21 PolarHBondContact O-N 3.32Å
18	A	35.8	Very low	51.2	Low	52 Å²	52	83.2 Å²	83.2	43%	0.43	48%	0.476	S	S	.	.	H	α-helix	trans	-66.2	-35	177.6	0	0	0	0	0	112.8	S14 G15 T22	S14-A18 WeakPolarHBondContact O-CB 3.36Å; S14-A18 PolarHBondContact O-N 3.21Å; G15-A18 PolarHBondContact O-N 3.14Å; A18-T22 VanDerWaalsContact O-CG2 3.28Å; A18-T22 WeakPolarHBondContact O-CG2 3.37Å; A18-T22 PolarHBondContact O-OG1 2.67Å
19	L	36.3	Very low	53.7	Low	129 Å²	129	78.6 Å²	78.6	68%	0.675	45%	0.448	S	S	*	.	H	α-helix	trans	-69.5	-38.1	171.6	-94.5	116.8	0	0	0	112.1	G15 A16 L17	G15-L19 WeakPolarHBondContact O-CD1 3.3Å; G15-L19 PolarHBondContact O-N 2.99Å; A16-L19 PolarHBondContact O-N 2.9Å; L17-L19 PolarHBondContact O-N 2.99Å
20	T	39.8	Very low	56.4	Low	73 Å²	73	75.9 Å²	75.9	45%	0.448	43%	0.43	S	S	.	.	H	α-helix	trans	-74.5	-25.9	179.7	58.4	0	0	0	0	114.5	A16 L17	A16-T20 WeakPolarHBondContact O-CG2 3.27Å; A16-T20 PolarHBondContact O-N 3.5Å; A16-T20 VanDerWaalsContact O-N 3.17Å; A16-T20 PolarHBondContact O-OG1 3.38Å; L17-T20 WeakPolarHBondContact CA-OG1 3.45Å; L17-T20 PolarHBondContact O-N 2.89Å; L17-T20 PolarHBondContact O-OG1 3.46Å
21	Q	36	Very low	59.2	Low	162 Å²	162	70.7 Å²	70.7	76%	0.757	40%	0.403	S	S	*	.	H	α-helix	trans	-91	-13.8	-176.9	-98	-178.4	-8.8	0	0	114.9	L17	L17-Q21 WeakPolarHBondContact O-CB 3.39Å; L17-Q21 PolarHBondContact O-N 3.32Å
22	T	42.2	Very low	61.6	Low	90 Å²	90	68.9 Å²	68.9	55%	0.552	39%	0.39	S	S	*	.	S	Bend	trans	-93.5	-9.7	-167.9	43.7	0	0	0	0	115.5	A18	A18-T22 VanDerWaalsContact O-CG2 3.28Å; A18-T22 WeakPolarHBondContact O-CG2 3.37Å; A18-T22 PolarHBondContact O-OG1 2.67Å
23	W	49.5	Very low	64.3	Low	167 Å²	167	63 Å²	63	63%	0.633	36%	0.358	S	S	*	.			trans	-131.6	-5.9	-170.8	-64.4	80.5	0	0	0	116.1	G25 S26	W23-G25 PolarHBondContact O-N 2.94Å; W23-S26 PolarHBondContact O-N 3.43Å; W23-S26 VanDerWaalsContact O-N 3.16Å; W23-S26 PolarHBondContact O-OG 2.95Å
24	A	58.3	Low	67.2	Low	63 Å²	63	60.4 Å²	60.4	52%	0.521	35%	0.347	S	S	.	.	T	Hydrogen-bonded Turn	trans	-61.8	110	175.5	0	0	0	0	0	109.5	P129 E288	A24-P129 WeakPolarHBondContact O-CG 3.49Å; A24-E288 WeakPolarHBondContact CA-OE1 3.33Å
25	G	78.6	Confident	70	Confident	21 Å²	21	57.7 Å²	57.7	22%	0.216	33%	0.327	C	S	.	.	T	Hydrogen-bonded Turn	trans	80.8	13.2	-178.9	0	0	0	0	0	117.2	W23 P129 E288	W23-G25 PolarHBondContact O-N 2.94Å; G25-P129 WeakPolarHBondContact O-CA 3.3Å; G25-E288 PolarHBondContact N-OE1 3.34Å
26	S	91.9	Very high	72.8	Confident	26 Å²	26	58.4 Å²	58.4	18%	0.182	33%	0.325	C	S	.	.			trans	-80.5	145.2	164.5	60.5	0	0	0	0	110.5	W23 V127	W23-S26 PolarHBondContact O-N 3.43Å; W23-S26 VanDerWaalsContact O-N 3.16Å; W23-S26 PolarHBondContact O-OG 2.95Å; S26-V127 WeakPolarHBondContact CA-O 3.18Å
27	H	96	Very high	75.5	Confident	29 Å²	29	56.9 Å²	56.9	13%	0.134	31%	0.311	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-130.2	155.7	-180	-66.3	-77.9	0	0	0	111.3	D53 D126 V127 L192 L196	H27-D53 VanDerWaalsContact CA-OD1 3.24Å; H27-D53 WeakPolarHBondContact CA-OD1 3.49Å; H27-D53 IonicContact CE1-OD2 3.16Å; H27-D53 IonicContact CG-OD2 3.78Å; H27-D53 IonicContact ND1-OD1 3.62Å; H27-D53 IonicContact ND1-OD2 3.49Å; H27-D53 PolarHBondContact ND1-OD2 3.25Å; H27-D126 CarbonylContact O-C 3.56Å; H27-D126 WeakPolarHBondContact O-CA 3.23Å; H27-V127 HydrophobicContact CB-CG2 3.99Å; H27-V127 PolarHBondContact N-O 2.83Å; H27-V127 PolarHBondContact O-N 2.86Å; H27-L192 HydrophobicContact CB-CD1 4.46Å; H27-L196 HydrophobicContact CB-CD1 3.68Å; H27-L196 HydrophobicContact CB-CD2 4Å; H27-L196 HydrophobicContact CB-CG 4.42Å; H27-L196 WeakPolarHBondContact ND1-CD2 3.29Å
28	S	97.8	Very high	78.4	Confident	22 Å²	22	55.8 Å²	55.8	15%	0.154	30%	0.3	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-133.6	149.9	179	67.4	0	0	0	0	111.9	V52 D53 C125 D126	S28-V52 CarbonylContact O-C 3.57Å; S28-V52 VanDerWaalsContact O-CA 3.32Å; S28-V52 WeakPolarHBondContact O-CA 3.36Å; S28-D53 PolarHBondContact N-OD1 3.34Å; S28-D53 PolarHBondContact O-N 2.97Å; S28-C125 WeakPolarHBondContact CA-O 3.27Å; S28-D126 WeakPolarHBondContact CB-OD1 3.41Å
29	M	98.6	Very high	81.1	Confident	0 Å²	0	55.9 Å²	55.9	0%	0	30%	0.296	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-121.2	124.9	165.5	-175	170.5	60.9	0	0	108.5	Y31 Y51 V52 F57 G124 C125 C188 W191 L192 Y195	M29-Y31 HydrophobicContact CE-CE2 4.18Å; M29-Y31 HydrophobicContact CG-CE2 4.11Å; M29-Y31 HydrophobicContact SD-CE2 3.99Å; M29-Y51 CarbonylContact C-O 3.49Å; M29-Y51 WeakPolarHBondContact CA-O 3.47Å; M29-V52 HydrophobicContact CG-CG2 4.41Å; M29-F57 HydrophobicContact CG-CE1 4.41Å; M29-F57 HydrophobicContact SD-CZ 4.24Å; M29-G124 CarbonylContact O-C 3.53Å; M29-G124 WeakPolarHBondContact O-CA 3.23Å; M29-C125 PolarHBondContact N-O 3.31Å; M29-C125 PolarHBondContact O-N 3.17Å; M29-C188 HydrophobicContact CE-CB 4.13Å; M29-C188 WeakPolarHBondContact CE-O 3.33Å; M29-C188 WeakPolarHBondContact CE-SG 3.43Å; M29-W191 HydrophobicContact CE-CB 4.1Å; M29-L192 HydrophobicContact CB-CB 4.11Å; M29-L192 HydrophobicContact CB-CD1 4.04Å; M29-L192 HydrophobicContact CB-CD2 4.12Å; M29-L192 HydrophobicContact CB-CG 4.31Å; M29-L192 HydrophobicContact CE-CB 4.45Å; M29-Y195 HydrophobicContact SD-CD2 3.74Å; M29-Y195 HydrophobicContact SD-CE2 3.52Å; M29-Y195 VanDerWaalsContact SD-CE2 3.52Å
30	R	98.6	Very high	83.7	Confident	52 Å²	52	54 Å²	54	20%	0.196	31%	0.309	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-130.4	133.9	-177.6	-56.9	-63.6	177.7	77	2.8	110.8	F32 G50 Y51 D126 Y137	R30-F32 HydrophobicContact CB-CD2 4.41Å; R30-F32 HydrophobicContact CB-CE2 3.57Å; R30-F32 HydrophobicContact CB-CZ 3.88Å; R30-G50 CarbonylContact O-C 3.55Å; R30-G50 WeakPolarHBondContact O-CA 3.33Å; R30-Y51 PolarHBondContact N-O 2.91Å; R30-Y51 PolarHBondContact O-N 2.89Å; R30-D126 IonicContact CZ-OD1 3.79Å; R30-D126 IonicContact NE-OD1 3.26Å; R30-D126 PolarHBondContact NE-OD1 3.04Å; R30-D126 IonicContact NH2-OD1 3.46Å; R30-D126 PolarHBondContact NH2-OD1 2.82Å; R30-D126 IonicContact NH2-OD2 2.74Å; R30-D126 PolarHBondContact NH2-OD2 3.43Å; R30-Y137 VanDerWaalsContact NH2-CE2 3.26Å
31	Y	98.8	Very high	86.2	Confident	7 Å²	7	60.6 Å²	60.6	3%	0.027	33%	0.325	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-110.8	137	168.8	-71.7	-86.5	0	0	0	109.4	M29 Y33 V49 F57 V58 M122 Y123	M29-Y31 HydrophobicContact CE-CE2 4.18Å; M29-Y31 HydrophobicContact CG-CE2 4.11Å; M29-Y31 HydrophobicContact SD-CE2 3.99Å; Y31-Y33 HydrophobicContact CD1-CE1 4.34Å; Y31-V49 WeakPolarHBondContact CA-O 3.28Å; Y31-F57 HydrophobicContact CE1-CZ 4.04Å; Y31-F57 AromaticContact CZ-CZ 3.74Å; Y31-F57 WeakPolarHBondContact OH-CZ 3.43Å; Y31-V58 HydrophobicContact CE1-CG2 3.93Å; Y31-M122 WeakPolarHBondContact O-CA 3.45Å; Y31-Y123 VanDerWaalsContact CB-CZ 3.46Å; Y31-Y123 AromaticContact CD2-CE2 3.67Å; Y31-Y123 HydrophobicContact CD2-CE2 3.67Å; Y31-Y123 AromaticContact CD2-CZ 3.75Å; Y31-Y123 HydrophobicContact CG-CE1 4.31Å; Y31-Y123 HydrophobicContact CG-CE2 4.14Å; Y31-Y123 AromaticContact CG-CZ 3.74Å; Y31-Y123 PolarHBondContact N-O 3.04Å; Y31-Y123 PolarHBondContact O-N 2.85Å; Y31-Y123 VanDerWaalsContact O-N 3.09Å
32	F	98.8	Very high	88.9	Confident	82 Å²	82	55.7 Å²	55.7	36%	0.36	32%	0.318	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-124.2	120.2	177.2	-56.6	-94.6	0	0	0	109.1	R30 A48 V49 Y51 I121 M122	R30-F32 HydrophobicContact CB-CD2 4.41Å; R30-F32 HydrophobicContact CB-CE2 3.57Å; R30-F32 HydrophobicContact CB-CZ 3.88Å; F32-A48 WeakPolarHBondContact O-CA 3.43Å; F32-V49 HydrophobicContact CB-CG2 3.84Å; F32-V49 HydrophobicContact CD2-CG2 4.3Å; F32-V49 PolarHBondContact N-O 3.49Å; F32-V49 PolarHBondContact O-N 3.41Å; F32-Y51 HydrophobicContact CD2-CD2 4.18Å; F32-Y51 HydrophobicContact CE2-CD2 4.21Å; F32-I121 CarbonylContact C-O 3.59Å; F32-I121 WeakPolarHBondContact CA-O 3.2Å; F32-M122 HydrophobicContact CD1-CB 3.94Å; F32-M122 HydrophobicContact CD1-CG 3.68Å; F32-M122 HydrophobicContact CE1-CB 4.08Å; F32-M122 HydrophobicContact CE1-CG 3.37Å; F32-M122 HydrophobicContact CZ-CG 4.05Å
33	Y	98.8	Very high	91.3	Very high	10 Å²	10	55.8 Å²	55.8	4%	0.039	31%	0.313	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-110.2	143.4	175.5	-53.4	-20.9	0	0	0	109.7	Y31 F46 I47 A48 Q94 Q120 I121 Y123	Y31-Y33 HydrophobicContact CD1-CE1 4.34Å; Y33-F46 HydrophobicContact CD1-CZ 4.28Å; Y33-F46 HydrophobicContact CD2-CE2 4.4Å; Y33-F46 HydrophobicContact CD2-CZ 4.06Å; Y33-F46 HydrophobicContact CE2-CZ 4.5Å; Y33-F46 HydrophobicContact CG-CE2 4.32Å; Y33-F46 AromaticContact CG-CZ 3.89Å; Y33-F46 HydrophobicContact CG-CZ 3.89Å; Y33-I47 CarbonylContact C-O 3.59Å; Y33-I47 WeakPolarHBondContact CA-O 3.44Å; Y33-A48 HydrophobicContact CD1-CB 3.3Å; Y33-A48 HydrophobicContact CE1-CB 3.45Å; Y33-A48 VanDerWaalsContact CE1-CB 3.45Å; Y33-A48 HydrophobicContact CG-CB 4.27Å; Y33-Q94 HydrophobicContact CD2-CG 3.67Å; Y33-Q94 HydrophobicContact CE2-CB 4.32Å; Y33-Q94 HydrophobicContact CE2-CG 3.68Å; Y33-Q120 WeakPolarHBondContact O-CA 3.49Å; Y33-I121 PolarHBondContact N-O 3.29Å; Y33-I121 PolarHBondContact O-N 3.43Å; Y33-Y123 HydrophobicContact CD2-CE1 4.18Å; Y33-Y123 HydrophobicContact CE1-CE1 4.15Å; Y33-Y123 AromaticContact CE2-CE1 3.55Å; Y33-Y123 HydrophobicContact CE2-CE1 3.55Å; Y33-Y123 AromaticContact CZ-CE1 3.56Å; Y33-Y123 AromaticContact CZ-CZ 3.94Å; Y33-Y123 PolarHBondContact OH-OH 3.35Å
34	T	98.8	Very high	93.6	Very high	44 Å²	44	49.2 Å²	49.2	27%	0.27	29%	0.291	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-139.9	122.3	177	-58.1	0	0	0	0	109.3	V36 F46 I47 T118 I119 Q120	T34-V36 HydrophobicContact CG2-CG2 4.06Å; T34-F46 WeakPolarHBondContact O-CA 3.34Å; T34-I47 PolarHBondContact N-O 2.94Å; T34-I47 PolarHBondContact O-N 3.44Å; T34-T118 HydrophobicContact CG2-CG2 4.01Å; T34-I119 WeakPolarHBondContact CA-O 3.33Å; T34-Q120 HydrophobicContact CG2-CG 4.17Å
35	S	98.7	Very high	95.5	Very high	2 Å²	2	50.5 Å²	50.5	1%	0.014	28%	0.283	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-120.3	117.9	-178.5	-69.8	0	0	0	0	109.5	R45 F46 D98 T118 I119	S35-R45 CarbonylContact C-O 3.6Å; S35-R45 WeakPolarHBondContact CA-O 3.45Å; S35-F46 WeakPolarHBondContact OG-CD2 3.26Å; S35-D98 WeakPolarHBondContact CB-OD2 3.45Å; S35-D98 VanDerWaalsContact OG-CB 3.24Å; S35-D98 WeakPolarHBondContact OG-CB 3.32Å; S35-D98 PolarHBondContact OG-OD2 2.98Å; S35-T118 CarbonylContact O-C 3.59Å; S35-T118 VanDerWaalsContact O-CA 3.3Å; S35-T118 WeakPolarHBondContact O-CA 3.49Å; S35-I119 PolarHBondContact N-O 3.18Å; S35-I119 PolarHBondContact O-N 2.82Å
36	V	98.5	Very high	96.4	Very high	51 Å²	51	49.7 Å²	49.7	31%	0.309	27%	0.273	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-117.6	115.1	-176.4	-174.7	0	0	0	0	109.6	T34 P44 R45 H117 T118	T34-V36 HydrophobicContact CG2-CG2 4.06Å; V36-P44 CarbonylContact O-C 3.53Å; V36-P44 WeakPolarHBondContact O-CA 3.42Å; V36-P44 WeakPolarHBondContact O-CB 3.32Å; V36-R45 PolarHBondContact N-O 3.35Å; V36-R45 PolarHBondContact O-N 2.9Å; V36-H117 WeakPolarHBondContact CA-O 3.37Å; V36-T118 HydrophobicContact CG2-CG2 4.13Å
37	S	97.6	Very high	96.8	Very high	16 Å²	16	50.6 Å²	50.6	11%	0.112	28%	0.276	C	S	.	.			trans	-69	143.4	173.4	76.4	0	0	0	0	110.4	S116 H117	S37-S116 WeakPolarHBondContact O-CB 3.19Å; S37-S116 PolarHBondContact O-OG 2.94Å; S37-H117 PolarHBondContact N-O 3.37Å; S37-H117 PolarHBondContact OG-N 3.38Å; S37-H117 PolarHBondContact OG-O 2.83Å
38	R	96.1	Very high	96.9	Very high	74 Å²	74	49.3 Å²	49.3	28%	0.279	27%	0.27	S	S	.	.			trans	-135.1	73	-179.6	54.7	174	176.3	-158.6	-11.6	111.2	G40 R41 E43 D63	R38-G40 PolarHBondContact O-N 3.1Å; R38-R41 HydrophobicContact CB-CB 4.1Å; R38-R41 WeakPolarHBondContact CD-O 3.09Å; R38-R41 HydrophobicContact CG-CB 4.16Å; R38-R41 PolarHBondContact NE-O 2.94Å; R38-R41 PolarHBondContact O-N 3.47Å; R38-E43 VanDerWaalsContact CZ-O 3.24Å; R38-E43 PolarHBondContact NE-O 3.3Å; R38-E43 PolarHBondContact NH2-O 2.98Å; R38-D63 IonicContact CZ-OD1 3.49Å; R38-D63 IonicContact CZ-OD2 2.77Å; R38-D63 IonicContact NH1-OD1 3.54Å; R38-D63 PolarHBondContact NH1-OD1 3.44Å; R38-D63 IonicContact NH1-OD2 3.88Å; R38-D63 PolarHBondContact NH1-OD2 3.49Å; R38-D63 IonicContact NH2-OD1 2.83Å; R38-D63 PolarHBondContact NH2-OD1 3.46Å; R38-D63 IonicContact NH2-OD2 3.69Å
39	P	92.4	Very high	97	Very high	53 Å²	53	49.6 Å²	49.6	34%	0.344	27%	0.271	S	S	.	.	T	Hydrogen-bonded Turn	trans	-48.2	131.7	-178.4	-26.9	34.5	0	0	0	112.2	R41 E113 G115	P39-R41 PolarHBondContact O-N 3Å; P39-E113 WeakPolarHBondContact CB-O 3.31Å; P39-E113 VanDerWaalsContact CG-O 3.23Å; P39-E113 WeakPolarHBondContact CG-O 3.48Å; P39-G115 VanDerWaalsContact CG-O 3.24Å; P39-G115 WeakPolarHBondContact CG-O 3.37Å
40	G	91.3	Very high	97	Very high	91 Å²	91	49.6 Å²	49.6	94%	0.938	27%	0.271	S	S	*	.	T	Hydrogen-bonded Turn	trans	72.6	1.9	-177.7	0	0	0	0	0	116.1	R38	R38-G40 PolarHBondContact O-N 3.1Å
41	R	93.2	Very high	97	Very high	210 Å²	210	50.4 Å²	50.4	79%	0.792	27%	0.274	S	S	*	.	S	Bend	trans	-124.7	22.5	-179.1	-59.2	-174.9	-179.2	176.9	1.3	113.8	R38 P39	R38-R41 HydrophobicContact CB-CB 4.1Å; R38-R41 WeakPolarHBondContact CD-O 3.09Å; R38-R41 HydrophobicContact CG-CB 4.16Å; R38-R41 PolarHBondContact NE-O 2.94Å; R38-R41 PolarHBondContact O-N 3.47Å; P39-R41 PolarHBondContact O-N 3Å
42	G	91.7	Very high	96.9	Very high	59 Å²	59	50.1 Å²	50.1	61%	0.608	27%	0.273	S	S	*	.	S	Bend	trans	96.2	-162	178.3	0	0	0	0	0	113.7
43	E	94.1	Very high	96.8	Very high	93 Å²	93	47.6 Å²	47.6	44%	0.435	26%	0.263	S	S	.	.	S	Bend	trans	-67.5	152.3	-177.8	-64.6	-59.3	163.7	0	0	112.5	R38 R45 R99	R38-E43 VanDerWaalsContact CZ-O 3.24Å; R38-E43 PolarHBondContact NE-O 3.3Å; R38-E43 PolarHBondContact NH2-O 2.98Å; E43-R45 PolarHBondContact O-N 3.42Å; E43-R99 IonicContact OE1-CZ 3.66Å; E43-R99 IonicContact OE1-NH1 3.48Å; E43-R99 PolarHBondContact OE1-NH1 3.24Å; E43-R99 IonicContact OE1-NH2 3.34Å; E43-R99 PolarHBondContact OE1-NH2 3.47Å; E43-R99 WeakPolarHBondContact OE2-CD 3.31Å; E43-R99 IonicContact OE2-CZ 3.68Å; E43-R99 IonicContact OE2-NE 3.09Å; E43-R99 PolarHBondContact OE2-NE 2.94Å; E43-R99 IonicContact OE2-NH1 3.72Å; E43-R99 PolarHBondContact OE2-NH1 2.64Å; E43-R99 VanDerWaalsContact OE2-NH1 3.15Å; E43-R99 IonicContact OE2-NH2 2.71Å; E43-R99 PolarHBondContact OE2-NH2 2.86Å; E43-R99 VanDerWaalsContact OE2-NH2 3.09Å
44	P	97	Very high	96.6	Very high	28 Å²	28	50.2 Å²	50.2	18%	0.182	28%	0.278	C	S	.	.	P	Polyproline II helix	trans	-50.6	137.8	173.7	-26.3	35.1	0	0	0	112.2	V36 R99 L102	V36-P44 CarbonylContact O-C 3.53Å; V36-P44 WeakPolarHBondContact O-CA 3.42Å; V36-P44 WeakPolarHBondContact O-CB 3.32Å; P44-R99 HydrophobicContact CG-CB 4.46Å; P44-R99 HydrophobicContact CG-CG 4.27Å; P44-L102 HydrophobicContact CB-CD1 3.56Å; P44-L102 HydrophobicContact CG-CD1 3.66Å
45	R	98.2	Very high	96.5	Very high	91 Å²	91	49.4 Å²	49.4	34%	0.343	27%	0.273	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-79.4	127.1	173.8	-175.4	-179.7	-178.6	-175	0	108.7	S35 V36 E43 I47 D61 S62 D63	S35-R45 CarbonylContact C-O 3.6Å; S35-R45 WeakPolarHBondContact CA-O 3.45Å; V36-R45 PolarHBondContact N-O 3.35Å; V36-R45 PolarHBondContact O-N 2.9Å; E43-R45 PolarHBondContact O-N 3.42Å; R45-I47 HydrophobicContact CG-CG1 4.35Å; R45-D61 IonicContact CZ-OD1 3.82Å; R45-D61 IonicContact CZ-OD2 2.86Å; R45-D61 IonicContact NE-OD1 3.94Å; R45-D61 PolarHBondContact NE-OD1 3.49Å; R45-D61 VanDerWaalsContact NE-OD1 3.09Å; R45-D61 IonicContact NE-OD2 3.72Å; R45-D61 IonicContact NH2-OD1 2.8Å; R45-D61 PolarHBondContact NH2-OD1 2.81Å; R45-D61 IonicContact NH2-OD2 3.65Å; R45-D61 PolarHBondContact NH2-OD2 2.76Å; R45-S62 WeakPolarHBondContact CA-OG 3.47Å; R45-D63 WeakPolarHBondContact CD-OD2 3.34Å; R45-D63 IonicContact NE-OD2 3.46Å
46	F	98.6	Very high	96.4	Very high	3 Å²	3	51.8 Å²	51.8	1%	0.013	28%	0.284	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-112.1	125.6	177.2	178.6	-85	0	0	0	109.7	Y33 T34 S35 A48 F60 S62 V91 Q94 S95 D98	Y33-F46 HydrophobicContact CD1-CZ 4.28Å; Y33-F46 HydrophobicContact CD2-CE2 4.4Å; Y33-F46 HydrophobicContact CD2-CZ 4.06Å; Y33-F46 HydrophobicContact CE2-CZ 4.5Å; Y33-F46 HydrophobicContact CG-CE2 4.32Å; Y33-F46 AromaticContact CG-CZ 3.89Å; Y33-F46 HydrophobicContact CG-CZ 3.89Å; T34-F46 WeakPolarHBondContact O-CA 3.34Å; S35-F46 WeakPolarHBondContact OG-CD2 3.26Å; F46-A48 HydrophobicContact CE1-CB 3.61Å; F46-A48 HydrophobicContact CZ-CB 4.02Å; F46-F60 AromaticContact CD1-CD1 3.67Å; F46-F60 HydrophobicContact CD1-CD1 3.67Å; F46-F60 AromaticContact CD1-CE1 3.78Å; F46-F60 HydrophobicContact CD1-CE1 3.78Å; F46-F60 AromaticContact CE1-CD1 3.99Å; F46-F60 HydrophobicContact CE1-CD1 3.99Å; F46-F60 HydrophobicContact CE1-CE1 4.38Å; F46-S62 PolarHBondContact N-OG 2.71Å; F46-S62 PolarHBondContact O-N 2.93Å; F46-S62 PolarHBondContact O-OG 2.82Å; F46-V91 HydrophobicContact CE1-CB 4.08Å; F46-Q94 HydrophobicContact CE2-CB 4.36Å; F46-Q94 HydrophobicContact CE2-CG 3.94Å; F46-Q94 HydrophobicContact CZ-CB 4.21Å; F46-Q94 HydrophobicContact CZ-CG 4.07Å; F46-S95 VanDerWaalsContact CG-CB 3.4Å; F46-D98 HydrophobicContact CD2-CB 4.46Å
47	I	98.8	Very high	96.4	Very high	46 Å²	46	49.3 Å²	49.3	24%	0.236	27%	0.269	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-122.6	132.3	174.3	-57.5	175.2	0	0	0	107.8	Y33 T34 R45 V49 F60	Y33-I47 CarbonylContact C-O 3.59Å; Y33-I47 WeakPolarHBondContact CA-O 3.44Å; T34-I47 PolarHBondContact N-O 2.94Å; T34-I47 PolarHBondContact O-N 3.44Å; R45-I47 HydrophobicContact CG-CG1 4.35Å; I47-V49 HydrophobicContact CG2-CG1 4.41Å; I47-F60 WeakPolarHBondContact CA-O 3.31Å
48	A	98.8	Very high	96.4	Very high	1 Å²	1	48.6 Å²	48.6	1%	0.008	26%	0.264	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-125.3	137.7	171.4	0	0	0	0	0	110.2	F32 Y33 F46 R59 F60 V91	F32-A48 WeakPolarHBondContact O-CA 3.43Å; Y33-A48 HydrophobicContact CD1-CB 3.3Å; Y33-A48 HydrophobicContact CE1-CB 3.45Å; Y33-A48 VanDerWaalsContact CE1-CB 3.45Å; Y33-A48 HydrophobicContact CG-CB 4.27Å; F46-A48 HydrophobicContact CE1-CB 3.61Å; F46-A48 HydrophobicContact CZ-CB 4.02Å; A48-R59 CarbonylContact O-C 3.56Å; A48-R59 VanDerWaalsContact O-CA 3.3Å; A48-R59 WeakPolarHBondContact O-CA 3.17Å; A48-F60 HydrophobicContact CB-CB 4.26Å; A48-F60 PolarHBondContact N-O 3.37Å; A48-F60 PolarHBondContact O-N 2.97Å; A48-V91 HydrophobicContact CB-CG1 4.18Å
49	V	98.8	Very high	96.5	Very high	29 Å²	29	49 Å²	49	18%	0.176	27%	0.265	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-133.7	144.7	173.7	-62.5	0	0	0	0	110	Y31 F32 I47 Y51 Q56 V58 R59	Y31-V49 WeakPolarHBondContact CA-O 3.28Å; F32-V49 HydrophobicContact CB-CG2 3.84Å; F32-V49 HydrophobicContact CD2-CG2 4.3Å; F32-V49 PolarHBondContact N-O 3.49Å; F32-V49 PolarHBondContact O-N 3.41Å; I47-V49 HydrophobicContact CG2-CG1 4.41Å; V49-Y51 HydrophobicContact CB-CE2 4.12Å; V49-Y51 HydrophobicContact CG2-CD2 4.36Å; V49-Y51 HydrophobicContact CG2-CE2 3.86Å; V49-Q56 VanDerWaalsContact CG1-NE2 3.25Å; V49-V58 WeakPolarHBondContact CA-O 3.48Å; V49-R59 HydrophobicContact CG1-CB 4.47Å; V49-R59 HydrophobicContact CG1-CG 4.23Å
50	G	98.6	Very high	96.8	Very high	0 Å²	0	46.7 Å²	46.7	0%	0	25%	0.25	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-121.8	138.1	176.3	0	0	0	0	0	110.6	R30 Q56 F57 V58	R30-G50 CarbonylContact O-C 3.55Å; R30-G50 WeakPolarHBondContact O-CA 3.33Å; G50-Q56 WeakPolarHBondContact O-CA 3.47Å; G50-F57 WeakPolarHBondContact O-CD1 3.19Å; G50-F57 PolarHBondContact O-N 3.18Å; G50-V58 PolarHBondContact N-O 2.92Å; G50-V58 VanDerWaalsContact N-O 3.1Å; G50-V58 PolarHBondContact O-N 3.16Å
51	Y	98.6	Very high	97.2	Very high	69 Å²	69	43.1 Å²	43.1	27%	0.271	21%	0.209	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-125.2	141.6	178.6	-76.5	-102.9	0	0	0	110.6	M29 R30 F32 V49 T55 Q56	M29-Y51 CarbonylContact C-O 3.49Å; M29-Y51 WeakPolarHBondContact CA-O 3.47Å; R30-Y51 PolarHBondContact N-O 2.91Å; R30-Y51 PolarHBondContact O-N 2.89Å; F32-Y51 HydrophobicContact CD2-CD2 4.18Å; F32-Y51 HydrophobicContact CE2-CD2 4.21Å; V49-Y51 HydrophobicContact CB-CE2 4.12Å; V49-Y51 HydrophobicContact CG2-CD2 4.36Å; V49-Y51 HydrophobicContact CG2-CE2 3.86Å; Y51-T55 WeakPolarHBondContact CA-O 3.38Å; Y51-T55 VanDerWaalsContact CD1-C 3.46Å; Y51-Q56 HydrophobicContact CD1-CB 4.03Å; Y51-Q56 VanDerWaalsContact CD1-N 3.31Å; Y51-Q56 HydrophobicContact CD2-CB 4.49Å; Y51-Q56 HydrophobicContact CD2-CG 4.34Å; Y51-Q56 HydrophobicContact CE1-CB 3.53Å; Y51-Q56 HydrophobicContact CE1-CG 4.26Å; Y51-Q56 HydrophobicContact CE2-CB 4.04Å; Y51-Q56 HydrophobicContact CE2-CG 3.83Å; Y51-Q56 HydrophobicContact CG-CB 4.48Å
52	V	98.3	Very high	97.4	Very high	0 Å²	0	34 Å²	34	0%	0	18%	0.178	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-109.1	119.2	156.6	177.4	0	0	0	0	106	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 3.36Å; M29-V52 HydrophobicContact CG-CG2 4.41Å; V52-D54 PolarHBondContact O-N 2.67Å; V52-T55 PolarHBondContact N-O 3.23Å; V52-T55 WeakPolarHBondContact O-CB 3.19Å; V52-T55 PolarHBondContact O-N 3.14Å; V52-F57 HydrophobicContact CG2-CD1 3.99Å; V52-F57 HydrophobicContact CG2-CE1 4Å; V52-W75 HydrophobicContact CG2-CH2 3.94Å; V52-W75 HydrophobicContact CG2-CZ2 4.48Å; V52-L192 HydrophobicContact CG1-CD1 3.61Å; V52-L192 HydrophobicContact CG2-CD1 4.26Å; V52-Y195 HydrophobicContact CG2-CD2 3.97Å; 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 4.08Å; V52-L203 HydrophobicContact CG1-CD1 3.9Å; V52-L203 HydrophobicContact CG1-CD2 4.07Å; V52-L203 HydrophobicContact CG1-CG 4.49Å
53	D	95.8	Very high	97.7	Very high	29 Å²	29	34.8 Å²	34.8	16%	0.155	17%	0.168	C	C	.	.	T	Hydrogen-bonded Turn	trans	48.9	-123.8	-167	-52.4	-40.4	0	0	0	110.7	H27 S28 T55	H27-D53 VanDerWaalsContact CA-OD1 3.24Å; H27-D53 WeakPolarHBondContact CA-OD1 3.49Å; H27-D53 IonicContact CE1-OD2 3.16Å; H27-D53 IonicContact CG-OD2 3.78Å; H27-D53 IonicContact ND1-OD1 3.62Å; H27-D53 IonicContact ND1-OD2 3.49Å; H27-D53 PolarHBondContact ND1-OD2 3.25Å; S28-D53 PolarHBondContact N-OD1 3.34Å; S28-D53 PolarHBondContact O-N 2.97Å; D53-T55 VanDerWaalsContact C-N 3.34Å
54	D	94.7	Very high	97.8	Very high	65 Å²	65	31.8 Å²	31.8	35%	0.348	16%	0.159	S	C	.	.	T	Hydrogen-bonded Turn	trans	-92.3	8.6	179.1	-58.4	-55.4	0	0	0	113.5	V52 Y233 P234 A235 F265	V52-D54 PolarHBondContact O-N 2.67Å; D54-Y233 HydrophobicContact CB-CE2 4.25Å; D54-P234 WeakPolarHBondContact OD2-CB 3.38Å; D54-A235 HydrophobicContact CB-CB 4.28Å; D54-A235 VanDerWaalsContact OD2-CB 3.29Å; D54-A235 WeakPolarHBondContact OD2-CB 3.27Å; D54-A235 PolarHBondContact OD2-N 3.46Å; D54-F265 HydrophobicContact CB-CE2 3.81Å; D54-F265 HydrophobicContact CB-CZ 3.64Å
55	T	95.9	Very high	97.7	Very high	28 Å²	28	35.9 Å²	35.9	17%	0.172	20%	0.195	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-106.7	114.2	-175.7	-61	0	0	0	0	111.9	Y51 V52 D53 F57 L203 Y233	Y51-T55 WeakPolarHBondContact CA-O 3.38Å; Y51-T55 VanDerWaalsContact CD1-C 3.46Å; V52-T55 PolarHBondContact N-O 3.23Å; V52-T55 WeakPolarHBondContact O-CB 3.19Å; V52-T55 PolarHBondContact O-N 3.14Å; D53-T55 VanDerWaalsContact C-N 3.34Å; T55-F57 PolarHBondContact O-N 2.87Å; T55-L203 HydrophobicContact CG2-CD2 4.04Å; T55-Y233 PolarHBondContact OG1-OH 3.5Å; T55-Y233 VanDerWaalsContact OG1-OH 3.1Å
56	Q	97.4	Very high	97.4	Very high	51 Å²	51	34.2 Å²	34.2	24%	0.238	20%	0.197	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-68.4	130.6	173.4	-166.3	179.5	2.8	0	0	110.6	V49 G50 Y51 V58 R72	V49-Q56 VanDerWaalsContact CG1-NE2 3.25Å; G50-Q56 WeakPolarHBondContact O-CA 3.47Å; Y51-Q56 HydrophobicContact CD1-CB 4.03Å; Y51-Q56 VanDerWaalsContact CD1-N 3.31Å; Y51-Q56 HydrophobicContact CD2-CB 4.49Å; Y51-Q56 HydrophobicContact CD2-CG 4.34Å; Y51-Q56 HydrophobicContact CE1-CB 3.53Å; Y51-Q56 HydrophobicContact CE1-CG 4.26Å; Y51-Q56 HydrophobicContact CE2-CB 4.04Å; Y51-Q56 HydrophobicContact CE2-CG 3.83Å; Y51-Q56 HydrophobicContact CG-CB 4.48Å; Q56-V58 PolarHBondContact NE2-O 2.9Å; Q56-R72 HydrophobicContact CG-CB 4.17Å; Q56-R72 HydrophobicContact CG-CG 4.41Å
57	F	98.2	Very high	97.3	Very high	0 Å²	0	38.3 Å²	38.3	0%	0	22%	0.217	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-121.4	-22.4	-179.7	74.3	-82.8	0	0	0	114.6	M29 Y31 G50 V52 T55 R72 A73 W75 I76 Y195	M29-F57 HydrophobicContact CG-CE1 4.41Å; M29-F57 HydrophobicContact SD-CZ 4.24Å; Y31-F57 HydrophobicContact CE1-CZ 4.04Å; Y31-F57 AromaticContact CZ-CZ 3.74Å; Y31-F57 WeakPolarHBondContact OH-CZ 3.43Å; G50-F57 WeakPolarHBondContact O-CD1 3.19Å; G50-F57 PolarHBondContact O-N 3.18Å; V52-F57 HydrophobicContact CG2-CD1 3.99Å; V52-F57 HydrophobicContact CG2-CE1 4Å; T55-F57 PolarHBondContact O-N 2.87Å; F57-R72 PolarHBondContact O-N 3.07Å; F57-A73 HydrophobicContact CB-CB 4.12Å; F57-W75 HydrophobicContact CB-CH2 3.14Å; F57-W75 HydrophobicContact CB-CZ2 3.32Å; F57-W75 HydrophobicContact CB-CZ3 4Å; F57-W75 HydrophobicContact CD1-CH2 4.06Å; F57-W75 AromaticContact CD2-CH2 3.77Å; F57-W75 HydrophobicContact CD2-CH2 3.77Å; F57-W75 HydrophobicContact CD2-CZ3 4.09Å; F57-W75 AromaticContact CG-CH2 3.42Å; F57-W75 HydrophobicContact CG-CH2 3.42Å; F57-W75 VanDerWaalsContact CG-CH2 3.42Å; F57-W75 HydrophobicContact CG-CZ2 4.07Å; F57-W75 HydrophobicContact CG-CZ3 4.19Å; F57-I76 HydrophobicContact CD2-CB 4.45Å; F57-I76 HydrophobicContact CD2-CD1 3.97Å; F57-I76 HydrophobicContact CD2-CG1 4.02Å; F57-I76 HydrophobicContact CE2-CD1 4.33Å; F57-I76 VanDerWaalsContact O-CG2 3.26Å; F57-I76 WeakPolarHBondContact O-CG2 3.47Å; F57-Y195 HydrophobicContact CE2-CD2 4.26Å; F57-Y195 AromaticContact CE2-CE2 3.68Å; F57-Y195 HydrophobicContact CE2-CE2 3.68Å; F57-Y195 AromaticContact CE2-CZ 3.99Å; F57-Y195 HydrophobicContact CZ-CD2 4.3Å; F57-Y195 AromaticContact CZ-CE2 3.81Å; F57-Y195 HydrophobicContact CZ-CE2 3.81Å
58	V	98.5	Very high	97.3	Very high	0 Å²	0	43.4 Å²	43.4	0%	0	23%	0.233	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-140.1	154.9	176.6	-72.8	0	0	0	0	112.6	Y31 V49 G50 Q56 M69 E70 I76 W84	Y31-V58 HydrophobicContact CE1-CG2 3.93Å; V49-V58 WeakPolarHBondContact CA-O 3.48Å; G50-V58 PolarHBondContact N-O 2.92Å; G50-V58 VanDerWaalsContact N-O 3.1Å; G50-V58 PolarHBondContact O-N 3.16Å; Q56-V58 PolarHBondContact NE2-O 2.9Å; V58-M69 HydrophobicContact CB-CG 4.11Å; V58-M69 HydrophobicContact CB-SD 3.7Å; V58-M69 HydrophobicContact CG1-CG 4.15Å; V58-M69 HydrophobicContact CG1-SD 4.39Å; V58-M69 HydrophobicContact CG2-SD 4.15Å; V58-E70 WeakPolarHBondContact CA-O 3.26Å; V58-I76 HydrophobicContact CG1-CG1 4.36Å; V58-W84 HydrophobicContact CG1-CH2 4.13Å; V58-W84 HydrophobicContact CG1-CZ3 3.91Å
59	R	98.5	Very high	97.2	Very high	83 Å²	83	43.8 Å²	43.8	31%	0.313	24%	0.235	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-147	143.1	173.4	178.8	174.3	170.9	156.2	-0.7	111.4	A48 V49 D61 M69 E70 R72	A48-R59 CarbonylContact O-C 3.56Å; A48-R59 VanDerWaalsContact O-CA 3.3Å; A48-R59 WeakPolarHBondContact O-CA 3.17Å; V49-R59 HydrophobicContact CG1-CB 4.47Å; V49-R59 HydrophobicContact CG1-CG 4.23Å; R59-D61 IonicContact NH2-OD2 3.34Å; R59-D61 PolarHBondContact NH2-OD2 2.72Å; R59-M69 VanDerWaalsContact C-SD 3.53Å; R59-E70 PolarHBondContact N-O 3.38Å; R59-E70 PolarHBondContact O-N 2.97Å; R59-R72 HydrophobicContact CB-CG 3.82Å
60	F	98.8	Very high	97.2	Very high	4 Å²	4	45.3 Å²	45.3	2%	0.018	24%	0.24	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-129.7	144	165	176	-83.1	0	0	0	109.7	F46 I47 A48 Q67 R68 M69 V91 K92	F46-F60 AromaticContact CD1-CD1 3.67Å; F46-F60 HydrophobicContact CD1-CD1 3.67Å; F46-F60 AromaticContact CD1-CE1 3.78Å; F46-F60 HydrophobicContact CD1-CE1 3.78Å; F46-F60 AromaticContact CE1-CD1 3.99Å; F46-F60 HydrophobicContact CE1-CD1 3.99Å; F46-F60 HydrophobicContact CE1-CE1 4.38Å; I47-F60 WeakPolarHBondContact CA-O 3.31Å; A48-F60 HydrophobicContact CB-CB 4.26Å; A48-F60 PolarHBondContact N-O 3.37Å; A48-F60 PolarHBondContact O-N 2.97Å; F60-Q67 VanDerWaalsContact CE2-C 3.46Å; F60-Q67 HydrophobicContact CE2-CB 4.48Å; F60-Q67 WeakPolarHBondContact CE2-O 3.48Å; F60-Q67 HydrophobicContact CZ-CB 4.49Å; F60-R68 WeakPolarHBondContact CD2-O 3.43Å; F60-M69 HydrophobicContact CB-CE 4.42Å; F60-M69 HydrophobicContact CB-SD 3.98Å; F60-V91 HydrophobicContact CB-CG2 4.03Å; F60-V91 HydrophobicContact CD1-CG2 4.13Å; F60-V91 HydrophobicContact CD2-CG2 3.38Å; F60-V91 HydrophobicContact CE1-CG2 4.48Å; F60-V91 HydrophobicContact CE2-CG2 3.77Å; F60-V91 HydrophobicContact CG-CB 4.29Å; 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 4.1Å
61	D	98.5	Very high	97.2	Very high	17 Å²	17	47.6 Å²	47.6	9%	0.091	26%	0.255	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-139.1	121.9	174.3	-165.8	-26.2	0	0	0	109.1	R45 R59 D63 A64	R45-D61 IonicContact CZ-OD1 3.82Å; R45-D61 IonicContact CZ-OD2 2.86Å; R45-D61 IonicContact NE-OD1 3.94Å; R45-D61 PolarHBondContact NE-OD1 3.49Å; R45-D61 VanDerWaalsContact NE-OD1 3.09Å; R45-D61 IonicContact NE-OD2 3.72Å; R45-D61 IonicContact NH2-OD1 2.8Å; R45-D61 PolarHBondContact NH2-OD1 2.81Å; R45-D61 IonicContact NH2-OD2 3.65Å; R45-D61 PolarHBondContact NH2-OD2 2.76Å; R59-D61 IonicContact NH2-OD2 3.34Å; R59-D61 PolarHBondContact NH2-OD2 2.72Å; D61-D63 PolarHBondContact O-N 3.34Å; D61-D63 PolarHBondContact OD1-N 3.04Å; D61-D63 VanDerWaalsContact OD1-N 3.14Å; D61-A64 HydrophobicContact CB-CB 4.13Å; D61-A64 WeakPolarHBondContact O-CB 3.2Å; D61-A64 PolarHBondContact O-N 2.97Å; D61-A64 VanDerWaalsContact O-N 3.12Å
62	S	97.9	Very high	97.1	Very high	19 Å²	19	49.9 Å²	49.9	13%	0.133	26%	0.263	C	S	.	.	T	Hydrogen-bonded Turn	trans	-64.9	-23.9	-179	65.3	0	0	0	0	113.2	R45 F46 A64 Q67	R45-S62 WeakPolarHBondContact CA-OG 3.47Å; F46-S62 PolarHBondContact N-OG 2.71Å; F46-S62 PolarHBondContact O-N 2.93Å; F46-S62 PolarHBondContact O-OG 2.82Å; S62-A64 VanDerWaalsContact C-N 3.35Å; S62-Q67 PolarHBondContact O-NE2 2.67Å
63	D	97.3	Very high	97	Very high	75 Å²	75	50.1 Å²	50.1	40%	0.401	27%	0.265	S	S	.	.	T	Hydrogen-bonded Turn	trans	-86.7	-7	178.6	-75.4	-0.2	0	0	0	112.3	R38 R45 D61	R38-D63 IonicContact CZ-OD1 3.49Å; R38-D63 IonicContact CZ-OD2 2.77Å; R38-D63 IonicContact NH1-OD1 3.54Å; R38-D63 PolarHBondContact NH1-OD1 3.44Å; R38-D63 IonicContact NH1-OD2 3.88Å; R38-D63 PolarHBondContact NH1-OD2 3.49Å; R38-D63 IonicContact NH2-OD1 2.83Å; R38-D63 PolarHBondContact NH2-OD1 3.46Å; R38-D63 IonicContact NH2-OD2 3.69Å; R45-D63 WeakPolarHBondContact CD-OD2 3.34Å; R45-D63 IonicContact NE-OD2 3.46Å; D61-D63 PolarHBondContact O-N 3.34Å; D61-D63 PolarHBondContact OD1-N 3.04Å; D61-D63 VanDerWaalsContact OD1-N 3.14Å
64	A	96.7	Very high	97	Very high	29 Å²	29	53.7 Å²	53.7	24%	0.24	29%	0.29	C	S	.	.	S	Bend	trans	-71.5	145.6	174.6	0	0	0	0	0	111.3	D61 S62 S66 Q67	D61-A64 HydrophobicContact CB-CB 4.13Å; D61-A64 WeakPolarHBondContact O-CB 3.2Å; D61-A64 PolarHBondContact O-N 2.97Å; D61-A64 VanDerWaalsContact O-N 3.12Å; S62-A64 VanDerWaalsContact C-N 3.35Å; A64-S66 VanDerWaalsContact C-N 3.29Å; A64-S66 PolarHBondContact O-N 2.94Å; A64-Q67 WeakPolarHBondContact O-CG 3.38Å; A64-Q67 PolarHBondContact O-N 2.91Å
65	A	95.8	Very high	97.1	Very high	114 Å²	114	51.4 Å²	51.4	94%	0.942	28%	0.276	S	S	*	.	S	Bend	trans	-63.5	-33	-179.7	0	0	0	0	0	113.5
66	S	92.2	Very high	97.2	Very high	56 Å²	56	50.1 Å²	50.1	39%	0.392	27%	0.268	S	S	.	.	S	Bend	trans	-71.8	-32.9	179.2	58.8	0	0	0	0	112.2	A64 R68 E70	A64-S66 VanDerWaalsContact C-N 3.29Å; A64-S66 PolarHBondContact O-N 2.94Å; S66-R68 WeakPolarHBondContact O-CG 3.46Å; S66-R68 PolarHBondContact O-N 2.79Å; S66-E70 PolarHBondContact OG-OE1 3.06Å
67	Q	95.5	Very high	97.2	Very high	90 Å²	90	53.6 Å²	53.6	42%	0.421	28%	0.284	S	S	.	.			trans	38.8	50.6	-168.8	-59.8	-171.7	-27	0	0	111.8	F60 S62 A64 K92	F60-Q67 VanDerWaalsContact CE2-C 3.46Å; F60-Q67 HydrophobicContact CE2-CB 4.48Å; F60-Q67 WeakPolarHBondContact CE2-O 3.48Å; F60-Q67 HydrophobicContact CZ-CB 4.49Å; S62-Q67 PolarHBondContact O-NE2 2.67Å; A64-Q67 WeakPolarHBondContact O-CG 3.38Å; A64-Q67 PolarHBondContact O-N 2.91Å; Q67-K92 WeakPolarHBondContact O-CE 3.34Å; Q67-K92 PolarHBondContact O-NZ 2.92Å
68	R	97.7	Very high	97	Very high	153 Å²	153	59.3 Å²	59.3	58%	0.577	31%	0.311	S	S	*	.	S	Bend	trans	-127.7	155.9	-179.9	-82.1	177.2	170.1	174.6	-3.4	110.2	F60 S66 E70 T88	F60-R68 WeakPolarHBondContact CD2-O 3.43Å; S66-R68 WeakPolarHBondContact O-CG 3.46Å; S66-R68 PolarHBondContact O-N 2.79Å; R68-E70 PolarHBondContact O-N 2.75Å; R68-T88 HydrophobicContact CB-CG2 4.49Å; R68-T88 HydrophobicContact CG-CG2 4.1Å
69	M	98.2	Very high	97	Very high	9 Å²	9	59.9 Å²	59.9	4%	0.044	31%	0.314	C	S	.	.			trans	-67.8	127.6	167.6	-172.2	65.5	86	0	0	108.3	V58 R59 F60 W84 E87 T88 V91	V58-M69 HydrophobicContact CB-CG 4.11Å; V58-M69 HydrophobicContact CB-SD 3.7Å; V58-M69 HydrophobicContact CG1-CG 4.15Å; V58-M69 HydrophobicContact CG1-SD 4.39Å; V58-M69 HydrophobicContact CG2-SD 4.15Å; R59-M69 VanDerWaalsContact C-SD 3.53Å; F60-M69 HydrophobicContact CB-CE 4.42Å; F60-M69 HydrophobicContact CB-SD 3.98Å; M69-W84 HydrophobicContact CB-CE3 4.22Å; M69-W84 HydrophobicContact CG-CE3 4.12Å; M69-W84 HydrophobicContact CG-CZ3 3.97Å; M69-E87 HydrophobicContact CB-CB 4.15Å; M69-E87 HydrophobicContact CE-CB 4.33Å; M69-E87 HydrophobicContact CG-CB 4.11Å; M69-T88 PolarHBondContact N-OG1 3.37Å; M69-V91 HydrophobicContact CE-CB 4.44Å; M69-V91 HydrophobicContact CE-CG1 3.38Å; M69-V91 HydrophobicContact CE-CG2 4.28Å
70	E	98.1	Very high	96.9	Very high	61 Å²	61	57.6 Å²	57.6	29%	0.285	32%	0.316	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-115.6	139	-175.1	-67.1	174.4	170.4	0	0	110.6	V58 R59 S66 R68 R72	V58-E70 WeakPolarHBondContact CA-O 3.26Å; R59-E70 PolarHBondContact N-O 3.38Å; R59-E70 PolarHBondContact O-N 2.97Å; S66-E70 PolarHBondContact OG-OE1 3.06Å; R68-E70 PolarHBondContact O-N 2.75Å; E70-R72 IonicContact OE2-CZ 2.74Å; E70-R72 IonicContact OE2-NH2 3.05Å; E70-R72 PolarHBondContact OE2-NH2 3.47Å
71	P	98.1	Very high	96.8	Very high	48 Å²	48	62 Å²	62	31%	0.312	35%	0.346	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-66.4	145.9	173.2	28.3	-33.9	0	0	0	111.1	I76 E77 W84	P71-I76 HydrophobicContact CB-CG2 3.67Å; P71-E77 HydrophobicContact CB-CG 3.77Å; P71-E77 HydrophobicContact CG-CG 4.03Å; P71-W84 HydrophobicContact CB-CH2 3.62Å; P71-W84 HydrophobicContact CB-CZ2 4.01Å; P71-W84 HydrophobicContact CB-CZ3 4.47Å; P71-W84 HydrophobicContact CG-CH2 4.23Å; P71-W84 HydrophobicContact CG-CZ2 4.42Å
72	R	97.5	Very high	96.8	Very high	116 Å²	116	69 Å²	69	44%	0.438	38%	0.378	S	S	.	.			trans	-128.6	-1.3	174.1	-60.7	-64.6	168	179	-2.8	113.4	Q56 F57 R59 E70	Q56-R72 HydrophobicContact CG-CB 4.17Å; Q56-R72 HydrophobicContact CG-CG 4.41Å; F57-R72 PolarHBondContact O-N 3.07Å; R59-R72 HydrophobicContact CB-CG 3.82Å; E70-R72 IonicContact OE2-CZ 2.74Å; E70-R72 IonicContact OE2-NH2 3.05Å; E70-R72 PolarHBondContact OE2-NH2 3.47Å
73	A	96.1	Very high	96.8	Very high	5 Å²	5	68.9 Å²	68.9	4%	0.041	37%	0.374	C	S	.	.	S	Bend	trans	-135.8	144	173.1	0	0	0	0	0	110.9	F57 W75 I76	F57-A73 HydrophobicContact CB-CB 4.12Å; A73-W75 VanDerWaalsContact C-N 3.28Å; A73-W75 HydrophobicContact CB-CD2 4.17Å; A73-W75 HydrophobicContact CB-CG 4.36Å; A73-W75 HydrophobicContact CB-CZ2 4.01Å; A73-W75 PolarHBondContact O-N 2.75Å; A73-I76 WeakPolarHBondContact O-CG2 3.24Å; A73-I76 PolarHBondContact O-N 2.78Å
74	P	96.4	Very high	96.8	Very high	105 Å²	105	67.3 Å²	67.3	68%	0.682	36%	0.363	S	S	*	.	G	3₁₀ helix	trans	-58.9	-37	-177.6	-26.5	35	0	0	0	113.9	I76 E77	P74-I76 PolarHBondContact O-N 2.62Å; P74-E77 WeakPolarHBondContact O-CB 3.34Å; P74-E77 PolarHBondContact O-N 3.48Å; P74-E77 VanDerWaalsContact O-N 3.15Å
75	W	96.4	Very high	96.9	Very high	17 Å²	17	69.8 Å²	69.8	6%	0.064	37%	0.372	C	S	.	.	G	3₁₀ helix	trans	-70	-15	-176.3	54.1	-105.8	0	0	0	114.3	V52 F57 A73 Q78 Y195 L203	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 3.32Å; F57-W75 HydrophobicContact CB-CZ3 4Å; F57-W75 HydrophobicContact CD1-CH2 4.06Å; F57-W75 AromaticContact CD2-CH2 3.77Å; F57-W75 HydrophobicContact CD2-CH2 3.77Å; F57-W75 HydrophobicContact CD2-CZ3 4.09Å; F57-W75 AromaticContact CG-CH2 3.42Å; F57-W75 HydrophobicContact CG-CH2 3.42Å; F57-W75 VanDerWaalsContact CG-CH2 3.42Å; F57-W75 HydrophobicContact CG-CZ2 4.07Å; F57-W75 HydrophobicContact CG-CZ3 4.19Å; A73-W75 VanDerWaalsContact C-N 3.28Å; A73-W75 HydrophobicContact CB-CD2 4.17Å; A73-W75 HydrophobicContact CB-CG 4.36Å; A73-W75 HydrophobicContact CB-CZ2 4.01Å; A73-W75 PolarHBondContact O-N 2.75Å; W75-Q78 WeakPolarHBondContact O-CG 3.41Å; W75-Q78 PolarHBondContact O-NE2 3.49Å; W75-Y195 HydrophobicContact CH2-CG 4.2Å; W75-Y195 AromaticContact CZ3-CD1 3.78Å; W75-Y195 HydrophobicContact CZ3-CD1 3.78Å; W75-Y195 HydrophobicContact CZ3-CD2 4.4Å; W75-Y195 AromaticContact CZ3-CG 3.69Å; W75-Y195 HydrophobicContact CZ3-CG 3.69Å; W75-L203 HydrophobicContact CD2-CD1 4.45Å; W75-L203 HydrophobicContact CH2-CD1 4.3Å; W75-L203 HydrophobicContact CZ2-CD1 3.82Å; W75-L203 HydrophobicContact CZ2-CD2 4.06Å; W75-L203 HydrophobicContact CZ2-CG 4.34Å
76	I	97.8	Very high	97	Very high	0 Å²	0	68 Å²	68	0%	0	34%	0.344	C	S	.	.	G	3₁₀ helix	trans	-88.8	-19.6	174.3	-163.3	71.5	0	0	0	111.8	F57 V58 P71 A73 P74 Q78 E79 Y83 W84 Y195	F57-I76 HydrophobicContact CD2-CB 4.45Å; F57-I76 HydrophobicContact CD2-CD1 3.97Å; F57-I76 HydrophobicContact CD2-CG1 4.02Å; F57-I76 HydrophobicContact CE2-CD1 4.33Å; F57-I76 VanDerWaalsContact O-CG2 3.26Å; F57-I76 WeakPolarHBondContact O-CG2 3.47Å; V58-I76 HydrophobicContact CG1-CG1 4.36Å; P71-I76 HydrophobicContact CB-CG2 3.67Å; A73-I76 WeakPolarHBondContact O-CG2 3.24Å; A73-I76 PolarHBondContact O-N 2.78Å; P74-I76 PolarHBondContact O-N 2.62Å; I76-Q78 PolarHBondContact O-N 2.77Å; I76-Q78 VanDerWaalsContact O-N 3.14Å; I76-E79 HydrophobicContact CD1-CG 3.69Å; I76-E79 HydrophobicContact CG1-CG 4.22Å; I76-E79 WeakPolarHBondContact O-CB 3.32Å; I76-E79 WeakPolarHBondContact O-CG 3.47Å; I76-E79 PolarHBondContact O-N 3.32Å; I76-Y83 HydrophobicContact CD1-CE1 4.15Å; I76-Y83 HydrophobicContact CG1-CE1 4.15Å; I76-W84 HydrophobicContact CB-CH2 4.47Å; I76-W84 HydrophobicContact CG1-CH2 3.78Å; I76-W84 HydrophobicContact CG1-CZ2 4.08Å; I76-W84 HydrophobicContact CG2-CH2 4Å; I76-W84 HydrophobicContact CG2-CZ2 4.42Å; I76-W84 WeakPolarHBondContact O-CZ2 3.35Å; I76-Y195 HydrophobicContact CD1-CD1 3.8Å; I76-Y195 HydrophobicContact CD1-CE1 3.32Å
77	E	96.4	Very high	97.3	Very high	124 Å²	124	66.4 Å²	66.4	58%	0.579	33%	0.331	S	S	*	.	T	Hydrogen-bonded Turn	trans	-63.8	-22.5	-177	-64.5	-178.3	-175.1	0	0	113.3	P71 P74 E79	P71-E77 HydrophobicContact CB-CG 3.77Å; P71-E77 HydrophobicContact CG-CG 4.03Å; P74-E77 WeakPolarHBondContact O-CB 3.34Å; P74-E77 PolarHBondContact O-N 3.48Å; P74-E77 VanDerWaalsContact O-N 3.15Å; E77-E79 PolarHBondContact O-N 2.95Å
78	Q	95.4	Very high	97.4	Very high	120 Å²	120	62.7 Å²	62.7	56%	0.561	31%	0.314	S	S	*	.	T	Hydrogen-bonded Turn	trans	-71.1	-13.3	175.6	70.4	-172.7	-35.1	0	0	114	W75 I76 N198	W75-Q78 WeakPolarHBondContact O-CG 3.41Å; W75-Q78 PolarHBondContact O-NE2 3.49Å; I76-Q78 PolarHBondContact O-N 2.77Å; I76-Q78 VanDerWaalsContact O-N 3.14Å; Q78-N198 PolarHBondContact NE2-ND2 3.17Å
79	E	97.3	Very high	97.4	Very high	12 Å²	12	62.4 Å²	62.4	6%	0.056	31%	0.313	C	S	.	.	S	Bend	trans	-65.7	138.3	176.6	-66.9	-61.3	161.6	0	0	111.1	I76 E77 Y83 W84 R194 N198	I76-E79 HydrophobicContact CD1-CG 3.69Å; I76-E79 HydrophobicContact CG1-CG 4.22Å; I76-E79 WeakPolarHBondContact O-CB 3.32Å; I76-E79 WeakPolarHBondContact O-CG 3.47Å; I76-E79 PolarHBondContact O-N 3.32Å; E77-E79 PolarHBondContact O-N 2.95Å; 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 4.03Å; E79-Y83 HydrophobicContact CG-CE1 4.27Å; E79-Y83 HydrophobicContact CG-CG 4.18Å; E79-W84 PolarHBondContact O-NE1 3.23Å; E79-R194 IonicContact OE1-CZ 3.43Å; E79-R194 IonicContact OE1-NE 3.49Å; E79-R194 PolarHBondContact OE1-NE 3.11Å; E79-R194 IonicContact OE1-NH2 3.23Å; E79-R194 PolarHBondContact OE1-NH2 2.93Å; E79-R194 IonicContact OE2-CZ 3.4Å; E79-R194 IonicContact OE2-NE 2.74Å; E79-R194 IonicContact OE2-NH2 2.72Å; E79-R194 PolarHBondContact OE2-NH2 2.87Å; E79-N198 PolarHBondContact OE1-ND2 3.35Å
80	G	96.8	Very high	97.4	Very high	35 Å²	35	64.7 Å²	64.7	36%	0.361	33%	0.325	S	S	.	.			trans	-70.4	168.3	-174.8	0	0	0	0	0	113.9	E82 Y83 W84	G80-E82 PolarHBondContact O-N 2.89Å; G80-E82 VanDerWaalsContact O-N 3.17Å; G80-Y83 WeakPolarHBondContact O-CB 3.39Å; G80-Y83 PolarHBondContact O-N 3.19Å; G80-Y83 VanDerWaalsContact O-N 3.07Å; G80-W84 VanDerWaalsContact O-CD1 3.25Å; G80-W84 PolarHBondContact O-N 3.37Å
81	P	97.2	Very high	97.4	Very high	98 Å²	98	61.8 Å²	61.8	64%	0.636	31%	0.311	S	S	*	.	H	α-helix	trans	-58.1	-32.7	-178.7	23.4	-33.9	0	0	0	113.3	Y83 W84 D85	P81-Y83 VanDerWaalsContact C-N 3.29Å; P81-Y83 PolarHBondContact O-N 2.79Å; P81-W84 PolarHBondContact O-N 3.23Å; P81-D85 WeakPolarHBondContact O-CB 3.47Å; P81-D85 PolarHBondContact O-N 2.68Å
82	E	97.8	Very high	97.4	Very high	164 Å²	164	63.3 Å²	63.3	77%	0.766	31%	0.313	S	S	*	.	H	α-helix	trans	-60.4	-37.8	177.7	-64.5	-179.8	178.7	0	0	112.7	G80 Q86	G80-E82 PolarHBondContact O-N 2.89Å; G80-E82 VanDerWaalsContact O-N 3.17Å; E82-Q86 VanDerWaalsContact O-CB 3.23Å; E82-Q86 WeakPolarHBondContact O-CB 3.04Å; E82-Q86 PolarHBondContact O-N 3.08Å
83	Y	97.9	Very high	97.4	Very high	16 Å²	16	60.5 Å²	60.5	6%	0.063	32%	0.315	C	S	.	.	H	α-helix	trans	-63.3	-52	175.2	170.5	-96.3	0	0	0	110.3	I76 E79 G80 P81 D85 Q86 E87 W191 Y195	I76-Y83 HydrophobicContact CD1-CE1 4.15Å; I76-Y83 HydrophobicContact CG1-CE1 4.15Å; 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 4.03Å; E79-Y83 HydrophobicContact CG-CE1 4.27Å; E79-Y83 HydrophobicContact CG-CG 4.18Å; G80-Y83 WeakPolarHBondContact O-CB 3.39Å; G80-Y83 PolarHBondContact O-N 3.19Å; G80-Y83 VanDerWaalsContact O-N 3.07Å; P81-Y83 VanDerWaalsContact C-N 3.29Å; P81-Y83 PolarHBondContact O-N 2.79Å; Y83-D85 VanDerWaalsContact C-N 3.34Å; Y83-D85 PolarHBondContact O-N 3.01Å; Y83-Q86 PolarHBondContact O-N 2.87Å; Y83-E87 HydrophobicContact CD1-CG 4.42Å; Y83-E87 HydrophobicContact CD2-CG 4.09Å; Y83-E87 HydrophobicContact CE1-CG 4.05Å; Y83-E87 HydrophobicContact CE2-CG 3.68Å; Y83-E87 HydrophobicContact CG-CG 4.45Å; Y83-E87 WeakPolarHBondContact O-CB 3.35Å; Y83-E87 WeakPolarHBondContact O-CG 3.24Å; Y83-E87 PolarHBondContact O-N 2.99Å; Y83-W191 AromaticContact CD2-CH2 3.49Å; Y83-W191 HydrophobicContact CD2-CH2 3.49Å; Y83-W191 VanDerWaalsContact CD2-CH2 3.49Å; Y83-W191 HydrophobicContact CD2-CZ2 4.04Å; Y83-W191 AromaticContact CD2-CZ3 3.91Å; Y83-W191 HydrophobicContact CD2-CZ3 3.91Å; Y83-W191 HydrophobicContact CE2-CE3 4.4Å; Y83-W191 AromaticContact CE2-CH2 3.88Å; Y83-W191 HydrophobicContact CE2-CH2 3.88Å; Y83-W191 HydrophobicContact CE2-CZ2 4.32Å; Y83-W191 AromaticContact CE2-CZ3 3.91Å; Y83-W191 HydrophobicContact CE2-CZ3 3.91Å; Y83-Y195 WeakPolarHBondContact CE2-OH 3.42Å; Y83-Y195 PolarHBondContact OH-OH 3.25Å
84	W	98.3	Very high	97.5	Very high	41 Å²	41	62.2 Å²	62.2	16%	0.155	32%	0.322	C	S	.	.	H	α-helix	trans	-63.1	-38.5	-178.8	-62.7	111.2	0	0	0	112.9	V58 M69 P71 I76 E79 G80 P81 T88	V58-W84 HydrophobicContact CG1-CH2 4.13Å; V58-W84 HydrophobicContact CG1-CZ3 3.91Å; M69-W84 HydrophobicContact CB-CE3 4.22Å; M69-W84 HydrophobicContact CG-CE3 4.12Å; M69-W84 HydrophobicContact CG-CZ3 3.97Å; P71-W84 HydrophobicContact CB-CH2 3.62Å; P71-W84 HydrophobicContact CB-CZ2 4.01Å; P71-W84 HydrophobicContact CB-CZ3 4.47Å; P71-W84 HydrophobicContact CG-CH2 4.23Å; P71-W84 HydrophobicContact CG-CZ2 4.42Å; I76-W84 HydrophobicContact CB-CH2 4.47Å; I76-W84 HydrophobicContact CG1-CH2 3.78Å; I76-W84 HydrophobicContact CG1-CZ2 4.08Å; I76-W84 HydrophobicContact CG2-CH2 4Å; I76-W84 HydrophobicContact CG2-CZ2 4.42Å; I76-W84 WeakPolarHBondContact O-CZ2 3.35Å; E79-W84 PolarHBondContact O-NE1 3.23Å; G80-W84 VanDerWaalsContact O-CD1 3.25Å; G80-W84 PolarHBondContact O-N 3.37Å; P81-W84 PolarHBondContact O-N 3.23Å; W84-T88 WeakPolarHBondContact O-CB 3.13Å; W84-T88 PolarHBondContact O-N 2.87Å; W84-T88 PolarHBondContact O-OG1 3.01Å
85	D	98.2	Very high	97.6	Very high	81 Å²	81	58 Å²	58	43%	0.433	30%	0.295	S	S	.	.	H	α-helix	trans	-69.3	-38.6	176	-77.1	-21	0	0	0	111.9	P81 Y83 R89	P81-D85 WeakPolarHBondContact O-CB 3.47Å; P81-D85 PolarHBondContact O-N 2.68Å; Y83-D85 VanDerWaalsContact C-N 3.34Å; Y83-D85 PolarHBondContact O-N 3.01Å; D85-R89 WeakPolarHBondContact O-CB 3.22Å; D85-R89 VanDerWaalsContact O-CG 3.29Å; D85-R89 WeakPolarHBondContact O-CG 3.3Å; D85-R89 PolarHBondContact O-N 3Å; D85-R89 PolarHBondContact O-NE 2.88Å
86	Q	97.8	Very high	97.7	Very high	76 Å²	76	62 Å²	62	36%	0.355	32%	0.315	S	S	.	.	H	α-helix	trans	-67.6	-48.5	175.3	-175.8	62.6	54.7	0	0	111.3	E82 Y83 T88 R89 N90	E82-Q86 VanDerWaalsContact O-CB 3.23Å; E82-Q86 WeakPolarHBondContact O-CB 3.04Å; E82-Q86 PolarHBondContact O-N 3.08Å; Y83-Q86 PolarHBondContact O-N 2.87Å; Q86-T88 PolarHBondContact O-N 2.88Å; Q86-R89 PolarHBondContact O-N 2.79Å; Q86-N90 PolarHBondContact NE2-OD1 2.84Å; Q86-N90 PolarHBondContact O-N 2.86Å; Q86-N90 PolarHBondContact O-ND2 3.29Å; Q86-N90 PolarHBondContact O-OD1 2.96Å
87	E	97.9	Very high	97.7	Very high	24 Å²	24	65.2 Å²	65.2	11%	0.112	33%	0.334	C	S	.	.	H	α-helix	trans	-63.8	-41.7	179.5	-71.7	-51.9	109.5	0	0	111.6	M69 Y83 R89 N90 V91	M69-E87 HydrophobicContact CB-CB 4.15Å; M69-E87 HydrophobicContact CE-CB 4.33Å; M69-E87 HydrophobicContact CG-CB 4.11Å; Y83-E87 HydrophobicContact CD1-CG 4.42Å; Y83-E87 HydrophobicContact CD2-CG 4.09Å; Y83-E87 HydrophobicContact CE1-CG 4.05Å; Y83-E87 HydrophobicContact CE2-CG 3.68Å; Y83-E87 HydrophobicContact CG-CG 4.45Å; Y83-E87 WeakPolarHBondContact O-CB 3.35Å; Y83-E87 WeakPolarHBondContact O-CG 3.24Å; Y83-E87 PolarHBondContact O-N 2.99Å; E87-R89 VanDerWaalsContact C-N 3.34Å; E87-R89 PolarHBondContact O-N 3.31Å; E87-N90 PolarHBondContact O-N 3.02Å; E87-N90 PolarHBondContact OE1-ND2 2.81Å; E87-V91 WeakPolarHBondContact O-CG2 3.49Å; E87-V91 PolarHBondContact O-N 2.98Å
88	T	98.4	Very high	97.7	Very high	11 Å²	11	59.4 Å²	59.4	7%	0.067	31%	0.307	C	S	.	.	H	α-helix	trans	-60.4	-42.7	173.6	-62.5	0	0	0	0	111.7	R68 M69 W84 Q86 V91 K92	R68-T88 HydrophobicContact CB-CG2 4.49Å; R68-T88 HydrophobicContact CG-CG2 4.1Å; M69-T88 PolarHBondContact N-OG1 3.37Å; W84-T88 WeakPolarHBondContact O-CB 3.13Å; W84-T88 PolarHBondContact O-N 2.87Å; W84-T88 PolarHBondContact O-OG1 3.01Å; Q86-T88 PolarHBondContact O-N 2.88Å; T88-V91 WeakPolarHBondContact O-CG2 3.31Å; T88-K92 HydrophobicContact CG2-CD 4.17Å; T88-K92 WeakPolarHBondContact O-CB 3.45Å; T88-K92 VanDerWaalsContact O-CG 3.32Å; T88-K92 WeakPolarHBondContact O-CG 3.39Å; T88-K92 PolarHBondContact O-N 2.87Å
89	R	98.3	Very high	97.8	Very high	148 Å²	148	58.8 Å²	58.8	56%	0.558	30%	0.3	S	S	*	.	H	α-helix	trans	-64.5	-42	176.4	-79.6	-175.4	-67.4	141.2	-0.9	111.7	D85 Q86 E87 K92 A93	D85-R89 WeakPolarHBondContact O-CB 3.22Å; D85-R89 VanDerWaalsContact O-CG 3.29Å; D85-R89 WeakPolarHBondContact O-CG 3.3Å; D85-R89 PolarHBondContact O-N 3Å; D85-R89 PolarHBondContact O-NE 2.88Å; Q86-R89 PolarHBondContact O-N 2.79Å; E87-R89 VanDerWaalsContact C-N 3.34Å; E87-R89 PolarHBondContact O-N 3.31Å; R89-K92 PolarHBondContact O-N 2.88Å; R89-A93 WeakPolarHBondContact O-CB 3.39Å; R89-A93 PolarHBondContact O-N 2.79Å
90	N	97.4	Very high	97.8	Very high	56 Å²	56	62.7 Å²	62.7	30%	0.299	32%	0.324	S	S	.	.	H	α-helix	trans	-59.9	-51.3	178.9	-66.9	-18.2	0	0	0	111.3	Q86 E87 K92 A93 Q94	Q86-N90 PolarHBondContact NE2-OD1 2.84Å; Q86-N90 PolarHBondContact O-N 2.86Å; Q86-N90 PolarHBondContact O-ND2 3.29Å; Q86-N90 PolarHBondContact O-OD1 2.96Å; E87-N90 PolarHBondContact O-N 3.02Å; E87-N90 PolarHBondContact OE1-ND2 2.81Å; N90-K92 VanDerWaalsContact C-N 3.35Å; N90-K92 PolarHBondContact O-N 2.81Å; N90-A93 PolarHBondContact O-N 3.16Å; N90-Q94 PolarHBondContact O-N 2.97Å
91	V	97.9	Very high	97.9	Very high	0 Å²	0	63.8 Å²	63.8	0%	0	32%	0.322	C	S	.	.	H	α-helix	trans	-69.9	-30	-179.4	-63.3	0	0	0	0	113.3	F46 A48 F60 M69 E87 T88 Q94 S95	F46-V91 HydrophobicContact CE1-CB 4.08Å; A48-V91 HydrophobicContact CB-CG1 4.18Å; F60-V91 HydrophobicContact CB-CG2 4.03Å; F60-V91 HydrophobicContact CD1-CG2 4.13Å; F60-V91 HydrophobicContact CD2-CG2 3.38Å; F60-V91 HydrophobicContact CE1-CG2 4.48Å; F60-V91 HydrophobicContact CE2-CG2 3.77Å; F60-V91 HydrophobicContact CG-CB 4.29Å; F60-V91 HydrophobicContact CG-CG2 3.58Å; F60-V91 HydrophobicContact CZ-CG2 4.31Å; M69-V91 HydrophobicContact CE-CB 4.44Å; M69-V91 HydrophobicContact CE-CG1 3.38Å; M69-V91 HydrophobicContact CE-CG2 4.28Å; E87-V91 WeakPolarHBondContact O-CG2 3.49Å; E87-V91 PolarHBondContact O-N 2.98Å; T88-V91 WeakPolarHBondContact O-CG2 3.31Å; V91-Q94 PolarHBondContact O-N 2.93Å; V91-S95 WeakPolarHBondContact O-CB 2.95Å; V91-S95 PolarHBondContact O-N 2.81Å
92	K	98.2	Very high	97.9	Very high	80 Å²	80	59.5 Å²	59.5	35%	0.348	29%	0.293	S	S	.	.	H	α-helix	trans	-68.5	-38.8	171.2	-76.8	-174.6	-180	-175.9	0	112.3	F60 Q67 T88 R89 N90 S95 Q96	F60-K92 HydrophobicContact CE2-CG 4.21Å; F60-K92 HydrophobicContact CZ-CG 4.1Å; Q67-K92 WeakPolarHBondContact O-CE 3.34Å; Q67-K92 PolarHBondContact O-NZ 2.92Å; T88-K92 HydrophobicContact CG2-CD 4.17Å; T88-K92 WeakPolarHBondContact O-CB 3.45Å; T88-K92 VanDerWaalsContact O-CG 3.32Å; T88-K92 WeakPolarHBondContact O-CG 3.39Å; T88-K92 PolarHBondContact O-N 2.87Å; R89-K92 PolarHBondContact O-N 2.88Å; N90-K92 VanDerWaalsContact C-N 3.35Å; N90-K92 PolarHBondContact O-N 2.81Å; K92-S95 PolarHBondContact O-N 3.42Å; K92-S95 PolarHBondContact O-OG 2.88Å; K92-Q96 WeakPolarHBondContact O-CG 3.37Å; K92-Q96 PolarHBondContact O-N 2.94Å
93	A	98.3	Very high	97.8	Very high	58 Å²	58	53.3 Å²	53.3	48%	0.479	27%	0.274	S	S	.	.	H	α-helix	trans	-64.3	-45.2	173.9	0	0	0	0	0	110.6	R89 N90 S95 Q96 T97	R89-A93 WeakPolarHBondContact O-CB 3.39Å; R89-A93 PolarHBondContact O-N 2.79Å; N90-A93 PolarHBondContact O-N 3.16Å; A93-S95 VanDerWaalsContact C-N 3.35Å; A93-S95 PolarHBondContact O-N 3.41Å; A93-Q96 PolarHBondContact O-N 2.75Å; A93-T97 PolarHBondContact O-N 3.03Å; A93-T97 VanDerWaalsContact O-N 3.09Å; A93-T97 PolarHBondContact O-OG1 2.98Å
94	Q	98.1	Very high	97.8	Very high	40 Å²	40	54.8 Å²	54.8	19%	0.187	29%	0.285	C	S	.	.	H	α-helix	trans	-60.9	-41.7	176.1	-171.6	66.3	53.1	0	0	112.3	Y33 F46 N90 V91 Q96 T97 D98	Y33-Q94 HydrophobicContact CD2-CG 3.67Å; Y33-Q94 HydrophobicContact CE2-CB 4.32Å; Y33-Q94 HydrophobicContact CE2-CG 3.68Å; F46-Q94 HydrophobicContact CE2-CB 4.36Å; F46-Q94 HydrophobicContact CE2-CG 3.94Å; F46-Q94 HydrophobicContact CZ-CB 4.21Å; F46-Q94 HydrophobicContact CZ-CG 4.07Å; N90-Q94 PolarHBondContact O-N 2.97Å; V91-Q94 PolarHBondContact O-N 2.93Å; Q94-Q96 VanDerWaalsContact C-N 3.26Å; Q94-Q96 PolarHBondContact O-N 2.03Å; Q94-T97 WeakPolarHBondContact O-CA 3.49Å; Q94-T97 WeakPolarHBondContact O-CB 3.19Å; Q94-T97 PolarHBondContact O-N 3.28Å; Q94-T97 VanDerWaalsContact O-N 3.07Å; Q94-D98 PolarHBondContact NE2-OD1 3.44Å; Q94-D98 PolarHBondContact O-N 3.34Å
95	S	97.8	Very high	97.8	Very high	17 Å²	17	53.4 Å²	53.4	12%	0.119	28%	0.28	C	S	.	.	H	α-helix	trans	-62.7	-32.5	179	76.8	0	0	0	0	113.2	F46 V91 K92 A93 R99	F46-S95 VanDerWaalsContact CG-CB 3.4Å; V91-S95 WeakPolarHBondContact O-CB 2.95Å; V91-S95 PolarHBondContact O-N 2.81Å; K92-S95 PolarHBondContact O-N 3.42Å; K92-S95 PolarHBondContact O-OG 2.88Å; A93-S95 VanDerWaalsContact C-N 3.35Å; A93-S95 PolarHBondContact O-N 3.41Å; S95-R99 WeakPolarHBondContact O-CB 3.39Å; S95-R99 PolarHBondContact O-N 3.16Å; S95-R99 VanDerWaalsContact O-N 3.11Å
96	Q	97.8	Very high	97.7	Very high	102 Å²	102	52.9 Å²	52.9	48%	0.477	27%	0.272	S	S	.	.	H	α-helix	trans	-71.9	-38.3	172.4	-62.8	-47.4	-64.7	0	0	112.1	K92 A93 Q94 R99 V100	K92-Q96 WeakPolarHBondContact O-CG 3.37Å; K92-Q96 PolarHBondContact O-N 2.94Å; A93-Q96 PolarHBondContact O-N 2.75Å; Q94-Q96 VanDerWaalsContact C-N 3.26Å; Q94-Q96 PolarHBondContact O-N 2.03Å; Q96-R99 WeakPolarHBondContact O-CB 3.31Å; Q96-R99 PolarHBondContact O-N 2.96Å; Q96-V100 PolarHBondContact O-N 2.95Å
97	T	97.9	Very high	97.7	Very high	67 Å²	67	51.3 Å²	51.3	41%	0.411	28%	0.277	S	S	.	.	H	α-helix	trans	-60.1	-51.8	173.1	-58.2	0	0	0	0	110.8	A93 Q94 R99 V100 D101	A93-T97 PolarHBondContact O-N 3.03Å; A93-T97 VanDerWaalsContact O-N 3.09Å; A93-T97 PolarHBondContact O-OG1 2.98Å; Q94-T97 WeakPolarHBondContact O-CA 3.49Å; Q94-T97 WeakPolarHBondContact O-CB 3.19Å; Q94-T97 PolarHBondContact O-N 3.28Å; Q94-T97 VanDerWaalsContact O-N 3.07Å; T97-R99 VanDerWaalsContact C-N 3.26Å; T97-R99 PolarHBondContact O-N 2.91Å; T97-V100 PolarHBondContact O-N 3.36Å; T97-D101 PolarHBondContact O-N 2.84Å
98	D	97.7	Very high	97.7	Very high	1 Å²	1	52.8 Å²	52.8	1%	0.005	28%	0.282	C	S	.	.	H	α-helix	trans	-60.4	-35.3	179.8	-77.3	24.9	0	0	0	112.3	S35 F46 Q94 D101 L102	S35-D98 WeakPolarHBondContact CB-OD2 3.45Å; S35-D98 VanDerWaalsContact OG-CB 3.24Å; S35-D98 WeakPolarHBondContact OG-CB 3.32Å; S35-D98 PolarHBondContact OG-OD2 2.98Å; F46-D98 HydrophobicContact CD2-CB 4.46Å; Q94-D98 PolarHBondContact NE2-OD1 3.44Å; Q94-D98 PolarHBondContact O-N 3.34Å; D98-D101 PolarHBondContact O-N 3.46Å; D98-L102 WeakPolarHBondContact O-CB 3.41Å; D98-L102 VanDerWaalsContact O-CG 3.31Å; D98-L102 WeakPolarHBondContact O-CG 3.42Å; D98-L102 PolarHBondContact O-N 2.86Å
99	R	97.1	Very high	97.7	Very high	107 Å²	107	55.5 Å²	55.5	40%	0.404	29%	0.291	S	S	.	.	H	α-helix	trans	-60	-45.1	173.6	173.3	-170.2	166.8	158.6	17	111.7	E43 P44 S95 Q96 T97	E43-R99 IonicContact OE1-CZ 3.66Å; E43-R99 IonicContact OE1-NH1 3.48Å; E43-R99 PolarHBondContact OE1-NH1 3.24Å; E43-R99 IonicContact OE1-NH2 3.34Å; E43-R99 PolarHBondContact OE1-NH2 3.47Å; E43-R99 WeakPolarHBondContact OE2-CD 3.31Å; E43-R99 IonicContact OE2-CZ 3.68Å; E43-R99 IonicContact OE2-NE 3.09Å; E43-R99 PolarHBondContact OE2-NE 2.94Å; E43-R99 IonicContact OE2-NH1 3.72Å; E43-R99 PolarHBondContact OE2-NH1 2.64Å; E43-R99 VanDerWaalsContact OE2-NH1 3.15Å; E43-R99 IonicContact OE2-NH2 2.71Å; E43-R99 PolarHBondContact OE2-NH2 2.86Å; E43-R99 VanDerWaalsContact OE2-NH2 3.09Å; P44-R99 HydrophobicContact CG-CB 4.46Å; P44-R99 HydrophobicContact CG-CG 4.27Å; S95-R99 WeakPolarHBondContact O-CB 3.39Å; S95-R99 PolarHBondContact O-N 3.16Å; S95-R99 VanDerWaalsContact O-N 3.11Å; Q96-R99 WeakPolarHBondContact O-CB 3.31Å; Q96-R99 PolarHBondContact O-N 2.96Å; T97-R99 VanDerWaalsContact C-N 3.26Å; T97-R99 PolarHBondContact O-N 2.91Å
100	V	97.6	Very high	97.6	Very high	94 Å²	94	55.6 Å²	55.6	57%	0.57	30%	0.303	S	S	*	.	H	α-helix	trans	-68.9	-39.7	177.5	175.4	0	0	0	0	110.5	Q96 T97 L102 G103 T104	Q96-V100 PolarHBondContact O-N 2.95Å; T97-V100 PolarHBondContact O-N 3.36Å; V100-L102 PolarHBondContact O-N 2.93Å; V100-G103 PolarHBondContact O-N 3.39Å; V100-T104 PolarHBondContact O-N 2.99Å; V100-T104 PolarHBondContact O-OG1 3.44Å
101	D	97.9	Very high	97.5	Very high	58 Å²	58	55.8 Å²	55.8	31%	0.31	30%	0.302	S	S	.	.	H	α-helix	trans	-66.1	-37.7	179.7	-71.5	-19.4	0	0	0	111.8	T97 D98 G103 T104 L105 I119	T97-D101 PolarHBondContact O-N 2.84Å; D98-D101 PolarHBondContact O-N 3.46Å; D101-G103 VanDerWaalsContact C-N 3.29Å; D101-G103 PolarHBondContact O-N 2.62Å; D101-T104 PolarHBondContact O-N 3.06Å; D101-T104 VanDerWaalsContact O-N 3.09Å; D101-L105 WeakPolarHBondContact O-CB 3.42Å; D101-L105 VanDerWaalsContact O-CG 3.3Å; D101-L105 WeakPolarHBondContact O-CG 3.49Å; D101-L105 PolarHBondContact O-N 2.98Å; D101-I119 HydrophobicContact CB-CD1 3.69Å
102	L	97.8	Very high	97.4	Very high	8 Å²	8	59.4 Å²	59.4	4%	0.042	33%	0.327	C	S	.	.	H	α-helix	trans	-56.9	-43	173.7	-81.6	164.8	0	0	0	111.8	P44 D98 V100 R106 H117 I119 Y142	P44-L102 HydrophobicContact CB-CD1 3.56Å; P44-L102 HydrophobicContact CG-CD1 3.66Å; D98-L102 WeakPolarHBondContact O-CB 3.41Å; D98-L102 VanDerWaalsContact O-CG 3.31Å; D98-L102 WeakPolarHBondContact O-CG 3.42Å; D98-L102 PolarHBondContact O-N 2.86Å; V100-L102 PolarHBondContact O-N 2.93Å; L102-R106 VanDerWaalsContact O-CB 3.29Å; L102-R106 WeakPolarHBondContact O-CB 3.35Å; L102-R106 PolarHBondContact O-N 3.33Å; L102-R106 VanDerWaalsContact O-N 3.14Å; L102-H117 HydrophobicContact CD2-CB 4.11Å; 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	96.2	Very high	97	Very high	35 Å²	35	61.8 Å²	61.8	36%	0.361	34%	0.34	S	S	.	.	H	α-helix	trans	-68.4	-38.4	175.3	0	0	0	0	0	112.9	V100 D101 G107	V100-G103 PolarHBondContact O-N 3.39Å; D101-G103 VanDerWaalsContact C-N 3.29Å; D101-G103 PolarHBondContact O-N 2.62Å; G103-G107 PolarHBondContact O-N 3.2Å
104	T	97.6	Very high	96.7	Very high	47 Å²	47	66.2 Å²	66.2	29%	0.288	36%	0.355	S	S	.	.	H	α-helix	trans	-66.1	-48.7	178.8	-60.1	0	0	0	0	111.7	V100 D101 G107 Y108	V100-T104 PolarHBondContact O-N 2.99Å; V100-T104 PolarHBondContact O-OG1 3.44Å; D101-T104 PolarHBondContact O-N 3.06Å; D101-T104 VanDerWaalsContact O-N 3.09Å; T104-G107 WeakPolarHBondContact O-CA 3.4Å; T104-G107 PolarHBondContact O-N 2.94Å; T104-G107 VanDerWaalsContact O-N 3.15Å; T104-Y108 HydrophobicContact CG2-CD1 4.39Å; T104-Y108 HydrophobicContact CG2-CD2 4.45Å; T104-Y108 HydrophobicContact CG2-CE1 3.77Å; T104-Y108 HydrophobicContact CG2-CE2 3.84Å; T104-Y108 VanDerWaalsContact CG2-CZ 3.45Å; T104-Y108 PolarHBondContact O-N 3.28Å
105	L	97.9	Very high	96.4	Very high	11 Å²	11	65.2 Å²	65.2	6%	0.058	36%	0.355	C	S	.	.	H	α-helix	trans	-63.4	-44.8	179.2	-68	175.1	0	0	0	111.1	D101 G107 Y108 Y109 I119 Y142 Y147	D101-L105 WeakPolarHBondContact O-CB 3.42Å; D101-L105 VanDerWaalsContact O-CG 3.3Å; D101-L105 WeakPolarHBondContact O-CG 3.49Å; D101-L105 PolarHBondContact O-N 2.98Å; L105-G107 PolarHBondContact O-N 3.21Å; L105-Y108 HydrophobicContact CD2-CD2 4.24Å; L105-Y108 PolarHBondContact O-N 2.96Å; L105-Y109 HydrophobicContact CD2-CE2 4.45Å; L105-Y109 VanDerWaalsContact O-CD2 3.24Å; L105-Y109 WeakPolarHBondContact O-CD2 3.35Å; L105-Y109 PolarHBondContact O-N 3.36Å; L105-I119 HydrophobicContact CD1-CD1 3.58Å; L105-I119 HydrophobicContact CD1-CG1 3.69Å; L105-Y142 HydrophobicContact CB-CD1 4.41Å; L105-Y142 HydrophobicContact CB-CD2 4.15Å; L105-Y142 HydrophobicContact CB-CE1 4.06Å; L105-Y142 HydrophobicContact CB-CE2 3.78Å; L105-Y142 HydrophobicContact CB-CG 4.44Å; L105-Y142 HydrophobicContact CD1-CD2 3.44Å; L105-Y142 VanDerWaalsContact CD1-CD2 3.44Å; L105-Y142 HydrophobicContact CD1-CE2 3.82Å; L105-Y142 HydrophobicContact CD1-CG 3.86Å; L105-Y142 HydrophobicContact CG-CD2 4.4Å; L105-Y142 HydrophobicContact CG-CE2 4.46Å; L105-Y147 HydrophobicContact CD2-CD2 4.31Å; L105-Y147 HydrophobicContact CD2-CE1 3.81Å; L105-Y147 HydrophobicContact CD2-CE2 3.54Å; L105-Y147 VanDerWaalsContact CD2-OH 3.26Å; L105-Y147 WeakPolarHBondContact CD2-OH 3.37Å
106	R	96.9	Very high	96.4	Very high	70 Å²	70	68 Å²	68	26%	0.264	38%	0.375	S	S	.	.	H	α-helix	trans	-52.2	-42.2	173.2	-173	-170.5	67.2	175.1	10.9	111.7	L102 N110 Q111 E113	L102-R106 VanDerWaalsContact O-CB 3.29Å; L102-R106 WeakPolarHBondContact O-CB 3.35Å; L102-R106 PolarHBondContact O-N 3.33Å; L102-R106 VanDerWaalsContact O-N 3.14Å; R106-N110 PolarHBondContact O-N 2.6Å; R106-N110 VanDerWaalsContact O-N 3.14Å; R106-Q111 HydrophobicContact CG-CB 3.8Å; R106-Q111 PolarHBondContact O-N 3.17Å; R106-E113 IonicContact CZ-OE1 3.37Å; R106-E113 IonicContact NH1-OE1 3.48Å; R106-E113 PolarHBondContact NH1-OE1 3.18Å; R106-E113 IonicContact NH2-OE1 3.25Å; R106-E113 PolarHBondContact NH2-OE1 3.37Å
107	G	97.1	Very high	96.4	Very high	44 Å²	44	63.7 Å²	63.7	45%	0.454	36%	0.355	S	S	.	.	H	α-helix	trans	-65.3	-45.7	174.8	0	0	0	0	0	113.4	G103 T104 L105 Y109 N110	G103-G107 PolarHBondContact O-N 3.2Å; T104-G107 WeakPolarHBondContact O-CA 3.4Å; T104-G107 PolarHBondContact O-N 2.94Å; T104-G107 VanDerWaalsContact O-N 3.15Å; L105-G107 PolarHBondContact O-N 3.21Å; G107-Y109 VanDerWaalsContact C-N 3.26Å; G107-Y109 PolarHBondContact O-N 3.47Å; G107-N110 PolarHBondContact O-N 2.95Å; G107-N110 VanDerWaalsContact O-N 3.16Å
108	Y	97.9	Very high	96.5	Very high	55 Å²	55	62.1 Å²	62.1	22%	0.216	35%	0.345	C	S	.	.	H	α-helix	trans	-60.6	-36.6	178.2	-67.8	-8.8	0	0	0	112.9	T104 L105 A163 I166 K170	T104-Y108 HydrophobicContact CG2-CD1 4.39Å; T104-Y108 HydrophobicContact CG2-CD2 4.45Å; T104-Y108 HydrophobicContact CG2-CE1 3.77Å; T104-Y108 HydrophobicContact CG2-CE2 3.84Å; T104-Y108 VanDerWaalsContact CG2-CZ 3.45Å; T104-Y108 PolarHBondContact O-N 3.28Å; L105-Y108 HydrophobicContact CD2-CD2 4.24Å; L105-Y108 PolarHBondContact O-N 2.96Å; Y108-A163 HydrophobicContact CD2-CB 4.5Å; Y108-I166 HydrophobicContact CD1-CD1 4.17Å; Y108-I166 HydrophobicContact CD2-CD1 4.37Å; Y108-I166 HydrophobicContact CE1-CD1 4.35Å; Y108-I166 HydrophobicContact CE1-CG2 4.16Å; Y108-I166 HydrophobicContact CE2-CB 4.07Å; Y108-I166 HydrophobicContact CE2-CG2 4.02Å; Y108-I166 HydrophobicContact CG-CD1 4.19Å; Y108-I166 WeakPolarHBondContact OH-CG2 3.4Å; Y108-K170 WeakPolarHBondContact OH-CE 3.29Å; Y108-K170 PolarHBondContact OH-NZ 3.35Å
109	Y	97.6	Very high	96.5	Very high	67 Å²	67	62.5 Å²	62.5	26%	0.263	35%	0.347	S	S	.	.	T	Hydrogen-bonded Turn	trans	-90.5	2.7	179.4	-69.4	-72.5	0	0	0	113.9	L105 G107 Q111 Y142 Y147 D161 A163	L105-Y109 HydrophobicContact CD2-CE2 4.45Å; L105-Y109 VanDerWaalsContact O-CD2 3.24Å; L105-Y109 WeakPolarHBondContact O-CD2 3.35Å; L105-Y109 PolarHBondContact O-N 3.36Å; G107-Y109 VanDerWaalsContact C-N 3.26Å; G107-Y109 PolarHBondContact O-N 3.47Å; Y109-Q111 PolarHBondContact O-N 3.3Å; Y109-Y142 AromaticContact CD2-CD1 3.72Å; Y109-Y142 HydrophobicContact CD2-CD1 3.72Å; Y109-Y142 AromaticContact CD2-CE1 3.48Å; Y109-Y142 HydrophobicContact CD2-CE1 3.48Å; Y109-Y142 VanDerWaalsContact CD2-CE1 3.48Å; Y109-Y142 AromaticContact CE2-CD1 3.48Å; Y109-Y142 HydrophobicContact CE2-CD1 3.48Å; Y109-Y142 VanDerWaalsContact CE2-CD1 3.48Å; Y109-Y142 AromaticContact CE2-CE1 3.78Å; Y109-Y142 HydrophobicContact CE2-CE1 3.78Å; Y109-Y142 HydrophobicContact CE2-CG 4.46Å; Y109-Y142 HydrophobicContact CG-CE1 4.37Å; Y109-Y147 HydrophobicContact CE2-CD2 4.4Å; Y109-Y147 HydrophobicContact CE2-CE2 4.09Å; Y109-Y147 VanDerWaalsContact OH-CD2 3.31Å; Y109-Y147 WeakPolarHBondContact OH-CD2 3.26Å; Y109-Y147 WeakPolarHBondContact OH-CE2 3.49Å; Y109-D161 VanDerWaalsContact CE1-OD2 3.22Å; Y109-D161 WeakPolarHBondContact CE1-OD2 3.5Å; Y109-D161 VanDerWaalsContact OH-CG 3.24Å; Y109-D161 PolarHBondContact OH-OD1 2.88Å; Y109-D161 PolarHBondContact OH-OD2 2.88Å; Y109-A163 HydrophobicContact CD1-CB 4.16Å; Y109-A163 HydrophobicContact CD2-CB 4.42Å; Y109-A163 HydrophobicContact CE1-CB 3.6Å; Y109-A163 HydrophobicContact CE2-CB 3.87Å; Y109-A163 VanDerWaalsContact CZ-CB 3.44Å
110	N	96.7	Very high	96.6	Very high	150 Å²	150	61.2 Å²	61.2	80%	0.802	35%	0.346	S	S	*	.	T	Hydrogen-bonded Turn	trans	52	40.7	-176.9	-56	-63	0	0	0	113.3	R106 G107	R106-N110 PolarHBondContact O-N 2.6Å; R106-N110 VanDerWaalsContact O-N 3.14Å; G107-N110 PolarHBondContact O-N 2.95Å; G107-N110 VanDerWaalsContact O-N 3.16Å
111	Q	96.7	Very high	96.6	Very high	61 Å²	61	57 Å²	57	29%	0.285	32%	0.32	S	S	.	.			trans	-87.4	153.4	-177.3	-70.9	164.6	-37.5	0	0	112	R106 Y109 H117 Y142 D143	R106-Q111 HydrophobicContact CG-CB 3.8Å; R106-Q111 PolarHBondContact O-N 3.17Å; Y109-Q111 PolarHBondContact O-N 3.3Å; Q111-H117 PolarHBondContact NE2-CE1 3.39Å; Q111-H117 PolarHBondContact OE1-CE1 3.32Å; Q111-H117 VanDerWaalsContact OE1-CE1 3.3Å; Q111-Y142 PolarHBondContact OE1-OH 2.94Å; Q111-D143 PolarHBondContact NE2-OD2 3.16Å
112	S	94.3	Very high	96.7	Very high	76 Å²	76	55.6 Å²	55.6	53%	0.531	31%	0.312	S	S	.	.			trans	-68	152.1	179.7	59	0	0	0	0	112.8	D114 G115	S112-D114 VanDerWaalsContact C-N 3.27Å; S112-D114 PolarHBondContact O-N 3.05Å; S112-G115 PolarHBondContact O-N 3.45Å
113	E	90.6	Very high	96.7	Very high	130 Å²	130	56.2 Å²	56.2	61%	0.607	31%	0.314	S	S	*	.	T	Hydrogen-bonded Turn	trans	-70.1	-23.3	177.8	-55.5	-153.3	126.3	0	0	114.2	P39 R106 G115	P39-E113 WeakPolarHBondContact CB-O 3.31Å; P39-E113 VanDerWaalsContact CG-O 3.23Å; P39-E113 WeakPolarHBondContact CG-O 3.48Å; R106-E113 IonicContact CZ-OE1 3.37Å; R106-E113 IonicContact NH1-OE1 3.48Å; R106-E113 PolarHBondContact NH1-OE1 3.18Å; R106-E113 IonicContact NH2-OE1 3.25Å; R106-E113 PolarHBondContact NH2-OE1 3.37Å; E113-G115 VanDerWaalsContact C-N 3.26Å; E113-G115 PolarHBondContact O-N 3.5Å
114	D	91.3	Very high	96.8	Very high	150 Å²	150	54.6 Å²	54.6	80%	0.802	30%	0.297	S	S	*	.	T	Hydrogen-bonded Turn	trans	-79.6	-9.1	-178.8	-58.9	-39.7	0	0	0	113.1	S112	S112-D114 VanDerWaalsContact C-N 3.27Å; S112-D114 PolarHBondContact O-N 3.05Å
115	G	92.9	Very high	96.9	Very high	19 Å²	19	52.3 Å²	52.3	20%	0.196	28%	0.283	C	S	.	.			trans	-77.3	132.9	179.9	0	0	0	0	0	112.7	P39 S112 E113 H117	P39-G115 VanDerWaalsContact CG-O 3.24Å; P39-G115 WeakPolarHBondContact CG-O 3.37Å; S112-G115 PolarHBondContact O-N 3.45Å; E113-G115 VanDerWaalsContact C-N 3.26Å; E113-G115 PolarHBondContact O-N 3.5Å; G115-H117 PolarHBondContact O-CD2 3.37Å
116	S	97.1	Very high	96.9	Very high	75 Å²	75	52.4 Å²	52.4	52%	0.524	28%	0.283	S	S	.	.			trans	-81.6	133.2	165.2	-179.3	0	0	0	0	109	S37	S37-S116 WeakPolarHBondContact O-CB 3.19Å; S37-S116 PolarHBondContact O-OG 2.94Å
117	H	98.2	Very high	96.9	Very high	13 Å²	13	49 Å²	49	6%	0.06	27%	0.271	C	S	.	.			trans	-131.7	152	-175.6	-64.6	-71.8	0	0	0	110.4	V36 S37 L102 Q111 G115 Y142 D143	V36-H117 WeakPolarHBondContact CA-O 3.37Å; S37-H117 PolarHBondContact N-O 3.37Å; S37-H117 PolarHBondContact OG-N 3.38Å; S37-H117 PolarHBondContact OG-O 2.83Å; L102-H117 HydrophobicContact CD2-CB 4.11Å; Q111-H117 PolarHBondContact NE2-CE1 3.39Å; Q111-H117 PolarHBondContact OE1-CE1 3.32Å; Q111-H117 VanDerWaalsContact OE1-CE1 3.3Å; G115-H117 PolarHBondContact O-CD2 3.37Å; H117-Y142 HydrophobicContact CB-CE2 3.88Å; H117-Y142 WeakPolarHBondContact CB-OH 3.08Å; H117-Y142 VanDerWaalsContact CG-OH 3.23Å; H117-Y142 AromaticContact ND1-CZ 3.94Å; H117-Y142 PolarHBondContact ND1-OH 3.3Å; H117-D143 WeakPolarHBondContact CA-OD1 3.49Å; H117-D143 IonicContact CE1-OD2 2.73Å; H117-D143 IonicContact CG-OD1 3.69Å; H117-D143 IonicContact CG-OD2 3.79Å; H117-D143 IonicContact ND1-OD1 2.62Å; H117-D143 IonicContact ND1-OD2 3Å; H117-D143 PolarHBondContact ND1-OD2 3.14Å
118	T	98.6	Very high	96.8	Very high	34 Å²	34	47.1 Å²	47.1	21%	0.209	25%	0.251	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-124.6	129.7	-176	-53.3	0	0	0	0	111.1	T34 S35 V36 Q120 Y142 D143	T34-T118 HydrophobicContact CG2-CG2 4.01Å; S35-T118 CarbonylContact O-C 3.59Å; S35-T118 VanDerWaalsContact O-CA 3.3Å; S35-T118 WeakPolarHBondContact O-CA 3.49Å; V36-T118 HydrophobicContact CG2-CG2 4.13Å; T118-Q120 HydrophobicContact CG2-CG 3.91Å; T118-Y142 CarbonylContact O-C 3.59Å; T118-Y142 WeakPolarHBondContact O-CA 3.42Å; T118-Y142 VanDerWaalsContact O-CD2 3.26Å; T118-Y142 WeakPolarHBondContact O-CD2 3.45Å; T118-D143 PolarHBondContact N-OD1 3.4Å; T118-D143 PolarHBondContact O-N 3.34Å
119	I	98.8	Very high	96.5	Very high	8 Å²	8	49.4 Å²	49.4	4%	0.041	27%	0.272	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-104.1	133.6	161.8	-66.7	173.8	0	0	0	108.1	T34 S35 D101 L102 L105 I121 A141 Y142	T34-I119 WeakPolarHBondContact CA-O 3.33Å; S35-I119 PolarHBondContact N-O 3.18Å; S35-I119 PolarHBondContact O-N 2.82Å; 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 3.58Å; L105-I119 HydrophobicContact CD1-CG1 3.69Å; I119-I121 HydrophobicContact CG2-CD1 4.23Å; I119-I121 HydrophobicContact CG2-CG1 4.04Å; I119-A141 WeakPolarHBondContact CA-O 2.99Å; I119-Y142 HydrophobicContact CG1-CD2 3.87Å; I119-Y142 HydrophobicContact CG1-CE2 4.3Å
120	Q	98.8	Very high	96.2	Very high	81 Å²	81	50.6 Å²	50.6	38%	0.379	28%	0.283	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-123.2	136.9	171.2	-66.1	170.8	-91.2	0	0	109.1	Y33 T34 T118 D140 A141	Y33-Q120 WeakPolarHBondContact O-CA 3.49Å; T34-Q120 HydrophobicContact CG2-CG 4.17Å; T118-Q120 HydrophobicContact CG2-CG 3.91Å; Q120-D140 CarbonylContact O-C 3.55Å; Q120-D140 WeakPolarHBondContact O-CA 3.41Å; Q120-A141 HydrophobicContact CB-CB 4.31Å; Q120-A141 PolarHBondContact N-O 2.91Å; Q120-A141 PolarHBondContact O-N 3.09Å
121	I	98.6	Very high	96	Very high	6 Å²	6	44 Å²	44	3%	0.031	25%	0.251	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-129	132.5	178.7	-63	165	0	0	0	107.9	F32 Y33 I119 Y123 Q139 D140	F32-I121 CarbonylContact C-O 3.59Å; F32-I121 WeakPolarHBondContact CA-O 3.2Å; Y33-I121 PolarHBondContact N-O 3.29Å; Y33-I121 PolarHBondContact O-N 3.43Å; I119-I121 HydrophobicContact CG2-CD1 4.23Å; I119-I121 HydrophobicContact CG2-CG1 4.04Å; I121-Y123 HydrophobicContact CG2-CD1 4.08Å; I121-Q139 CarbonylContact C-O 3.58Å; I121-Q139 WeakPolarHBondContact CA-O 3.31Å; I121-D140 HydrophobicContact CG1-CB 4.34Å
122	M	98.6	Very high	96	Very high	27 Å²	27	49.2 Å²	49.2	13%	0.133	27%	0.268	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-122.5	129.8	168	-177.5	-80.7	-67.7	0	0	109.2	Y31 F32 Y137 R138 Q139	Y31-M122 WeakPolarHBondContact O-CA 3.45Å; F32-M122 HydrophobicContact CD1-CB 3.94Å; F32-M122 HydrophobicContact CD1-CG 3.68Å; F32-M122 HydrophobicContact CE1-CB 4.08Å; F32-M122 HydrophobicContact CE1-CG 3.37Å; F32-M122 HydrophobicContact CZ-CG 4.05Å; M122-Y137 HydrophobicContact CE-CD1 4.47Å; M122-Y137 HydrophobicContact CE-CG 4.41Å; M122-R138 CarbonylContact O-C 3.6Å; M122-R138 WeakPolarHBondContact O-CA 3.43Å; M122-Q139 HydrophobicContact CE-CB 4.36Å; M122-Q139 HydrophobicContact CE-CG 4.18Å; M122-Q139 PolarHBondContact N-O 2.8Å; M122-Q139 PolarHBondContact O-N 3Å
123	Y	98.6	Very high	96.2	Very high	22 Å²	22	48.5 Å²	48.5	9%	0.086	26%	0.255	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-147	157.8	170.5	71.4	-86.4	0	0	0	111.4	Y31 Y33 I121 Y137 Y183	Y31-Y123 VanDerWaalsContact CB-CZ 3.46Å; Y31-Y123 AromaticContact CD2-CE2 3.67Å; Y31-Y123 HydrophobicContact CD2-CE2 3.67Å; Y31-Y123 AromaticContact CD2-CZ 3.75Å; Y31-Y123 HydrophobicContact CG-CE1 4.31Å; Y31-Y123 HydrophobicContact CG-CE2 4.14Å; Y31-Y123 AromaticContact CG-CZ 3.74Å; Y31-Y123 PolarHBondContact N-O 3.04Å; Y31-Y123 PolarHBondContact O-N 2.85Å; Y31-Y123 VanDerWaalsContact O-N 3.09Å; Y33-Y123 HydrophobicContact CD2-CE1 4.18Å; Y33-Y123 HydrophobicContact CE1-CE1 4.15Å; Y33-Y123 AromaticContact CE2-CE1 3.55Å; Y33-Y123 HydrophobicContact CE2-CE1 3.55Å; Y33-Y123 AromaticContact CZ-CE1 3.56Å; Y33-Y123 AromaticContact CZ-CZ 3.94Å; Y33-Y123 PolarHBondContact OH-OH 3.35Å; I121-Y123 HydrophobicContact CG2-CD1 4.08Å; Y123-Y137 CarbonylContact C-O 3.57Å; Y123-Y137 WeakPolarHBondContact CA-O 3.39Å; Y123-Y137 VanDerWaalsContact CB-O 3.27Å; Y123-Y137 WeakPolarHBondContact CB-O 3.39Å; Y123-Y183 HydrophobicContact CD2-CD1 4.5Å; Y123-Y183 AromaticContact CD2-CE1 3.74Å; Y123-Y183 HydrophobicContact CD2-CE1 3.74Å; Y123-Y183 AromaticContact CE2-CE1 3.58Å; Y123-Y183 HydrophobicContact CE2-CE1 3.58Å; Y123-Y183 AromaticContact CE2-CZ 3.88Å
124	G	98.5	Very high	96.5	Very high	0 Å²	0	47.3 Å²	47.3	0%	0	25%	0.253	C	S	.	.	E	Extended strand (participates in β ladder)	trans	161.6	-178.1	-177	0	0	0	0	0	114	M29 G136 Y137 L184	M29-G124 CarbonylContact O-C 3.53Å; M29-G124 WeakPolarHBondContact O-CA 3.23Å; G124-G136 CarbonylContact O-C 3.57Å; G124-G136 WeakPolarHBondContact O-CA 3.44Å; G124-Y137 PolarHBondContact N-O 3.23Å; G124-Y137 PolarHBondContact O-N 3.04Å; G124-L184 VanDerWaalsContact O-CD2 3.23Å; G124-L184 WeakPolarHBondContact O-CD2 3.4Å
125	C	98.6	Very high	96.7	Very high	0 Å²	0	44.3 Å²	44.3	0%	0	23%	0.23	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-134.7	151.2	-176.1	55.8	0	0	0	0	111.3	S28 M29 F133 R135 C188	S28-C125 WeakPolarHBondContact CA-O 3.27Å; M29-C125 PolarHBondContact N-O 3.31Å; M29-C125 PolarHBondContact O-N 3.17Å; C125-F133 HydrophobicContact CB-CD2 4.34Å; C125-F133 HydrophobicContact CB-CE2 4.05Å; C125-R135 CarbonylContact C-O 3.58Å; C125-R135 VanDerWaalsContact CA-O 3.31Å; C125-R135 WeakPolarHBondContact CA-O 3.36Å; C125-C188 HydrophobicContact CB-CB 3.91Å; C125-C188 WeakPolarHBondContact CB-SG 3.31Å; C125-C188 PolarHBondContact N-SG 3.46Å; C125-C188 WeakPolarHBondContact SG-CB 3.39Å; C125-C188 CovalentContact SG-SG 2.04Å; C125-C188 PolarHBondContact SG-SG 3.5Å
126	D	98.2	Very high	97	Very high	12 Å²	12	43.7 Å²	43.7	6%	0.064	22%	0.223	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-111.3	141.3	171.8	-58.9	-12.5	0	0	0	109.1	H27 S28 R30 L134 R135 Y137	H27-D126 CarbonylContact O-C 3.56Å; H27-D126 WeakPolarHBondContact O-CA 3.23Å; S28-D126 WeakPolarHBondContact CB-OD1 3.41Å; R30-D126 IonicContact CZ-OD1 3.79Å; R30-D126 IonicContact NE-OD1 3.26Å; R30-D126 PolarHBondContact NE-OD1 3.04Å; R30-D126 IonicContact NH2-OD1 3.46Å; R30-D126 PolarHBondContact NH2-OD1 2.82Å; R30-D126 IonicContact NH2-OD2 2.74Å; R30-D126 PolarHBondContact NH2-OD2 3.43Å; D126-L134 HydrophobicContact CB-CB 4.35Å; D126-L134 PolarHBondContact O-N 3.19Å; D126-R135 HydrophobicContact CB-CB 4.46Å; D126-R135 PolarHBondContact N-O 3.17Å; D126-R135 PolarHBondContact O-N 2.97Å; D126-Y137 WeakPolarHBondContact OD2-CE2 3.22Å; D126-Y137 VanDerWaalsContact OD2-CZ 3.29Å; D126-Y137 PolarHBondContact OD2-OH 3.3Å
127	V	97.6	Very high	97	Very high	0 Å²	0	41.6 Å²	41.6	0%	0	20%	0.204	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-125.6	146.9	175.1	-61.4	0	0	0	0	110.8	S26 H27 R132 V189 L192 L196	S26-V127 WeakPolarHBondContact CA-O 3.18Å; H27-V127 HydrophobicContact CB-CG2 3.99Å; H27-V127 PolarHBondContact N-O 2.83Å; H27-V127 PolarHBondContact O-N 2.86Å; V127-R132 CarbonylContact C-O 3.58Å; V127-R132 WeakPolarHBondContact CA-O 3.24Å; V127-R132 WeakPolarHBondContact CB-O 3.45Å; V127-V189 HydrophobicContact CG1-CB 4.4Å; V127-V189 HydrophobicContact CG1-CG1 3.92Å; V127-V189 HydrophobicContact CG1-CG2 4.06Å; V127-L192 HydrophobicContact CB-CD2 4.34Å; V127-L192 HydrophobicContact CG1-CD2 3.92Å; V127-L192 HydrophobicContact CG2-CD2 3.61Å; V127-L192 HydrophobicContact CG2-CG 4.16Å; V127-L196 HydrophobicContact CG2-CD1 4.44Å
128	G	95.1	Very high	97	Very high	3 Å²	3	41.9 Å²	41.9	3%	0.031	21%	0.205	C	C	.	.			trans	-77.4	179.2	175	0	0	0	0	0	112.4	D130 G131 R132	G128-D130 PolarHBondContact O-N 3.32Å; G128-D130 VanDerWaalsContact O-N 3.17Å; G128-G131 WeakPolarHBondContact O-CA 3.48Å; G128-G131 PolarHBondContact O-N 2.9Å; G128-R132 PolarHBondContact N-O 3.18Å
129	P	91.9	Very high	97	Very high	103 Å²	103	44 Å²	44	67%	0.669	21%	0.212	S	C	*	.	T	Hydrogen-bonded Turn	trans	-60.4	-24.7	177.7	-23.3	33.2	0	0	0	114.3	A24 G25 G131	A24-P129 WeakPolarHBondContact O-CG 3.49Å; G25-P129 WeakPolarHBondContact O-CA 3.3Å; P129-G131 PolarHBondContact O-N 2.91Å
130	D	91.6	Very high	97	Very high	92 Å²	92	44.5 Å²	44.5	49%	0.492	22%	0.215	S	C	.	.	T	Hydrogen-bonded Turn	trans	-84.9	6	173.7	67.5	-10	0	0	0	113.1	G128 R132	G128-D130 PolarHBondContact O-N 3.32Å; G128-D130 VanDerWaalsContact O-N 3.17Å; D130-R132 PolarHBondContact O-N 3.24Å; D130-R132 VanDerWaalsContact OD1-CB 3.31Å; D130-R132 WeakPolarHBondContact OD1-CB 3.29Å; D130-R132 WeakPolarHBondContact OD1-CG 3.34Å; D130-R132 PolarHBondContact OD1-N 3.44Å; D130-R132 WeakPolarHBondContact OD2-CD 3.19Å; D130-R132 VanDerWaalsContact OD2-CG 3.28Å; D130-R132 WeakPolarHBondContact OD2-CG 3.36Å; D130-R132 IonicContact OD2-CZ 3.44Å; D130-R132 IonicContact OD2-NE 2.8Å; D130-R132 PolarHBondContact OD2-NE 2.84Å; D130-R132 VanDerWaalsContact OD2-NE 3.16Å; D130-R132 IonicContact OD2-NH1 3.57Å
131	G	92.6	Very high	97	Very high	13 Å²	13	41.5 Å²	41.5	13%	0.134	20%	0.204	C	C	.	.	S	Bend	trans	71.8	5.2	-176.7	0	0	0	0	0	114	G128 P129 R193	G128-G131 WeakPolarHBondContact O-CA 3.48Å; G128-G131 PolarHBondContact O-N 2.9Å; P129-G131 PolarHBondContact O-N 2.91Å; G131-R193 PolarHBondContact O-NE 2.96Å; G131-R193 PolarHBondContact O-NH2 2.99Å
132	R	95.9	Very high	97	Very high	169 Å²	169	41.7 Å²	41.7	64%	0.638	21%	0.205	S	C	*	.			trans	-76.5	146.6	-179.5	-66.3	-175.2	-170.1	160.7	1	111.4	V127 G128 D130 L134	V127-R132 CarbonylContact C-O 3.58Å; V127-R132 WeakPolarHBondContact CA-O 3.24Å; V127-R132 WeakPolarHBondContact CB-O 3.45Å; G128-R132 PolarHBondContact N-O 3.18Å; D130-R132 PolarHBondContact O-N 3.24Å; D130-R132 VanDerWaalsContact OD1-CB 3.31Å; D130-R132 WeakPolarHBondContact OD1-CB 3.29Å; D130-R132 WeakPolarHBondContact OD1-CG 3.34Å; D130-R132 PolarHBondContact OD1-N 3.44Å; D130-R132 WeakPolarHBondContact OD2-CD 3.19Å; D130-R132 VanDerWaalsContact OD2-CG 3.28Å; D130-R132 WeakPolarHBondContact OD2-CG 3.36Å; D130-R132 IonicContact OD2-CZ 3.44Å; D130-R132 IonicContact OD2-NE 2.8Å; D130-R132 PolarHBondContact OD2-NE 2.84Å; D130-R132 VanDerWaalsContact OD2-NE 3.16Å; D130-R132 IonicContact OD2-NH1 3.57Å; R132-L134 PolarHBondContact O-N 3.31Å
133	F	97.7	Very high	97	Very high	61 Å²	61	43.4 Å²	43.4	27%	0.268	21%	0.214	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-55.8	128	175.5	-178.6	-102.6	0	0	0	111	C125 R135 G136 L154 L184 E185 V189	C125-F133 HydrophobicContact CB-CD2 4.34Å; C125-F133 HydrophobicContact CB-CE2 4.05Å; F133-R135 VanDerWaalsContact CE2-C 3.45Å; F133-R135 VanDerWaalsContact CE2-O 3.31Å; F133-R135 WeakPolarHBondContact CE2-O 3.5Å; F133-G136 VanDerWaalsContact CZ-N 3.26Å; F133-L154 HydrophobicContact CE1-CD1 4Å; F133-L154 HydrophobicContact CZ-CD1 3.72Å; F133-L184 WeakPolarHBondContact CE2-O 3.26Å; F133-E185 HydrophobicContact CD1-CG 4.19Å; F133-E185 HydrophobicContact CE1-CG 3.93Å; F133-E185 HydrophobicContact CE2-CG 4.43Å; F133-E185 HydrophobicContact CZ-CG 4.05Å; F133-V189 HydrophobicContact CB-CG2 4.01Å; F133-V189 HydrophobicContact CD2-CG2 3.61Å; F133-V189 HydrophobicContact CG-CG2 4.28Å
134	L	97	Very high	96.9	Very high	105 Å²	105	45.1 Å²	45.1	55%	0.55	24%	0.238	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-105.8	-50.7	173.3	-66	179.8	0	0	0	111.1	D126 R132	D126-L134 HydrophobicContact CB-CB 4.35Å; D126-L134 PolarHBondContact O-N 3.19Å; R132-L134 PolarHBondContact O-N 3.31Å
135	R	97	Very high	96.9	Very high	88 Å²	88	52.8 Å²	52.8	33%	0.332	27%	0.272	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-155.8	149.4	-171.5	-172.5	163.5	167	152.6	6.6	111.6	C125 D126 F133 Y137 E152	C125-R135 CarbonylContact C-O 3.58Å; C125-R135 VanDerWaalsContact CA-O 3.31Å; C125-R135 WeakPolarHBondContact CA-O 3.36Å; D126-R135 HydrophobicContact CB-CB 4.46Å; D126-R135 PolarHBondContact N-O 3.17Å; D126-R135 PolarHBondContact O-N 2.97Å; F133-R135 VanDerWaalsContact CE2-C 3.45Å; F133-R135 VanDerWaalsContact CE2-O 3.31Å; F133-R135 WeakPolarHBondContact CE2-O 3.5Å; R135-Y137 HydrophobicContact CB-CE2 4.17Å; R135-Y137 WeakPolarHBondContact CD-OH 3.24Å; R135-Y137 HydrophobicContact CG-CE1 4.12Å; R135-Y137 HydrophobicContact CG-CE2 3.84Å; R135-Y137 PolarHBondContact NE-OH 3.17Å; R135-E152 VanDerWaalsContact CZ-CD 3.41Å; R135-E152 IonicContact CZ-OE1 2.83Å; R135-E152 VanDerWaalsContact NH1-CD 3.25Å; R135-E152 IonicContact NH1-OE1 3.72Å; R135-E152 PolarHBondContact NH1-OE1 3.15Å; R135-E152 IonicContact NH1-OE2 2.8Å; R135-E152 VanDerWaalsContact NH2-CD 3.3Å; R135-E152 VanDerWaalsContact NH2-CG 3.29Å; R135-E152 IonicContact NH2-OE1 3.77Å; R135-E152 PolarHBondContact NH2-OE1 3.19Å
136	G	97.7	Very high	96.9	Very high	5 Å²	5	59 Å²	59	5%	0.052	31%	0.305	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-123.1	152.4	175.1	0	0	0	0	0	110.7	G124 F133	G124-G136 CarbonylContact O-C 3.57Å; G124-G136 WeakPolarHBondContact O-CA 3.44Å; F133-G136 VanDerWaalsContact CZ-N 3.26Å
137	Y	97.8	Very high	96.9	Very high	32 Å²	32	59 Å²	59	13%	0.125	30%	0.304	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-134.6	140.5	-177.9	-52.7	-96.3	0	0	0	110	R30 M122 Y123 G124 D126 R135	R30-Y137 VanDerWaalsContact NH2-CE2 3.26Å; M122-Y137 HydrophobicContact CE-CD1 4.47Å; M122-Y137 HydrophobicContact CE-CG 4.41Å; Y123-Y137 CarbonylContact C-O 3.57Å; Y123-Y137 WeakPolarHBondContact CA-O 3.39Å; Y123-Y137 VanDerWaalsContact CB-O 3.27Å; Y123-Y137 WeakPolarHBondContact CB-O 3.39Å; G124-Y137 PolarHBondContact N-O 3.23Å; G124-Y137 PolarHBondContact O-N 3.04Å; D126-Y137 WeakPolarHBondContact OD2-CE2 3.22Å; D126-Y137 VanDerWaalsContact OD2-CZ 3.29Å; D126-Y137 PolarHBondContact OD2-OH 3.3Å; R135-Y137 HydrophobicContact CB-CE2 4.17Å; R135-Y137 WeakPolarHBondContact CD-OH 3.24Å; R135-Y137 HydrophobicContact CG-CE1 4.12Å; R135-Y137 HydrophobicContact CG-CE2 3.84Å; R135-Y137 PolarHBondContact NE-OH 3.17Å
138	R	98.1	Very high	97	Very high	18 Å²	18	59.2 Å²	59.2	7%	0.068	31%	0.305	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-149.5	114.9	162.2	172.5	63.6	-171.2	-146.8	2.3	107.5	M122 D140 A149 L150 W157	M122-R138 CarbonylContact O-C 3.6Å; M122-R138 WeakPolarHBondContact O-CA 3.43Å; R138-D140 IonicContact CZ-OD1 3.15Å; R138-D140 IonicContact CZ-OD2 3.05Å; R138-D140 IonicContact NE-OD1 3.68Å; R138-D140 PolarHBondContact NE-OD1 2.8Å; R138-D140 IonicContact NE-OD2 2.69Å; R138-D140 IonicContact NH2-OD1 3.04Å; R138-D140 PolarHBondContact NH2-OD1 3.26Å; R138-D140 IonicContact NH2-OD2 3.09Å; R138-D140 PolarHBondContact NH2-OD2 2.7Å; R138-A149 WeakPolarHBondContact O-CA 3.25Å; R138-L150 HydrophobicContact CB-CB 3.89Å; R138-L150 HydrophobicContact CB-CD2 4.22Å; R138-L150 PolarHBondContact O-N 3.17Å; R138-W157 HydrophobicContact CG-CH2 4.13Å; R138-W157 HydrophobicContact CG-CZ3 4.11Å
139	Q	98.3	Very high	97.1	Very high	79 Å²	79	60.3 Å²	60.3	37%	0.369	31%	0.314	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-139.4	131.7	-176.2	-61.3	178.4	-5.9	0	0	109.2	I121 M122 A149	I121-Q139 CarbonylContact C-O 3.58Å; I121-Q139 WeakPolarHBondContact CA-O 3.31Å; M122-Q139 HydrophobicContact CE-CB 4.36Å; M122-Q139 HydrophobicContact CE-CG 4.18Å; M122-Q139 PolarHBondContact N-O 2.8Å; M122-Q139 PolarHBondContact O-N 3Å; Q139-A149 HydrophobicContact CG-CB 3.94Å
140	D	98.6	Very high	97.5	Very high	18 Å²	18	55.9 Å²	55.9	10%	0.096	29%	0.285	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-122.5	137.5	-178.2	-57.6	19.5	0	0	0	107.7	Q120 I121 R138 Y147 I148	Q120-D140 CarbonylContact O-C 3.55Å; Q120-D140 WeakPolarHBondContact O-CA 3.41Å; I121-D140 HydrophobicContact CG1-CB 4.34Å; R138-D140 IonicContact CZ-OD1 3.15Å; R138-D140 IonicContact CZ-OD2 3.05Å; R138-D140 IonicContact NE-OD1 3.68Å; R138-D140 PolarHBondContact NE-OD1 2.8Å; R138-D140 IonicContact NE-OD2 2.69Å; R138-D140 IonicContact NH2-OD1 3.04Å; R138-D140 PolarHBondContact NH2-OD1 3.26Å; R138-D140 IonicContact NH2-OD2 3.09Å; R138-D140 PolarHBondContact NH2-OD2 2.7Å; D140-Y147 WeakPolarHBondContact O-CA 3.43Å; D140-Y147 VanDerWaalsContact O-CB 3.31Å; D140-Y147 WeakPolarHBondContact O-CB 3.31Å; D140-Y147 PolarHBondContact O-N 2.97Å; D140-I148 HydrophobicContact CB-CG2 4.04Å; D140-I148 PolarHBondContact N-O 3.15Å; D140-I148 PolarHBondContact O-N 2.61Å; D140-I148 VanDerWaalsContact O-N 3.1Å
141	A	98.8	Very high	97.8	Very high	18 Å²	18	53.7 Å²	53.7	15%	0.149	27%	0.273	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-128	148.2	-179.8	0	0	0	0	0	110.5	I119 Q120 K145	I119-A141 WeakPolarHBondContact CA-O 2.99Å; Q120-A141 HydrophobicContact CB-CB 4.31Å; Q120-A141 PolarHBondContact N-O 2.91Å; Q120-A141 PolarHBondContact O-N 3.09Å; A141-K145 CarbonylContact C-O 3.51Å; A141-K145 WeakPolarHBondContact CA-O 3.29Å; A141-K145 VanDerWaalsContact CB-O 3.25Å; A141-K145 WeakPolarHBondContact CB-O 3.46Å
142	Y	98.7	Very high	98	Very high	10 Å²	10	59.5 Å²	59.5	4%	0.039	30%	0.297	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-128.2	127.9	179.1	-173.9	-119.2	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 4.41Å; L105-Y142 HydrophobicContact CB-CD2 4.15Å; L105-Y142 HydrophobicContact CB-CE1 4.06Å; L105-Y142 HydrophobicContact CB-CE2 3.78Å; L105-Y142 HydrophobicContact CB-CG 4.44Å; L105-Y142 HydrophobicContact CD1-CD2 3.44Å; L105-Y142 VanDerWaalsContact CD1-CD2 3.44Å; L105-Y142 HydrophobicContact CD1-CE2 3.82Å; L105-Y142 HydrophobicContact CD1-CG 3.86Å; L105-Y142 HydrophobicContact CG-CD2 4.4Å; L105-Y142 HydrophobicContact CG-CE2 4.46Å; Y109-Y142 AromaticContact CD2-CD1 3.72Å; Y109-Y142 HydrophobicContact CD2-CD1 3.72Å; Y109-Y142 AromaticContact CD2-CE1 3.48Å; Y109-Y142 HydrophobicContact CD2-CE1 3.48Å; Y109-Y142 VanDerWaalsContact CD2-CE1 3.48Å; Y109-Y142 AromaticContact CE2-CD1 3.48Å; Y109-Y142 HydrophobicContact CE2-CD1 3.48Å; Y109-Y142 VanDerWaalsContact CE2-CD1 3.48Å; Y109-Y142 AromaticContact CE2-CE1 3.78Å; Y109-Y142 HydrophobicContact CE2-CE1 3.78Å; Y109-Y142 HydrophobicContact CE2-CG 4.46Å; Y109-Y142 HydrophobicContact CG-CE1 4.37Å; Q111-Y142 PolarHBondContact OE1-OH 2.94Å; H117-Y142 HydrophobicContact CB-CE2 3.88Å; H117-Y142 WeakPolarHBondContact CB-OH 3.08Å; H117-Y142 VanDerWaalsContact CG-OH 3.23Å; H117-Y142 AromaticContact ND1-CZ 3.94Å; H117-Y142 PolarHBondContact ND1-OH 3.3Å; T118-Y142 CarbonylContact O-C 3.59Å; T118-Y142 WeakPolarHBondContact O-CA 3.42Å; T118-Y142 VanDerWaalsContact O-CD2 3.26Å; T118-Y142 WeakPolarHBondContact O-CD2 3.45Å; I119-Y142 HydrophobicContact CG1-CD2 3.87Å; I119-Y142 HydrophobicContact CG1-CE2 4.3Å; Y142-G144 PolarHBondContact O-N 3.34Å; Y142-K145 PolarHBondContact N-O 3.08Å; Y142-K145 PolarHBondContact O-N 2.71Å
143	D	98.1	Very high	98	Very high	64 Å²	64	55.1 Å²	55.1	34%	0.342	29%	0.286	S	S	.	.	T	Hydrogen-bonded Turn	trans	49.6	39.9	-175.8	-67.3	-20.4	0	0	0	113.3	Q111 H117 T118 K145	Q111-D143 PolarHBondContact NE2-OD2 3.16Å; H117-D143 WeakPolarHBondContact CA-OD1 3.49Å; H117-D143 IonicContact CE1-OD2 2.73Å; H117-D143 IonicContact CG-OD1 3.69Å; H117-D143 IonicContact CG-OD2 3.79Å; H117-D143 IonicContact ND1-OD1 2.62Å; H117-D143 IonicContact ND1-OD2 3Å; H117-D143 PolarHBondContact ND1-OD2 3.14Å; T118-D143 PolarHBondContact N-OD1 3.4Å; T118-D143 PolarHBondContact O-N 3.34Å; D143-K145 VanDerWaalsContact C-N 3.3Å; D143-K145 PolarHBondContact O-N 3.48Å
144	G	97.1	Very high	98.1	Very high	57 Å²	57	52.4 Å²	52.4	59%	0.588	27%	0.274	S	S	*	.	T	Hydrogen-bonded Turn	trans	76.8	9.2	178	0	0	0	0	0	115.1	Y142	Y142-G144 PolarHBondContact O-N 3.34Å
145	K	98.3	Very high	98.1	Very high	161 Å²	161	55.2 Å²	55.2	70%	0.7	28%	0.278	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-115.5	144.8	176.1	-62.1	179.4	-176.5	175.6	0	110.7	A141 Y142 D143 Y147	A141-K145 CarbonylContact C-O 3.51Å; A141-K145 WeakPolarHBondContact CA-O 3.29Å; A141-K145 VanDerWaalsContact CB-O 3.25Å; A141-K145 WeakPolarHBondContact CB-O 3.46Å; Y142-K145 PolarHBondContact N-O 3.08Å; Y142-K145 PolarHBondContact O-N 2.71Å; D143-K145 VanDerWaalsContact C-N 3.3Å; D143-K145 PolarHBondContact O-N 3.48Å; K145-Y147 PolarHBondContact O-N 2.97Å
146	D	98.6	Very high	98.1	Very high	131 Å²	131	52.8 Å²	52.8	70%	0.701	27%	0.274	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-52.6	134	173.6	-65.1	-24.9	0	0	0	110.4	A160	D146-A160 HydrophobicContact CB-CB 4.35Å; D146-A160 WeakPolarHBondContact O-CB 3.24Å
147	Y	98.7	Very high	98.1	Very high	11 Å²	11	52.7 Å²	52.7	4%	0.043	27%	0.272	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-113.8	-62.9	179.3	179.4	-107.8	0	0	0	110.5	L105 Y109 D140 K145 A160 A163 A164 T167	L105-Y147 HydrophobicContact CD2-CD2 4.31Å; L105-Y147 HydrophobicContact CD2-CE1 3.81Å; L105-Y147 HydrophobicContact CD2-CE2 3.54Å; L105-Y147 VanDerWaalsContact CD2-OH 3.26Å; L105-Y147 WeakPolarHBondContact CD2-OH 3.37Å; Y109-Y147 HydrophobicContact CE2-CD2 4.4Å; Y109-Y147 HydrophobicContact CE2-CE2 4.09Å; Y109-Y147 VanDerWaalsContact OH-CD2 3.31Å; Y109-Y147 WeakPolarHBondContact OH-CD2 3.26Å; Y109-Y147 WeakPolarHBondContact OH-CE2 3.49Å; D140-Y147 WeakPolarHBondContact O-CA 3.43Å; D140-Y147 VanDerWaalsContact O-CB 3.31Å; D140-Y147 WeakPolarHBondContact O-CB 3.31Å; D140-Y147 PolarHBondContact O-N 2.97Å; K145-Y147 PolarHBondContact O-N 2.97Å; Y147-A160 WeakPolarHBondContact O-CB 3.13Å; Y147-A160 PolarHBondContact O-N 2.89Å; Y147-A163 HydrophobicContact CE2-CB 4.43Å; Y147-A163 PolarHBondContact OH-O 2.84Å; Y147-A164 HydrophobicContact CD2-CB 3.78Å; Y147-A164 HydrophobicContact CE1-CB 4.41Å; Y147-A164 VanDerWaalsContact CE2-CA 3.48Å; Y147-A164 HydrophobicContact CE2-CB 3.63Å; Y147-A164 HydrophobicContact CG-CB 4.23Å; Y147-A164 WeakPolarHBondContact O-CB 3.36Å; Y147-T167 HydrophobicContact CE1-CG2 4.21Å; Y147-T167 PolarHBondContact OH-OG1 3.01Å
148	I	98.7	Very high	98.2	Very high	5 Å²	5	54.7 Å²	54.7	3%	0.026	29%	0.288	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-147.4	141.8	178.5	-162.2	172.3	0	0	0	111.1	D140 W157 T158 T167 K168 W171	D140-I148 HydrophobicContact CB-CG2 4.04Å; D140-I148 PolarHBondContact N-O 3.15Å; D140-I148 PolarHBondContact O-N 2.61Å; D140-I148 VanDerWaalsContact O-N 3.1Å; I148-W157 HydrophobicContact CD1-CB 4.19Å; I148-W157 HydrophobicContact CD1-CD2 4.49Å; I148-W157 HydrophobicContact CD1-CE3 4.3Å; I148-W157 HydrophobicContact CD1-CG 4.47Å; I148-W157 HydrophobicContact CG1-CB 4.29Å; I148-W157 HydrophobicContact CG1-CE3 4.13Å; I148-T158 CarbonylContact C-O 3.52Å; I148-T158 WeakPolarHBondContact CA-O 3.43Å; I148-T158 WeakPolarHBondContact CG1-O 3.34Å; I148-T167 HydrophobicContact CD1-CG2 4.03Å; I148-K168 HydrophobicContact CD1-CB 3.93Å; I148-W171 HydrophobicContact CD1-CE3 4.01Å; I148-W171 HydrophobicContact CD1-CZ3 4.28Å; I148-W171 HydrophobicContact CG2-CH2 4.09Å; I148-W171 HydrophobicContact CG2-CZ3 3.78Å
149	A	98.7	Very high	98.2	Very high	26 Å²	26	54.6 Å²	54.6	22%	0.215	29%	0.291	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-133.9	138.2	-179.6	0	0	0	0	0	111.6	R138 Q139 W157 T158	R138-A149 WeakPolarHBondContact O-CA 3.25Å; Q139-A149 HydrophobicContact CG-CB 3.94Å; A149-W157 CarbonylContact O-C 3.54Å; A149-W157 WeakPolarHBondContact O-CA 3.44Å; A149-T158 PolarHBondContact N-O 2.75Å; A149-T158 PolarHBondContact O-N 3.5Å
150	L	98.7	Very high	98.2	Very high	11 Å²	11	53.8 Å²	53.8	6%	0.058	30%	0.297	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-73	127.7	167.7	-174.5	64.7	0	0	0	108.4	R138 L154 W157 A177 Q180 L184	R138-L150 HydrophobicContact CB-CB 3.89Å; R138-L150 HydrophobicContact CB-CD2 4.22Å; R138-L150 PolarHBondContact O-N 3.17Å; L150-L154 HydrophobicContact CD2-CB 4.42Å; L150-L154 HydrophobicContact CD2-CD2 3.76Å; L150-L154 HydrophobicContact CG-CD2 4.26Å; L150-W157 HydrophobicContact CB-CE3 3.93Å; L150-W157 HydrophobicContact CB-CH2 4.02Å; L150-W157 HydrophobicContact CB-CZ3 3.58Å; L150-W157 HydrophobicContact CD1-CD2 4.08Å; L150-W157 HydrophobicContact CD1-CE3 4.21Å; L150-W157 HydrophobicContact CD1-CH2 4Å; L150-W157 HydrophobicContact CD1-CZ2 3.86Å; L150-W157 HydrophobicContact CD1-CZ3 4.16Å; L150-W157 HydrophobicContact CG-CH2 4.46Å; L150-W157 HydrophobicContact CG-CZ3 4.42Å; L150-A177 HydrophobicContact CD1-CB 4.18Å; L150-Q180 HydrophobicContact CD2-CB 3.98Å; L150-L184 HydrophobicContact CD2-CD1 3.93Å
151	N	98.4	Very high	98.2	Very high	46 Å²	46	55.7 Å²	55.7	25%	0.246	31%	0.308	C	S	.	.			trans	-71.9	163.3	179.6	-68.4	-28.6	0	0	0	111.2	D153 L154 S156 T158	N151-D153 PolarHBondContact O-N 2.85Å; N151-D153 VanDerWaalsContact O-N 3.07Å; N151-L154 PolarHBondContact O-N 3.37Å; N151-S156 WeakPolarHBondContact CB-O 3.47Å; N151-S156 WeakPolarHBondContact CB-OG 3.31Å; N151-S156 PolarHBondContact N-O 2.96Å; N151-S156 PolarHBondContact ND2-O 2.92Å; N151-S156 PolarHBondContact ND2-OG 2.89Å; N151-T158 PolarHBondContact ND2-OG1 2.74Å; N151-T158 WeakPolarHBondContact OD1-CB 3.43Å; N151-T158 PolarHBondContact OD1-OG1 3.49Å
152	E	97	Very high	98.1	Very high	134 Å²	134	61.8 Å²	61.8	63%	0.626	34%	0.335	S	S	*	.	T	Hydrogen-bonded Turn	trans	-58.9	-22.6	-179.7	-64.7	-178.1	-172.3	0	0	113.5	R135 L154	R135-E152 VanDerWaalsContact CZ-CD 3.41Å; R135-E152 IonicContact CZ-OE1 2.83Å; R135-E152 VanDerWaalsContact NH1-CD 3.25Å; R135-E152 IonicContact NH1-OE1 3.72Å; R135-E152 PolarHBondContact NH1-OE1 3.15Å; R135-E152 IonicContact NH1-OE2 2.8Å; R135-E152 VanDerWaalsContact NH2-CD 3.3Å; R135-E152 VanDerWaalsContact NH2-CG 3.29Å; R135-E152 IonicContact NH2-OE1 3.77Å; R135-E152 PolarHBondContact NH2-OE1 3.19Å; E152-L154 PolarHBondContact O-N 3.19Å
153	D	97.1	Very high	98.1	Very high	77 Å²	77	61.9 Å²	61.9	41%	0.412	34%	0.337	S	S	.	.	T	Hydrogen-bonded Turn	trans	-71.8	-9.2	174.7	69.2	6.2	0	0	0	114	N151 R155 S156	N151-D153 PolarHBondContact O-N 2.85Å; N151-D153 VanDerWaalsContact O-N 3.07Å; D153-R155 WeakPolarHBondContact O-CG 3.19Å; D153-R155 PolarHBondContact O-N 3.14Å; D153-R155 VanDerWaalsContact O-N 3.15Å; D153-R155 PolarHBondContact OD1-N 2.85Å; D153-S156 VanDerWaalsContact CG-OG 3.27Å; D153-S156 PolarHBondContact OD1-N 2.79Å; D153-S156 PolarHBondContact OD1-OG 2.87Å; D153-S156 VanDerWaalsContact OD1-OG 3.13Å; D153-S156 WeakPolarHBondContact OD2-CB 3.28Å; D153-S156 PolarHBondContact OD2-OG 3.23Å
154	L	97.8	Very high	98.1	Very high	5 Å²	5	58.8 Å²	58.8	3%	0.026	32%	0.321	C	S	.	.	S	Bend	trans	53.7	26	-175.4	-51.4	177.9	0	0	0	114	F133 L150 N151 E152 R181 L184 E185	F133-L154 HydrophobicContact CE1-CD1 4Å; F133-L154 HydrophobicContact CZ-CD1 3.72Å; L150-L154 HydrophobicContact CD2-CB 4.42Å; L150-L154 HydrophobicContact CD2-CD2 3.76Å; L150-L154 HydrophobicContact CG-CD2 4.26Å; N151-L154 PolarHBondContact O-N 3.37Å; E152-L154 PolarHBondContact O-N 3.19Å; L154-R181 HydrophobicContact CB-CB 4.04Å; L154-R181 HydrophobicContact CB-CG 3.87Å; L154-R181 HydrophobicContact CD1-CG 4.09Å; L154-L184 HydrophobicContact CD2-CD1 4.09Å; L154-E185 HydrophobicContact CD1-CG 3.97Å
155	R	97.2	Very high	98.1	Very high	164 Å²	164	58.8 Å²	58.8	62%	0.619	31%	0.306	S	S	*	.	S	Bend	trans	-131.1	-30.7	-174.6	-71.5	169.8	-176.2	-100	9.2	112.4	D153 A177	D153-R155 WeakPolarHBondContact O-CG 3.19Å; D153-R155 PolarHBondContact O-N 3.14Å; D153-R155 VanDerWaalsContact O-N 3.15Å; D153-R155 PolarHBondContact OD1-N 2.85Å; R155-A177 WeakPolarHBondContact O-CB 3.35Å
156	S	97.4	Very high	98.1	Very high	36 Å²	36	54 Å²	54	25%	0.252	29%	0.287	S	S	.	.			trans	-118.2	159	-176.5	65.1	0	0	0	0	112.2	N151 D153	N151-S156 WeakPolarHBondContact CB-O 3.47Å; N151-S156 WeakPolarHBondContact CB-OG 3.31Å; N151-S156 PolarHBondContact N-O 2.96Å; N151-S156 PolarHBondContact ND2-O 2.92Å; N151-S156 PolarHBondContact ND2-OG 2.89Å; D153-S156 VanDerWaalsContact CG-OG 3.27Å; D153-S156 PolarHBondContact OD1-N 2.79Å; D153-S156 PolarHBondContact OD1-OG 2.87Å; D153-S156 VanDerWaalsContact OD1-OG 3.13Å; D153-S156 WeakPolarHBondContact OD2-CB 3.28Å; D153-S156 PolarHBondContact OD2-OG 3.23Å
157	W	98.6	Very high	98.1	Very high	3 Å²	3	48.5 Å²	48.5	1%	0.011	26%	0.259	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-117.5	140.2	-177.9	-60	92.8	0	0	0	111.7	R138 I148 A149 L150 K168 W171 A176 A177 Q180	R138-W157 HydrophobicContact CG-CH2 4.13Å; R138-W157 HydrophobicContact CG-CZ3 4.11Å; I148-W157 HydrophobicContact CD1-CB 4.19Å; I148-W157 HydrophobicContact CD1-CD2 4.49Å; I148-W157 HydrophobicContact CD1-CE3 4.3Å; I148-W157 HydrophobicContact CD1-CG 4.47Å; I148-W157 HydrophobicContact CG1-CB 4.29Å; I148-W157 HydrophobicContact CG1-CE3 4.13Å; A149-W157 CarbonylContact O-C 3.54Å; A149-W157 WeakPolarHBondContact O-CA 3.44Å; L150-W157 HydrophobicContact CB-CE3 3.93Å; L150-W157 HydrophobicContact CB-CH2 4.02Å; L150-W157 HydrophobicContact CB-CZ3 3.58Å; L150-W157 HydrophobicContact CD1-CD2 4.08Å; L150-W157 HydrophobicContact CD1-CE3 4.21Å; L150-W157 HydrophobicContact CD1-CH2 4Å; L150-W157 HydrophobicContact CD1-CZ2 3.86Å; L150-W157 HydrophobicContact CD1-CZ3 4.16Å; L150-W157 HydrophobicContact CG-CH2 4.46Å; L150-W157 HydrophobicContact CG-CZ3 4.42Å; W157-K168 HydrophobicContact CB-CD 4.35Å; W157-K168 HydrophobicContact CB-CG 4.18Å; W157-K168 VanDerWaalsContact O-CE 3.25Å; W157-K168 WeakPolarHBondContact O-CE 3.41Å; W157-K168 PolarHBondContact O-NZ 3.48Å; W157-W171 AromaticContact CD2-CE3 3.82Å; W157-W171 HydrophobicContact CD2-CE3 3.82Å; W157-W171 HydrophobicContact CD2-CZ3 4.35Å; W157-W171 AromaticContact CE2-CE3 3.69Å; W157-W171 AromaticContact CE3-CE3 3.73Å; W157-W171 HydrophobicContact CE3-CE3 3.73Å; W157-W171 AromaticContact CE3-CZ3 3.78Å; W157-W171 HydrophobicContact CE3-CZ3 3.78Å; W157-W171 AromaticContact CH2-CE3 3.44Å; W157-W171 HydrophobicContact CH2-CE3 3.44Å; W157-W171 VanDerWaalsContact CH2-CE3 3.44Å; W157-W171 HydrophobicContact CH2-CH2 4.48Å; W157-W171 AromaticContact CH2-CZ3 3.38Å; W157-W171 HydrophobicContact CH2-CZ3 3.38Å; W157-W171 HydrophobicContact CZ2-CD2 4.43Å; W157-W171 AromaticContact CZ2-CE3 3.51Å; W157-W171 HydrophobicContact CZ2-CE3 3.51Å; W157-W171 AromaticContact CZ2-CZ3 3.98Å; W157-W171 HydrophobicContact CZ2-CZ3 3.98Å; W157-W171 AromaticContact CZ3-CE3 3.56Å; W157-W171 HydrophobicContact CZ3-CE3 3.56Å; W157-W171 HydrophobicContact CZ3-CH2 4.48Å; W157-W171 AromaticContact CZ3-CZ3 3.27Å; W157-W171 HydrophobicContact CZ3-CZ3 3.27Å; W157-A176 HydrophobicContact CZ2-CB 4.33Å; W157-A177 HydrophobicContact CZ2-CB 4.35Å; W157-Q180 HydrophobicContact CH2-CG 4.21Å; W157-Q180 HydrophobicContact CZ2-CG 4.48Å
158	T	98.6	Very high	98.1	Very high	75 Å²	75	50.2 Å²	50.2	46%	0.46	27%	0.266	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-102.9	124.1	167.8	-66.8	0	0	0	0	109.1	I148 A149 N151	I148-T158 CarbonylContact C-O 3.52Å; I148-T158 WeakPolarHBondContact CA-O 3.43Å; I148-T158 WeakPolarHBondContact CG1-O 3.34Å; A149-T158 PolarHBondContact N-O 2.75Å; A149-T158 PolarHBondContact O-N 3.5Å; N151-T158 PolarHBondContact ND2-OG1 2.74Å; N151-T158 WeakPolarHBondContact OD1-CB 3.43Å; N151-T158 PolarHBondContact OD1-OG1 3.49Å
159	A	98.6	Very high	98.1	Very high	15 Å²	15	56.8 Å²	56.8	12%	0.124	29%	0.291	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-106.9	133.1	178.3	0	0	0	0	0	109.3	A164 Q165 K168	A159-A164 HydrophobicContact CB-CB 3.69Å; A159-Q165 HydrophobicContact CB-CG 4.26Å; A159-K168 HydrophobicContact CB-CB 4.24Å; A159-K168 HydrophobicContact CB-CD 4.17Å
160	A	98.3	Very high	98	Very high	62 Å²	62	61.3 Å²	61.3	51%	0.512	31%	0.305	S	S	.	.	S	Bend	trans	-75.6	-32.4	-173.9	0	0	0	0	0	113.4	D146 Y147	D146-A160 HydrophobicContact CB-CB 4.35Å; D146-A160 WeakPolarHBondContact O-CB 3.24Å; Y147-A160 WeakPolarHBondContact O-CB 3.13Å; Y147-A160 PolarHBondContact O-N 2.89Å
161	D	97.9	Very high	98	Very high	59 Å²	59	63.8 Å²	63.8	32%	0.316	31%	0.314	S	S	.	.	S	Bend	trans	-148.5	-176	-177.6	68.7	26.9	0	0	0	113.3	Y109 A163 A164 Q165	Y109-D161 VanDerWaalsContact CE1-OD2 3.22Å; Y109-D161 WeakPolarHBondContact CE1-OD2 3.5Å; Y109-D161 VanDerWaalsContact OH-CG 3.24Å; Y109-D161 PolarHBondContact OH-OD1 2.88Å; Y109-D161 PolarHBondContact OH-OD2 2.88Å; D161-A163 VanDerWaalsContact C-N 3.3Å; D161-A163 PolarHBondContact O-N 2.61Å; D161-A163 WeakPolarHBondContact OD1-CA 3.48Å; D161-A163 WeakPolarHBondContact OD1-CB 3.33Å; D161-A163 PolarHBondContact OD1-N 2.87Å; D161-A164 PolarHBondContact O-N 2.86Å; D161-A164 PolarHBondContact OD1-N 2.96Å; D161-Q165 WeakPolarHBondContact O-CG 3.33Å; D161-Q165 PolarHBondContact O-N 3.27Å
162	M	97.8	Very high	98	Very high	146 Å²	146	66.6 Å²	66.6	72%	0.719	33%	0.326	S	S	*	.	T	Hydrogen-bonded Turn	trans	-64.9	-28.9	-178.3	-69.2	-59.1	-64.2	0	0	114.1
163	A	97.7	Very high	98	Very high	11 Å²	11	64.8 Å²	64.8	9%	0.091	33%	0.333	C	S	.	.	T	Hydrogen-bonded Turn	trans	-72.9	-45	175	0	0	0	0	0	110	Y108 Y109 Y147 D161 Q165 I166	Y108-A163 HydrophobicContact CD2-CB 4.5Å; Y109-A163 HydrophobicContact CD1-CB 4.16Å; Y109-A163 HydrophobicContact CD2-CB 4.42Å; Y109-A163 HydrophobicContact CE1-CB 3.6Å; Y109-A163 HydrophobicContact CE2-CB 3.87Å; Y109-A163 VanDerWaalsContact CZ-CB 3.44Å; Y147-A163 HydrophobicContact CE2-CB 4.43Å; Y147-A163 PolarHBondContact OH-O 2.84Å; D161-A163 VanDerWaalsContact C-N 3.3Å; D161-A163 PolarHBondContact O-N 2.61Å; D161-A163 WeakPolarHBondContact OD1-CA 3.48Å; D161-A163 WeakPolarHBondContact OD1-CB 3.33Å; D161-A163 PolarHBondContact OD1-N 2.87Å; A163-Q165 PolarHBondContact O-N 3.43Å; A163-I166 VanDerWaalsContact O-CB 3.23Å; A163-I166 WeakPolarHBondContact O-CB 3.48Å; A163-I166 PolarHBondContact O-N 2.9Å
164	A	98.3	Very high	97.9	Very high	0 Å²	0	63.4 Å²	63.4	0%	0	33%	0.333	C	S	.	.	H	α-helix	trans	-59.8	-31.2	174.3	0	0	0	0	0	113.3	Y147 A159 D161 I166 T167 K168	Y147-A164 HydrophobicContact CD2-CB 3.78Å; Y147-A164 HydrophobicContact CE1-CB 4.41Å; Y147-A164 VanDerWaalsContact CE2-CA 3.48Å; Y147-A164 HydrophobicContact CE2-CB 3.63Å; Y147-A164 HydrophobicContact CG-CB 4.23Å; Y147-A164 WeakPolarHBondContact O-CB 3.36Å; A159-A164 HydrophobicContact CB-CB 3.69Å; D161-A164 PolarHBondContact O-N 2.86Å; D161-A164 PolarHBondContact OD1-N 2.96Å; A164-I166 PolarHBondContact O-N 2.88Å; A164-T167 PolarHBondContact O-N 2.84Å; A164-T167 VanDerWaalsContact O-N 3.14Å; A164-K168 PolarHBondContact O-N 2.93Å
165	Q	98.5	Very high	97.8	Very high	57 Å²	57	66.4 Å²	66.4	27%	0.266	35%	0.353	S	S	.	.	H	α-helix	trans	-59.6	-29	172.5	-68.6	-68.9	-18.6	0	0	112.6	A159 D161 A163 R169	A159-Q165 HydrophobicContact CB-CG 4.26Å; D161-Q165 WeakPolarHBondContact O-CG 3.33Å; D161-Q165 PolarHBondContact O-N 3.27Å; A163-Q165 PolarHBondContact O-N 3.43Å; Q165-R169 WeakPolarHBondContact O-CG 3.44Å; Q165-R169 PolarHBondContact O-N 3.44Å; Q165-R169 VanDerWaalsContact O-N 3.13Å
166	I	98.2	Very high	97.8	Very high	59 Å²	59	59.3 Å²	59.3	30%	0.303	33%	0.329	S	S	.	.	H	α-helix	trans	-67.4	-47.9	175.3	-55.2	171.8	0	0	0	109.7	Y108 A163 A164 R169 K170	Y108-I166 HydrophobicContact CD1-CD1 4.17Å; Y108-I166 HydrophobicContact CD2-CD1 4.37Å; Y108-I166 HydrophobicContact CE1-CD1 4.35Å; Y108-I166 HydrophobicContact CE1-CG2 4.16Å; Y108-I166 HydrophobicContact CE2-CB 4.07Å; Y108-I166 HydrophobicContact CE2-CG2 4.02Å; Y108-I166 HydrophobicContact CG-CD1 4.19Å; Y108-I166 WeakPolarHBondContact OH-CG2 3.4Å; A163-I166 VanDerWaalsContact O-CB 3.23Å; A163-I166 WeakPolarHBondContact O-CB 3.48Å; A163-I166 PolarHBondContact O-N 2.9Å; A164-I166 PolarHBondContact O-N 2.88Å; I166-R169 PolarHBondContact O-N 2.82Å; I166-K170 PolarHBondContact O-N 2.99Å
167	T	98.1	Very high	97.8	Very high	17 Å²	17	58 Å²	58	10%	0.104	32%	0.321	C	S	.	.	H	α-helix	trans	-61.6	-45.4	175.4	-67.6	0	0	0	0	111.3	Y147 I148 A164 R169 K170 W171	Y147-T167 HydrophobicContact CE1-CG2 4.21Å; Y147-T167 PolarHBondContact OH-OG1 3.01Å; I148-T167 HydrophobicContact CD1-CG2 4.03Å; A164-T167 PolarHBondContact O-N 2.84Å; A164-T167 VanDerWaalsContact O-N 3.14Å; T167-R169 PolarHBondContact O-N 2.92Å; T167-K170 WeakPolarHBondContact O-CB 3.47Å; T167-K170 PolarHBondContact O-N 3.1Å; T167-K170 VanDerWaalsContact O-N 3.07Å; T167-W171 HydrophobicContact CG2-CD2 3.82Å; T167-W171 HydrophobicContact CG2-CE3 4.32Å; T167-W171 HydrophobicContact CG2-CG 4.15Å; T167-W171 HydrophobicContact CG2-CH2 4.49Å; T167-W171 HydrophobicContact CG2-CZ2 4.01Å; T167-W171 PolarHBondContact O-N 2.99Å
168	K	98.5	Very high	97.7	Very high	46 Å²	46	64.7 Å²	64.7	20%	0.2	35%	0.352	C	S	.	.	H	α-helix	trans	-51.8	-51.5	176.9	175	171.2	176.3	170.6	0	112	I148 W157 A159 A164 K170 W171 E172	I148-K168 HydrophobicContact CD1-CB 3.93Å; W157-K168 HydrophobicContact CB-CD 4.35Å; W157-K168 HydrophobicContact CB-CG 4.18Å; W157-K168 VanDerWaalsContact O-CE 3.25Å; W157-K168 WeakPolarHBondContact O-CE 3.41Å; W157-K168 PolarHBondContact O-NZ 3.48Å; A159-K168 HydrophobicContact CB-CB 4.24Å; A159-K168 HydrophobicContact CB-CD 4.17Å; A164-K168 PolarHBondContact O-N 2.93Å; K168-K170 VanDerWaalsContact C-N 3.32Å; K168-K170 PolarHBondContact O-N 2.84Å; K168-W171 PolarHBondContact O-N 3.12Å; K168-W171 VanDerWaalsContact O-N 3.17Å; K168-E172 WeakPolarHBondContact CE-OE1 3.46Å; K168-E172 HydrophobicContact CG-CG 4.3Å; K168-E172 IonicContact NZ-OE1 3.76Å; K168-E172 WeakPolarHBondContact O-CB 3.32Å; K168-E172 WeakPolarHBondContact O-CG 3.3Å; K168-E172 PolarHBondContact O-N 3.26Å
169	R	98.4	Very high	97.7	Very high	144 Å²	144	67.3 Å²	67.3	54%	0.543	36%	0.359	S	S	.	.	H	α-helix	trans	-60	-39.6	178.6	-69.2	175.6	-161.7	126.2	2.8	112.7	Q165 I166 T167 A173	Q165-R169 WeakPolarHBondContact O-CG 3.44Å; Q165-R169 PolarHBondContact O-N 3.44Å; Q165-R169 VanDerWaalsContact O-N 3.13Å; I166-R169 PolarHBondContact O-N 2.82Å; T167-R169 PolarHBondContact O-N 2.92Å; R169-A173 WeakPolarHBondContact O-CB 3.35Å; R169-A173 PolarHBondContact O-N 3.27Å
170	K	97.7	Very high	97.6	Very high	121 Å²	121	68.9 Å²	68.9	53%	0.526	36%	0.364	S	S	.	.	H	α-helix	trans	-65.2	-42.5	176.5	-69.1	-176.2	-175.2	-174.9	0	111.5	Y108 I166 T167 K168 A173 A174	Y108-K170 WeakPolarHBondContact OH-CE 3.29Å; Y108-K170 PolarHBondContact OH-NZ 3.35Å; I166-K170 PolarHBondContact O-N 2.99Å; T167-K170 WeakPolarHBondContact O-CB 3.47Å; T167-K170 PolarHBondContact O-N 3.1Å; T167-K170 VanDerWaalsContact O-N 3.07Å; K168-K170 VanDerWaalsContact C-N 3.32Å; K168-K170 PolarHBondContact O-N 2.84Å; K170-A173 PolarHBondContact O-N 3.14Å; K170-A174 WeakPolarHBondContact O-CB 3.48Å; K170-A174 PolarHBondContact O-N 3.26Å
171	W	97.6	Very high	97.6	Very high	63 Å²	63	69.4 Å²	69.4	24%	0.239	35%	0.353	C	S	.	.	H	α-helix	trans	-74.3	-27.7	-179.3	-75.1	9.6	0	0	0	113.3	I148 W157 T167 K168 A174 A176	I148-W171 HydrophobicContact CD1-CE3 4.01Å; I148-W171 HydrophobicContact CD1-CZ3 4.28Å; I148-W171 HydrophobicContact CG2-CH2 4.09Å; I148-W171 HydrophobicContact CG2-CZ3 3.78Å; W157-W171 AromaticContact CD2-CE3 3.82Å; W157-W171 HydrophobicContact CD2-CE3 3.82Å; W157-W171 HydrophobicContact CD2-CZ3 4.35Å; W157-W171 AromaticContact CE2-CE3 3.69Å; W157-W171 AromaticContact CE3-CE3 3.73Å; W157-W171 HydrophobicContact CE3-CE3 3.73Å; W157-W171 AromaticContact CE3-CZ3 3.78Å; W157-W171 HydrophobicContact CE3-CZ3 3.78Å; W157-W171 AromaticContact CH2-CE3 3.44Å; W157-W171 HydrophobicContact CH2-CE3 3.44Å; W157-W171 VanDerWaalsContact CH2-CE3 3.44Å; W157-W171 HydrophobicContact CH2-CH2 4.48Å; W157-W171 AromaticContact CH2-CZ3 3.38Å; W157-W171 HydrophobicContact CH2-CZ3 3.38Å; W157-W171 HydrophobicContact CZ2-CD2 4.43Å; W157-W171 AromaticContact CZ2-CE3 3.51Å; W157-W171 HydrophobicContact CZ2-CE3 3.51Å; W157-W171 AromaticContact CZ2-CZ3 3.98Å; W157-W171 HydrophobicContact CZ2-CZ3 3.98Å; W157-W171 AromaticContact CZ3-CE3 3.56Å; W157-W171 HydrophobicContact CZ3-CE3 3.56Å; W157-W171 HydrophobicContact CZ3-CH2 4.48Å; W157-W171 AromaticContact CZ3-CZ3 3.27Å; W157-W171 HydrophobicContact CZ3-CZ3 3.27Å; T167-W171 HydrophobicContact CG2-CD2 3.82Å; T167-W171 HydrophobicContact CG2-CE3 4.32Å; T167-W171 HydrophobicContact CG2-CG 4.15Å; T167-W171 HydrophobicContact CG2-CH2 4.49Å; T167-W171 HydrophobicContact CG2-CZ2 4.01Å; T167-W171 PolarHBondContact O-N 2.99Å; K168-W171 PolarHBondContact O-N 3.12Å; K168-W171 VanDerWaalsContact O-N 3.17Å; W171-A174 CarbonylContact O-C 3.5Å; W171-A176 HydrophobicContact CB-CB 3.87Å; W171-A176 HydrophobicContact CD2-CB 4.49Å; W171-A176 HydrophobicContact CG-CB 4.04Å; W171-A176 WeakPolarHBondContact O-CB 3.36Å
172	E	97.8	Very high	97.6	Very high	104 Å²	104	69.9 Å²	69.9	49%	0.486	36%	0.364	S	S	.	.	H	α-helix	trans	-76.8	-31	171.4	-72.5	175.4	158.1	0	0	112.4	K168 A174	K168-E172 WeakPolarHBondContact CE-OE1 3.46Å; K168-E172 HydrophobicContact CG-CG 4.3Å; K168-E172 IonicContact NZ-OE1 3.76Å; K168-E172 WeakPolarHBondContact O-CB 3.32Å; K168-E172 WeakPolarHBondContact O-CG 3.3Å; K168-E172 PolarHBondContact O-N 3.26Å; E172-A174 PolarHBondContact O-N 3.46Å
173	A	97.7	Very high	97.7	Very high	96 Å²	96	64.6 Å²	64.6	79%	0.793	34%	0.337	S	S	*	.	H	α-helix	trans	-75.1	-14.9	172.6	0	0	0	0	0	113.1	R169 K170	R169-A173 WeakPolarHBondContact O-CB 3.35Å; R169-A173 PolarHBondContact O-N 3.27Å; K170-A173 PolarHBondContact O-N 3.14Å
174	A	96	Very high	97.7	Very high	48 Å²	48	64 Å²	64	40%	0.397	33%	0.332	S	S	.	.	T	Hydrogen-bonded Turn	trans	-107.5	163.7	174.1	0	0	0	0	0	110.2	K170 W171 E172 A176	K170-A174 WeakPolarHBondContact O-CB 3.48Å; K170-A174 PolarHBondContact O-N 3.26Å; W171-A174 CarbonylContact O-C 3.5Å; E172-A174 PolarHBondContact O-N 3.46Å; A174-A176 PolarHBondContact O-N 3.25Å
175	P	95.5	Very high	97.7	Very high	68 Å²	68	67.8 Å²	67.8	44%	0.442	35%	0.35	S	S	.	.	T	Hydrogen-bonded Turn	trans	-78.3	37.1	174.8	33.4	-36.3	0	0	0	112.5	E178 Q179	P175-E178 HydrophobicContact CB-CB 4.46Å; P175-E178 PolarHBondContact O-N 2.89Å; P175-Q179 WeakPolarHBondContact O-CG 3.5Å; P175-Q179 PolarHBondContact O-N 3.32Å
176	A	96.4	Very high	97.7	Very high	15 Å²	15	66.1 Å²	66.1	12%	0.124	35%	0.348	C	S	.	.	H	α-helix	trans	-64.9	-45.9	-170.9	0	0	0	0	0	112.1	W157 W171 A174 E178 Q179 Q180	W157-A176 HydrophobicContact CZ2-CB 4.33Å; W171-A176 HydrophobicContact CB-CB 3.87Å; W171-A176 HydrophobicContact CD2-CB 4.49Å; W171-A176 HydrophobicContact CG-CB 4.04Å; W171-A176 WeakPolarHBondContact O-CB 3.36Å; A174-A176 PolarHBondContact O-N 3.25Å; A176-E178 VanDerWaalsContact C-N 3.35Å; A176-E178 PolarHBondContact O-N 2.72Å; A176-Q179 PolarHBondContact O-N 2.88Å; A176-Q180 WeakPolarHBondContact O-CG 3.04Å; A176-Q180 PolarHBondContact O-N 3.38Å
177	A	97.5	Very high	97.7	Very high	10 Å²	10	70 Å²	70	8%	0.083	36%	0.359	C	S	.	.	H	α-helix	trans	-63.5	-41.1	177.4	0	0	0	0	0	111.7	L150 R155 W157 Q179 Q180 R181	L150-A177 HydrophobicContact CD1-CB 4.18Å; R155-A177 WeakPolarHBondContact O-CB 3.35Å; W157-A177 HydrophobicContact CZ2-CB 4.35Å; A177-Q179 PolarHBondContact O-N 3.02Å; A177-Q180 PolarHBondContact O-N 3.25Å; A177-R181 VanDerWaalsContact O-CB 3.26Å; A177-R181 WeakPolarHBondContact O-CB 3.33Å; A177-R181 PolarHBondContact O-N 3.3Å
178	E	97.6	Very high	97.7	Very high	143 Å²	143	69.1 Å²	69.1	67%	0.668	35%	0.354	S	S	*	.	H	α-helix	trans	-63.4	-41.7	178.3	-63.2	-177.8	166.9	0	0	112	P175 A176 R181 A182	P175-E178 HydrophobicContact CB-CB 4.46Å; P175-E178 PolarHBondContact O-N 2.89Å; A176-E178 VanDerWaalsContact C-N 3.35Å; A176-E178 PolarHBondContact O-N 2.72Å; E178-R181 PolarHBondContact O-N 3.38Å; E178-A182 WeakPolarHBondContact O-CB 3.46Å; E178-A182 PolarHBondContact O-N 2.63Å
179	Q	96.8	Very high	97.7	Very high	130 Å²	130	67.3 Å²	67.3	61%	0.607	35%	0.346	S	S	*	.	H	α-helix	trans	-64.4	-43.9	175.3	-72.9	177.3	-2.2	0	0	112.2	P175 A176 A177 A182 Y183	P175-Q179 WeakPolarHBondContact O-CG 3.5Å; P175-Q179 PolarHBondContact O-N 3.32Å; A176-Q179 PolarHBondContact O-N 2.88Å; A177-Q179 PolarHBondContact O-N 3.02Å; Q179-A182 PolarHBondContact O-N 2.72Å; Q179-Y183 PolarHBondContact O-N 2.92Å; Q179-Y183 VanDerWaalsContact O-N 3.14Å
180	Q	97.8	Very high	97.7	Very high	48 Å²	48	66.4 Å²	66.4	22%	0.224	35%	0.348	C	S	.	.	H	α-helix	trans	-63.2	-46.6	176.2	-68.2	-56.2	-33.3	0	0	110.9	L150 W157 A176 A177 A182 Y183 L184	L150-Q180 HydrophobicContact CD2-CB 3.98Å; W157-Q180 HydrophobicContact CH2-CG 4.21Å; W157-Q180 HydrophobicContact CZ2-CG 4.48Å; A176-Q180 WeakPolarHBondContact O-CG 3.04Å; A176-Q180 PolarHBondContact O-N 3.38Å; A177-Q180 PolarHBondContact O-N 3.25Å; Q180-A182 PolarHBondContact O-N 3.42Å; Q180-Y183 PolarHBondContact O-N 2.87Å; Q180-Y183 VanDerWaalsContact O-N 3.17Å; Q180-L184 WeakPolarHBondContact O-CB 3.23Å; Q180-L184 WeakPolarHBondContact O-CG 3.01Å; Q180-L184 PolarHBondContact O-N 3.14Å
181	R	98.3	Very high	97.7	Very high	73 Å²	73	64.1 Å²	64.1	28%	0.275	34%	0.336	S	S	.	.	H	α-helix	trans	-57.6	-46.4	176.7	-175.8	174.3	178.4	-132.5	-17.2	112.3	L154 A177 E178 Y183 L184 E185	L154-R181 HydrophobicContact CB-CB 4.04Å; L154-R181 HydrophobicContact CB-CG 3.87Å; L154-R181 HydrophobicContact CD1-CG 4.09Å; A177-R181 VanDerWaalsContact O-CB 3.26Å; A177-R181 WeakPolarHBondContact O-CB 3.33Å; A177-R181 PolarHBondContact O-N 3.3Å; E178-R181 PolarHBondContact O-N 3.38Å; R181-Y183 VanDerWaalsContact C-N 3.28Å; R181-Y183 PolarHBondContact O-N 2.89Å; R181-L184 PolarHBondContact O-N 2.69Å; R181-E185 HydrophobicContact CG-CG 4.11Å; R181-E185 IonicContact CZ-OE1 3.43Å; R181-E185 IonicContact CZ-OE2 3.5Å; R181-E185 VanDerWaalsContact NE-CD 3.31Å; R181-E185 IonicContact NE-OE1 2.8Å; R181-E185 PolarHBondContact NE-OE1 2.99Å; R181-E185 IonicContact NE-OE2 3.27Å; R181-E185 PolarHBondContact NE-OE2 2.86Å; R181-E185 IonicContact NH2-OE1 3.16Å; R181-E185 PolarHBondContact NH2-OE1 2.8Å; R181-E185 VanDerWaalsContact NH2-OE1 3.16Å; R181-E185 IonicContact NH2-OE2 3.07Å; R181-E185 PolarHBondContact NH2-OE2 2.81Å; R181-E185 WeakPolarHBondContact O-CB 3.36Å; R181-E185 PolarHBondContact O-N 2.73Å
182	A	98.3	Very high	97.7	Very high	68 Å²	68	61.1 Å²	61.1	56%	0.562	33%	0.325	S	S	*	.	H	α-helix	trans	-61.1	-36.5	178.3	0	0	0	0	0	112.6	E178 Q179 Q180 G186	E178-A182 WeakPolarHBondContact O-CB 3.46Å; E178-A182 PolarHBondContact O-N 2.63Å; Q179-A182 PolarHBondContact O-N 2.72Å; Q180-A182 PolarHBondContact O-N 3.42Å; A182-G186 PolarHBondContact O-N 2.83Å
183	Y	98.2	Very high	97.7	Very high	35 Å²	35	61.9 Å²	61.9	14%	0.137	32%	0.323	C	S	.	.	I	π-helix	trans	-69.2	-48.9	172.8	172	-98.8	0	0	0	112.1	Y123 Q179 Q180 R181 G186 R187 C188	Y123-Y183 HydrophobicContact CD2-CD1 4.5Å; Y123-Y183 AromaticContact CD2-CE1 3.74Å; Y123-Y183 HydrophobicContact CD2-CE1 3.74Å; Y123-Y183 AromaticContact CE2-CE1 3.58Å; Y123-Y183 HydrophobicContact CE2-CE1 3.58Å; Y123-Y183 AromaticContact CE2-CZ 3.88Å; Q179-Y183 PolarHBondContact O-N 2.92Å; Q179-Y183 VanDerWaalsContact O-N 3.14Å; Q180-Y183 PolarHBondContact O-N 2.87Å; Q180-Y183 VanDerWaalsContact O-N 3.17Å; R181-Y183 VanDerWaalsContact C-N 3.28Å; R181-Y183 PolarHBondContact O-N 2.89Å; Y183-G186 CarbonylContact O-C 3.48Å; Y183-G186 PolarHBondContact O-N 3.41Å; Y183-R187 HydrophobicContact CD2-CB 3.86Å; Y183-R187 HydrophobicContact CE2-CB 4.11Å; Y183-R187 PolarHBondContact O-N 3.1Å; Y183-R187 VanDerWaalsContact O-N 3.12Å; Y183-C188 HydrophobicContact CD1-CB 4.35Å; Y183-C188 HydrophobicContact CE1-CB 3.92Å; Y183-C188 WeakPolarHBondContact O-CB 3.3Å; Y183-C188 PolarHBondContact O-N 2.99Å
184	L	98.6	Very high	97.7	Very high	0 Å²	0	63.1 Å²	63.1	0%	0	31%	0.307	C	S	.	.	I	π-helix	trans	-68.7	-43.5	-172.8	-68.9	172.2	0	0	0	112.8	G124 F133 L150 L154 Q180 R181	G124-L184 VanDerWaalsContact O-CD2 3.23Å; G124-L184 WeakPolarHBondContact O-CD2 3.4Å; F133-L184 WeakPolarHBondContact CE2-O 3.26Å; L150-L184 HydrophobicContact CD2-CD1 3.93Å; L154-L184 HydrophobicContact CD2-CD1 4.09Å; Q180-L184 WeakPolarHBondContact O-CB 3.23Å; Q180-L184 WeakPolarHBondContact O-CG 3.01Å; Q180-L184 PolarHBondContact O-N 3.14Å; R181-L184 PolarHBondContact O-N 2.69Å
185	E	98.3	Very high	97.8	Very high	78 Å²	78	60.9 Å²	60.9	36%	0.364	29%	0.289	S	S	.	.	I	π-helix	trans	-78.3	-23.3	178.4	-67.5	-177.5	174.8	0	0	112.6	F133 L154 R181	F133-E185 HydrophobicContact CD1-CG 4.19Å; F133-E185 HydrophobicContact CE1-CG 3.93Å; F133-E185 HydrophobicContact CE2-CG 4.43Å; F133-E185 HydrophobicContact CZ-CG 4.05Å; L154-E185 HydrophobicContact CD1-CG 3.97Å; R181-E185 HydrophobicContact CG-CG 4.11Å; R181-E185 IonicContact CZ-OE1 3.43Å; R181-E185 IonicContact CZ-OE2 3.5Å; R181-E185 VanDerWaalsContact NE-CD 3.31Å; R181-E185 IonicContact NE-OE1 2.8Å; R181-E185 PolarHBondContact NE-OE1 2.99Å; R181-E185 IonicContact NE-OE2 3.27Å; R181-E185 PolarHBondContact NE-OE2 2.86Å; R181-E185 IonicContact NH2-OE1 3.16Å; R181-E185 PolarHBondContact NH2-OE1 2.8Å; R181-E185 VanDerWaalsContact NH2-OE1 3.16Å; R181-E185 IonicContact NH2-OE2 3.07Å; R181-E185 PolarHBondContact NH2-OE2 2.81Å; R181-E185 WeakPolarHBondContact O-CB 3.36Å; R181-E185 PolarHBondContact O-N 2.73Å
186	G	98.1	Very high	97.9	Very high	22 Å²	22	58.3 Å²	58.3	23%	0.227	27%	0.271	C	S	.	.	I	π-helix	trans	-107.3	-93.7	-176.6	0	0	0	0	0	112.6	A182 Y183 C188 V189 E190	A182-G186 PolarHBondContact O-N 2.83Å; Y183-G186 CarbonylContact O-C 3.48Å; Y183-G186 PolarHBondContact O-N 3.41Å; G186-C188 VanDerWaalsContact C-N 3.29Å; G186-C188 PolarHBondContact O-N 3.09Å; G186-V189 PolarHBondContact O-N 2.84Å; G186-E190 WeakPolarHBondContact O-CG 3.49Å; G186-E190 PolarHBondContact O-N 3.28Å
187	R	97.7	Very high	97.9	Very high	140 Å²	140	63.5 Å²	63.5	53%	0.528	29%	0.293	S	S	.	.	I	π-helix	trans	-54.7	-40.3	-170.7	-70	-167.2	-67.8	161	1.3	113.4	Y183 V189 E190 W191	Y183-R187 HydrophobicContact CD2-CB 3.86Å; Y183-R187 HydrophobicContact CE2-CB 4.11Å; Y183-R187 PolarHBondContact O-N 3.1Å; Y183-R187 VanDerWaalsContact O-N 3.12Å; R187-V189 PolarHBondContact O-N 2.87Å; R187-E190 PolarHBondContact O-N 2.73Å; R187-W191 WeakPolarHBondContact O-CB 3.37Å; R187-W191 PolarHBondContact O-N 2.61Å
188	C	98.4	Very high	97.8	Very high	0 Å²	0	65.5 Å²	65.5	0%	0	30%	0.302	C	S	.	.	H	α-helix	trans	-59.9	-47.2	179.1	-175	0	0	0	0	111.2	M29 C125 Y183 G186 W191 L192	M29-C188 HydrophobicContact CE-CB 4.13Å; M29-C188 WeakPolarHBondContact CE-O 3.33Å; M29-C188 WeakPolarHBondContact CE-SG 3.43Å; C125-C188 HydrophobicContact CB-CB 3.91Å; C125-C188 WeakPolarHBondContact CB-SG 3.31Å; C125-C188 PolarHBondContact N-SG 3.46Å; C125-C188 WeakPolarHBondContact SG-CB 3.39Å; C125-C188 CovalentContact SG-SG 2.04Å; C125-C188 PolarHBondContact SG-SG 3.5Å; Y183-C188 HydrophobicContact CD1-CB 4.35Å; Y183-C188 HydrophobicContact CE1-CB 3.92Å; Y183-C188 WeakPolarHBondContact O-CB 3.3Å; Y183-C188 PolarHBondContact O-N 2.99Å; G186-C188 VanDerWaalsContact C-N 3.29Å; G186-C188 PolarHBondContact O-N 3.09Å; C188-W191 PolarHBondContact O-N 3.25Å; C188-L192 VanDerWaalsContact O-CB 3.32Å; C188-L192 WeakPolarHBondContact O-CB 3.22Å; C188-L192 PolarHBondContact O-N 3.34Å
189	V	98.4	Very high	97.7	Very high	7 Å²	7	58.8 Å²	58.8	4%	0.042	27%	0.271	C	S	.	.	H	α-helix	trans	-66.1	-42.7	178.8	175.3	0	0	0	0	111.4	V127 F133 G186 R187 L192 R193	V127-V189 HydrophobicContact CG1-CB 4.4Å; V127-V189 HydrophobicContact CG1-CG1 3.92Å; V127-V189 HydrophobicContact CG1-CG2 4.06Å; F133-V189 HydrophobicContact CB-CG2 4.01Å; F133-V189 HydrophobicContact CD2-CG2 3.61Å; F133-V189 HydrophobicContact CG-CG2 4.28Å; G186-V189 PolarHBondContact O-N 2.84Å; R187-V189 PolarHBondContact O-N 2.87Å; V189-L192 PolarHBondContact O-N 3.34Å; V189-R193 WeakPolarHBondContact O-CG 3.15Å; V189-R193 PolarHBondContact O-N 2.86Å
190	E	98.2	Very high	97.6	Very high	126 Å²	126	57.8 Å²	57.8	59%	0.589	27%	0.265	S	S	*	.	H	α-helix	trans	-59.5	-47.6	177.6	-70.5	172.2	175.7	0	0	111.8	G186 R187 R194	G186-E190 WeakPolarHBondContact O-CG 3.49Å; G186-E190 PolarHBondContact O-N 3.28Å; R187-E190 PolarHBondContact O-N 2.73Å; E190-R194 PolarHBondContact O-N 3.05Å; E190-R194 VanDerWaalsContact O-N 3.15Å
191	W	98.2	Very high	97.3	Very high	73 Å²	73	64.2 Å²	64.2	28%	0.277	30%	0.295	S	S	.	.	H	α-helix	trans	-67.8	-43.2	178	-82	111.1	0	0	0	112.5	M29 Y83 R187 C188 R193 R194 Y195	M29-W191 HydrophobicContact CE-CB 4.1Å; Y83-W191 AromaticContact CD2-CH2 3.49Å; Y83-W191 HydrophobicContact CD2-CH2 3.49Å; Y83-W191 VanDerWaalsContact CD2-CH2 3.49Å; Y83-W191 HydrophobicContact CD2-CZ2 4.04Å; Y83-W191 AromaticContact CD2-CZ3 3.91Å; Y83-W191 HydrophobicContact CD2-CZ3 3.91Å; Y83-W191 HydrophobicContact CE2-CE3 4.4Å; Y83-W191 AromaticContact CE2-CH2 3.88Å; Y83-W191 HydrophobicContact CE2-CH2 3.88Å; Y83-W191 HydrophobicContact CE2-CZ2 4.32Å; Y83-W191 AromaticContact CE2-CZ3 3.91Å; Y83-W191 HydrophobicContact CE2-CZ3 3.91Å; R187-W191 WeakPolarHBondContact O-CB 3.37Å; R187-W191 PolarHBondContact O-N 2.61Å; C188-W191 PolarHBondContact O-N 3.25Å; W191-R193 VanDerWaalsContact C-N 3.32Å; W191-R193 PolarHBondContact O-N 2.74Å; W191-R194 WeakPolarHBondContact O-CB 3.14Å; W191-R194 PolarHBondContact O-N 3Å; W191-R194 VanDerWaalsContact O-N 3.14Å; W191-Y195 HydrophobicContact CB-CE2 3.98Å; W191-Y195 HydrophobicContact CD2-CE1 4.48Å; W191-Y195 HydrophobicContact CE3-CD1 4.35Å; W191-Y195 AromaticContact CE3-CE1 3.43Å; W191-Y195 HydrophobicContact CE3-CE1 3.43Å; W191-Y195 VanDerWaalsContact CE3-CE1 3.43Å; W191-Y195 HydrophobicContact CE3-CE2 4.36Å; W191-Y195 AromaticContact CE3-CZ 3.43Å; W191-Y195 VanDerWaalsContact CE3-CZ 3.43Å; W191-Y195 AromaticContact CZ3-CE1 3.84Å; W191-Y195 HydrophobicContact CZ3-CE1 3.84Å; W191-Y195 WeakPolarHBondContact O-CD2 3.38Å; W191-Y195 VanDerWaalsContact O-CG 3.22Å; W191-Y195 PolarHBondContact O-N 2.83Å
192	L	98.4	Very high	97	Very high	0 Å²	0	63 Å²	63	0%	0	30%	0.296	C	S	.	.	H	α-helix	trans	-57.8	-45.1	176.5	175.1	52.5	0	0	0	111.2	H27 M29 V52 V127 C188 V189 R194 Y195 L196	H27-L192 HydrophobicContact CB-CD1 4.46Å; M29-L192 HydrophobicContact CB-CB 4.11Å; M29-L192 HydrophobicContact CB-CD1 4.04Å; M29-L192 HydrophobicContact CB-CD2 4.12Å; M29-L192 HydrophobicContact CB-CG 4.31Å; M29-L192 HydrophobicContact CE-CB 4.45Å; V52-L192 HydrophobicContact CG1-CD1 3.61Å; V52-L192 HydrophobicContact CG2-CD1 4.26Å; V127-L192 HydrophobicContact CB-CD2 4.34Å; V127-L192 HydrophobicContact CG1-CD2 3.92Å; V127-L192 HydrophobicContact CG2-CD2 3.61Å; V127-L192 HydrophobicContact CG2-CG 4.16Å; C188-L192 VanDerWaalsContact O-CB 3.32Å; C188-L192 WeakPolarHBondContact O-CB 3.22Å; C188-L192 PolarHBondContact O-N 3.34Å; V189-L192 PolarHBondContact O-N 3.34Å; L192-R194 VanDerWaalsContact C-N 3.35Å; L192-R194 PolarHBondContact O-N 3.09Å; L192-Y195 PolarHBondContact O-N 3.37Å; L192-L196 HydrophobicContact CD1-CD1 3.86Å; L192-L196 HydrophobicContact CD1-CD2 4.41Å; L192-L196 HydrophobicContact CD1-CG 3.87Å; L192-L196 HydrophobicContact CG-CD1 3.99Å; L192-L196 HydrophobicContact CG-CG 4.46Å; L192-L196 WeakPolarHBondContact O-CB 3.16Å; L192-L196 VanDerWaalsContact O-CG 3.26Å; L192-L196 WeakPolarHBondContact O-CG 3.47Å; L192-L196 PolarHBondContact O-N 3.25Å
193	R	97.6	Very high	96.7	Very high	119 Å²	119	60 Å²	60	45%	0.449	27%	0.27	S	S	.	.	H	α-helix	trans	-60	-43.4	175.6	-72.5	175.2	-176.6	175.5	2.1	112.5	G131 V189 W191 L196 E197	G131-R193 PolarHBondContact O-NE 2.96Å; G131-R193 PolarHBondContact O-NH2 2.99Å; V189-R193 WeakPolarHBondContact O-CG 3.15Å; V189-R193 PolarHBondContact O-N 2.86Å; W191-R193 VanDerWaalsContact C-N 3.32Å; W191-R193 PolarHBondContact O-N 2.74Å; R193-L196 PolarHBondContact O-N 3.18Å; R193-E197 PolarHBondContact O-N 3.16Å; R193-E197 VanDerWaalsContact O-N 3.07Å
194	R	97.6	Very high	96.4	Very high	122 Å²	122	62.6 Å²	62.6	46%	0.46	28%	0.284	S	S	.	.	H	α-helix	trans	-61.6	-44.6	176.4	179	177.5	173.7	124.5	-4.8	111.4	E79 E190 W191 L192 E197 N198	E79-R194 IonicContact OE1-CZ 3.43Å; E79-R194 IonicContact OE1-NE 3.49Å; E79-R194 PolarHBondContact OE1-NE 3.11Å; E79-R194 IonicContact OE1-NH2 3.23Å; E79-R194 PolarHBondContact OE1-NH2 2.93Å; E79-R194 IonicContact OE2-CZ 3.4Å; E79-R194 IonicContact OE2-NE 2.74Å; E79-R194 IonicContact OE2-NH2 2.72Å; E79-R194 PolarHBondContact OE2-NH2 2.87Å; E190-R194 PolarHBondContact O-N 3.05Å; E190-R194 VanDerWaalsContact O-N 3.15Å; W191-R194 WeakPolarHBondContact O-CB 3.14Å; W191-R194 PolarHBondContact O-N 3Å; W191-R194 VanDerWaalsContact O-N 3.14Å; L192-R194 VanDerWaalsContact C-N 3.35Å; L192-R194 PolarHBondContact O-N 3.09Å; R194-E197 PolarHBondContact O-N 3.42Å; R194-N198 VanDerWaalsContact O-CB 3.26Å; R194-N198 WeakPolarHBondContact O-CB 3.44Å; R194-N198 PolarHBondContact O-N 2.72Å; R194-N198 PolarHBondContact O-OD1 3.23Å
195	Y	97.9	Very high	96.1	Very high	1 Å²	1	66.4 Å²	66.4	0%	0.004	30%	0.298	C	S	.	.	H	α-helix	trans	-66	-39.5	178.2	-60.5	-27.4	0	0	0	112.5	M29 V52 F57 W75 I76 Y83 W191 L192 E197 N198 G199 L203	M29-Y195 HydrophobicContact SD-CD2 3.74Å; M29-Y195 HydrophobicContact SD-CE2 3.52Å; M29-Y195 VanDerWaalsContact SD-CE2 3.52Å; V52-Y195 HydrophobicContact CG2-CD2 3.97Å; V52-Y195 HydrophobicContact CG2-CG 4.48Å; F57-Y195 HydrophobicContact CE2-CD2 4.26Å; F57-Y195 AromaticContact CE2-CE2 3.68Å; F57-Y195 HydrophobicContact CE2-CE2 3.68Å; F57-Y195 AromaticContact CE2-CZ 3.99Å; F57-Y195 HydrophobicContact CZ-CD2 4.3Å; F57-Y195 AromaticContact CZ-CE2 3.81Å; F57-Y195 HydrophobicContact CZ-CE2 3.81Å; W75-Y195 HydrophobicContact CH2-CG 4.2Å; W75-Y195 AromaticContact CZ3-CD1 3.78Å; W75-Y195 HydrophobicContact CZ3-CD1 3.78Å; W75-Y195 HydrophobicContact CZ3-CD2 4.4Å; W75-Y195 AromaticContact CZ3-CG 3.69Å; W75-Y195 HydrophobicContact CZ3-CG 3.69Å; I76-Y195 HydrophobicContact CD1-CD1 3.8Å; I76-Y195 HydrophobicContact CD1-CE1 3.32Å; Y83-Y195 WeakPolarHBondContact CE2-OH 3.42Å; Y83-Y195 PolarHBondContact OH-OH 3.25Å; W191-Y195 HydrophobicContact CB-CE2 3.98Å; W191-Y195 HydrophobicContact CD2-CE1 4.48Å; W191-Y195 HydrophobicContact CE3-CD1 4.35Å; W191-Y195 AromaticContact CE3-CE1 3.43Å; W191-Y195 HydrophobicContact CE3-CE1 3.43Å; W191-Y195 VanDerWaalsContact CE3-CE1 3.43Å; W191-Y195 HydrophobicContact CE3-CE2 4.36Å; W191-Y195 AromaticContact CE3-CZ 3.43Å; W191-Y195 VanDerWaalsContact CE3-CZ 3.43Å; W191-Y195 AromaticContact CZ3-CE1 3.84Å; W191-Y195 HydrophobicContact CZ3-CE1 3.84Å; W191-Y195 WeakPolarHBondContact O-CD2 3.38Å; W191-Y195 VanDerWaalsContact O-CG 3.22Å; W191-Y195 PolarHBondContact O-N 2.83Å; L192-Y195 PolarHBondContact O-N 3.37Å; Y195-E197 VanDerWaalsContact C-N 3.3Å; Y195-E197 PolarHBondContact O-N 2.84Å; Y195-N198 PolarHBondContact O-N 2.86Å; Y195-G199 WeakPolarHBondContact O-CA 3.35Å; Y195-G199 PolarHBondContact O-N 2.87Å; Y195-L203 WeakPolarHBondContact O-CD1 3.46Å
196	L	96.8	Very high	95.9	Very high	14 Å²	14	65.7 Å²	65.7	7%	0.073	30%	0.299	C	S	.	.	H	α-helix	trans	-63.6	-34.9	175.2	-71.5	169.4	0	0	0	112.7	H27 V52 V127 L192 R193 K200 L203 Q204	H27-L196 HydrophobicContact CB-CD1 3.68Å; H27-L196 HydrophobicContact CB-CD2 4Å; H27-L196 HydrophobicContact CB-CG 4.42Å; H27-L196 WeakPolarHBondContact ND1-CD2 3.29Å; V52-L196 HydrophobicContact CG1-CD2 4.03Å; V127-L196 HydrophobicContact CG2-CD1 4.44Å; L192-L196 HydrophobicContact CD1-CD1 3.86Å; L192-L196 HydrophobicContact CD1-CD2 4.41Å; L192-L196 HydrophobicContact CD1-CG 3.87Å; L192-L196 HydrophobicContact CG-CD1 3.99Å; L192-L196 HydrophobicContact CG-CG 4.46Å; L192-L196 WeakPolarHBondContact O-CB 3.16Å; L192-L196 VanDerWaalsContact O-CG 3.26Å; L192-L196 WeakPolarHBondContact O-CG 3.47Å; L192-L196 PolarHBondContact O-N 3.25Å; R193-L196 PolarHBondContact O-N 3.18Å; L196-K200 WeakPolarHBondContact O-CA 3.32Å; L196-K200 WeakPolarHBondContact O-CB 3.48Å; L196-K200 PolarHBondContact O-N 2.92Å; L196-K200 VanDerWaalsContact O-N 3.15Å; L196-L203 HydrophobicContact CD2-CB 4.12Å; L196-L203 HydrophobicContact CD2-CD1 4.32Å; L196-Q204 HydrophobicContact CD2-CG 4.49Å; L196-Q204 PolarHBondContact O-NE2 2.95Å
197	E	96.4	Very high	95.7	Very high	124 Å²	124	67.2 Å²	67.2	58%	0.579	30%	0.302	S	S	*	.	H	α-helix	trans	-72.6	-48.4	174.1	-172.3	60	-151.8	0	0	111.1	R193 R194 Y195 G199 K200	R193-E197 PolarHBondContact O-N 3.16Å; R193-E197 VanDerWaalsContact O-N 3.07Å; R194-E197 PolarHBondContact O-N 3.42Å; Y195-E197 VanDerWaalsContact C-N 3.3Å; Y195-E197 PolarHBondContact O-N 2.84Å; E197-G199 VanDerWaalsContact C-N 3.33Å; E197-G199 PolarHBondContact O-N 2.81Å; E197-K200 WeakPolarHBondContact O-CB 3.36Å; E197-K200 PolarHBondContact O-N 2.88Å
198	N	96.6	Very high	95.7	Very high	52 Å²	52	63.6 Å²	63.6	28%	0.278	30%	0.297	S	S	.	.	H	α-helix	trans	-60.2	-40.2	179.2	-78.9	2.2	0	0	0	113	Q78 E79 R194 Y195	Q78-N198 PolarHBondContact NE2-ND2 3.17Å; E79-N198 PolarHBondContact OE1-ND2 3.35Å; R194-N198 VanDerWaalsContact O-CB 3.26Å; R194-N198 WeakPolarHBondContact O-CB 3.44Å; R194-N198 PolarHBondContact O-N 2.72Å; R194-N198 PolarHBondContact O-OD1 3.23Å; Y195-N198 PolarHBondContact O-N 2.86Å
199	G	95.6	Very high	95.7	Very high	2 Å²	2	64 Å²	64	2%	0.021	30%	0.299	C	S	.	.	T	Hydrogen-bonded Turn	trans	-104.3	18.7	-176.4	0	0	0	0	0	113.7	Y195 E197 E201 T202 L203	Y195-G199 WeakPolarHBondContact O-CA 3.35Å; Y195-G199 PolarHBondContact O-N 2.87Å; E197-G199 VanDerWaalsContact C-N 3.33Å; E197-G199 PolarHBondContact O-N 2.81Å; G199-E201 VanDerWaalsContact C-N 3.28Å; G199-E201 PolarHBondContact O-N 2.91Å; G199-E201 VanDerWaalsContact O-N 3.15Å; G199-T202 CarbonylContact O-C 3.56Å; G199-T202 WeakPolarHBondContact O-CA 3.34Å; G199-T202 PolarHBondContact O-N 2.75Å; G199-T202 PolarHBondContact O-OG1 2.69Å; G199-L203 PolarHBondContact O-N 3.15Å
200	K	94	Very high	95.6	Very high	109 Å²	109	71.2 Å²	71.2	47%	0.474	33%	0.33	S	S	.	.	H	α-helix	trans	-48.5	-44.9	-171.2	-177.3	173.4	-173.8	172.5	0	114.2	L196 E197 T202 Q204	L196-K200 WeakPolarHBondContact O-CA 3.32Å; L196-K200 WeakPolarHBondContact O-CB 3.48Å; L196-K200 PolarHBondContact O-N 2.92Å; L196-K200 VanDerWaalsContact O-N 3.15Å; E197-K200 WeakPolarHBondContact O-CB 3.36Å; E197-K200 PolarHBondContact O-N 2.88Å; K200-T202 PolarHBondContact O-N 3.09Å; K200-Q204 WeakPolarHBondContact O-CB 3.35Å; K200-Q204 PolarHBondContact O-N 3.04Å
201	E	92	Very high	95.6	Very high	184 Å²	184	67 Å²	67	86%	0.86	31%	0.313	S	S	*	.	H	α-helix	trans	-63.9	-24.4	-179.8	-62.2	-174.7	165.1	0	0	113.4	G199	G199-E201 VanDerWaalsContact C-N 3.28Å; G199-E201 PolarHBondContact O-N 2.91Å; G199-E201 VanDerWaalsContact O-N 3.15Å
202	T	91.8	Very high	95.4	Very high	48 Å²	48	67.4 Å²	67.4	29%	0.294	32%	0.318	S	S	.	.	H	α-helix	trans	-105.5	-38.9	-177.8	51.2	0	0	0	0	113.8	G199 K200 R205	G199-T202 CarbonylContact O-C 3.56Å; G199-T202 WeakPolarHBondContact O-CA 3.34Å; G199-T202 PolarHBondContact O-N 2.75Å; G199-T202 PolarHBondContact O-OG1 2.69Å; K200-T202 PolarHBondContact O-N 3.09Å; T202-R205 WeakPolarHBondContact O-CG 3.24Å; T202-R205 PolarHBondContact O-NE 3.46Å
203	L	92.9	Very high	95.2	Very high	4 Å²	4	69.1 Å²	69.1	2%	0.021	33%	0.326	C	S	.	.	H	α-helix	trans	-87.8	-31.9	-172.5	-64	172.9	0	0	0	112.2	V52 T55 W75 Y195 L196 G199	V52-L203 HydrophobicContact CB-CD1 4.25Å; V52-L203 HydrophobicContact CB-CD2 4.08Å; V52-L203 HydrophobicContact CG1-CD1 3.9Å; V52-L203 HydrophobicContact CG1-CD2 4.07Å; V52-L203 HydrophobicContact CG1-CG 4.49Å; T55-L203 HydrophobicContact CG2-CD2 4.04Å; W75-L203 HydrophobicContact CD2-CD1 4.45Å; W75-L203 HydrophobicContact CH2-CD1 4.3Å; W75-L203 HydrophobicContact CZ2-CD1 3.82Å; W75-L203 HydrophobicContact CZ2-CD2 4.06Å; W75-L203 HydrophobicContact CZ2-CG 4.34Å; Y195-L203 WeakPolarHBondContact O-CD1 3.46Å; L196-L203 HydrophobicContact CD2-CB 4.12Å; L196-L203 HydrophobicContact CD2-CD1 4.32Å; G199-L203 PolarHBondContact O-N 3.15Å
204	Q	91.4	Very high	95	Very high	89 Å²	89	65 Å²	65	42%	0.416	32%	0.315	S	S	.	.	S	Bend	trans	-101.2	15	178.9	-56.4	179.6	35.1	0	0	112.1	L196 K200	L196-Q204 HydrophobicContact CD2-CG 4.49Å; L196-Q204 PolarHBondContact O-NE2 2.95Å; K200-Q204 WeakPolarHBondContact O-CB 3.35Å; K200-Q204 PolarHBondContact O-N 3.04Å
205	R	92.4	Very high	94.8	Very high	81 Å²	81	61.9 Å²	61.9	31%	0.306	31%	0.305	S	S	.	.			trans	-81	151.5	172.3	80.6	-173.2	171.4	-178.9	4.5	109.8	T202 D207 Y233	T202-R205 WeakPolarHBondContact O-CG 3.24Å; T202-R205 PolarHBondContact O-NE 3.46Å; R205-D207 IonicContact CZ-OD2 3.28Å; R205-D207 IonicContact NE-OD2 2.73Å; R205-D207 PolarHBondContact NE-OD2 2.9Å; R205-Y233 HydrophobicContact CG-CD1 3.88Å; R205-Y233 HydrophobicContact CG-CE1 4.3Å; R205-Y233 VanDerWaalsContact O-CD1 3.29Å; R205-Y233 WeakPolarHBondContact O-CD1 3.38Å
206	T	92.9	Very high	94.6	Very high	63 Å²	63	66 Å²	66	39%	0.387	32%	0.324	S	S	.	.			trans	-127.9	112.5	170.5	54.4	0	0	0	0	108.3	Y233 E288	T206-Y233 WeakPolarHBondContact CA-O 3.47Å; T206-E288 HydrophobicContact CG2-CG 4.13Å
207	D	95.3	Very high	94.4	Very high	53 Å²	53	70 Å²	70	28%	0.283	35%	0.351	S	S	.	.	B	Isolated β-bridge	trans	-100.4	113.5	177.8	-65.1	-38.7	0	0	0	108.2	R205 F232 Y233 H287	R205-D207 IonicContact CZ-OD2 3.28Å; R205-D207 IonicContact NE-OD2 2.73Å; R205-D207 PolarHBondContact NE-OD2 2.9Å; D207-F232 WeakPolarHBondContact O-CA 3.42Å; D207-F232 WeakPolarHBondContact O-CB 3.35Å; D207-Y233 PolarHBondContact N-O 2.82Å; D207-Y233 PolarHBondContact O-N 3.13Å; D207-Y233 VanDerWaalsContact O-N 3.08Å; D207-H287 PolarHBondContact O-CE1 3.18Å; D207-H287 VanDerWaalsContact O-CE1 3.31Å
208	P	96.8	Very high	94.1	Very high	65 Å²	65	68.8 Å²	68.8	42%	0.422	35%	0.347	S	S	.	.			trans	-69.1	146.7	-178.8	25.2	-32.3	0	0	0	111.9	K210 L290	P208-K210 PolarHBondContact O-N 3.1Å; P208-L290 HydrophobicContact CB-CD2 3.9Å; P208-L290 HydrophobicContact CB-CG 4.48Å
209	P	97.8	Very high	93.9	Very high	8 Å²	8	68.9 Å²	68.9	5%	0.052	35%	0.352	C	S	.	.			trans	-65.5	130.1	178.8	27.1	-35	0	0	0	111.9	T211 A229 F232 I237 V285 H287 L290	P209-T211 HydrophobicContact CB-CG2 4.13Å; P209-T211 HydrophobicContact CG-CG2 4.35Å; P209-T211 PolarHBondContact O-N 3.5Å; P209-A229 HydrophobicContact CB-CB 3.85Å; P209-F232 HydrophobicContact CB-CB 3.86Å; P209-F232 HydrophobicContact CB-CD1 3.89Å; P209-F232 HydrophobicContact CB-CG 4.14Å; P209-I237 HydrophobicContact CB-CD1 3.96Å; P209-I237 HydrophobicContact CG-CD1 4.01Å; P209-V285 HydrophobicContact CG-CG1 3.96Å; P209-H287 HydrophobicContact CG-CB 4.02Å; P209-L290 HydrophobicContact CG-CD1 3.88Å; P209-L290 HydrophobicContact CG-CD2 4.43Å; P209-L290 HydrophobicContact CG-CG 4.21Å
210	K	97.8	Very high	93.6	Very high	159 Å²	159	76 Å²	76	69%	0.691	39%	0.39	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-76.9	112	164.1	-64.6	174.2	-173.3	168.4	0	107.7	P208 L230	P208-K210 PolarHBondContact O-N 3.1Å; K210-L230 PolarHBondContact N-O 2.93Å; K210-L230 PolarHBondContact O-N 3.15Å
211	T	96.8	Very high	93.5	Very high	38 Å²	38	77.8 Å²	77.8	23%	0.233	40%	0.4	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-106.9	143.1	-174.6	56.8	0	0	0	0	112.2	P209 W228 A229 V285 L294 L296	P209-T211 HydrophobicContact CB-CG2 4.13Å; P209-T211 HydrophobicContact CG-CG2 4.35Å; P209-T211 PolarHBondContact O-N 3.5Å; T211-W228 WeakPolarHBondContact CA-O 3.46Å; T211-W228 WeakPolarHBondContact CB-O 3.07Å; T211-A229 HydrophobicContact CG2-CB 4.37Å; T211-V285 HydrophobicContact CG2-CB 4.48Å; T211-V285 HydrophobicContact CG2-CG1 4.23Å; T211-V285 HydrophobicContact CG2-CG2 4.08Å; T211-L294 HydrophobicContact CG2-CD1 4.34Å; T211-L296 HydrophobicContact CG2-CD1 4.1Å
212	H	93.9	Very high	93.6	Very high	80 Å²	80	73.4 Å²	73.4	37%	0.37	38%	0.379	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-155.3	162.6	171.5	67.1	-77.9	0	0	0	110.1	W228	H212-W228 AromaticContact CD2-CD1 3.93Å; H212-W228 WeakPolarHBondContact CE1-CB 3.21Å; H212-W228 AromaticContact CE1-CD1 3.87Å; H212-W228 AromaticContact CE1-CG 3.54Å; H212-W228 PolarHBondContact N-O 3.23Å; H212-W228 AromaticContact NE2-CD1 3.43Å; H212-W228 AromaticContact NE2-CG 3.58Å; H212-W228 PolarHBondContact O-N 3.25Å
213	M	94.7	Very high	93.7	Very high	36 Å²	36	71.1 Å²	71.1	18%	0.177	37%	0.365	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-114.9	143.3	177.4	-73.7	167.7	106.5	0	0	110.6	R226 W241 C283 L296 W298	M213-R226 CarbonylContact C-O 3.57Å; M213-R226 WeakPolarHBondContact CA-O 3.48Å; M213-W241 HydrophobicContact CE-CH2 3.11Å; M213-W241 HydrophobicContact CE-CZ2 4.06Å; M213-W241 HydrophobicContact CE-CZ3 3.55Å; M213-C283 HydrophobicContact CE-CB 4.18Å; M213-L296 HydrophobicContact CG-CB 4.36Å; M213-L296 HydrophobicContact SD-CB 3.6Å; M213-W298 HydrophobicContact CE-CB 4.36Å; M213-W298 HydrophobicContact SD-CB 4.47Å; M213-W298 PolarHBondContact SD-N 3.39Å; M213-W298 VanDerWaalsContact SD-N 3.37Å
214	T	93.9	Very high	93.9	Very high	33 Å²	33	72 Å²	72	20%	0.202	37%	0.371	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-122.6	141.1	173.6	56.1	0	0	0	0	109	H216 R226 W228	T214-H216 VanDerWaalsContact CB-CE1 3.47Å; T214-H216 WeakPolarHBondContact CB-CE1 3.15Å; T214-H216 PolarHBondContact OG1-CE1 2.74Å; T214-R226 PolarHBondContact N-O 3.46Å; T214-R226 PolarHBondContact O-N 2.98Å; T214-R226 WeakPolarHBondContact OG1-CB 3.39Å; T214-R226 PolarHBondContact OG1-O 3.23Å; T214-W228 PolarHBondContact OG1-NE1 2.89Å
215	H	93.8	Very high	94.1	Very high	56 Å²	56	67.7 Å²	67.7	26%	0.259	35%	0.351	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-120.8	123.3	-179	168.7	-91.2	0	0	0	108.7	A223 T224 L225 E278 W298	H215-A223 WeakPolarHBondContact NE2-CB 3.44Å; H215-T224 WeakPolarHBondContact CA-O 3.36Å; H215-L225 HydrophobicContact CB-CD2 4Å; H215-E278 IonicContact NE2-OE1 3.78Å; H215-W298 HydrophobicContact CB-CD2 4.43Å; H215-W298 HydrophobicContact CB-CZ2 3.93Å; H215-W298 VanDerWaalsContact CB-NE1 3.33Å; H215-W298 AromaticContact CD2-CZ2 3.92Å; H215-W298 AromaticContact CG-CE2 3.81Å; H215-W298 AromaticContact CG-CZ2 3.67Å; H215-W298 AromaticContact ND1-CZ2 3.9Å
216	H	92.9	Very high	94.4	Very high	87 Å²	87	66.2 Å²	66.2	40%	0.403	35%	0.345	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-125.6	105.3	-177.9	-60.4	85.5	0	0	0	108.9	T214 I218 A223 T224 R226	T214-H216 VanDerWaalsContact CB-CE1 3.47Å; T214-H216 WeakPolarHBondContact CB-CE1 3.15Å; T214-H216 PolarHBondContact OG1-CE1 2.74Å; H216-I218 PolarHBondContact O-N 2.98Å; H216-A223 CarbonylContact O-C 3.56Å; H216-A223 WeakPolarHBondContact O-CA 3.44Å; H216-T224 PolarHBondContact N-O 3.03Å; H216-T224 PolarHBondContact O-N 3.19Å; H216-R226 PolarHBondContact CE1-NH1 2.82Å
217	P	92.6	Very high	94.6	Very high	99 Å²	99	63.2 Å²	63.2	64%	0.643	33%	0.327	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-57.9	130.9	172.4	-20.6	31.1	0	0	0	110.5
218	I	91	Very high	94.7	Very high	98 Å²	98	63 Å²	63	50%	0.503	32%	0.322	S	S	.	.			trans	-99.1	-43.5	173.4	-60.5	161.8	0	0	0	109.6	H216 E222 T224 V272	H216-I218 PolarHBondContact O-N 2.98Å; I218-E222 PolarHBondContact N-O 3.15Å; I218-T224 WeakPolarHBondContact CD1-OG1 3.26Å; I218-V272 HydrophobicContact CD1-CG1 4.07Å; I218-V272 HydrophobicContact CD1-CG2 4.11Å
219	S	91.6	Very high	94.8	Very high	55 Å²	55	59.9 Å²	59.9	39%	0.385	30%	0.302	S	S	.	.	S	Bend	trans	-148.2	-178.3	178.2	71.4	0	0	0	0	110.4	H221 E222	S219-H221 PolarHBondContact O-N 2.81Å; S219-H221 VanDerWaalsContact O-N 3.16Å; S219-H221 PolarHBondContact OG-N 2.86Å; S219-E222 PolarHBondContact N-O 3.18Å; S219-E222 VanDerWaalsContact N-O 3.07Å; S219-E222 VanDerWaalsContact O-O 3.13Å; S219-E222 PolarHBondContact OG-N 2.78Å
220	D	88.5	Confident	94.8	Very high	152 Å²	152	62 Å²	62	81%	0.813	31%	0.313	S	S	*	.	S	Bend	trans	-65.4	-10.5	172.5	-65.2	-21.5	0	0	0	113.3
221	H	91.8	Very high	94.8	Very high	146 Å²	146	55.6 Å²	55.6	68%	0.676	29%	0.292	S	S	*	.	S	Bend	trans	-115.2	-16.9	-175.4	-57.2	-44.2	0	0	0	113.6	S219 P274 S275	S219-H221 PolarHBondContact O-N 2.81Å; S219-H221 VanDerWaalsContact O-N 3.16Å; S219-H221 PolarHBondContact OG-N 2.86Å; H221-P274 CarbonylContact O-C 3.53Å; H221-P274 WeakPolarHBondContact O-CA 3.41Å; H221-S275 PolarHBondContact O-N 3.18Å; H221-S275 PolarHBondContact O-OG 2.87Å
222	E	94.4	Very high	94.8	Very high	91 Å²	91	53.8 Å²	53.8	43%	0.425	28%	0.28	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-144.6	145.7	-171.3	-66.9	-178.5	163.3	0	0	112.3	I218 S219 V272 V273 S275	I218-E222 PolarHBondContact N-O 3.15Å; S219-E222 PolarHBondContact N-O 3.18Å; S219-E222 VanDerWaalsContact N-O 3.07Å; S219-E222 VanDerWaalsContact O-O 3.13Å; S219-E222 PolarHBondContact OG-N 2.78Å; E222-V272 HydrophobicContact CB-CG1 4.08Å; E222-V272 HydrophobicContact CG-CG1 4.29Å; E222-V273 VanDerWaalsContact CA-O 3.32Å; E222-V273 WeakPolarHBondContact CA-O 3.45Å; E222-S275 PolarHBondContact N-OG 3.24Å
223	A	94.6	Very high	94.9	Very high	1 Å²	1	50.2 Å²	50.2	1%	0.008	26%	0.264	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-135.6	154.1	171.5	0	0	0	0	0	110.9	H215 H216 V273	H215-A223 WeakPolarHBondContact NE2-CB 3.44Å; H216-A223 CarbonylContact O-C 3.56Å; H216-A223 WeakPolarHBondContact O-CA 3.44Å; A223-V273 PolarHBondContact N-O 2.89Å; A223-V273 WeakPolarHBondContact O-CG2 3.43Å; A223-V273 PolarHBondContact O-N 3.25Å
224	T	96.5	Very high	94.9	Very high	21 Å²	21	49.5 Å²	49.5	13%	0.129	26%	0.262	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-92.3	122.1	168.4	-52.8	0	0	0	0	109.6	H215 H216 I218 A270 V271	H215-T224 WeakPolarHBondContact CA-O 3.36Å; H216-T224 PolarHBondContact N-O 3.03Å; H216-T224 PolarHBondContact O-N 3.19Å; I218-T224 WeakPolarHBondContact CD1-OG1 3.26Å; T224-A270 HydrophobicContact CG2-CB 3.86Å; T224-V271 WeakPolarHBondContact CA-O 3.47Å
225	L	96.7	Very high	94.9	Very high	0 Å²	0	48.5 Å²	48.5	0%	0	26%	0.257	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-94	125.9	163	-65.8	-179.7	0	0	0	109.1	H215 W241 A270 V271 V273 E278 W298	H215-L225 HydrophobicContact CB-CD2 4Å; L225-W241 HydrophobicContact CB-CH2 3.52Å; L225-W241 HydrophobicContact CB-CZ2 3.87Å; L225-W241 HydrophobicContact CB-CZ3 4.4Å; L225-W241 HydrophobicContact CD1-CH2 4.04Å; L225-W241 HydrophobicContact CD1-CZ3 4.24Å; L225-W241 HydrophobicContact CG-CH2 4.43Å; L225-A270 CarbonylContact O-C 3.55Å; L225-A270 WeakPolarHBondContact O-CA 3.17Å; L225-V271 HydrophobicContact CB-CG1 4.3Å; L225-V271 PolarHBondContact N-O 3.42Å; L225-V271 PolarHBondContact O-N 3.02Å; L225-V273 HydrophobicContact CD1-CG1 3.98Å; L225-V273 HydrophobicContact CD1-CG2 3.97Å; L225-V273 HydrophobicContact CG-CG1 4.25Å; L225-V273 HydrophobicContact CG-CG2 3.84Å; L225-E278 HydrophobicContact CD1-CB 4.05Å; L225-E278 HydrophobicContact CD1-CG 4.39Å; L225-E278 HydrophobicContact CD2-CG 4.37Å; L225-W298 HydrophobicContact CD1-CB 4.39Å; L225-W298 HydrophobicContact CD2-CB 3.91Å; L225-W298 HydrophobicContact CD2-CD2 4.24Å; L225-W298 HydrophobicContact CD2-CG 3.83Å
226	R	97.3	Very high	95	Very high	50 Å²	50	52.6 Å²	52.6	19%	0.189	28%	0.276	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-122	122.3	175.9	-179.5	-177	-61.3	115.8	2.2	110.5	M213 T214 H216 W228 W268 A269 A270	M213-R226 CarbonylContact C-O 3.57Å; M213-R226 WeakPolarHBondContact CA-O 3.48Å; T214-R226 PolarHBondContact N-O 3.46Å; T214-R226 PolarHBondContact O-N 2.98Å; T214-R226 WeakPolarHBondContact OG1-CB 3.39Å; T214-R226 PolarHBondContact OG1-O 3.23Å; H216-R226 PolarHBondContact CE1-NH1 2.82Å; R226-W228 HydrophobicContact CG-CZ2 4.46Å; R226-W268 HydrophobicContact CG-CB 4.03Å; R226-W268 HydrophobicContact CG-CD2 4.15Å; R226-W268 HydrophobicContact CG-CE3 3.89Å; R226-W268 HydrophobicContact CG-CG 4.26Å; R226-A269 WeakPolarHBondContact CA-O 3.38Å; R226-A270 HydrophobicContact CB-CB 3.95Å; R226-A270 HydrophobicContact CG-CB 4.1Å
227	C	97.4	Very high	95.1	Very high	0 Å²	0	49 Å²	49	0%	0	26%	0.26	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-95	122.3	176	-175.3	0	0	0	0	109.4	W241 W268 A269 C283	C227-W241 HydrophobicContact CB-CZ2 3.75Å; C227-W268 CarbonylContact O-C 3.51Å; C227-W268 WeakPolarHBondContact O-CA 3.32Å; C227-W268 VanDerWaalsContact O-CB 3.24Å; C227-W268 WeakPolarHBondContact O-CB 3.39Å; C227-A269 PolarHBondContact N-O 3.41Å; C227-A269 PolarHBondContact O-N 3.44Å; C227-C283 HydrophobicContact CB-CB 3.52Å; C227-C283 WeakPolarHBondContact CB-SG 3.5Å; C227-C283 WeakPolarHBondContact SG-CB 3.38Å; C227-C283 CovalentContact SG-SG 2.03Å; C227-C283 PolarHBondContact SG-SG 3.36Å
228	W	98	Very high	95.3	Very high	47 Å²	47	46.8 Å²	46.8	18%	0.178	25%	0.245	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-105.9	141.7	-179.3	-69.6	89.3	0	0	0	110.8	T211 H212 T214 R226 L230 W268	T211-W228 WeakPolarHBondContact CA-O 3.46Å; T211-W228 WeakPolarHBondContact CB-O 3.07Å; H212-W228 AromaticContact CD2-CD1 3.93Å; H212-W228 WeakPolarHBondContact CE1-CB 3.21Å; H212-W228 AromaticContact CE1-CD1 3.87Å; H212-W228 AromaticContact CE1-CG 3.54Å; H212-W228 PolarHBondContact N-O 3.23Å; H212-W228 AromaticContact NE2-CD1 3.43Å; H212-W228 AromaticContact NE2-CG 3.58Å; H212-W228 PolarHBondContact O-N 3.25Å; T214-W228 PolarHBondContact OG1-NE1 2.89Å; R226-W228 HydrophobicContact CG-CZ2 4.46Å; W228-L230 HydrophobicContact CE3-CD2 3.94Å; W228-L230 HydrophobicContact CZ3-CD2 4.49Å; W228-W268 HydrophobicContact CD2-CB 3.92Å; W228-W268 HydrophobicContact CD2-CG 4.41Å; W228-W268 HydrophobicContact CE3-CB 3.84Å; W228-W268 AromaticContact CE3-CD1 3.82Å; W228-W268 HydrophobicContact CE3-CG 4.13Å; W228-W268 HydrophobicContact CG-CB 4.34Å; W228-W268 AromaticContact CH2-CD1 3.61Å; W228-W268 HydrophobicContact CH2-CG 4.23Å; W228-W268 HydrophobicContact CZ3-CB 4.27Å; W228-W268 AromaticContact CZ3-CD1 3.35Å; W228-W268 HydrophobicContact CZ3-CG 4.04Å
229	A	98.3	Very high	95.6	Very high	0 Å²	0	42.5 Å²	42.5	0%	0	22%	0.223	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-125.2	122.8	163.8	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 4.37Å; A229-F232 HydrophobicContact CB-CD1 4.1Å; A229-F232 HydrophobicContact CB-CE1 3.86Å; A229-F232 WeakPolarHBondContact O-CE1 3.4Å; A229-I237 HydrophobicContact CB-CD1 3.7Å; A229-L239 HydrophobicContact CB-CD1 4.07Å; A229-L239 HydrophobicContact CB-CD2 4.22Å; A229-Q266 VanDerWaalsContact O-CA 3.31Å; A229-Q266 WeakPolarHBondContact O-CA 3.33Å; A229-K267 PolarHBondContact N-O 2.93Å; A229-K267 PolarHBondContact O-N 3.49Å; A229-K267 VanDerWaalsContact O-O 3.07Å
230	L	98.1	Very high	95.8	Very high	54 Å²	54	41.8 Å²	41.8	28%	0.283	22%	0.216	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-130.5	149	-175.3	-59.1	179.2	0	0	0	111.2	K210 W228 F232 Q266	K210-L230 PolarHBondContact N-O 2.93Å; K210-L230 PolarHBondContact O-N 3.15Å; W228-L230 HydrophobicContact CE3-CD2 3.94Å; W228-L230 HydrophobicContact CZ3-CD2 4.49Å; L230-F232 PolarHBondContact O-N 3.24Å; L230-Q266 HydrophobicContact CD2-CB 3.52Å
231	G	97.3	Very high	96.3	Very high	24 Å²	24	34.7 Å²	34.7	25%	0.247	18%	0.178	C	C	.	.	E	Extended strand (participates in β ladder)	trans	68.3	32.9	167.6	0	0	0	0	0	113.8	F265	G231-F265 PolarHBondContact N-O 2.82Å
232	F	97.3	Very high	96.5	Very high	0 Å²	0	29.7 Å²	29.7	0%	0	16%	0.155	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-103.5	155.2	179.6	58.9	-89.5	0	0	0	112.6	D207 P209 A229 L230 P234 I237 T257 T264 F265 K267 H287	D207-F232 WeakPolarHBondContact O-CA 3.42Å; D207-F232 WeakPolarHBondContact O-CB 3.35Å; P209-F232 HydrophobicContact CB-CB 3.86Å; P209-F232 HydrophobicContact CB-CD1 3.89Å; P209-F232 HydrophobicContact CB-CG 4.14Å; A229-F232 HydrophobicContact CB-CD1 4.1Å; A229-F232 HydrophobicContact CB-CE1 3.86Å; A229-F232 WeakPolarHBondContact O-CE1 3.4Å; L230-F232 PolarHBondContact O-N 3.24Å; F232-P234 WeakPolarHBondContact CD2-O 2.84Å; F232-I237 HydrophobicContact CD1-CD1 3.9Å; F232-I237 HydrophobicContact CD2-CB 4.27Å; F232-I237 HydrophobicContact CD2-CD1 4.01Å; F232-I237 HydrophobicContact CE1-CD1 3.81Å; F232-I237 HydrophobicContact CE1-CG2 4.43Å; F232-I237 HydrophobicContact CE2-CB 3.75Å; F232-I237 HydrophobicContact CE2-CD1 3.94Å; F232-I237 HydrophobicContact CE2-CG1 4.43Å; F232-I237 HydrophobicContact CE2-CG2 3.57Å; F232-I237 HydrophobicContact CG-CD1 4.01Å; F232-I237 HydrophobicContact CZ-CB 4.13Å; F232-I237 HydrophobicContact CZ-CD1 3.86Å; F232-I237 HydrophobicContact CZ-CG2 3.53Å; F232-T257 HydrophobicContact CE2-CG2 4.09Å; F232-T257 HydrophobicContact CZ-CG2 3.93Å; F232-T264 WeakPolarHBondContact O-CA 3.25Å; F232-F265 VanDerWaalsContact CD1-O 3.31Å; F232-F265 WeakPolarHBondContact CD1-O 3.44Å; F232-F265 HydrophobicContact CD2-CB 3.93Å; F232-F265 HydrophobicContact CE1-CB 4.28Å; F232-F265 WeakPolarHBondContact CE1-O 3.5Å; F232-F265 HydrophobicContact CE2-CB 3.46Å; F232-F265 VanDerWaalsContact CE2-CB 3.46Å; F232-F265 HydrophobicContact CE2-CG 4.47Å; F232-F265 HydrophobicContact CG-CB 4.48Å; F232-F265 HydrophobicContact CZ-CB 3.65Å; F232-F265 PolarHBondContact N-O 3.17Å; F232-F265 PolarHBondContact O-N 3.47Å; F232-K267 HydrophobicContact CE1-CB 4.37Å; F232-K267 HydrophobicContact CZ-CB 4.11Å; F232-H287 AromaticContact CD2-CD2 3.86Å; F232-H287 AromaticContact CD2-NE2 3.69Å
233	Y	95.5	Very high	96.6	Very high	4 Å²	4	28.7 Å²	28.7	2%	0.016	15%	0.147	C	C	.	.	B	Isolated β-bridge	trans	-150.8	135.4	173.1	-180	-84.7	0	0	0	109	D54 T55 R205 T206 D207 G263 F265 H287	D54-Y233 HydrophobicContact CB-CE2 4.25Å; T55-Y233 PolarHBondContact OG1-OH 3.5Å; T55-Y233 VanDerWaalsContact OG1-OH 3.1Å; R205-Y233 HydrophobicContact CG-CD1 3.88Å; R205-Y233 HydrophobicContact CG-CE1 4.3Å; R205-Y233 VanDerWaalsContact O-CD1 3.29Å; R205-Y233 WeakPolarHBondContact O-CD1 3.38Å; T206-Y233 WeakPolarHBondContact CA-O 3.47Å; D207-Y233 PolarHBondContact N-O 2.82Å; D207-Y233 PolarHBondContact O-N 3.13Å; D207-Y233 VanDerWaalsContact O-N 3.08Å; Y233-G263 WeakPolarHBondContact CD2-O 3.33Å; Y233-F265 HydrophobicContact CD2-CD2 4.42Å; Y233-F265 AromaticContact CD2-CE2 3.95Å; Y233-F265 HydrophobicContact CD2-CE2 3.95Å; Y233-F265 HydrophobicContact CE2-CE2 4.39Å; Y233-H287 PolarHBondContact O-CE1 3.44Å; Y233-H287 VanDerWaalsContact O-CE1 3.24Å
234	P	94.7	Very high	96.5	Very high	21 Å²	21	33.4 Å²	33.4	14%	0.136	17%	0.172	C	C	.	.	S	Bend	cis	-73.1	178.8	3.2	31.2	-37.1	0	0	0	113.5	D54 F232 E236 H287	D54-P234 WeakPolarHBondContact OD2-CB 3.38Å; F232-P234 WeakPolarHBondContact CD2-O 2.84Å; P234-E236 VanDerWaalsContact C-N 3.31Å; P234-E236 PolarHBondContact O-N 3.25Å; P234-H287 PolarHBondContact O-NE2 2.82Å
235	A	95.6	Very high	96.2	Very high	13 Å²	13	34.8 Å²	34.8	11%	0.107	19%	0.191	C	C	.	.	S	Bend	trans	-69.5	-25.2	-175.5	0	0	0	0	0	113.8	D54 I237 T257 F265	D54-A235 HydrophobicContact CB-CB 4.28Å; D54-A235 VanDerWaalsContact OD2-CB 3.29Å; D54-A235 WeakPolarHBondContact OD2-CB 3.27Å; D54-A235 PolarHBondContact OD2-N 3.46Å; A235-I237 PolarHBondContact O-N 3.45Å; A235-T257 HydrophobicContact CB-CG2 4.26Å; A235-T257 WeakPolarHBondContact O-CG2 3.05Å; A235-F265 HydrophobicContact CB-CD1 3.7Å; A235-F265 HydrophobicContact CB-CD2 3.68Å; A235-F265 HydrophobicContact CB-CE1 3.69Å; A235-F265 HydrophobicContact CB-CE2 3.68Å; A235-F265 HydrophobicContact CB-CG 3.71Å; A235-F265 HydrophobicContact CB-CZ 3.72Å
236	E	95.2	Very high	96.1	Very high	142 Å²	142	41.6 Å²	41.6	66%	0.664	22%	0.223	S	C	*	.			trans	-64.4	116.4	179.7	-171.9	57.5	-144.6	0	0	110.3	P234 H287	P234-E236 VanDerWaalsContact C-N 3.31Å; P234-E236 PolarHBondContact O-N 3.25Å; E236-H287 PolarHBondContact O-CD2 2.85Å
237	I	95.8	Very high	95.9	Very high	10 Å²	10	43.9 Å²	43.9	5%	0.051	24%	0.238	C	C	.	.			trans	-152.2	141.7	-178.6	-164.3	171.5	0	0	0	109.5	P209 A229 F232 A235 L239 K267 V285 Q286 H287	P209-I237 HydrophobicContact CB-CD1 3.96Å; P209-I237 HydrophobicContact CG-CD1 4.01Å; A229-I237 HydrophobicContact CB-CD1 3.7Å; F232-I237 HydrophobicContact CD1-CD1 3.9Å; F232-I237 HydrophobicContact CD2-CB 4.27Å; F232-I237 HydrophobicContact CD2-CD1 4.01Å; F232-I237 HydrophobicContact CE1-CD1 3.81Å; F232-I237 HydrophobicContact CE1-CG2 4.43Å; F232-I237 HydrophobicContact CE2-CB 3.75Å; F232-I237 HydrophobicContact CE2-CD1 3.94Å; F232-I237 HydrophobicContact CE2-CG1 4.43Å; F232-I237 HydrophobicContact CE2-CG2 3.57Å; F232-I237 HydrophobicContact CG-CD1 4.01Å; F232-I237 HydrophobicContact CZ-CB 4.13Å; F232-I237 HydrophobicContact CZ-CD1 3.86Å; F232-I237 HydrophobicContact CZ-CG2 3.53Å; A235-I237 PolarHBondContact O-N 3.45Å; I237-L239 HydrophobicContact CB-CD1 4.49Å; I237-L239 HydrophobicContact CD1-CD1 3.66Å; I237-L239 HydrophobicContact CG1-CD1 3.66Å; I237-L239 HydrophobicContact CG2-CD1 4.12Å; I237-K267 HydrophobicContact CG2-CB 4.24Å; I237-K267 HydrophobicContact CG2-CD 3.58Å; I237-V285 HydrophobicContact CD1-CG1 4Å; I237-V285 HydrophobicContact CG1-CG1 4.33Å; I237-Q286 VanDerWaalsContact CG1-O 3.31Å; I237-Q286 WeakPolarHBondContact CG1-O 3.44Å; I237-H287 HydrophobicContact CD1-CB 4.33Å; I237-H287 HydrophobicContact CG1-CB 4.08Å
238	T	96.6	Very high	95.7	Very high	54 Å²	54	45 Å²	45	33%	0.331	24%	0.244	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-113.3	123	174.4	-62	0	0	0	0	110.2	T240 V285 Q286	T238-T240 HydrophobicContact CG2-CG2 3.96Å; T238-V285 WeakPolarHBondContact O-CA 3.23Å; T238-Q286 PolarHBondContact N-O 2.67Å; T238-Q286 PolarHBondContact O-N 2.85Å
239	L	97.1	Very high	95.3	Very high	7 Å²	7	47.9 Å²	47.9	4%	0.037	27%	0.267	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-117	122.5	172.1	-86.7	62.5	0	0	0	108.5	A229 I237 L254 K267 A269 H284 V285	A229-L239 HydrophobicContact CB-CD1 4.07Å; A229-L239 HydrophobicContact CB-CD2 4.22Å; I237-L239 HydrophobicContact CB-CD1 4.49Å; I237-L239 HydrophobicContact CD1-CD1 3.66Å; I237-L239 HydrophobicContact CG1-CD1 3.66Å; I237-L239 HydrophobicContact CG2-CD1 4.12Å; L239-L254 HydrophobicContact CB-CD1 4.16Å; L239-K267 HydrophobicContact CD1-CD 4.29Å; L239-K267 HydrophobicContact CD2-CB 4.41Å; L239-K267 HydrophobicContact CD2-CG 4.44Å; L239-A269 HydrophobicContact CB-CB 4.06Å; L239-A269 HydrophobicContact CD2-CB 4.26Å; L239-H284 WeakPolarHBondContact CA-O 3.44Å; L239-V285 HydrophobicContact CD1-CG1 4.06Å; L239-V285 HydrophobicContact CG-CG2 4.29Å
240	T	96.3	Very high	94.8	Very high	41 Å²	41	57 Å²	57	25%	0.252	31%	0.309	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-131.6	149.3	175.9	61	0	0	0	0	111.6	T238 C283 H284	T238-T240 HydrophobicContact CG2-CG2 3.96Å; T240-C283 CarbonylContact O-C 3.55Å; T240-C283 WeakPolarHBondContact O-CA 3.04Å; T240-H284 PolarHBondContact N-O 3.35Å; T240-H284 PolarHBondContact O-N 2.9Å
241	W	97.1	Very high	94.2	Very high	2 Å²	2	59.7 Å²	59.7	1%	0.008	32%	0.324	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-104.5	137.7	170.8	-81.9	103.5	0	0	0	110.3	M213 L225 C227 Q248 A269 V271 T282 C283	M213-W241 HydrophobicContact CE-CH2 3.11Å; M213-W241 HydrophobicContact CE-CZ2 4.06Å; M213-W241 HydrophobicContact CE-CZ3 3.55Å; L225-W241 HydrophobicContact CB-CH2 3.52Å; L225-W241 HydrophobicContact CB-CZ2 3.87Å; L225-W241 HydrophobicContact CB-CZ3 4.4Å; L225-W241 HydrophobicContact CD1-CH2 4.04Å; L225-W241 HydrophobicContact CD1-CZ3 4.24Å; L225-W241 HydrophobicContact CG-CH2 4.43Å; C227-W241 HydrophobicContact CB-CZ2 3.75Å; W241-Q248 HydrophobicContact CB-CB 4.19Å; W241-Q248 PolarHBondContact O-N 3.33Å; W241-A269 VanDerWaalsContact NE1-C 3.32Å; W241-A269 PolarHBondContact NE1-O 3.06Å; W241-V271 HydrophobicContact CD2-CB 4.39Å; W241-V271 HydrophobicContact CD2-CG1 3.6Å; W241-V271 HydrophobicContact CE3-CG1 3.87Å; W241-V271 HydrophobicContact CG-CB 4.23Å; W241-V271 HydrophobicContact CG-CG1 3.94Å; W241-V271 HydrophobicContact CH2-CG1 4.25Å; W241-V271 HydrophobicContact CZ2-CG1 4.07Å; W241-V271 HydrophobicContact CZ3-CG1 4.2Å; W241-T282 WeakPolarHBondContact CA-O 3.45Å; W241-C283 HydrophobicContact CD2-CB 4.24Å; W241-C283 HydrophobicContact CE3-CB 4.18Å; W241-C283 HydrophobicContact CH2-CB 4.21Å; W241-C283 HydrophobicContact CZ2-CB 4.21Å; W241-C283 HydrophobicContact CZ3-CB 4.16Å
242	Q	96.6	Very high	94	Very high	42 Å²	42	59.7 Å²	59.7	20%	0.196	32%	0.319	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-124.5	144.7	171.9	-69.3	-174.9	-7.8	0	0	110.4	E246 D247 Y281 T282 H284	Q242-E246 CarbonylContact C-O 3.55Å; Q242-E246 VanDerWaalsContact CA-O 3.24Å; Q242-E246 WeakPolarHBondContact CA-O 3.39Å; Q242-D247 WeakPolarHBondContact CG-OD1 3.04Å; Q242-D247 PolarHBondContact NE2-OD1 2.82Å; Q242-Y281 CarbonylContact O-C 3.58Å; Q242-Y281 VanDerWaalsContact O-CA 3.26Å; Q242-Y281 WeakPolarHBondContact O-CA 3.36Å; Q242-T282 PolarHBondContact N-O 3.33Å; Q242-T282 PolarHBondContact O-N 3.07Å; Q242-H284 PolarHBondContact OE1-NE2 2.84Å; Q242-H284 VanDerWaalsContact OE1-NE2 3.16Å
243	R	96.2	Very high	94	Very high	70 Å²	70	65 Å²	65	26%	0.264	34%	0.344	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-116.2	117.3	168.4	-176.5	-174.2	-176.6	179.1	-1.8	108.1	G245 E246 Q248 E277 R280 Y281	R243-G245 PolarHBondContact O-N 3.07Å; R243-E246 PolarHBondContact N-O 3.04Å; R243-E246 PolarHBondContact O-N 3.48Å; R243-Q248 HydrophobicContact CB-CG 3.94Å; R243-E277 IonicContact CZ-OE2 3.95Å; R243-E277 IonicContact NE-OE2 2.69Å; R243-E277 IonicContact NH2-OE1 2.67Å; R243-E277 IonicContact NH2-OE2 3.5Å; R243-E277 PolarHBondContact NH2-OE2 2.87Å; R243-R280 WeakPolarHBondContact CA-O 3.31Å; R243-R280 HydrophobicContact CG-CB 4.37Å; R243-Y281 HydrophobicContact CB-CD1 4.06Å; R243-Y281 HydrophobicContact CB-CE1 3.86Å; R243-Y281 WeakPolarHBondContact CD-OH 3.31Å; R243-Y281 HydrophobicContact CG-CD1 4.41Å; R243-Y281 HydrophobicContact CG-CE1 4.01Å; R243-Y281 HydrophobicContact CG-CE2 4.2Å; R243-Y281 PolarHBondContact NE-OH 2.85Å
244	D	93.4	Very high	94	Very high	100 Å²	100	69.1 Å²	69.1	54%	0.535	37%	0.366	S	S	.	.	T	Hydrogen-bonded Turn	trans	49.9	29	-175.1	-54.7	-48.6	0	0	0	114.4	R280	D244-R280 PolarHBondContact N-O 2.9Å; D244-R280 IonicContact OD1-NE 3.7Å; D244-R280 PolarHBondContact OD1-NE 3.38Å; D244-R280 IonicContact OD2-CZ 3.51Å; D244-R280 IonicContact OD2-NE 3.81Å; D244-R280 PolarHBondContact OD2-NE 2.79Å; D244-R280 IonicContact OD2-NH2 3.73Å; D244-R280 PolarHBondContact OD2-NH2 2.91Å
245	G	89.6	Confident	94	Very high	50 Å²	50	69.7 Å²	69.7	52%	0.515	37%	0.369	S	S	.	.	T	Hydrogen-bonded Turn	trans	91.6	-0.8	-177.8	0	0	0	0	0	115.5	R243	R243-G245 PolarHBondContact O-N 3.07Å
246	E	94.3	Very high	94	Very high	143 Å²	143	77.3 Å²	77.3	67%	0.668	40%	0.402	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-97.5	127.8	175.5	-63.3	-173.3	169.7	0	0	111.6	Q242 R243 Q248	Q242-E246 CarbonylContact C-O 3.55Å; Q242-E246 VanDerWaalsContact CA-O 3.24Å; Q242-E246 WeakPolarHBondContact CA-O 3.39Å; R243-E246 PolarHBondContact N-O 3.04Å; R243-E246 PolarHBondContact O-N 3.48Å; E246-Q248 PolarHBondContact O-NE2 2.86Å
247	D	94	Very high	94.1	Very high	97 Å²	97	72.7 Å²	72.7	52%	0.519	38%	0.384	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-62.8	133.9	-179.1	-69	-27	0	0	0	112.3	Q242	Q242-D247 WeakPolarHBondContact CG-OD1 3.04Å; Q242-D247 PolarHBondContact NE2-OD1 2.82Å
248	Q	93.9	Very high	94.1	Very high	25 Å²	25	77 Å²	77	12%	0.117	40%	0.4	C	S	.	.			trans	-105.4	38.3	-177.2	-57.7	-60.2	-68.6	0	0	112.1	W241 R243 E246 Q250 D251 T252 Y281	W241-Q248 HydrophobicContact CB-CB 4.19Å; W241-Q248 PolarHBondContact O-N 3.33Å; R243-Q248 HydrophobicContact CB-CG 3.94Å; E246-Q248 PolarHBondContact O-NE2 2.86Å; Q248-Q250 VanDerWaalsContact C-N 3.31Å; Q248-Q250 PolarHBondContact O-N 2.9Å; Q248-D251 PolarHBondContact O-N 2.96Å; Q248-T252 WeakPolarHBondContact O-CB 3.36Å; Q248-T252 PolarHBondContact O-N 3.04Å; Q248-T252 VanDerWaalsContact O-N 3.08Å; Q248-T252 PolarHBondContact O-OG1 2.82Å; Q248-Y281 HydrophobicContact CG-CE1 4.44Å
249	T	87.6	Confident	94.1	Very high	107 Å²	107	78.9 Å²	78.9	66%	0.656	41%	0.413	S	S	*	.	T	Hydrogen-bonded Turn	trans	-58.8	-36.5	-169.4	-48.8	0	0	0	0	113.9
250	Q	87.9	Confident	94	Very high	191 Å²	191	81 Å²	81	89%	0.893	43%	0.43	S	S	*	.	T	Hydrogen-bonded Turn	trans	-76.1	-31.4	-178.2	-66.5	-173.7	2.9	0	0	113	Q248 T252	Q248-Q250 VanDerWaalsContact C-N 3.31Å; Q248-Q250 PolarHBondContact O-N 2.9Å; Q250-T252 VanDerWaalsContact C-N 3.34Å
251	D	86.1	Confident	93.8	Very high	110 Å²	110	82.7 Å²	82.7	59%	0.588	46%	0.456	S	S	*	.	T	Hydrogen-bonded Turn	trans	-93.5	0.2	-178	-56	-55.1	0	0	0	112.4	Q248	Q248-D251 PolarHBondContact O-N 2.96Å
252	T	93.8	Very high	93.6	Very high	24 Å²	24	87.9 Å²	87.9	15%	0.147	48%	0.484	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-93.6	120.7	179.4	-64.2	0	0	0	0	110.9	Q248 Q250 L254 A269 A270	Q248-T252 WeakPolarHBondContact O-CB 3.36Å; Q248-T252 PolarHBondContact O-N 3.04Å; Q248-T252 VanDerWaalsContact O-N 3.08Å; Q248-T252 PolarHBondContact O-OG1 2.82Å; Q250-T252 VanDerWaalsContact C-N 3.34Å; T252-L254 HydrophobicContact CG2-CB 4.34Å; T252-L254 PolarHBondContact O-N 2.81Å; T252-A269 HydrophobicContact CG2-CB 3.97Å; T252-A270 CarbonylContact C-O 3.56Å; T252-A270 VanDerWaalsContact CA-O 3.32Å; T252-A270 WeakPolarHBondContact CA-O 3.17Å
253	E	95.9	Very high	93.3	Very high	113 Å²	113	87.8 Å²	87.8	53%	0.528	49%	0.494	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-76.9	106.5	162.8	-173.8	-174.1	-169.3	0	0	108.9	W268 A269 A270	E253-W268 HydrophobicContact CB-CZ3 4.25Å; E253-W268 HydrophobicContact CG-CH2 3.9Å; E253-W268 HydrophobicContact CG-CZ3 3.83Å; E253-W268 WeakPolarHBondContact OE1-CH2 3.5Å; E253-W268 WeakPolarHBondContact OE2-CH2 3.38Å; E253-A269 CarbonylContact O-C 3.55Å; E253-A269 WeakPolarHBondContact O-CA 3.44Å; E253-A270 HydrophobicContact CB-CB 4.38Å; E253-A270 PolarHBondContact N-O 3.07Å; E253-A270 PolarHBondContact O-N 3.09Å
254	L	95.9	Very high	93.3	Very high	90 Å²	90	85.1 Å²	85.1	47%	0.471	49%	0.486	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-111.9	119.8	178.4	-174.6	68.1	0	0	0	109.9	L239 T252 K267 A269	L239-L254 HydrophobicContact CB-CD1 4.16Å; T252-L254 HydrophobicContact CG2-CB 4.34Å; T252-L254 PolarHBondContact O-N 2.81Å; L254-K267 HydrophobicContact CD1-CD 4.48Å; L254-A269 HydrophobicContact CD1-CB 3.64Å
255	V	95.7	Very high	93.5	Very high	33 Å²	33	81.5 Å²	81.5	20%	0.2	47%	0.465	C	S	.	.	P	Polyproline II helix	trans	-84.1	153.1	174.4	-65	0	0	0	0	112.2	K267 W268	V255-K267 HydrophobicContact CG2-CG 4.43Å; V255-K267 VanDerWaalsContact O-CE 3.3Å; V255-K267 WeakPolarHBondContact O-CE 2.9Å; V255-K267 WeakPolarHBondContact O-CG 3.45Å; V255-K267 PolarHBondContact O-NZ 3.24Å; V255-W268 HydrophobicContact CB-CZ2 4.39Å; V255-W268 HydrophobicContact CG1-CD2 3.99Å; V255-W268 HydrophobicContact CG1-CE3 4.3Å; V255-W268 HydrophobicContact CG1-CH2 3.57Å; V255-W268 HydrophobicContact CG1-CZ2 3.17Å; V255-W268 HydrophobicContact CG1-CZ3 4.1Å; V255-W268 HydrophobicContact CG2-CD2 3.75Å; V255-W268 HydrophobicContact CG2-CE3 4.47Å; V255-W268 HydrophobicContact CG2-CG 3.74Å; V255-W268 HydrophobicContact CG2-CZ2 4.37Å; V255-W268 WeakPolarHBondContact CG2-O 3.4Å; V255-W268 PolarHBondContact N-O 2.92Å
256	E	95.4	Very high	93.9	Very high	173 Å²	173	81.2 Å²	81.2	81%	0.808	45%	0.451	S	S	*	.	P	Polyproline II helix	trans	-57.6	149.4	167.6	-67.9	-175.3	174.4	0	0	111.3	R258	E256-R258 PolarHBondContact O-N 3.3Å
257	T	96.8	Very high	94.1	Very high	45 Å²	45	75.4 Å²	75.4	28%	0.276	42%	0.423	S	S	.	.	P	Polyproline II helix	trans	-68.8	129.1	174.5	-56.7	0	0	0	0	108.3	F232 A235 F265 K267	F232-T257 HydrophobicContact CE2-CG2 4.09Å; F232-T257 HydrophobicContact CZ-CG2 3.93Å; A235-T257 HydrophobicContact CB-CG2 4.26Å; A235-T257 WeakPolarHBondContact O-CG2 3.05Å; T257-F265 HydrophobicContact CG2-CB 3.79Å; T257-F265 HydrophobicContact CG2-CD1 3.92Å; T257-F265 HydrophobicContact CG2-CG 4.13Å; T257-K267 WeakPolarHBondContact OG1-CD 3.47Å; T257-K267 PolarHBondContact OG1-NZ 3.23Å; T257-K267 VanDerWaalsContact OG1-NZ 3.16Å
258	R	96.2	Very high	94.3	Very high	101 Å²	101	72 Å²	72	38%	0.381	40%	0.403	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-125.5	145.1	-175	67.9	-170.1	-179.4	179.5	5	111.4	E256 F265 Q266	E256-R258 PolarHBondContact O-N 3.3Å; R258-F265 WeakPolarHBondContact O-CA 3.2Å; R258-Q266 HydrophobicContact CG-CG 3.56Å; R258-Q266 PolarHBondContact N-O 3.29Å; R258-Q266 WeakPolarHBondContact O-CG 3.26Å; R258-Q266 PolarHBondContact O-N 3.43Å
259	P	96.4	Very high	94.5	Very high	93 Å²	93	70.9 Å²	70.9	60%	0.604	40%	0.398	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-68.7	145.2	178	28.6	-34.5	0	0	0	111.1	F265	P259-F265 HydrophobicContact CB-CE1 4.27Å
260	A	95.8	Very high	94.9	Very high	50 Å²	50	65.9 Å²	65.9	41%	0.413	37%	0.367	S	S	.	.			trans	-88.7	-17.8	173.3	0	0	0	0	0	113	T264	A260-T264 WeakPolarHBondContact CB-O 3.49Å; A260-T264 PolarHBondContact N-O 3.24Å
261	G	92	Very high	95.4	Very high	77 Å²	77	56.9 Å²	56.9	79%	0.794	33%	0.325	S	S	*	.	S	Bend	trans	97.3	-7.5	179	0	0	0	0	0	114.9
262	D	92.1	Very high	95.9	Very high	112 Å²	112	55 Å²	55	60%	0.599	32%	0.318	S	S	*	.	S	Bend	trans	-105.4	13.5	176.5	61.7	-1	0	0	0	113	T264	D262-T264 WeakPolarHBondContact OD1-CB 3.32Å; D262-T264 PolarHBondContact OD1-N 2.75Å; D262-T264 PolarHBondContact OD1-OG1 2.04Å
263	G	90.8	Very high	96	Very high	39 Å²	39	53.8 Å²	53.8	40%	0.402	31%	0.311	S	S	.	.	S	Bend	trans	84.9	5.4	-173.7	0	0	0	0	0	114.4	Y233	Y233-G263 WeakPolarHBondContact CD2-O 3.33Å
264	T	96.3	Very high	96	Very high	15 Å²	15	50.5 Å²	50.5	9%	0.092	30%	0.299	C	S	.	.			trans	-108.7	172	171.8	73.9	0	0	0	0	112.2	F232 A260 D262	F232-T264 WeakPolarHBondContact O-CA 3.25Å; A260-T264 WeakPolarHBondContact CB-O 3.49Å; A260-T264 PolarHBondContact N-O 3.24Å; D262-T264 WeakPolarHBondContact OD1-CB 3.32Å; D262-T264 PolarHBondContact OD1-N 2.75Å; D262-T264 PolarHBondContact OD1-OG1 2.04Å
265	F	97.8	Very high	95.7	Very high	23 Å²	23	48.9 Å²	48.9	10%	0.101	30%	0.295	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-120.4	162.3	-177.7	-63.7	-86.1	0	0	0	112.4	D54 G231 F232 Y233 A235 T257 R258 P259	D54-F265 HydrophobicContact CB-CE2 3.81Å; D54-F265 HydrophobicContact CB-CZ 3.64Å; G231-F265 PolarHBondContact N-O 2.82Å; F232-F265 VanDerWaalsContact CD1-O 3.31Å; F232-F265 WeakPolarHBondContact CD1-O 3.44Å; F232-F265 HydrophobicContact CD2-CB 3.93Å; F232-F265 HydrophobicContact CE1-CB 4.28Å; F232-F265 WeakPolarHBondContact CE1-O 3.5Å; F232-F265 HydrophobicContact CE2-CB 3.46Å; F232-F265 VanDerWaalsContact CE2-CB 3.46Å; F232-F265 HydrophobicContact CE2-CG 4.47Å; F232-F265 HydrophobicContact CG-CB 4.48Å; F232-F265 HydrophobicContact CZ-CB 3.65Å; F232-F265 PolarHBondContact N-O 3.17Å; F232-F265 PolarHBondContact O-N 3.47Å; Y233-F265 HydrophobicContact CD2-CD2 4.42Å; Y233-F265 AromaticContact CD2-CE2 3.95Å; Y233-F265 HydrophobicContact CD2-CE2 3.95Å; Y233-F265 HydrophobicContact CE2-CE2 4.39Å; A235-F265 HydrophobicContact CB-CD1 3.7Å; A235-F265 HydrophobicContact CB-CD2 3.68Å; A235-F265 HydrophobicContact CB-CE1 3.69Å; A235-F265 HydrophobicContact CB-CE2 3.68Å; A235-F265 HydrophobicContact CB-CG 3.71Å; A235-F265 HydrophobicContact CB-CZ 3.72Å; T257-F265 HydrophobicContact CG2-CB 3.79Å; T257-F265 HydrophobicContact CG2-CD1 3.92Å; T257-F265 HydrophobicContact CG2-CG 4.13Å; R258-F265 WeakPolarHBondContact O-CA 3.2Å; P259-F265 HydrophobicContact CB-CE1 4.27Å
266	Q	97.9	Very high	95.4	Very high	44 Å²	44	50.4 Å²	50.4	21%	0.206	32%	0.317	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-140.8	146	174.4	46.8	169.5	-26.2	0	0	110.2	A229 L230 R258	A229-Q266 VanDerWaalsContact O-CA 3.31Å; A229-Q266 WeakPolarHBondContact O-CA 3.33Å; L230-Q266 HydrophobicContact CD2-CB 3.52Å; R258-Q266 HydrophobicContact CG-CG 3.56Å; R258-Q266 PolarHBondContact N-O 3.29Å; R258-Q266 WeakPolarHBondContact O-CG 3.26Å; R258-Q266 PolarHBondContact O-N 3.43Å
267	K	98.4	Very high	95.3	Very high	21 Å²	21	44.7 Å²	44.7	9%	0.091	29%	0.291	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-151	153.8	177.1	-162.2	-176.6	-171.4	70.3	0	109.1	A229 F232 I237 L239 L254 V255 T257	A229-K267 PolarHBondContact N-O 2.93Å; A229-K267 PolarHBondContact O-N 3.49Å; A229-K267 VanDerWaalsContact O-O 3.07Å; F232-K267 HydrophobicContact CE1-CB 4.37Å; F232-K267 HydrophobicContact CZ-CB 4.11Å; I237-K267 HydrophobicContact CG2-CB 4.24Å; I237-K267 HydrophobicContact CG2-CD 3.58Å; L239-K267 HydrophobicContact CD1-CD 4.29Å; L239-K267 HydrophobicContact CD2-CB 4.41Å; L239-K267 HydrophobicContact CD2-CG 4.44Å; L254-K267 HydrophobicContact CD1-CD 4.48Å; V255-K267 HydrophobicContact CG2-CG 4.43Å; V255-K267 VanDerWaalsContact O-CE 3.3Å; V255-K267 WeakPolarHBondContact O-CE 2.9Å; V255-K267 WeakPolarHBondContact O-CG 3.45Å; V255-K267 PolarHBondContact O-NZ 3.24Å; T257-K267 WeakPolarHBondContact OG1-CD 3.47Å; T257-K267 PolarHBondContact OG1-NZ 3.23Å; T257-K267 VanDerWaalsContact OG1-NZ 3.16Å
268	W	97.9	Very high	95.1	Very high	27 Å²	27	43.4 Å²	43.4	10%	0.102	28%	0.282	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-143.3	157	169.5	58.9	-98.2	0	0	0	111.4	R226 C227 W228 E253 V255 A270	R226-W268 HydrophobicContact CG-CB 4.03Å; R226-W268 HydrophobicContact CG-CD2 4.15Å; R226-W268 HydrophobicContact CG-CE3 3.89Å; R226-W268 HydrophobicContact CG-CG 4.26Å; C227-W268 CarbonylContact O-C 3.51Å; C227-W268 WeakPolarHBondContact O-CA 3.32Å; C227-W268 VanDerWaalsContact O-CB 3.24Å; C227-W268 WeakPolarHBondContact O-CB 3.39Å; W228-W268 HydrophobicContact CD2-CB 3.92Å; W228-W268 HydrophobicContact CD2-CG 4.41Å; W228-W268 HydrophobicContact CE3-CB 3.84Å; W228-W268 AromaticContact CE3-CD1 3.82Å; W228-W268 HydrophobicContact CE3-CG 4.13Å; W228-W268 HydrophobicContact CG-CB 4.34Å; W228-W268 AromaticContact CH2-CD1 3.61Å; W228-W268 HydrophobicContact CH2-CG 4.23Å; W228-W268 HydrophobicContact CZ3-CB 4.27Å; W228-W268 AromaticContact CZ3-CD1 3.35Å; W228-W268 HydrophobicContact CZ3-CG 4.04Å; E253-W268 HydrophobicContact CB-CZ3 4.25Å; E253-W268 HydrophobicContact CG-CH2 3.9Å; E253-W268 HydrophobicContact CG-CZ3 3.83Å; E253-W268 WeakPolarHBondContact OE1-CH2 3.5Å; E253-W268 WeakPolarHBondContact OE2-CH2 3.38Å; V255-W268 HydrophobicContact CB-CZ2 4.39Å; V255-W268 HydrophobicContact CG1-CD2 3.99Å; V255-W268 HydrophobicContact CG1-CE3 4.3Å; V255-W268 HydrophobicContact CG1-CH2 3.57Å; V255-W268 HydrophobicContact CG1-CZ2 3.17Å; V255-W268 HydrophobicContact CG1-CZ3 4.1Å; V255-W268 HydrophobicContact CG2-CD2 3.75Å; V255-W268 HydrophobicContact CG2-CE3 4.47Å; V255-W268 HydrophobicContact CG2-CG 3.74Å; V255-W268 HydrophobicContact CG2-CZ2 4.37Å; V255-W268 WeakPolarHBondContact CG2-O 3.4Å; V255-W268 PolarHBondContact N-O 2.92Å; W268-A270 HydrophobicContact CE3-CB 3.97Å; W268-A270 HydrophobicContact CZ3-CB 3.68Å
269	A	97.8	Very high	94.9	Very high	0 Å²	0	43.1 Å²	43.1	0%	0	28%	0.284	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-130.6	132.2	174.3	0	0	0	0	0	108.6	R226 C227 L239 W241 T252 E253 L254	R226-A269 WeakPolarHBondContact CA-O 3.38Å; C227-A269 PolarHBondContact N-O 3.41Å; C227-A269 PolarHBondContact O-N 3.44Å; L239-A269 HydrophobicContact CB-CB 4.06Å; L239-A269 HydrophobicContact CD2-CB 4.26Å; W241-A269 VanDerWaalsContact NE1-C 3.32Å; W241-A269 PolarHBondContact NE1-O 3.06Å; T252-A269 HydrophobicContact CG2-CB 3.97Å; E253-A269 CarbonylContact O-C 3.55Å; E253-A269 WeakPolarHBondContact O-CA 3.44Å; L254-A269 HydrophobicContact CD1-CB 3.64Å
270	A	97.2	Very high	94.8	Very high	2 Å²	2	43.4 Å²	43.4	2%	0.017	27%	0.274	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-124.6	146.9	-179.9	0	0	0	0	0	112	T224 L225 R226 T252 E253 W268	T224-A270 HydrophobicContact CG2-CB 3.86Å; L225-A270 CarbonylContact O-C 3.55Å; L225-A270 WeakPolarHBondContact O-CA 3.17Å; R226-A270 HydrophobicContact CB-CB 3.95Å; R226-A270 HydrophobicContact CG-CB 4.1Å; T252-A270 CarbonylContact C-O 3.56Å; T252-A270 VanDerWaalsContact CA-O 3.32Å; T252-A270 WeakPolarHBondContact CA-O 3.17Å; E253-A270 HydrophobicContact CB-CB 4.38Å; E253-A270 PolarHBondContact N-O 3.07Å; E253-A270 PolarHBondContact O-N 3.09Å; W268-A270 HydrophobicContact CE3-CB 3.97Å; W268-A270 HydrophobicContact CZ3-CB 3.68Å
271	V	97.1	Very high	94.8	Very high	2 Å²	2	41.4 Å²	41.4	1%	0.012	26%	0.255	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-136.5	142.4	175.8	63.2	0	0	0	0	109	T224 L225 W241 V273 Y281	T224-V271 WeakPolarHBondContact CA-O 3.47Å; L225-V271 HydrophobicContact CB-CG1 4.3Å; L225-V271 PolarHBondContact N-O 3.42Å; L225-V271 PolarHBondContact O-N 3.02Å; W241-V271 HydrophobicContact CD2-CB 4.39Å; W241-V271 HydrophobicContact CD2-CG1 3.6Å; W241-V271 HydrophobicContact CE3-CG1 3.87Å; W241-V271 HydrophobicContact CG-CB 4.23Å; W241-V271 HydrophobicContact CG-CG1 3.94Å; W241-V271 HydrophobicContact CH2-CG1 4.25Å; W241-V271 HydrophobicContact CZ2-CG1 4.07Å; W241-V271 HydrophobicContact CZ3-CG1 4.2Å; V271-V273 HydrophobicContact CG1-CG1 3.76Å; V271-V273 HydrophobicContact CG2-CG1 4.42Å; V271-Y281 HydrophobicContact CG1-CD1 4.1Å; V271-Y281 HydrophobicContact CG2-CD1 4.45Å; V271-Y281 HydrophobicContact CG2-CE1 4.17Å
272	V	96.8	Very high	95	Very high	70 Å²	70	38.2 Å²	38.2	42%	0.424	22%	0.22	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-85.1	127.1	171.2	180	0	0	0	0	108.1	I218 E222	I218-V272 HydrophobicContact CD1-CG1 4.07Å; I218-V272 HydrophobicContact CD1-CG2 4.11Å; E222-V272 HydrophobicContact CB-CG1 4.08Å; E222-V272 HydrophobicContact CG-CG1 4.29Å
273	V	95.6	Very high	95.3	Very high	0 Å²	0	32.9 Å²	32.9	0%	0	19%	0.192	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-125.8	144.7	-176.2	-53.1	0	0	0	0	110.6	E222 A223 L225 V271 E278 Y281	E222-V273 VanDerWaalsContact CA-O 3.32Å; E222-V273 WeakPolarHBondContact CA-O 3.45Å; A223-V273 PolarHBondContact N-O 2.89Å; A223-V273 WeakPolarHBondContact O-CG2 3.43Å; A223-V273 PolarHBondContact O-N 3.25Å; L225-V273 HydrophobicContact CD1-CG1 3.98Å; L225-V273 HydrophobicContact CD1-CG2 3.97Å; L225-V273 HydrophobicContact CG-CG1 4.25Å; L225-V273 HydrophobicContact CG-CG2 3.84Å; V271-V273 HydrophobicContact CG1-CG1 3.76Å; V271-V273 HydrophobicContact CG2-CG1 4.42Å; V273-E278 HydrophobicContact CG2-CG 3.91Å; V273-Y281 HydrophobicContact CB-CD2 3.98Å; V273-Y281 HydrophobicContact CB-CE2 3.66Å; V273-Y281 HydrophobicContact CG1-CD1 3.72Å; V273-Y281 HydrophobicContact CG1-CD2 3.56Å; V273-Y281 HydrophobicContact CG1-CE1 3.67Å; V273-Y281 HydrophobicContact CG1-CE2 3.53Å; V273-Y281 HydrophobicContact CG1-CG 3.66Å
274	P	95.3	Very high	95.5	Very high	43 Å²	43	32.6 Å²	32.6	28%	0.279	18%	0.18	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-62.5	140.2	170	-20.7	32.5	0	0	0	111.2	H221 G276 E277	H221-P274 CarbonylContact O-C 3.53Å; H221-P274 WeakPolarHBondContact O-CA 3.41Å; P274-G276 PolarHBondContact O-N 2.97Å; P274-E277 HydrophobicContact CB-CB 4.29Å; P274-E277 HydrophobicContact CB-CG 4.12Å; P274-E277 WeakPolarHBondContact O-CB 3.45Å; P274-E277 PolarHBondContact O-N 3.43Å
275	S	90.8	Very high	95.6	Very high	56 Å²	56	31.9 Å²	31.9	39%	0.392	18%	0.176	S	C	.	.	T	Hydrogen-bonded Turn	trans	-59.1	129	176.7	-62.7	0	0	0	0	111.2	H221 E222 E277 E278	H221-S275 PolarHBondContact O-N 3.18Å; H221-S275 PolarHBondContact O-OG 2.87Å; E222-S275 PolarHBondContact N-OG 3.24Å; S275-E277 VanDerWaalsContact C-N 3.34Å; S275-E278 WeakPolarHBondContact CA-OE1 3.22Å
276	G	88.8	Confident	95.5	Very high	65 Å²	65	34 Å²	34	67%	0.67	19%	0.186	S	C	*	.	T	Hydrogen-bonded Turn	trans	89	-7.7	-176.5	0	0	0	0	0	114.7	P274 E278	P274-G276 PolarHBondContact O-N 2.97Å; G276-E278 WeakPolarHBondContact CA-OE2 3.26Å; G276-E278 VanDerWaalsContact N-CD 3.3Å; G276-E278 PolarHBondContact N-OE1 2.93Å; G276-E278 PolarHBondContact N-OE2 3.06Å
277	E	93.4	Very high	95.4	Very high	53 Å²	53	32.7 Å²	32.7	25%	0.248	18%	0.18	C	C	.	.			trans	-99.1	3.8	175.6	-66.2	-159.5	-154.3	0	0	113.7	R243 P274 S275 Q279 R280 Y281	R243-E277 IonicContact CZ-OE2 3.95Å; R243-E277 IonicContact NE-OE2 2.69Å; R243-E277 IonicContact NH2-OE1 2.67Å; R243-E277 IonicContact NH2-OE2 3.5Å; R243-E277 PolarHBondContact NH2-OE2 2.87Å; P274-E277 HydrophobicContact CB-CB 4.29Å; P274-E277 HydrophobicContact CB-CG 4.12Å; P274-E277 WeakPolarHBondContact O-CB 3.45Å; P274-E277 PolarHBondContact O-N 3.43Å; S275-E277 VanDerWaalsContact C-N 3.34Å; E277-Q279 PolarHBondContact O-N 3.47Å; E277-R280 WeakPolarHBondContact O-CB 3.42Å; E277-R280 PolarHBondContact O-N 2.92Å; E277-R280 IonicContact OE1-NH1 2.71Å; E277-R280 IonicContact OE2-CZ 3.74Å; E277-R280 IonicContact OE2-NE 2.72Å; E277-R280 IonicContact OE2-NH1 3.09Å; E277-R280 PolarHBondContact OE2-NH1 3.37Å; E277-Y281 HydrophobicContact CB-CE2 4.3Å; E277-Y281 VanDerWaalsContact O-CD2 3.31Å; E277-Y281 WeakPolarHBondContact O-CD2 3.45Å
278	E	92.8	Very high	95.1	Very high	19 Å²	19	36 Å²	36	9%	0.089	20%	0.196	C	C	.	.	G	3₁₀ helix	trans	-56.8	-33	-171.9	-58.5	81.7	-178	0	0	112.7	H215 L225 V273 S275 G276 R280 Y281 W298	H215-E278 IonicContact NE2-OE1 3.78Å; L225-E278 HydrophobicContact CD1-CB 4.05Å; L225-E278 HydrophobicContact CD1-CG 4.39Å; L225-E278 HydrophobicContact CD2-CG 4.37Å; V273-E278 HydrophobicContact CG2-CG 3.91Å; S275-E278 WeakPolarHBondContact CA-OE1 3.22Å; G276-E278 WeakPolarHBondContact CA-OE2 3.26Å; G276-E278 VanDerWaalsContact N-CD 3.3Å; G276-E278 PolarHBondContact N-OE1 2.93Å; G276-E278 PolarHBondContact N-OE2 3.06Å; E278-R280 PolarHBondContact O-N 3.15Å; E278-Y281 PolarHBondContact O-N 3.43Å; E278-W298 HydrophobicContact CB-CD2 4.28Å; E278-W298 HydrophobicContact CB-CE3 3.35Å; E278-W298 HydrophobicContact CB-CZ3 3.76Å; E278-W298 HydrophobicContact CG-CE3 3.7Å; E278-W298 HydrophobicContact CG-CZ3 3.69Å
279	Q	91.9	Very high	94.8	Very high	94 Å²	94	35.5 Å²	35.5	44%	0.439	20%	0.199	S	C	.	.	G	3₁₀ helix	trans	-69.3	-18.8	179.7	-64	-56.4	-45.7	0	0	114.1	E277 W298	E277-Q279 PolarHBondContact O-N 3.47Å; Q279-W298 PolarHBondContact NE2-O 3.39Å
280	R	94.7	Very high	94.6	Very high	100 Å²	100	36.7 Å²	36.7	38%	0.377	21%	0.205	S	C	.	.	G	3₁₀ helix	trans	-76.6	-16.6	175.3	-62.8	174.4	67.5	180	5.6	112	R243 D244 E277 E278	R243-R280 WeakPolarHBondContact CA-O 3.31Å; R243-R280 HydrophobicContact CG-CB 4.37Å; D244-R280 PolarHBondContact N-O 2.9Å; D244-R280 IonicContact OD1-NE 3.7Å; D244-R280 PolarHBondContact OD1-NE 3.38Å; D244-R280 IonicContact OD2-CZ 3.51Å; D244-R280 IonicContact OD2-NE 3.81Å; D244-R280 PolarHBondContact OD2-NE 2.79Å; D244-R280 IonicContact OD2-NH2 3.73Å; D244-R280 PolarHBondContact OD2-NH2 2.91Å; E277-R280 WeakPolarHBondContact O-CB 3.42Å; E277-R280 PolarHBondContact O-N 2.92Å; E277-R280 IonicContact OE1-NH1 2.71Å; E277-R280 IonicContact OE2-CZ 3.74Å; E277-R280 IonicContact OE2-NE 2.72Å; E277-R280 IonicContact OE2-NH1 3.09Å; E277-R280 PolarHBondContact OE2-NH1 3.37Å; E278-R280 PolarHBondContact O-N 3.15Å
281	Y	95.6	Very high	94.4	Very high	7 Å²	7	43.1 Å²	43.1	3%	0.027	25%	0.247	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-96.9	131.4	-177.4	-66.4	-98.6	0	0	0	111.4	Q242 R243 Q248 V271 V273 E277 E278	Q242-Y281 CarbonylContact O-C 3.58Å; Q242-Y281 VanDerWaalsContact O-CA 3.26Å; Q242-Y281 WeakPolarHBondContact O-CA 3.36Å; R243-Y281 HydrophobicContact CB-CD1 4.06Å; R243-Y281 HydrophobicContact CB-CE1 3.86Å; R243-Y281 WeakPolarHBondContact CD-OH 3.31Å; R243-Y281 HydrophobicContact CG-CD1 4.41Å; R243-Y281 HydrophobicContact CG-CE1 4.01Å; R243-Y281 HydrophobicContact CG-CE2 4.2Å; R243-Y281 PolarHBondContact NE-OH 2.85Å; Q248-Y281 HydrophobicContact CG-CE1 4.44Å; V271-Y281 HydrophobicContact CG1-CD1 4.1Å; V271-Y281 HydrophobicContact CG2-CD1 4.45Å; V271-Y281 HydrophobicContact CG2-CE1 4.17Å; V273-Y281 HydrophobicContact CB-CD2 3.98Å; V273-Y281 HydrophobicContact CB-CE2 3.66Å; V273-Y281 HydrophobicContact CG1-CD1 3.72Å; V273-Y281 HydrophobicContact CG1-CD2 3.56Å; V273-Y281 HydrophobicContact CG1-CE1 3.67Å; V273-Y281 HydrophobicContact CG1-CE2 3.53Å; V273-Y281 HydrophobicContact CG1-CG 3.66Å; E277-Y281 HydrophobicContact CB-CE2 4.3Å; E277-Y281 VanDerWaalsContact O-CD2 3.31Å; E277-Y281 WeakPolarHBondContact O-CD2 3.45Å; E278-Y281 PolarHBondContact O-N 3.43Å
282	T	96.7	Very high	94.1	Very high	10 Å²	10	50.2 Å²	50.2	6%	0.061	28%	0.277	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-124.4	133.8	176	46.3	0	0	0	0	110.4	W241 Q242 H284 T295 L296 R297	W241-T282 WeakPolarHBondContact CA-O 3.45Å; Q242-T282 PolarHBondContact N-O 3.33Å; Q242-T282 PolarHBondContact O-N 3.07Å; T282-H284 PolarHBondContact OG1-NE2 2.72Å; T282-T295 HydrophobicContact CG2-CG2 3.94Å; T282-L296 CarbonylContact C-O 3.6Å; T282-L296 WeakPolarHBondContact CA-O 3.37Å; T282-R297 HydrophobicContact CG2-CG 3.48Å; T282-R297 VanDerWaalsContact CG2-CG 3.48Å
283	C	96.9	Very high	94	Very high	0 Å²	0	50.6 Å²	50.6	0%	0	28%	0.281	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-94.2	127.6	168.7	174.4	0	0	0	0	109.4	M213 C227 T240 W241 T295 L296	M213-C283 HydrophobicContact CE-CB 4.18Å; C227-C283 HydrophobicContact CB-CB 3.52Å; C227-C283 WeakPolarHBondContact CB-SG 3.5Å; C227-C283 WeakPolarHBondContact SG-CB 3.38Å; C227-C283 CovalentContact SG-SG 2.03Å; C227-C283 PolarHBondContact SG-SG 3.36Å; T240-C283 CarbonylContact O-C 3.55Å; T240-C283 WeakPolarHBondContact O-CA 3.04Å; W241-C283 HydrophobicContact CD2-CB 4.24Å; W241-C283 HydrophobicContact CE3-CB 4.18Å; W241-C283 HydrophobicContact CH2-CB 4.21Å; W241-C283 HydrophobicContact CZ2-CB 4.21Å; W241-C283 HydrophobicContact CZ3-CB 4.16Å; C283-T295 CarbonylContact O-C 3.6Å; C283-T295 WeakPolarHBondContact O-CA 3.4Å; C283-L296 HydrophobicContact CB-CB 4.27Å; C283-L296 PolarHBondContact N-O 2.98Å; C283-L296 PolarHBondContact O-N 3.02Å
284	H	96.6	Very high	94	Very high	34 Å²	34	53.2 Å²	53.2	16%	0.157	30%	0.295	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-106.6	129.8	176.6	-64.5	-107.2	0	0	0	109.5	L239 T240 Q242 T282 L294 T295	L239-H284 WeakPolarHBondContact CA-O 3.44Å; T240-H284 PolarHBondContact N-O 3.35Å; T240-H284 PolarHBondContact O-N 2.9Å; Q242-H284 PolarHBondContact OE1-NE2 2.84Å; Q242-H284 VanDerWaalsContact OE1-NE2 3.16Å; T282-H284 PolarHBondContact OG1-NE2 2.72Å; H284-L294 WeakPolarHBondContact CA-O 3.49Å; H284-T295 PolarHBondContact ND1-OG1 3.14Å
285	V	97.1	Very high	94	Very high	0 Å²	0	55 Å²	55	0%	0	31%	0.305	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-123.1	121.5	-178.9	-174.6	0	0	0	0	109	P209 T211 I237 T238 L239 L290 P293 L294 L296	P209-V285 HydrophobicContact CG-CG1 3.96Å; T211-V285 HydrophobicContact CG2-CB 4.48Å; T211-V285 HydrophobicContact CG2-CG1 4.23Å; T211-V285 HydrophobicContact CG2-CG2 4.08Å; I237-V285 HydrophobicContact CD1-CG1 4Å; I237-V285 HydrophobicContact CG1-CG1 4.33Å; T238-V285 WeakPolarHBondContact O-CA 3.23Å; L239-V285 HydrophobicContact CD1-CG1 4.06Å; L239-V285 HydrophobicContact CG-CG2 4.29Å; V285-L290 HydrophobicContact CG1-CD1 4.23Å; V285-P293 WeakPolarHBondContact O-CA 3.47Å; V285-L294 HydrophobicContact CB-CB 4.33Å; V285-L294 PolarHBondContact N-O 3.32Å; V285-L294 PolarHBondContact O-N 3.13Å; V285-L296 HydrophobicContact CG2-CD1 4.02Å
286	Q	96.7	Very high	94.1	Very high	66 Å²	66	54 Å²	54	31%	0.308	30%	0.295	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-117.7	129.6	174.2	-53.5	-179.7	12.3	0	0	109.2	I237 T238 P293	I237-Q286 VanDerWaalsContact CG1-O 3.31Å; I237-Q286 WeakPolarHBondContact CG1-O 3.44Å; T238-Q286 PolarHBondContact N-O 2.67Å; T238-Q286 PolarHBondContact O-N 2.85Å; Q286-P293 HydrophobicContact CG-CB 4.09Å; Q286-P293 HydrophobicContact CG-CG 4.18Å
287	H	95.3	Very high	94.3	Very high	17 Å²	17	58.2 Å²	58.2	8%	0.079	29%	0.291	C	S	.	.			trans	-155.9	146.4	-179.2	-173.7	-98.6	0	0	0	108.7	D207 P209 F232 Y233 P234 E236 I237 G289 L290	D207-H287 PolarHBondContact O-CE1 3.18Å; D207-H287 VanDerWaalsContact O-CE1 3.31Å; P209-H287 HydrophobicContact CG-CB 4.02Å; F232-H287 AromaticContact CD2-CD2 3.86Å; F232-H287 AromaticContact CD2-NE2 3.69Å; Y233-H287 PolarHBondContact O-CE1 3.44Å; Y233-H287 VanDerWaalsContact O-CE1 3.24Å; P234-H287 PolarHBondContact O-NE2 2.82Å; E236-H287 PolarHBondContact O-CD2 2.85Å; I237-H287 HydrophobicContact CD1-CB 4.33Å; I237-H287 HydrophobicContact CG1-CB 4.08Å; H287-G289 PolarHBondContact ND1-N 3.17Å; H287-G289 PolarHBondContact O-N 3.04Å; H287-L290 HydrophobicContact CB-CD1 3.96Å; H287-L290 HydrophobicContact CB-CG 4.16Å; H287-L290 WeakPolarHBondContact O-CB 3.47Å; H287-L290 PolarHBondContact O-N 2.89Å
288	E	91.6	Very high	94.1	Very high	92 Å²	92	57.6 Å²	57.6	43%	0.43	29%	0.286	S	S	.	.	T	Hydrogen-bonded Turn	trans	-60.4	-33.1	-179.1	-175.9	177.3	-174	0	0	113	A24 G25 T206 L290	A24-E288 WeakPolarHBondContact CA-OE1 3.33Å; G25-E288 PolarHBondContact N-OE1 3.34Å; T206-E288 HydrophobicContact CG2-CG 4.13Å; E288-L290 PolarHBondContact O-N 2.83Å
289	G	91.8	Very high	93.4	Very high	16 Å²	16	64.5 Å²	64.5	17%	0.165	32%	0.319	C	S	.	.	T	Hydrogen-bonded Turn	trans	-71	-8.5	176.8	0	0	0	0	0	114.3	H287	H287-G289 PolarHBondContact ND1-N 3.17Å; H287-G289 PolarHBondContact O-N 3.04Å
290	L	93.9	Very high	92	Very high	25 Å²	25	65.8 Å²	65.8	13%	0.131	33%	0.328	C	S	.	.			trans	-95.5	126.4	178.3	-65.9	170.5	0	0	0	110.8	P208 P209 V285 H287 E288 K292 L294	P208-L290 HydrophobicContact CB-CD2 3.9Å; P208-L290 HydrophobicContact CB-CG 4.48Å; P209-L290 HydrophobicContact CG-CD1 3.88Å; P209-L290 HydrophobicContact CG-CD2 4.43Å; P209-L290 HydrophobicContact CG-CG 4.21Å; V285-L290 HydrophobicContact CG1-CD1 4.23Å; H287-L290 HydrophobicContact CB-CD1 3.96Å; H287-L290 HydrophobicContact CB-CG 4.16Å; H287-L290 WeakPolarHBondContact O-CB 3.47Å; H287-L290 PolarHBondContact O-N 2.89Å; E288-L290 PolarHBondContact O-N 2.83Å; L290-K292 WeakPolarHBondContact CB-O 3.33Å; L290-K292 PolarHBondContact O-N 3.15Å; L290-K292 VanDerWaalsContact O-N 3.17Å; L290-L294 HydrophobicContact CD1-CD1 3.97Å; L290-L294 HydrophobicContact CD1-CG 3.87Å; L290-L294 HydrophobicContact CD2-CD1 3.7Å; L290-L294 HydrophobicContact CD2-CG 3.96Å
291	P	92.1	Very high	89.9	Confident	137 Å²	137	66 Å²	66	89%	0.89	35%	0.345	S	S	*	.	S	Bend	trans	-66.1	-21.7	177.6	27.4	-35.2	0	0	0	112.9
292	K	92.4	Very high	87.3	Confident	151 Å²	151	70.6 Å²	70.6	66%	0.657	38%	0.378	S	S	*	.	S	Bend	trans	-150.2	149.6	172.2	59.7	-179.4	179	177.9	0	109.2	L290 L294	L290-K292 WeakPolarHBondContact CB-O 3.33Å; L290-K292 PolarHBondContact O-N 3.15Å; L290-K292 VanDerWaalsContact O-N 3.17Å; K292-L294 PolarHBondContact O-N 3.32Å
293	P	94.5	Very high	84.5	Confident	77 Å²	77	77.7 Å²	77.7	50%	0.5	41%	0.41	S	S	.	.			trans	-50.9	139.8	172.4	-28.5	36.5	0	0	0	112	V285 Q286	V285-P293 WeakPolarHBondContact O-CA 3.47Å; Q286-P293 HydrophobicContact CG-CB 4.09Å; Q286-P293 HydrophobicContact CG-CG 4.18Å
294	L	94.6	Very high	81.7	Confident	55 Å²	55	82.7 Å²	82.7	29%	0.288	44%	0.443	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-90.4	145.4	174.1	-64.6	177.8	0	0	0	110.1	T211 H284 V285 L290 K292	T211-L294 HydrophobicContact CG2-CD1 4.34Å; H284-L294 WeakPolarHBondContact CA-O 3.49Å; V285-L294 HydrophobicContact CB-CB 4.33Å; V285-L294 PolarHBondContact N-O 3.32Å; V285-L294 PolarHBondContact O-N 3.13Å; L290-L294 HydrophobicContact CD1-CD1 3.97Å; L290-L294 HydrophobicContact CD1-CG 3.87Å; L290-L294 HydrophobicContact CD2-CD1 3.7Å; L290-L294 HydrophobicContact CD2-CG 3.96Å; K292-L294 PolarHBondContact O-N 3.32Å
295	T	95.6	Very high	79.3	Confident	80 Å²	80	87.2 Å²	87.2	49%	0.491	47%	0.473	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-127	116.3	171.7	-56.2	0	0	0	0	107.8	T282 C283 H284	T282-T295 HydrophobicContact CG2-CG2 3.94Å; C283-T295 CarbonylContact O-C 3.6Å; C283-T295 WeakPolarHBondContact O-CA 3.4Å; H284-T295 PolarHBondContact ND1-OG1 3.14Å
296	L	93.9	Very high	77.1	Confident	36 Å²	36	92 Å²	92	19%	0.188	50%	0.497	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-108.5	135.8	-176	-60.6	155.6	0	0	0	108.6	T211 M213 T282 C283 V285	T211-L296 HydrophobicContact CG2-CD1 4.1Å; M213-L296 HydrophobicContact CG-CB 4.36Å; M213-L296 HydrophobicContact SD-CB 3.6Å; T282-L296 CarbonylContact C-O 3.6Å; T282-L296 WeakPolarHBondContact CA-O 3.37Å; C283-L296 HydrophobicContact CB-CB 4.27Å; C283-L296 PolarHBondContact N-O 2.98Å; C283-L296 PolarHBondContact O-N 3.02Å; V285-L296 HydrophobicContact CG2-CD1 4.02Å
297	R	92.3	Very high	75.1	Confident	154 Å²	154	93 Å²	93	58%	0.581	51%	0.51	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-116.7	149.9	167.2	-73.2	-175.8	176.1	156.5	-0.3	108.3	T282 E299	T282-R297 HydrophobicContact CG2-CG 3.48Å; T282-R297 VanDerWaalsContact CG2-CG 3.48Å; R297-E299 PolarHBondContact O-N 3.48Å
298	W	88.8	Confident	73.4	Confident	39 Å²	39	97.8 Å²	97.8	15%	0.148	53%	0.534	C	S	.	.			trans	-67.1	109.5	173.8	176.1	61.7	0	0	0	108.4	M213 H215 L225 E278 Q279 L300	M213-W298 HydrophobicContact CE-CB 4.36Å; M213-W298 HydrophobicContact SD-CB 4.47Å; M213-W298 PolarHBondContact SD-N 3.39Å; M213-W298 VanDerWaalsContact SD-N 3.37Å; H215-W298 HydrophobicContact CB-CD2 4.43Å; H215-W298 HydrophobicContact CB-CZ2 3.93Å; H215-W298 VanDerWaalsContact CB-NE1 3.33Å; H215-W298 AromaticContact CD2-CZ2 3.92Å; H215-W298 AromaticContact CG-CE2 3.81Å; H215-W298 AromaticContact CG-CZ2 3.67Å; H215-W298 AromaticContact ND1-CZ2 3.9Å; L225-W298 HydrophobicContact CD1-CB 4.39Å; L225-W298 HydrophobicContact CD2-CB 3.91Å; L225-W298 HydrophobicContact CD2-CD2 4.24Å; L225-W298 HydrophobicContact CD2-CG 3.83Å; E278-W298 HydrophobicContact CB-CD2 4.28Å; E278-W298 HydrophobicContact CB-CE3 3.35Å; E278-W298 HydrophobicContact CB-CZ3 3.76Å; E278-W298 HydrophobicContact CG-CE3 3.7Å; E278-W298 HydrophobicContact CG-CZ3 3.69Å; Q279-W298 PolarHBondContact NE2-O 3.39Å; W298-L300 HydrophobicContact CE3-CD1 3.95Å; W298-L300 HydrophobicContact CH2-CD1 3.65Å; W298-L300 HydrophobicContact CH2-CG 3.63Å; W298-L300 HydrophobicContact CZ2-CD1 4.46Å; W298-L300 HydrophobicContact CZ2-CG 4.13Å; W298-L300 HydrophobicContact CZ3-CD1 3.33Å; W298-L300 HydrophobicContact CZ3-CG 3.89Å
299	E	78.6	Confident	71.9	Confident	165 Å²	165	99 Å²	99	77%	0.771	55%	0.548	S	S	*	.			trans	-79.7	125.2	167.8	-68.6	-178.9	173.3	0	0	107.2	R297 S301	R297-E299 PolarHBondContact O-N 3.48Å; E299-S301 PolarHBondContact O-N 3.03Å
300	L	62.8	Low	70.7	Confident	121 Å²	121	100.3 Å²	100.3	63%	0.634	56%	0.562	S	S	*	*			trans	-57.1	102.8	160.2	-94.3	93.2	0	0	0	105.1	W298 S302	W298-L300 HydrophobicContact CE3-CD1 3.95Å; W298-L300 HydrophobicContact CH2-CD1 3.65Å; W298-L300 HydrophobicContact CH2-CG 3.63Å; W298-L300 HydrophobicContact CZ2-CD1 4.46Å; W298-L300 HydrophobicContact CZ2-CG 4.13Å; W298-L300 HydrophobicContact CZ3-CD1 3.33Å; W298-L300 HydrophobicContact CZ3-CG 3.89Å; L300-S302 VanDerWaalsContact C-N 3.31Å; L300-S302 PolarHBondContact O-N 2.84Å
301	S	49.7	Very low	69.6	Low	105 Å²	105	103.5 Å²	103.5	73%	0.734	58%	0.578	S	S	*	*			trans	-52.8	108.3	168.8	-176.4	0	0	0	0	105.5	E299 Q303	E299-S301 PolarHBondContact O-N 3.03Å; S301-Q303 PolarHBondContact O-N 3.48Å
302	S	41.3	Very low	68.7	Low	103 Å²	103	101.6 Å²	101.6	72%	0.72	56%	0.559	S	S	*	*			trans	-60.4	89.2	163	53.5	0	0	0	0	104.7	L300 P304	L300-S302 VanDerWaalsContact C-N 3.31Å; L300-S302 PolarHBondContact O-N 2.84Å; S302-P304 WeakPolarHBondContact O-CD 3.47Å
303	Q	38.1	Very low	67.9	Low	159 Å²	159	96.7 Å²	96.7	74%	0.743	55%	0.546	S	S	*	.			trans	-48	117.3	146.4	-81.1	-173.1	-17.9	0	0	103.5	S301 T305	S301-Q303 PolarHBondContact O-N 3.48Å; Q303-T305 PolarHBondContact O-N 3.17Å
304	P	37.6	Very low	67.2	Low	105 Å²	105	94.4 Å²	94.4	68%	0.682	54%	0.537	S	S	*	.			trans	-61.6	104.7	166.1	27.1	-29.1	0	0	0	103.2	S302 I306	S302-P304 WeakPolarHBondContact O-CD 3.47Å; P304-I306 HydrophobicContact CB-CG1 4.05Å; P304-I306 HydrophobicContact CG-CG1 4.42Å; P304-I306 PolarHBondContact O-N 3.32Å
305	T	47.3	Very low	66.8	Low	129 Å²	129	97.2 Å²	97.2	79%	0.791	55%	0.552	S	S	*	*			trans	-63.4	71.5	152.4	19.7	0	0	0	0	104.7	Q303 P307	Q303-T305 PolarHBondContact O-N 3.17Å; T305-P307 VanDerWaalsContact O-CD 3.26Å; T305-P307 WeakPolarHBondContact O-CD 3.35Å
306	I	49.7	Very low	66.2	Low	100 Å²	100	98 Å²	98	51%	0.513	56%	0.557	S	S	.	*			trans	-50.3	117	153.4	-59.3	179.3	0	0	0	102	P304 I308 I311	P304-I306 HydrophobicContact CB-CG1 4.05Å; P304-I306 HydrophobicContact CG-CG1 4.42Å; P304-I306 PolarHBondContact O-N 3.32Å; I306-I308 PolarHBondContact O-N 2.86Å; I306-I311 HydrophobicContact CG2-CD1 3.7Å
307	P	55	Low	65.6	Low	88 Å²	88	102.1 Å²	102.1	57%	0.571	58%	0.578	S	S	*	*			trans	-72.7	81.9	-177.2	29.7	-31.3	0	0	0	105.7	T305 V309 G310 I311	T305-P307 VanDerWaalsContact O-CD 3.26Å; T305-P307 WeakPolarHBondContact O-CD 3.35Å; P307-V309 PolarHBondContact O-N 3.16Å; P307-V309 VanDerWaalsContact O-N 3.1Å; P307-G310 WeakPolarHBondContact O-CA 3.21Å; P307-G310 PolarHBondContact O-N 2.86Å; P307-I311 PolarHBondContact O-N 3.41Å; P307-I311 VanDerWaalsContact O-N 3.14Å
308	I	59.6	Low	65.2	Low	116 Å²	116	99.8 Å²	99.8	60%	0.595	58%	0.577	S	S	*	*	H	α-helix	trans	-53.2	-34.1	177.5	-68.9	168.3	0	0	0	108.3	I306 G310 I311 I312	I306-I308 PolarHBondContact O-N 2.86Å; I308-G310 PolarHBondContact O-N 2.88Å; I308-I311 PolarHBondContact O-N 3.23Å; I308-I312 HydrophobicContact CG2-CD1 3.64Å; I308-I312 HydrophobicContact CG2-CG1 4.31Å; I308-I312 WeakPolarHBondContact O-CB 3.35Å; I308-I312 WeakPolarHBondContact O-CG1 3.26Å; I308-I312 PolarHBondContact O-N 3.35Å
309	V	59.8	Low	64.9	Low	119 Å²	119	99.6 Å²	99.6	72%	0.721	59%	0.587	S	S	*	*	H	α-helix	trans	-60.7	-42.2	172.8	-175.1	0	0	0	0	112.8	P307 A313	P307-V309 PolarHBondContact O-N 3.16Å; P307-V309 VanDerWaalsContact O-N 3.1Å; V309-A313 VanDerWaalsContact O-CB 3.29Å; V309-A313 WeakPolarHBondContact O-CB 3.48Å; V309-A313 PolarHBondContact O-N 3.01Å
310	G	66.4	Low	65	Low	43 Å²	43	94.5 Å²	94.5	44%	0.443	57%	0.573	S	S	.	*	H	α-helix	trans	-69.4	-37.8	179	0	0	0	0	0	113	P307 I308 G314	P307-G310 WeakPolarHBondContact O-CA 3.21Å; P307-G310 PolarHBondContact O-N 2.86Å; I308-G310 PolarHBondContact O-N 2.88Å; G310-G314 PolarHBondContact O-N 3.06Å
311	I	72.6	Confident	66	Low	91 Å²	91	93.6 Å²	93.6	47%	0.467	57%	0.572	S	S	.	*	H	α-helix	trans	-69.5	-43	176.2	-61.6	175.3	0	0	0	110.5	I306 P307 I308 G314 L315	I306-I311 HydrophobicContact CG2-CD1 3.7Å; P307-I311 PolarHBondContact O-N 3.41Å; P307-I311 VanDerWaalsContact O-N 3.14Å; I308-I311 PolarHBondContact O-N 3.23Å; I311-G314 PolarHBondContact O-N 3.49Å; I311-L315 HydrophobicContact CG2-CD1 3.95Å; I311-L315 HydrophobicContact CG2-CG 4.45Å; I311-L315 WeakPolarHBondContact O-CB 3.4Å; I311-L315 WeakPolarHBondContact O-CG 3.43Å; I311-L315 PolarHBondContact O-N 3.18Å
312	I	73.2	Confident	67.4	Low	97 Å²	97	93.5 Å²	93.5	50%	0.497	56%	0.562	S	S	.	*	H	α-helix	trans	-63.6	-46.6	176.5	-68.4	169.4	0	0	0	110.5	I308 G314 L315 V316	I308-I312 HydrophobicContact CG2-CD1 3.64Å; I308-I312 HydrophobicContact CG2-CG1 4.31Å; I308-I312 WeakPolarHBondContact O-CB 3.35Å; I308-I312 WeakPolarHBondContact O-CG1 3.26Å; I308-I312 PolarHBondContact O-N 3.35Å; I312-G314 VanDerWaalsContact C-N 3.32Å; I312-G314 PolarHBondContact O-N 3.12Å; I312-L315 PolarHBondContact O-N 3.02Å; I312-V316 HydrophobicContact CG2-CG2 4.33Å; I312-V316 VanDerWaalsContact O-CG2 3.27Å; I312-V316 WeakPolarHBondContact O-CG2 3.49Å; I312-V316 PolarHBondContact O-N 3.41Å
313	A	75.3	Confident	69.1	Low	48 Å²	48	92.9 Å²	92.9	40%	0.397	55%	0.554	S	S	.	*	H	α-helix	trans	-60.4	-42.1	177.1	0	0	0	0	0	111.9	V309 V316 L317	V309-A313 VanDerWaalsContact O-CB 3.29Å; V309-A313 WeakPolarHBondContact O-CB 3.48Å; V309-A313 PolarHBondContact O-N 3.01Å; A313-V316 PolarHBondContact O-N 3.01Å; A313-L317 WeakPolarHBondContact O-CB 3.31Å; A313-L317 WeakPolarHBondContact O-CG 3.28Å; A313-L317 PolarHBondContact O-N 3.45Å
314	G	80	Confident	71	Confident	30 Å²	30	87.3 Å²	87.3	31%	0.309	54%	0.539	S	S	.	.	H	α-helix	trans	-62.4	-44.6	175.6	0	0	0	0	0	113.2	G310 I311 I312 L317 L318	G310-G314 PolarHBondContact O-N 3.06Å; I311-G314 PolarHBondContact O-N 3.49Å; I312-G314 VanDerWaalsContact C-N 3.32Å; I312-G314 PolarHBondContact O-N 3.12Å; G314-L317 PolarHBondContact O-N 2.7Å; G314-L318 WeakPolarHBondContact O-CB 3.42Å; G314-L318 PolarHBondContact O-N 2.83Å
315	L	85.2	Confident	72.9	Confident	114 Å²	114	85 Å²	85	60%	0.597	53%	0.529	S	S	*	.	H	α-helix	trans	-66.9	-39	178.2	-74.8	170.2	0	0	0	112.6	I311 I312 L318 G319	I311-L315 HydrophobicContact CG2-CD1 3.95Å; I311-L315 HydrophobicContact CG2-CG 4.45Å; I311-L315 WeakPolarHBondContact O-CB 3.4Å; I311-L315 WeakPolarHBondContact O-CG 3.43Å; I311-L315 PolarHBondContact O-N 3.18Å; I312-L315 PolarHBondContact O-N 3.02Å; L315-L318 PolarHBondContact O-N 2.92Å; L315-G319 PolarHBondContact O-N 3.48Å
316	V	83.3	Confident	74.5	Confident	97 Å²	97	83 Å²	83	59%	0.588	52%	0.517	S	S	*	.	H	α-helix	trans	-65	-43.7	176.1	171.3	0	0	0	0	110.9	I312 A313 G319 A320	I312-V316 HydrophobicContact CG2-CG2 4.33Å; I312-V316 VanDerWaalsContact O-CG2 3.27Å; I312-V316 WeakPolarHBondContact O-CG2 3.49Å; I312-V316 PolarHBondContact O-N 3.41Å; A313-V316 PolarHBondContact O-N 3.01Å; V316-G319 PolarHBondContact O-N 2.83Å; V316-A320 WeakPolarHBondContact O-CB 3.32Å; V316-A320 PolarHBondContact O-N 3.31Å
317	L	82.1	Confident	75.8	Confident	121 Å²	121	82.2 Å²	82.2	63%	0.634	52%	0.516	S	S	*	.	H	α-helix	trans	-63	-45	176.2	-76.8	168.4	0	0	0	111.9	A313 G314 G319 A320 V321	A313-L317 WeakPolarHBondContact O-CB 3.31Å; A313-L317 WeakPolarHBondContact O-CG 3.28Å; A313-L317 PolarHBondContact O-N 3.45Å; G314-L317 PolarHBondContact O-N 2.7Å; L317-G319 PolarHBondContact O-N 3.37Å; L317-A320 PolarHBondContact O-N 3.38Å; L317-V321 WeakPolarHBondContact O-CG2 3.02Å; L317-V321 PolarHBondContact O-N 2.9Å
318	L	83.4	Confident	76.7	Confident	106 Å²	106	80.8 Å²	80.8	56%	0.555	51%	0.512	S	S	*	.	H	α-helix	trans	-59.9	-45	174.9	-97.1	151	0	0	0	111.9	G314 L315 A320 V321 I322	G314-L318 WeakPolarHBondContact O-CB 3.42Å; G314-L318 PolarHBondContact O-N 2.83Å; L315-L318 PolarHBondContact O-N 2.92Å; L318-A320 VanDerWaalsContact C-N 3.34Å; L318-A320 PolarHBondContact O-N 3.18Å; L318-V321 PolarHBondContact O-N 3.24Å; L318-I322 VanDerWaalsContact O-CG1 3.28Å; L318-I322 WeakPolarHBondContact O-CG1 3.46Å; L318-I322 PolarHBondContact O-N 2.97Å
319	G	81.5	Confident	77.5	Confident	35 Å²	35	77.9 Å²	77.9	36%	0.361	51%	0.505	S	S	.	.	H	α-helix	trans	-58.5	-44.4	176.1	0	0	0	0	0	112.6	L315 V316 L317 I322 T323	L315-G319 PolarHBondContact O-N 3.48Å; V316-G319 PolarHBondContact O-N 2.83Å; L317-G319 PolarHBondContact O-N 3.37Å; G319-I322 PolarHBondContact O-N 3.14Å; G319-T323 PolarHBondContact O-N 3.38Å; G319-T323 PolarHBondContact O-OG1 3.07Å
320	A	80.8	Confident	78.1	Confident	57 Å²	57	76.3 Å²	76.3	47%	0.471	50%	0.496	S	S	.	.	H	α-helix	trans	-65.5	-40.2	178	0	0	0	0	0	112.9	V316 L317 L318 T323 G324	V316-A320 WeakPolarHBondContact O-CB 3.32Å; V316-A320 PolarHBondContact O-N 3.31Å; L317-A320 PolarHBondContact O-N 3.38Å; L318-A320 VanDerWaalsContact C-N 3.34Å; L318-A320 PolarHBondContact O-N 3.18Å; A320-T323 WeakPolarHBondContact CA-OG1 3.32Å; A320-T323 PolarHBondContact O-OG1 3.41Å; A320-G324 PolarHBondContact O-N 3.32Å
321	V	83.3	Confident	78.4	Confident	102 Å²	102	80.3 Å²	80.3	62%	0.618	51%	0.505	S	S	*	.	H	α-helix	trans	-65.7	-44	176.8	172	0	0	0	0	110.9	L317 L318 G324 A325	L317-V321 WeakPolarHBondContact O-CG2 3.02Å; L317-V321 PolarHBondContact O-N 2.9Å; L318-V321 PolarHBondContact O-N 3.24Å; V321-G324 PolarHBondContact O-N 2.84Å; V321-A325 WeakPolarHBondContact O-CB 3.2Å; V321-A325 PolarHBondContact O-N 2.8Å
322	I	81.1	Confident	78.3	Confident	104 Å²	104	85.6 Å²	85.6	53%	0.533	52%	0.519	S	S	.	.	H	α-helix	trans	-64.3	-46	179.1	-66.5	168.4	0	0	0	110.4	L318 G319 G324 A325 V326	L318-I322 VanDerWaalsContact O-CG1 3.28Å; L318-I322 WeakPolarHBondContact O-CG1 3.46Å; L318-I322 PolarHBondContact O-N 2.97Å; G319-I322 PolarHBondContact O-N 3.14Å; I322-G324 PolarHBondContact O-N 2.94Å; I322-A325 PolarHBondContact O-N 3.46Å; I322-V326 HydrophobicContact CG2-CG2 4.46Å; I322-V326 VanDerWaalsContact O-CG2 3.3Å; I322-V326 WeakPolarHBondContact O-CG2 3.45Å; I322-V326 PolarHBondContact O-N 3.15Å
323	T	76.5	Confident	78	Confident	90 Å²	90	90.7 Å²	90.7	55%	0.552	53%	0.532	S	S	*	.	H	α-helix	trans	-63.2	-42.7	176.6	28.9	0	0	0	0	111.9	G319 A320 A325 V326 V327	G319-T323 PolarHBondContact O-N 3.38Å; G319-T323 PolarHBondContact O-OG1 3.07Å; A320-T323 WeakPolarHBondContact CA-OG1 3.32Å; A320-T323 PolarHBondContact O-OG1 3.41Å; T323-A325 PolarHBondContact O-N 2.89Å; T323-V326 PolarHBondContact O-N 2.87Å; T323-V327 VanDerWaalsContact O-CG2 3.3Å; T323-V327 WeakPolarHBondContact O-CG2 3.39Å; T323-V327 PolarHBondContact O-N 3.5Å
324	G	77.8	Confident	77.3	Confident	42 Å²	42	98.5 Å²	98.5	43%	0.433	55%	0.551	S	S	.	*	H	α-helix	trans	-58.4	-45.1	174.1	0	0	0	0	0	113	A320 V321 I322 V327 A328	A320-G324 PolarHBondContact O-N 3.32Å; V321-G324 PolarHBondContact O-N 2.84Å; I322-G324 PolarHBondContact O-N 2.94Å; G324-V327 PolarHBondContact O-N 3.2Å; G324-A328 WeakPolarHBondContact O-CB 3.29Å; G324-A328 PolarHBondContact O-N 3.38Å
325	A	78.1	Confident	76.3	Confident	57 Å²	57	106.1 Å²	106.1	47%	0.471	58%	0.575	S	S	.	*	H	α-helix	trans	-64.8	-40.8	178	0	0	0	0	0	112.5	V321 I322 T323 A328 A329	V321-A325 WeakPolarHBondContact O-CB 3.2Å; V321-A325 PolarHBondContact O-N 2.8Å; I322-A325 PolarHBondContact O-N 3.46Å; T323-A325 PolarHBondContact O-N 2.89Å; A325-A328 PolarHBondContact O-N 2.72Å; A325-A329 WeakPolarHBondContact O-CB 3.41Å; A325-A329 PolarHBondContact O-N 2.92Å
326	V	79.6	Confident	74.8	Confident	87 Å²	87	105 Å²	105	53%	0.527	58%	0.577	S	S	.	*	H	α-helix	trans	-65.3	-45.3	176.7	172.4	0	0	0	0	110.8	I322 T323 A328 A329 V330	I322-V326 HydrophobicContact CG2-CG2 4.46Å; I322-V326 VanDerWaalsContact O-CG2 3.3Å; I322-V326 WeakPolarHBondContact O-CG2 3.45Å; I322-V326 PolarHBondContact O-N 3.15Å; T323-V326 PolarHBondContact O-N 2.87Å; V326-A328 PolarHBondContact O-N 3.26Å; V326-A329 PolarHBondContact O-N 3Å; V326-V330 HydrophobicContact CG1-CG2 4.34Å; V326-V330 WeakPolarHBondContact O-CB 3.23Å; V326-V330 VanDerWaalsContact O-CG2 3.27Å; V326-V330 WeakPolarHBondContact O-CG2 3.43Å; V326-V330 PolarHBondContact O-N 3.24Å
327	V	77.8	Confident	73.3	Confident	82 Å²	82	108 Å²	108	50%	0.497	60%	0.602	S	S	.	*	H	α-helix	trans	-61.7	-44.8	177.1	173	0	0	0	0	110.7	T323 G324 A329 V330 M331	T323-V327 VanDerWaalsContact O-CG2 3.3Å; T323-V327 WeakPolarHBondContact O-CG2 3.39Å; T323-V327 PolarHBondContact O-N 3.5Å; G324-V327 PolarHBondContact O-N 3.2Å; V327-A329 PolarHBondContact O-N 3.36Å; V327-V330 PolarHBondContact O-N 3.07Å; V327-M331 HydrophobicContact CG1-CG 4.4Å; V327-M331 HydrophobicContact CG1-SD 4.11Å; V327-M331 WeakPolarHBondContact O-CB 3.37Å; V327-M331 WeakPolarHBondContact O-CG 3.43Å; V327-M331 PolarHBondContact O-N 3.17Å
328	A	74.4	Confident	72.8	Confident	59 Å²	59	107.4 Å²	107.4	49%	0.488	60%	0.601	S	S	.	*	H	α-helix	trans	-61.5	-43.7	176.7	0	0	0	0	0	112.1	G324 A325 V326 M331 W332	G324-A328 WeakPolarHBondContact O-CB 3.29Å; G324-A328 PolarHBondContact O-N 3.38Å; A325-A328 PolarHBondContact O-N 2.72Å; V326-A328 PolarHBondContact O-N 3.26Å; A328-M331 PolarHBondContact O-N 3.23Å; A328-W332 WeakPolarHBondContact O-CB 3.35Å; A328-W332 PolarHBondContact O-N 3.5Å
329	A	74.7	Confident	72.3	Confident	55 Å²	55	107.4 Å²	107.4	46%	0.455	60%	0.603	S	S	.	*	H	α-helix	trans	-65.1	-40.5	177	0	0	0	0	0	112.6	A325 V326 V327 W332 R333	A325-A329 WeakPolarHBondContact O-CB 3.41Å; A325-A329 PolarHBondContact O-N 2.92Å; V326-A329 PolarHBondContact O-N 3Å; V327-A329 PolarHBondContact O-N 3.36Å; A329-W332 PolarHBondContact O-N 3.16Å; A329-R333 PolarHBondContact O-N 3.35Å
330	V	73.1	Confident	71.8	Confident	85 Å²	85	111.4 Å²	111.4	52%	0.515	62%	0.617	S	S	.	*	H	α-helix	trans	-66.4	-43.6	176	170.2	0	0	0	0	111	V326 V327 W332 R333 R334	V326-V330 HydrophobicContact CG1-CG2 4.34Å; V326-V330 WeakPolarHBondContact O-CB 3.23Å; V326-V330 VanDerWaalsContact O-CG2 3.27Å; V326-V330 WeakPolarHBondContact O-CG2 3.43Å; V326-V330 PolarHBondContact O-N 3.24Å; V327-V330 PolarHBondContact O-N 3.07Å; V330-W332 VanDerWaalsContact C-N 3.32Å; V330-W332 PolarHBondContact O-N 2.8Å; V330-R333 PolarHBondContact O-N 2.92Å; V330-R334 PolarHBondContact O-N 3.47Å
331	M	72.4	Confident	71.2	Confident	128 Å²	128	114.6 Å²	114.6	63%	0.631	63%	0.625	S	S	*	*	H	α-helix	trans	-63	-39.2	175.4	-74.7	-175.7	68.9	0	0	111.8	V327 A328 R334 K335	V327-M331 HydrophobicContact CG1-CG 4.4Å; V327-M331 HydrophobicContact CG1-SD 4.11Å; V327-M331 WeakPolarHBondContact O-CB 3.37Å; V327-M331 WeakPolarHBondContact O-CG 3.43Å; V327-M331 PolarHBondContact O-N 3.17Å; A328-M331 PolarHBondContact O-N 3.23Å; M331-R334 PolarHBondContact O-N 3.07Å; M331-K335 PolarHBondContact O-N 3.27Å; M331-K335 VanDerWaalsContact O-N 3.14Å
332	W	71.1	Confident	70.5	Confident	201 Å²	201	115.4 Å²	115.4	76%	0.761	63%	0.626	S	S	*	*	H	α-helix	trans	-66.1	-43.8	177.2	-163.2	22.7	0	0	0	111.5	A328 A329 V330 R334 K335 S336	A328-W332 WeakPolarHBondContact O-CB 3.35Å; A328-W332 PolarHBondContact O-N 3.5Å; A329-W332 PolarHBondContact O-N 3.16Å; V330-W332 VanDerWaalsContact C-N 3.32Å; V330-W332 PolarHBondContact O-N 2.8Å; W332-R334 VanDerWaalsContact C-N 3.31Å; W332-R334 PolarHBondContact O-N 3.14Å; W332-K335 PolarHBondContact O-N 3.35Å; W332-K335 VanDerWaalsContact O-N 3.13Å; W332-S336 PolarHBondContact O-N 3.45Å; W332-S336 PolarHBondContact O-OG 3.33Å
333	R	66.6	Low	69.8	Low	204 Å²	204	116.2 Å²	116.2	77%	0.77	63%	0.632	S	S	*	*	H	α-helix	trans	-60.4	-36.4	173.1	-100.8	-174.6	174	176.2	-1	113.6	A329 V330 K335 S336	A329-R333 PolarHBondContact O-N 3.35Å; V330-R333 PolarHBondContact O-N 2.92Å; R333-K335 VanDerWaalsContact C-N 3.31Å; R333-S336 WeakPolarHBondContact CA-OG 3.49Å; R333-S336 PolarHBondContact O-OG 3.48Å
334	R	61.5	Low	69.3	Low	213 Å²	213	118.1 Å²	118.1	80%	0.804	64%	0.638	S	S	*	*	H	α-helix	trans	-71.2	-24	176.6	-112.1	-175.7	170.9	-175.2	-2.2	113.5	V330 M331 W332	V330-R334 PolarHBondContact O-N 3.47Å; M331-R334 PolarHBondContact O-N 3.07Å; W332-R334 VanDerWaalsContact C-N 3.31Å; W332-R334 PolarHBondContact O-N 3.14Å
335	K	57.4	Low	68.6	Low	189 Å²	189	123.9 Å²	123.9	82%	0.822	65%	0.653	S	S	*	*	H	α-helix	trans	-90	-14.2	179.2	-133.5	-179.5	-176.8	-176.5	0	112.9	M331 W332 R333	M331-K335 PolarHBondContact O-N 3.27Å; M331-K335 VanDerWaalsContact O-N 3.14Å; W332-K335 PolarHBondContact O-N 3.35Å; W332-K335 VanDerWaalsContact O-N 3.13Å; R333-K335 VanDerWaalsContact C-N 3.31Å
336	S	55.1	Low	67.8	Low	91 Å²	91	129.5 Å²	129.5	64%	0.636	67%	0.669	S	S	*	*			trans	-104.1	14.1	-179.7	61.9	0	0	0	0	113.7	W332 R333	W332-S336 PolarHBondContact O-N 3.45Å; W332-S336 PolarHBondContact O-OG 3.33Å; R333-S336 WeakPolarHBondContact CA-OG 3.49Å; R333-S336 PolarHBondContact O-OG 3.48Å
337	S	50.6	Low	66.8	Low	160 Å²	160	133.4 Å²	133.4	100%	1.119	68%	0.682	S	S	*	*			trans	-124.5	0	173.5	-170.8	0	0	0	0	110.1

Retrieved 337 of 337 residues in 84.8 ms (Link to these results)

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