A0A060CYB7_HUMAN Loading...

MHC class I antigen

AlphaFold DB , UniProt , Accession A0A060CYB7, Species HUMAN (Homo sapiens, Human), Gene HLA-A, Length 365 aa.

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(Predicted Aligned Error values between residue pairs)

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Site	Residue	pLDDT	pLDDT confidence	pLDDT₁₀	pLDDT10 confidence	SASA	SASA [Å²]	SASA₁₀	SASA10 [Å²]	RSA	RSA unformatted	RSA₁₀	RSA10 unformatted	Surface	Surface10 (not used)	Disorder (not used)	Disorder	Sec. str.	Secondary structure	Isomer	Phi (φ)	Psi (ψ)	Omega (ω)	Chi 1 (χ₁)	Chi 2 (χ₂)	Chi 3 (χ₃)	Chi 4 (χ₄)	Chi 5 (χ₅)	Tau (τ)	Contacts (colored by PAE)	Contact details
1	M	34.4	Very low	48.2	Very low	238 Å²	238	131.8 Å²	131.8	100%	1.172	73%	0.725	S	S	*	*				0	99.3	0	-87.1	176.1	-89.8	0	0	107.9
2	A	36.4	Very low	48.5	Very low	104 Å²	104	131.7 Å²	131.7	86%	0.86	72%	0.721	S	S	*	*			trans	-84.3	111.2	172.2	0	0	0	0	0	107.3	M4	A2-M4 PolarHBondContact O-N 3.15Å; A2-M4 VanDerWaalsContact O-N 3.15Å
3	V	41.1	Very low	48.1	Very low	140 Å²	140	128.7 Å²	128.7	85%	0.848	70%	0.703	S	S	*	*			trans	-73.6	104.8	175.7	178.7	0	0	0	0	107.1	A5	V3-A5 PolarHBondContact O-N 3.2Å
4	M	43.5	Very low	47.9	Very low	179 Å²	179	126.8 Å²	126.8	88%	0.882	69%	0.691	S	S	*	*			trans	-73.8	104.9	175.7	-151.8	168.3	72.4	0	0	107.4	A2	A2-M4 PolarHBondContact O-N 3.15Å; A2-M4 VanDerWaalsContact O-N 3.15Å
5	A	47.7	Very low	47.8	Very low	71 Å²	71	120.5 Å²	120.5	59%	0.587	67%	0.668	S	S	*	*			trans	-58.4	139.9	174.7	0	0	0	0	0	109.6	V3 R7	V3-A5 PolarHBondContact O-N 3.2Å; A5-R7 PolarHBondContact O-N 3.24Å
6	P	57.8	Low	47.7	Very low	75 Å²	75	116.4 Å²	116.4	49%	0.487	65%	0.654	S	S	.	*			trans	-65.9	124.7	-175.9	0.2	11.1	0	0	0	109.2	T8 L9 L10	P6-T8 PolarHBondContact O-N 2.87Å; P6-L9 HydrophobicContact CG-CB 4.33Å; P6-L9 WeakPolarHBondContact O-CB 3.39Å; P6-L9 PolarHBondContact O-N 3.02Å; P6-L10 PolarHBondContact O-N 3.4Å
7	R	52.9	Low	47.2	Very low	218 Å²	218	115.3 Å²	115.3	82%	0.823	65%	0.645	S	S	*	*	H	α-helix	trans	-50.8	-28.4	178.1	-87	176.8	159.7	148.8	-6	113.5	A5 L10 L11	A5-R7 PolarHBondContact O-N 3.24Å; R7-L10 PolarHBondContact O-N 3.46Å; R7-L11 VanDerWaalsContact O-CG 3.32Å; R7-L11 WeakPolarHBondContact O-CG 3.35Å; R7-L11 PolarHBondContact O-N 3.48Å; R7-L11 VanDerWaalsContact O-N 3.07Å
8	T	55.1	Low	46.8	Very low	97 Å²	97	111.8 Å²	111.8	60%	0.595	63%	0.633	S	S	*	*	H	α-helix	trans	-66.8	-38	174.4	36.3	0	0	0	0	113.3	P6 L10 L11 L12	P6-T8 PolarHBondContact O-N 2.87Å; T8-L10 VanDerWaalsContact C-N 3.35Å; T8-L11 PolarHBondContact O-N 2.92Å; T8-L12 WeakPolarHBondContact O-CB 3.32Å; T8-L12 WeakPolarHBondContact O-CG 3.39Å; T8-L12 PolarHBondContact O-N 2.61Å
9	L	51.4	Low	46.3	Very low	100 Å²	100	110.9 Å²	110.9	52%	0.524	63%	0.626	S	S	.	*	H	α-helix	trans	-68.2	-38.1	176.6	-148	90.1	0	0	0	110.9	P6 L13	P6-L9 HydrophobicContact CG-CB 4.33Å; P6-L9 WeakPolarHBondContact O-CB 3.39Å; P6-L9 PolarHBondContact O-N 3.02Å; L9-L13 HydrophobicContact CD2-CD1 4.36Å; L9-L13 HydrophobicContact CG-CD1 4.46Å; L9-L13 WeakPolarHBondContact O-CB 3.32Å; L9-L13 WeakPolarHBondContact O-CD1 3.27Å; L9-L13 VanDerWaalsContact O-CG 3.28Å; L9-L13 WeakPolarHBondContact O-CG 3.28Å; L9-L13 PolarHBondContact O-N 3.07Å
10	L	49.8	Very low	45.9	Very low	108 Å²	108	110.2 Å²	110.2	57%	0.565	63%	0.625	S	S	*	*	H	α-helix	trans	-68	-39.1	177.4	-162.2	75.4	0	0	0	111.9	P6 R7 T8 L13 L14	P6-L10 PolarHBondContact O-N 3.4Å; R7-L10 PolarHBondContact O-N 3.46Å; T8-L10 VanDerWaalsContact C-N 3.35Å; L10-L13 PolarHBondContact O-N 2.88Å; L10-L14 HydrophobicContact CG-CD1 4.29Å; L10-L14 WeakPolarHBondContact O-CB 3.38Å; L10-L14 WeakPolarHBondContact O-CD1 3.35Å; L10-L14 VanDerWaalsContact O-CG 3.27Å; L10-L14 WeakPolarHBondContact O-CG 3.35Å; L10-L14 PolarHBondContact O-N 2.85Å
11	L	59.7	Low	45.6	Very low	120 Å²	120	112.7 Å²	112.7	63%	0.628	63%	0.631	S	S	*	*	H	α-helix	trans	-69.2	-38.6	175.5	-73.1	166.5	0	0	0	112.5	R7 T8 L14 G15	R7-L11 VanDerWaalsContact O-CG 3.32Å; R7-L11 WeakPolarHBondContact O-CG 3.35Å; R7-L11 PolarHBondContact O-N 3.48Å; R7-L11 VanDerWaalsContact O-N 3.07Å; T8-L11 PolarHBondContact O-N 2.92Å; L11-L14 PolarHBondContact O-N 3.47Å; L11-G15 PolarHBondContact O-N 3.5Å
12	L	52.5	Low	46.1	Very low	130 Å²	130	105.9 Å²	105.9	68%	0.681	60%	0.603	S	S	*	*	H	α-helix	trans	-66.9	-39.8	173.3	-75.7	166.4	0	0	0	112	T8 G15 A16	T8-L12 WeakPolarHBondContact O-CB 3.32Å; T8-L12 WeakPolarHBondContact O-CG 3.39Å; T8-L12 PolarHBondContact O-N 2.61Å; L12-G15 PolarHBondContact O-N 2.89Å; L12-A16 WeakPolarHBondContact O-CB 3.46Å; L12-A16 PolarHBondContact O-N 3.39Å
13	L	43.4	Very low	46.7	Very low	93 Å²	93	103.4 Å²	103.4	49%	0.487	57%	0.571	S	S	.	*	H	α-helix	trans	-65.7	-39.6	173.6	-79.4	160.9	0	0	0	111.9	L9 L10 A16 L17	L9-L13 HydrophobicContact CD2-CD1 4.36Å; L9-L13 HydrophobicContact CG-CD1 4.46Å; L9-L13 WeakPolarHBondContact O-CB 3.32Å; L9-L13 WeakPolarHBondContact O-CD1 3.27Å; L9-L13 VanDerWaalsContact O-CG 3.28Å; L9-L13 WeakPolarHBondContact O-CG 3.28Å; L9-L13 PolarHBondContact O-N 3.07Å; L10-L13 PolarHBondContact O-N 2.88Å; L13-A16 PolarHBondContact O-N 3.42Å; L13-L17 VanDerWaalsContact O-CB 3.27Å; L13-L17 WeakPolarHBondContact O-CB 3.36Å; L13-L17 WeakPolarHBondContact O-CD1 3.41Å; L13-L17 WeakPolarHBondContact O-CG 3.43Å; L13-L17 PolarHBondContact O-N 2.89Å
14	L	45.4	Very low	47.4	Very low	102 Å²	102	99.9 Å²	99.9	53%	0.534	56%	0.557	S	S	.	*	H	α-helix	trans	-67	-38.2	174	-78.4	160.7	0	0	0	112.1	L10 L11 L17 A18	L10-L14 HydrophobicContact CG-CD1 4.29Å; L10-L14 WeakPolarHBondContact O-CB 3.38Å; L10-L14 WeakPolarHBondContact O-CD1 3.35Å; L10-L14 VanDerWaalsContact O-CG 3.27Å; L10-L14 WeakPolarHBondContact O-CG 3.35Å; L10-L14 PolarHBondContact O-N 2.85Å; L11-L14 PolarHBondContact O-N 3.47Å; L14-L17 PolarHBondContact O-N 2.98Å; L14-A18 VanDerWaalsContact O-CB 3.28Å; L14-A18 WeakPolarHBondContact O-CB 3.33Å; L14-A18 PolarHBondContact O-N 2.86Å
15	G	45.7	Very low	48.9	Very low	33 Å²	33	92.3 Å²	92.3	34%	0.34	53%	0.525	S	S	.	.	H	α-helix	trans	-65.4	-42.5	173.1	0	0	0	0	0	112.7	L11 L12 A18 L19	L11-G15 PolarHBondContact O-N 3.5Å; L12-G15 PolarHBondContact O-N 2.89Å; G15-A18 PolarHBondContact O-N 2.81Å; G15-L19 WeakPolarHBondContact O-CD1 3.4Å; G15-L19 PolarHBondContact O-N 3Å
16	A	46.8	Very low	50.9	Low	54 Å²	54	92.3 Å²	92.3	45%	0.446	52%	0.52	S	S	.	.	H	α-helix	trans	-69.5	-33.7	175.4	0	0	0	0	0	113	L12 L13 T20	L12-A16 WeakPolarHBondContact O-CB 3.46Å; L12-A16 PolarHBondContact O-N 3.39Å; L13-A16 PolarHBondContact O-N 3.42Å; A16-T20 WeakPolarHBondContact O-CG2 3.41Å; A16-T20 PolarHBondContact O-N 2.9Å; A16-T20 PolarHBondContact O-OG1 3.05Å
17	L	38.9	Very low	52.7	Low	98 Å²	98	90.3 Å²	90.3	51%	0.513	51%	0.505	S	S	.	.	H	α-helix	trans	-71.7	-35.9	172.7	-81.7	159.5	0	0	0	112.1	L13 L14 T20 Q21	L13-L17 VanDerWaalsContact O-CB 3.27Å; L13-L17 WeakPolarHBondContact O-CB 3.36Å; L13-L17 WeakPolarHBondContact O-CD1 3.41Å; L13-L17 WeakPolarHBondContact O-CG 3.43Å; L13-L17 PolarHBondContact O-N 2.89Å; L14-L17 PolarHBondContact O-N 2.98Å; L17-T20 WeakPolarHBondContact CA-OG1 3.47Å; L17-T20 PolarHBondContact O-N 3.28Å; L17-T20 PolarHBondContact O-OG1 2.98Å; L17-Q21 WeakPolarHBondContact O-CB 3.27Å; L17-Q21 PolarHBondContact O-N 3.28Å
18	A	39.5	Very low	54.9	Low	52 Å²	52	81 Å²	81	43%	0.43	47%	0.473	S	S	.	.	H	α-helix	trans	-66.5	-41.5	173.7	0	0	0	0	0	111.4	L14 G15 Q21 T22	L14-A18 VanDerWaalsContact O-CB 3.28Å; L14-A18 WeakPolarHBondContact O-CB 3.33Å; L14-A18 PolarHBondContact O-N 2.86Å; G15-A18 PolarHBondContact O-N 2.81Å; A18-Q21 PolarHBondContact O-N 2.97Å; A18-T22 WeakPolarHBondContact O-CG2 3.28Å; A18-T22 PolarHBondContact O-N 3.39Å; A18-T22 PolarHBondContact O-OG1 2.87Å
19	L	37.6	Very low	56.9	Low	95 Å²	95	76.4 Å²	76.4	50%	0.497	45%	0.445	S	S	.	.	H	α-helix	trans	-69.3	-31.3	174.8	-96.2	119.7	0	0	0	113.5	G15 T22	G15-L19 WeakPolarHBondContact O-CD1 3.4Å; G15-L19 PolarHBondContact O-N 3Å; L19-T22 PolarHBondContact O-OG1 3.48Å
20	T	39.1	Very low	59.2	Low	97 Å²	97	74 Å²	74	60%	0.595	43%	0.429	S	S	*	.	H	α-helix	trans	-78.5	-27	175.4	49.4	0	0	0	0	112.8	A16 L17	A16-T20 WeakPolarHBondContact O-CG2 3.41Å; A16-T20 PolarHBondContact O-N 2.9Å; A16-T20 PolarHBondContact O-OG1 3.05Å; L17-T20 WeakPolarHBondContact CA-OG1 3.47Å; L17-T20 PolarHBondContact O-N 3.28Å; L17-T20 PolarHBondContact O-OG1 2.98Å
21	Q	38.4	Very low	61.5	Low	163 Å²	163	69.5 Å²	69.5	76%	0.762	40%	0.404	S	S	*	.	H	α-helix	trans	-74.9	-21.1	174.5	-89.8	-176.4	-18.7	0	0	114.3	L17 A18	L17-Q21 WeakPolarHBondContact O-CB 3.27Å; L17-Q21 PolarHBondContact O-N 3.28Å; A18-Q21 PolarHBondContact O-N 2.97Å
22	T	45.8	Very low	63.4	Low	95 Å²	95	67.8 Å²	67.8	58%	0.583	39%	0.392	S	S	*	.	T	Hydrogen-bonded Turn	trans	-85.8	-10.8	-175.7	52.5	0	0	0	0	114.9	A18 L19	A18-T22 WeakPolarHBondContact O-CG2 3.28Å; A18-T22 PolarHBondContact O-N 3.39Å; A18-T22 PolarHBondContact O-OG1 2.87Å; L19-T22 PolarHBondContact O-OG1 3.48Å
23	W	48.7	Very low	65.6	Low	51 Å²	51	61.9 Å²	61.9	19%	0.193	36%	0.361	C	S	.	.	T	Hydrogen-bonded Turn	trans	-100.4	-26.9	-172.5	-74.7	63.4	0	0	0	114.1	G25 E236 E288	W23-G25 PolarHBondContact O-N 3.01Å; W23-E236 HydrophobicContact CE3-CG 4.36Å; W23-E236 HydrophobicContact CH2-CB 4.44Å; W23-E236 HydrophobicContact CH2-CG 3.62Å; W23-E236 HydrophobicContact CZ2-CG 3.99Å; W23-E236 HydrophobicContact CZ3-CB 4.24Å; W23-E236 HydrophobicContact CZ3-CG 3.82Å; W23-E236 VanDerWaalsContact CZ3-O 3.29Å; W23-E236 WeakPolarHBondContact CZ3-O 3.37Å; W23-E288 HydrophobicContact CE3-CB 4.22Å
24	A	54.8	Low	68.2	Low	67 Å²	67	59.6 Å²	59.6	55%	0.554	35%	0.351	S	S	*	.	S	Bend	trans	-96.1	102.3	-175	0	0	0	0	0	111.9
25	G	75	Confident	70.8	Confident	19 Å²	19	54.9 Å²	54.9	20%	0.196	33%	0.327	C	S	.	.	S	Bend	trans	101.5	15.7	152.1	0	0	0	0	0	118.6	W23 G128 S129	W23-G25 PolarHBondContact O-N 3.01Å; G25-G128 CarbonylContact O-C 3.6Å; G25-S129 WeakPolarHBondContact O-CA 3.3Å; G25-S129 VanDerWaalsContact O-CB 3.23Å; G25-S129 WeakPolarHBondContact O-CB 3.47Å; G25-S129 PolarHBondContact O-N 3.47Å
26	S	91.3	Very high	73.3	Confident	71 Å²	71	55.8 Å²	55.8	50%	0.497	33%	0.325	S	S	.	.			trans	-84.6	145.5	161.5	59.7	0	0	0	0	110.6	V127	S26-V127 CarbonylContact C-O 3.53Å; S26-V127 VanDerWaalsContact CA-O 3.27Å; S26-V127 WeakPolarHBondContact CA-O 3.44Å; S26-V127 WeakPolarHBondContact CB-O 3.45Å
27	H	95.6	Very high	75.7	Confident	33 Å²	33	54 Å²	54	15%	0.153	31%	0.31	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-128.2	155.3	176	-66.4	-77	0	0	0	110.8	D53 D126 V127 L192 L196	H27-D53 VanDerWaalsContact CA-OD1 3.25Å; H27-D53 WeakPolarHBondContact CA-OD1 3.39Å; H27-D53 IonicContact CE1-OD2 3.14Å; H27-D53 IonicContact CG-OD2 3.91Å; H27-D53 IonicContact ND1-OD1 3.98Å; H27-D53 IonicContact ND1-OD2 2.97Å; H27-D53 PolarHBondContact ND1-OD2 3.5Å; H27-D126 CarbonylContact O-C 3.58Å; H27-D126 WeakPolarHBondContact O-CA 3.33Å; H27-V127 HydrophobicContact CB-CG2 3.97Å; H27-V127 PolarHBondContact N-O 3.43Å; H27-V127 PolarHBondContact O-N 3.17Å; H27-L192 HydrophobicContact CB-CD1 4.43Å; H27-L196 HydrophobicContact CB-CD1 3.66Å; H27-L196 HydrophobicContact CB-CD2 4Å; H27-L196 HydrophobicContact CB-CG 4.41Å; H27-L196 WeakPolarHBondContact ND1-CD2 3.35Å
28	S	97.7	Very high	78.5	Confident	23 Å²	23	52.9 Å²	52.9	16%	0.161	30%	0.299	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-133.2	148.4	179.4	66.3	0	0	0	0	111.6	V52 D53 C125 D126	S28-V52 CarbonylContact O-C 3.57Å; S28-V52 VanDerWaalsContact O-CA 3.31Å; S28-V52 WeakPolarHBondContact O-CA 3.42Å; S28-D53 PolarHBondContact N-OD1 3.23Å; S28-D53 PolarHBondContact O-N 3.43Å; S28-D53 PolarHBondContact OG-OD1 3.01Å; S28-C125 WeakPolarHBondContact CA-O 3.32Å; S28-D126 WeakPolarHBondContact CB-OD1 3.41Å
29	M	98.6	Very high	81	Confident	1 Å²	1	53 Å²	53	1%	0.005	30%	0.295	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-120.4	123.3	165.5	-174.4	170.3	62.3	0	0	108.4	Y31 Y51 V52 F57 G124 C125 C188 W191 L192 Y195	M29-Y31 HydrophobicContact CE-CE2 4.12Å; M29-Y31 HydrophobicContact CG-CE2 4.09Å; M29-Y31 HydrophobicContact SD-CE2 4Å; M29-Y51 CarbonylContact C-O 3.57Å; M29-Y51 WeakPolarHBondContact CA-O 3.33Å; M29-V52 HydrophobicContact CG-CG2 4.37Å; M29-F57 HydrophobicContact CG-CE1 4.41Å; M29-F57 HydrophobicContact SD-CZ 4.25Å; M29-G124 CarbonylContact O-C 3.6Å; M29-G124 WeakPolarHBondContact O-CA 3.35Å; M29-C125 PolarHBondContact N-O 2.89Å; M29-C125 PolarHBondContact O-N 3.39Å; M29-C188 HydrophobicContact CE-CB 4.15Å; M29-C188 VanDerWaalsContact CE-O 3.23Å; M29-C188 WeakPolarHBondContact CE-O 3.47Å; M29-C188 WeakPolarHBondContact CE-SG 3.42Å; M29-W191 HydrophobicContact CE-CB 4.08Å; M29-W191 HydrophobicContact SD-CB 4.46Å; M29-L192 HydrophobicContact CB-CB 4.09Å; M29-L192 HydrophobicContact CB-CD1 4.02Å; M29-L192 HydrophobicContact CB-CD2 4.11Å; M29-L192 HydrophobicContact CB-CG 4.28Å; M29-L192 HydrophobicContact CE-CB 4.47Å; M29-Y195 HydrophobicContact SD-CD2 3.73Å; M29-Y195 HydrophobicContact SD-CE2 3.56Å; M29-Y195 VanDerWaalsContact SD-CE2 3.56Å
30	R	98.6	Very high	83.6	Confident	49 Å²	49	52.9 Å²	52.9	19%	0.185	32%	0.316	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-129.9	133.5	-177.5	-57	-62.4	178.6	77.4	5.4	110.8	F32 G50 Y51 D126 Y137	R30-F32 HydrophobicContact CB-CD2 4.43Å; R30-F32 HydrophobicContact CB-CE2 3.6Å; R30-F32 HydrophobicContact CB-CZ 3.94Å; R30-G50 CarbonylContact O-C 3.52Å; R30-G50 WeakPolarHBondContact O-CA 3.39Å; R30-Y51 PolarHBondContact N-O 2.95Å; R30-Y51 PolarHBondContact O-N 2.98Å; R30-D126 IonicContact CZ-OD1 3.51Å; R30-D126 IonicContact NE-OD1 3.58Å; R30-D126 PolarHBondContact NE-OD1 3.39Å; R30-D126 VanDerWaalsContact NH2-CG 3.34Å; R30-D126 IonicContact NH2-OD1 2.69Å; R30-D126 PolarHBondContact NH2-OD1 2.8Å; R30-D126 IonicContact NH2-OD2 3.17Å; R30-D126 PolarHBondContact NH2-OD2 3.49Å; R30-D126 VanDerWaalsContact NH2-OD2 3.14Å; R30-Y137 VanDerWaalsContact NH2-CZ 3.26Å; R30-Y137 PolarHBondContact NH2-OH 2.8Å
31	Y	98.7	Very high	86.3	Confident	13 Å²	13	58.1 Å²	58.1	5%	0.051	33%	0.325	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-111.3	137	169.1	-70	-86.8	0	0	0	109.4	M29 V49 F57 V58 M122 Y123	M29-Y31 HydrophobicContact CE-CE2 4.12Å; M29-Y31 HydrophobicContact CG-CE2 4.09Å; M29-Y31 HydrophobicContact SD-CE2 4Å; Y31-V49 WeakPolarHBondContact CA-O 3.34Å; Y31-F57 AromaticContact CE1-CZ 3.95Å; Y31-F57 HydrophobicContact CE1-CZ 3.95Å; Y31-F57 AromaticContact CZ-CZ 3.72Å; Y31-F57 WeakPolarHBondContact OH-CZ 3.46Å; Y31-V58 HydrophobicContact CE1-CG2 3.94Å; Y31-M122 WeakPolarHBondContact O-CA 3.22Å; Y31-Y123 VanDerWaalsContact CB-CZ 3.49Å; Y31-Y123 AromaticContact CD2-CE2 3.77Å; Y31-Y123 HydrophobicContact CD2-CE2 3.77Å; Y31-Y123 AromaticContact CD2-CZ 3.79Å; Y31-Y123 HydrophobicContact CG-CE1 4.18Å; Y31-Y123 HydrophobicContact CG-CE2 4.23Å; Y31-Y123 AromaticContact CG-CZ 3.76Å; Y31-Y123 PolarHBondContact N-O 2.84Å; Y31-Y123 PolarHBondContact O-N 2.7Å; Y31-Y123 VanDerWaalsContact O-N 3.07Å
32	F	98.8	Very high	88.8	Confident	85 Å²	85	53.2 Å²	53.2	37%	0.373	32%	0.319	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-122.7	130.7	176.2	-56.3	-96.7	0	0	0	108.6	R30 A48 V49 Y51 M121 M122	R30-F32 HydrophobicContact CB-CD2 4.43Å; R30-F32 HydrophobicContact CB-CE2 3.6Å; R30-F32 HydrophobicContact CB-CZ 3.94Å; F32-A48 CarbonylContact O-C 3.39Å; F32-A48 VanDerWaalsContact O-CA 3.32Å; F32-A48 WeakPolarHBondContact O-CA 3.25Å; F32-V49 HydrophobicContact CB-CG2 3.86Å; F32-V49 HydrophobicContact CD2-CG2 4.29Å; F32-V49 PolarHBondContact N-O 3Å; F32-V49 PolarHBondContact O-N 2.79Å; F32-Y51 HydrophobicContact CD2-CD2 4.26Å; F32-Y51 HydrophobicContact CE2-CD2 4.28Å; F32-M121 CarbonylContact C-O 3.53Å; F32-M121 WeakPolarHBondContact CA-O 3.46Å; F32-M122 HydrophobicContact CD1-CB 3.89Å; F32-M122 HydrophobicContact CD1-CG 3.6Å; F32-M122 HydrophobicContact CE1-CB 4.02Å; F32-M122 HydrophobicContact CE1-CG 3.31Å; F32-M122 HydrophobicContact CG-CG 4.42Å; F32-M122 HydrophobicContact CZ-CG 3.91Å
33	T	98.8	Very high	91.2	Very high	5 Å²	5	53 Å²	53	3%	0.031	31%	0.311	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-122.3	143	172.5	66.4	0	0	0	0	110.2	F46 I47 A48 Q120 M121	T33-F46 HydrophobicContact CG2-CE2 4.37Å; T33-F46 HydrophobicContact CG2-CZ 3.75Å; T33-I47 CarbonylContact C-O 3.58Å; T33-I47 VanDerWaalsContact CA-O 3.28Å; T33-I47 WeakPolarHBondContact CA-O 3.24Å; T33-A48 HydrophobicContact CG2-CB 3.8Å; T33-Q120 WeakPolarHBondContact O-CA 3.49Å; T33-M121 HydrophobicContact CG2-CE 3.77Å; T33-M121 PolarHBondContact N-O 3.02Å; T33-M121 PolarHBondContact O-N 2.94Å; T33-M121 WeakPolarHBondContact OG1-CB 3.2Å; T33-M121 WeakPolarHBondContact OG1-CE 3.28Å
34	T	98.9	Very high	93.5	Very high	46 Å²	46	51.7 Å²	51.7	28%	0.282	31%	0.309	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-134.5	124.6	176.7	-56.3	0	0	0	0	109	V36 F46 I47 T118 I119 Q120	T34-V36 HydrophobicContact CG2-CG2 3.98Å; T34-F46 WeakPolarHBondContact O-CA 3.46Å; T34-I47 PolarHBondContact N-O 2.76Å; T34-I47 PolarHBondContact O-N 2.81Å; T34-T118 HydrophobicContact CG2-CG2 3.9Å; T34-I119 WeakPolarHBondContact CA-O 3.44Å; T34-Q120 HydrophobicContact CG2-CG 4.08Å
35	S	98.7	Very high	95.6	Very high	2 Å²	2	52.9 Å²	52.9	1%	0.014	30%	0.299	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-120.3	116.7	179.2	-69.3	0	0	0	0	109.8	R45 F46 D98 T118 I119	S35-R45 CarbonylContact C-O 3.58Å; S35-R45 WeakPolarHBondContact CA-O 3.07Å; S35-F46 WeakPolarHBondContact OG-CD2 3.36Å; S35-D98 WeakPolarHBondContact OG-CB 3.47Å; S35-D98 PolarHBondContact OG-OD2 2.83Å; S35-T118 CarbonylContact O-C 3.49Å; S35-T118 VanDerWaalsContact O-CA 3.31Å; S35-T118 WeakPolarHBondContact O-CA 3.33Å; S35-I119 PolarHBondContact N-O 2.88Å; S35-I119 PolarHBondContact O-N 3.32Å
36	V	98.6	Very high	96.7	Very high	52 Å²	52	52 Å²	52	32%	0.315	29%	0.29	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-115.8	114.7	-176.7	-172.8	0	0	0	0	109.6	T34 P44 R45 T118	T34-V36 HydrophobicContact CG2-CG2 3.98Å; V36-P44 CarbonylContact O-C 3.54Å; V36-P44 WeakPolarHBondContact O-CA 3.34Å; V36-P44 WeakPolarHBondContact O-CB 3.34Å; V36-R45 PolarHBondContact N-O 3.09Å; V36-R45 PolarHBondContact O-N 3.18Å; V36-T118 HydrophobicContact CG2-CG2 4.14Å
37	S	98	Very high	97.1	Very high	16 Å²	16	51 Å²	51	11%	0.112	28%	0.279	C	S	.	.			trans	-69	143.5	173.4	76.4	0	0	0	0	110.6	S116 H117	S37-S116 WeakPolarHBondContact O-CB 3.3Å; S37-S116 PolarHBondContact O-OG 2.91Å; S37-H117 PolarHBondContact N-O 3.44Å; S37-H117 PolarHBondContact OG-N 2.94Å; S37-H117 PolarHBondContact OG-O 3.43Å
38	R	96.5	Very high	97.2	Very high	75 Å²	75	49.7 Å²	49.7	28%	0.283	27%	0.274	S	S	.	.			trans	-134.8	73.8	-179.3	54.5	175.6	175.6	-157.7	-11.8	111.2	G40 R41 E43 D63	R38-G40 PolarHBondContact O-N 2.87Å; R38-R41 HydrophobicContact CB-CB 4.11Å; R38-R41 WeakPolarHBondContact CD-O 3.35Å; R38-R41 HydrophobicContact CG-CB 4.13Å; R38-R41 PolarHBondContact NE-O 3.48Å; R38-R41 PolarHBondContact O-N 3Å; R38-E43 WeakPolarHBondContact CG-O 3.48Å; R38-E43 VanDerWaalsContact CZ-O 3.23Å; R38-E43 PolarHBondContact NE-O 2.86Å; R38-E43 PolarHBondContact NH2-O 3.25Å; R38-D63 IonicContact CZ-OD1 2.91Å; R38-D63 IonicContact CZ-OD2 2.8Å; R38-D63 IonicContact NH1-OD1 3.15Å; R38-D63 PolarHBondContact NH1-OD1 2.81Å; R38-D63 IonicContact NH1-OD2 3.09Å; R38-D63 PolarHBondContact NH1-OD2 2.8Å; R38-D63 IonicContact NH2-OD1 2.82Å; R38-D63 PolarHBondContact NH2-OD1 3.33Å; R38-D63 IonicContact NH2-OD2 3.06Å
39	P	93.6	Very high	97.3	Very high	56 Å²	56	50.1 Å²	50.1	36%	0.364	28%	0.275	S	S	.	.	T	Hydrogen-bonded Turn	trans	-49.2	130.6	-177.4	-26.8	34.2	0	0	0	112.4	R41 E113 G115	P39-R41 PolarHBondContact O-N 2.88Å; P39-E113 WeakPolarHBondContact CB-O 3.17Å; P39-E113 VanDerWaalsContact CG-O 3.26Å; P39-E113 WeakPolarHBondContact CG-O 3.48Å; P39-G115 WeakPolarHBondContact CG-O 3.45Å
40	G	92.4	Very high	97.3	Very high	91 Å²	91	50.1 Å²	50.1	94%	0.938	28%	0.275	S	S	*	.	T	Hydrogen-bonded Turn	trans	74	2.5	-177.9	0	0	0	0	0	115.9	R38	R38-G40 PolarHBondContact O-N 2.87Å
41	R	94.1	Very high	97.3	Very high	208 Å²	208	51.1 Å²	51.1	79%	0.785	28%	0.279	S	S	*	.	S	Bend	trans	-124.6	24.5	-179.6	-58.4	-175	-177.9	175.6	1.2	113.5	R38 P39	R38-R41 HydrophobicContact CB-CB 4.11Å; R38-R41 WeakPolarHBondContact CD-O 3.35Å; R38-R41 HydrophobicContact CG-CB 4.13Å; R38-R41 PolarHBondContact NE-O 3.48Å; R38-R41 PolarHBondContact O-N 3Å; P39-R41 PolarHBondContact O-N 2.88Å
42	G	92.5	Very high	97.3	Very high	60 Å²	60	50.5 Å²	50.5	62%	0.619	28%	0.277	S	S	*	.	S	Bend	trans	92.1	-160	179	0	0	0	0	0	113.7
43	E	94.9	Very high	97.1	Very high	90 Å²	90	47.9 Å²	47.9	42%	0.421	27%	0.267	S	S	.	.	S	Bend	trans	-67.9	152.2	-176.2	-65	-57.5	160.3	0	0	112.9	R38 R45 R99	R38-E43 WeakPolarHBondContact CG-O 3.48Å; R38-E43 VanDerWaalsContact CZ-O 3.23Å; R38-E43 PolarHBondContact NE-O 2.86Å; R38-E43 PolarHBondContact NH2-O 3.25Å; E43-R45 PolarHBondContact O-N 2.67Å; E43-R99 IonicContact OE1-CZ 3.87Å; E43-R99 IonicContact OE1-NE 3.23Å; E43-R99 IonicContact OE1-NH1 3.48Å; E43-R99 PolarHBondContact OE1-NH1 2.63Å; E43-R99 VanDerWaalsContact OE1-NH1 3.09Å; E43-R99 IonicContact OE1-NH2 3.51Å; E43-R99 PolarHBondContact OE1-NH2 3.47Å; E43-R99 WeakPolarHBondContact OE2-CD 3.48Å; E43-R99 IonicContact OE2-CZ 3.67Å; E43-R99 IonicContact OE2-NE 3.59Å; E43-R99 PolarHBondContact OE2-NE 2.89Å; E43-R99 IonicContact OE2-NH1 3.43Å; E43-R99 PolarHBondContact OE2-NH1 3.47Å; E43-R99 VanDerWaalsContact OE2-NH1 3.15Å; E43-R99 IonicContact OE2-NH2 3.93Å; E43-R99 PolarHBondContact OE2-NH2 3.37Å
44	P	97.4	Very high	96.9	Very high	24 Å²	24	50.7 Å²	50.7	16%	0.156	28%	0.282	C	S	.	.	P	Polyproline II helix	trans	-50.6	135.4	172.9	-25.9	34.9	0	0	0	111.9	V36 R99 L102	V36-P44 CarbonylContact O-C 3.54Å; V36-P44 WeakPolarHBondContact O-CA 3.34Å; V36-P44 WeakPolarHBondContact O-CB 3.34Å; P44-R99 HydrophobicContact CG-CB 4.43Å; P44-R99 HydrophobicContact CG-CG 4.22Å; P44-L102 HydrophobicContact CB-CD1 3.6Å; P44-L102 HydrophobicContact CG-CD1 3.66Å
45	R	98.4	Very high	96.8	Very high	92 Å²	92	49.6 Å²	49.6	35%	0.347	28%	0.275	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-76.8	128.8	173.2	-175.6	179.9	-178.9	-174.8	-0.4	108.4	S35 V36 E43 I47 D61 D63	S35-R45 CarbonylContact C-O 3.58Å; S35-R45 WeakPolarHBondContact CA-O 3.07Å; V36-R45 PolarHBondContact N-O 3.09Å; V36-R45 PolarHBondContact O-N 3.18Å; E43-R45 PolarHBondContact O-N 2.67Å; R45-I47 HydrophobicContact CG-CG1 4.43Å; R45-D61 IonicContact CZ-OD1 3.66Å; R45-D61 IonicContact CZ-OD2 2.79Å; R45-D61 IonicContact NE-OD1 2.78Å; R45-D61 PolarHBondContact NE-OD1 3.42Å; R45-D61 VanDerWaalsContact NE-OD1 3.12Å; R45-D61 IonicContact NE-OD2 2.66Å; R45-D61 IonicContact NH2-OD1 3.32Å; R45-D61 PolarHBondContact NH2-OD1 2.94Å; R45-D61 IonicContact NH2-OD2 3.04Å; R45-D61 PolarHBondContact NH2-OD2 2.92Å; R45-D63 WeakPolarHBondContact CD-OD2 3.34Å; R45-D63 IonicContact NE-OD2 3.06Å
46	F	98.7	Very high	96.7	Very high	1 Å²	1	52 Å²	52	0%	0.004	29%	0.286	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-115.7	127.2	178.7	178.1	-79	0	0	0	109.7	T33 T34 S35 A48 F60 S62 V91 Q94 S95 D98	T33-F46 HydrophobicContact CG2-CE2 4.37Å; T33-F46 HydrophobicContact CG2-CZ 3.75Å; T34-F46 WeakPolarHBondContact O-CA 3.46Å; S35-F46 WeakPolarHBondContact OG-CD2 3.36Å; F46-A48 HydrophobicContact CE1-CB 3.71Å; F46-A48 HydrophobicContact CZ-CB 4.13Å; F46-F60 AromaticContact CD1-CD1 3.71Å; F46-F60 HydrophobicContact CD1-CD1 3.71Å; F46-F60 AromaticContact CD1-CE1 3.82Å; F46-F60 HydrophobicContact CD1-CE1 3.82Å; F46-F60 AromaticContact CE1-CD1 4Å; F46-F60 HydrophobicContact CE1-CD1 4Å; F46-F60 HydrophobicContact CE1-CE1 4.39Å; F46-S62 PolarHBondContact N-OG 3.24Å; F46-S62 PolarHBondContact O-N 3.11Å; F46-S62 PolarHBondContact O-OG 3.1Å; F46-V91 HydrophobicContact CE1-CG2 3.6Å; F46-V91 HydrophobicContact CZ-CG2 4Å; F46-Q94 HydrophobicContact CE2-CB 4.38Å; F46-Q94 HydrophobicContact CE2-CG 3.96Å; F46-Q94 HydrophobicContact CZ-CB 4.23Å; F46-Q94 HydrophobicContact CZ-CG 4.04Å; F46-S95 WeakPolarHBondContact CB-OG 3.23Å; F46-S95 VanDerWaalsContact CD2-CA 3.42Å; F46-S95 VanDerWaalsContact CG-CB 3.5Å; F46-D98 HydrophobicContact CD2-CB 4.38Å; F46-D98 WeakPolarHBondContact CE2-OD2 3.35Å
47	I	98.8	Very high	96.7	Very high	49 Å²	49	49.5 Å²	49.5	25%	0.251	27%	0.271	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-124	134.9	174.9	-59.8	173.3	0	0	0	108	T33 T34 R45 V49 F60	T33-I47 CarbonylContact C-O 3.58Å; T33-I47 VanDerWaalsContact CA-O 3.28Å; T33-I47 WeakPolarHBondContact CA-O 3.24Å; T34-I47 PolarHBondContact N-O 2.76Å; T34-I47 PolarHBondContact O-N 2.81Å; R45-I47 HydrophobicContact CG-CG1 4.43Å; I47-V49 HydrophobicContact CG2-CG1 4.41Å; I47-F60 WeakPolarHBondContact CA-O 3.13Å
48	A	98.8	Very high	96.8	Very high	6 Å²	6	48.7 Å²	48.7	5%	0.05	27%	0.265	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-126.8	142	168.9	0	0	0	0	0	110.6	F32 T33 F46 R59 F60 V91	F32-A48 CarbonylContact O-C 3.39Å; F32-A48 VanDerWaalsContact O-CA 3.32Å; F32-A48 WeakPolarHBondContact O-CA 3.25Å; T33-A48 HydrophobicContact CG2-CB 3.8Å; F46-A48 HydrophobicContact CE1-CB 3.71Å; F46-A48 HydrophobicContact CZ-CB 4.13Å; A48-R59 CarbonylContact O-C 3.56Å; A48-R59 VanDerWaalsContact O-CA 3.31Å; A48-R59 WeakPolarHBondContact O-CA 3.43Å; A48-F60 HydrophobicContact CB-CB 4.29Å; A48-F60 PolarHBondContact N-O 3.44Å; A48-F60 PolarHBondContact O-N 2.99Å; A48-V91 HydrophobicContact CB-CG2 3.52Å
49	V	98.9	Very high	96.9	Very high	32 Å²	32	49.4 Å²	49.4	19%	0.194	27%	0.268	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-135.8	143.8	174.2	-62.8	0	0	0	0	109.7	Y31 F32 I47 Y51 V58 R59	Y31-V49 WeakPolarHBondContact CA-O 3.34Å; F32-V49 HydrophobicContact CB-CG2 3.86Å; F32-V49 HydrophobicContact CD2-CG2 4.29Å; F32-V49 PolarHBondContact N-O 3Å; F32-V49 PolarHBondContact O-N 2.79Å; I47-V49 HydrophobicContact CG2-CG1 4.41Å; V49-Y51 HydrophobicContact CB-CE2 4.09Å; V49-Y51 HydrophobicContact CG2-CD2 4.33Å; V49-Y51 HydrophobicContact CG2-CE2 3.84Å; V49-V58 WeakPolarHBondContact CA-O 3.37Å; V49-R59 HydrophobicContact CG1-CB 4.47Å; V49-R59 HydrophobicContact CG1-CG 4.22Å
50	G	98.7	Very high	97.1	Very high	0 Å²	0	47 Å²	47	0%	0	25%	0.251	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-120.7	138.1	175.8	0	0	0	0	0	110.5	R30 Q56 F57 V58	R30-G50 CarbonylContact O-C 3.52Å; R30-G50 WeakPolarHBondContact O-CA 3.39Å; G50-Q56 WeakPolarHBondContact O-CA 3.39Å; G50-F57 WeakPolarHBondContact O-CD1 2.93Å; G50-F57 PolarHBondContact O-N 3.01Å; G50-V58 PolarHBondContact N-O 2.92Å; G50-V58 VanDerWaalsContact N-O 3.1Å; G50-V58 PolarHBondContact O-N 3.34Å
51	Y	98.6	Very high	97.4	Very high	71 Å²	71	43.4 Å²	43.4	28%	0.278	21%	0.211	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-125.4	141.4	178.8	-77	-102.6	0	0	0	110.5	M29 R30 F32 V49 T55 Q56	M29-Y51 CarbonylContact C-O 3.57Å; M29-Y51 WeakPolarHBondContact CA-O 3.33Å; R30-Y51 PolarHBondContact N-O 2.95Å; R30-Y51 PolarHBondContact O-N 2.98Å; F32-Y51 HydrophobicContact CD2-CD2 4.26Å; F32-Y51 HydrophobicContact CE2-CD2 4.28Å; V49-Y51 HydrophobicContact CB-CE2 4.09Å; V49-Y51 HydrophobicContact CG2-CD2 4.33Å; V49-Y51 HydrophobicContact CG2-CE2 3.84Å; Y51-T55 WeakPolarHBondContact CA-O 3.46Å; Y51-T55 VanDerWaalsContact CD1-C 3.44Å; Y51-Q56 HydrophobicContact CD1-CB 4.03Å; Y51-Q56 VanDerWaalsContact CD1-N 3.27Å; Y51-Q56 HydrophobicContact CD2-CB 4.48Å; Y51-Q56 HydrophobicContact CD2-CG 4.33Å; Y51-Q56 HydrophobicContact CE1-CB 3.52Å; Y51-Q56 HydrophobicContact CE1-CG 4.27Å; Y51-Q56 HydrophobicContact CE2-CB 4.03Å; Y51-Q56 HydrophobicContact CE2-CG 3.84Å; Y51-Q56 HydrophobicContact CG-CB 4.46Å
52	V	98.3	Very high	97.6	Very high	0 Å²	0	34.3 Å²	34.3	0%	0	18%	0.179	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-108.9	119.5	156.3	177.1	0	0	0	0	105.9	S28 M29 D54 T55 F57 W75 L192 Y195 L196 L203	S28-V52 CarbonylContact O-C 3.57Å; S28-V52 VanDerWaalsContact O-CA 3.31Å; S28-V52 WeakPolarHBondContact O-CA 3.42Å; M29-V52 HydrophobicContact CG-CG2 4.37Å; V52-D54 PolarHBondContact O-N 3.17Å; V52-T55 PolarHBondContact N-O 2.88Å; V52-T55 PolarHBondContact O-N 3.17Å; V52-F57 HydrophobicContact CG2-CD1 4.02Å; V52-F57 HydrophobicContact CG2-CE1 4.01Å; V52-W75 HydrophobicContact CG2-CH2 3.97Å; V52-L192 HydrophobicContact CG1-CD1 3.6Å; V52-L192 HydrophobicContact CG2-CD1 4.24Å; V52-Y195 HydrophobicContact CG2-CD2 3.97Å; V52-Y195 HydrophobicContact CG2-CG 4.49Å; V52-L196 HydrophobicContact CG1-CD2 4.03Å; V52-L203 HydrophobicContact CB-CD1 4.23Å; V52-L203 HydrophobicContact CB-CD2 4.1Å; V52-L203 HydrophobicContact CG1-CD1 3.89Å; V52-L203 HydrophobicContact CG1-CD2 4.09Å; V52-L203 HydrophobicContact CG1-CG 4.49Å
53	D	95.8	Very high	97.8	Very high	30 Å²	30	35 Å²	35	16%	0.16	17%	0.169	C	C	.	.	T	Hydrogen-bonded Turn	trans	48.1	-126.8	-167.2	-53.1	-41.2	0	0	0	110.4	H27 S28 T55	H27-D53 VanDerWaalsContact CA-OD1 3.25Å; H27-D53 WeakPolarHBondContact CA-OD1 3.39Å; H27-D53 IonicContact CE1-OD2 3.14Å; H27-D53 IonicContact CG-OD2 3.91Å; H27-D53 IonicContact ND1-OD1 3.98Å; H27-D53 IonicContact ND1-OD2 2.97Å; H27-D53 PolarHBondContact ND1-OD2 3.5Å; S28-D53 PolarHBondContact N-OD1 3.23Å; S28-D53 PolarHBondContact O-N 3.43Å; S28-D53 PolarHBondContact OG-OD1 3.01Å; D53-T55 VanDerWaalsContact C-N 3.31Å; D53-T55 PolarHBondContact O-N 2.88Å
54	D	95	Very high	97.9	Very high	64 Å²	64	32.1 Å²	32.1	34%	0.342	16%	0.161	S	C	.	.	T	Hydrogen-bonded Turn	trans	-89.3	11.3	178.8	-57.2	-54.9	0	0	0	113.8	V52 Y233 P234 A235 F265	V52-D54 PolarHBondContact O-N 3.17Å; D54-Y233 HydrophobicContact CB-CE2 4.24Å; D54-P234 WeakPolarHBondContact OD2-CB 3.33Å; D54-A235 HydrophobicContact CB-CB 4.26Å; D54-A235 VanDerWaalsContact OD2-CB 3.31Å; D54-A235 WeakPolarHBondContact OD2-CB 3.39Å; D54-A235 PolarHBondContact OD2-N 3.19Å; D54-F265 HydrophobicContact CB-CE2 3.79Å; D54-F265 HydrophobicContact CB-CZ 3.64Å
55	T	96.2	Very high	97.9	Very high	22 Å²	22	36.4 Å²	36.4	14%	0.135	20%	0.198	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-109.6	113.9	-176.6	-60.8	0	0	0	0	112.3	Y51 V52 D53 F57 L203 Y233	Y51-T55 WeakPolarHBondContact CA-O 3.46Å; Y51-T55 VanDerWaalsContact CD1-C 3.44Å; V52-T55 PolarHBondContact N-O 2.88Å; V52-T55 PolarHBondContact O-N 3.17Å; D53-T55 VanDerWaalsContact C-N 3.31Å; D53-T55 PolarHBondContact O-N 2.88Å; T55-F57 PolarHBondContact O-N 3.2Å; T55-L203 HydrophobicContact CG2-CD2 4.07Å; T55-Y233 PolarHBondContact OG1-OH 2.87Å
56	Q	97.6	Very high	97.7	Very high	52 Å²	52	34.5 Å²	34.5	24%	0.243	20%	0.199	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-66.9	131.3	173	-166	178.1	0.3	0	0	110.5	G50 Y51 V58 R72	G50-Q56 WeakPolarHBondContact O-CA 3.39Å; Y51-Q56 HydrophobicContact CD1-CB 4.03Å; Y51-Q56 VanDerWaalsContact CD1-N 3.27Å; Y51-Q56 HydrophobicContact CD2-CB 4.48Å; Y51-Q56 HydrophobicContact CD2-CG 4.33Å; Y51-Q56 HydrophobicContact CE1-CB 3.52Å; Y51-Q56 HydrophobicContact CE1-CG 4.27Å; Y51-Q56 HydrophobicContact CE2-CB 4.03Å; Y51-Q56 HydrophobicContact CE2-CG 3.84Å; Y51-Q56 HydrophobicContact CG-CB 4.46Å; Q56-V58 PolarHBondContact NE2-O 3.47Å; Q56-R72 HydrophobicContact CG-CB 4.14Å; Q56-R72 HydrophobicContact CG-CG 4.36Å
57	F	98.3	Very high	97.5	Very high	0 Å²	0	38.8 Å²	38.8	0%	0	22%	0.219	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-121.7	-22.2	179.5	74.2	-83	0	0	0	114.5	M29 Y31 G50 V52 T55 R72 A73 W75 I76 Y195	M29-F57 HydrophobicContact CG-CE1 4.41Å; M29-F57 HydrophobicContact SD-CZ 4.25Å; Y31-F57 AromaticContact CE1-CZ 3.95Å; Y31-F57 HydrophobicContact CE1-CZ 3.95Å; Y31-F57 AromaticContact CZ-CZ 3.72Å; Y31-F57 WeakPolarHBondContact OH-CZ 3.46Å; G50-F57 WeakPolarHBondContact O-CD1 2.93Å; G50-F57 PolarHBondContact O-N 3.01Å; V52-F57 HydrophobicContact CG2-CD1 4.02Å; V52-F57 HydrophobicContact CG2-CE1 4.01Å; T55-F57 PolarHBondContact O-N 3.2Å; F57-R72 PolarHBondContact O-N 2.96Å; F57-A73 HydrophobicContact CB-CB 4.11Å; F57-W75 HydrophobicContact CB-CH2 3.14Å; F57-W75 HydrophobicContact CB-CZ2 3.33Å; F57-W75 HydrophobicContact CB-CZ3 3.99Å; F57-W75 HydrophobicContact CD1-CH2 4.06Å; F57-W75 AromaticContact CD2-CH2 3.78Å; F57-W75 HydrophobicContact CD2-CH2 3.78Å; F57-W75 HydrophobicContact CD2-CZ3 4.1Å; F57-W75 AromaticContact CG-CH2 3.43Å; F57-W75 HydrophobicContact CG-CH2 3.43Å; F57-W75 VanDerWaalsContact CG-CH2 3.43Å; F57-W75 HydrophobicContact CG-CZ2 4.08Å; F57-W75 HydrophobicContact CG-CZ3 4.19Å; F57-I76 HydrophobicContact CD2-CB 4.44Å; F57-I76 HydrophobicContact CD2-CD1 3.97Å; F57-I76 HydrophobicContact CD2-CG1 4.01Å; F57-I76 HydrophobicContact CE2-CD1 4.31Å; F57-I76 VanDerWaalsContact O-CG2 3.27Å; F57-I76 WeakPolarHBondContact O-CG2 3.45Å; F57-Y195 HydrophobicContact CD2-CE2 4.46Å; F57-Y195 HydrophobicContact CE2-CD2 4.19Å; F57-Y195 AromaticContact CE2-CE2 3.61Å; F57-Y195 HydrophobicContact CE2-CE2 3.61Å; F57-Y195 AromaticContact CE2-CZ 3.97Å; F57-Y195 HydrophobicContact CZ-CD2 4.23Å; F57-Y195 AromaticContact CZ-CE2 3.76Å; F57-Y195 HydrophobicContact CZ-CE2 3.76Å
58	V	98.6	Very high	97.5	Very high	0 Å²	0	43.7 Å²	43.7	0%	0	23%	0.234	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-140.3	155	176.4	-72.1	0	0	0	0	112.7	Y31 V49 G50 Q56 M69 E70 I76 W84	Y31-V58 HydrophobicContact CE1-CG2 3.94Å; V49-V58 WeakPolarHBondContact CA-O 3.37Å; G50-V58 PolarHBondContact N-O 2.92Å; G50-V58 VanDerWaalsContact N-O 3.1Å; G50-V58 PolarHBondContact O-N 3.34Å; Q56-V58 PolarHBondContact NE2-O 3.47Å; V58-M69 HydrophobicContact CB-CG 4.1Å; V58-M69 HydrophobicContact CB-SD 3.72Å; V58-M69 HydrophobicContact CG1-CG 4.17Å; V58-M69 HydrophobicContact CG1-SD 4.43Å; V58-M69 HydrophobicContact CG2-SD 4.12Å; V58-E70 WeakPolarHBondContact CA-O 3.32Å; V58-I76 HydrophobicContact CG1-CG1 4.37Å; V58-W84 HydrophobicContact CG1-CH2 4.11Å; V58-W84 HydrophobicContact CG1-CZ3 3.9Å
59	R	98.6	Very high	97.5	Very high	89 Å²	89	44 Å²	44	34%	0.336	24%	0.235	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-146.2	143.5	172.8	178.7	171.2	167.3	179.3	-2.4	111.4	A48 V49 D61 M69 E70 R72	A48-R59 CarbonylContact O-C 3.56Å; A48-R59 VanDerWaalsContact O-CA 3.31Å; A48-R59 WeakPolarHBondContact O-CA 3.43Å; V49-R59 HydrophobicContact CG1-CB 4.47Å; V49-R59 HydrophobicContact CG1-CG 4.22Å; R59-D61 IonicContact NH2-OD2 3.75Å; R59-D61 PolarHBondContact NH2-OD2 3.44Å; R59-M69 VanDerWaalsContact C-SD 3.54Å; R59-E70 PolarHBondContact N-O 2.96Å; R59-E70 PolarHBondContact O-N 3.34Å; R59-R72 HydrophobicContact CB-CG 3.88Å
60	F	98.8	Very high	97.4	Very high	5 Å²	5	45.2 Å²	45.2	2%	0.022	24%	0.238	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-128.3	144.5	164.5	177.3	-86.2	0	0	0	109.8	F46 I47 A48 Q67 R68 M69 V91 K92	F46-F60 AromaticContact CD1-CD1 3.71Å; F46-F60 HydrophobicContact CD1-CD1 3.71Å; F46-F60 AromaticContact CD1-CE1 3.82Å; F46-F60 HydrophobicContact CD1-CE1 3.82Å; F46-F60 AromaticContact CE1-CD1 4Å; F46-F60 HydrophobicContact CE1-CD1 4Å; F46-F60 HydrophobicContact CE1-CE1 4.39Å; I47-F60 WeakPolarHBondContact CA-O 3.13Å; A48-F60 HydrophobicContact CB-CB 4.29Å; A48-F60 PolarHBondContact N-O 3.44Å; A48-F60 PolarHBondContact O-N 2.99Å; F60-Q67 VanDerWaalsContact CE2-C 3.46Å; F60-Q67 HydrophobicContact CE2-CB 4.46Å; F60-Q67 WeakPolarHBondContact CE2-O 3.1Å; F60-Q67 HydrophobicContact CZ-CB 4.49Å; F60-R68 WeakPolarHBondContact CD2-O 3.48Å; F60-M69 HydrophobicContact CB-CE 4.13Å; F60-M69 HydrophobicContact CB-SD 3.99Å; F60-V91 HydrophobicContact CB-CG1 3.87Å; F60-V91 HydrophobicContact CB-CG2 4.24Å; F60-V91 HydrophobicContact CD1-CG1 3.82Å; F60-V91 HydrophobicContact CD1-CG2 4.46Å; F60-V91 HydrophobicContact CD2-CG1 3.23Å; F60-V91 HydrophobicContact CE1-CG1 4.13Å; F60-V91 HydrophobicContact CE2-CG1 3.57Å; F60-V91 HydrophobicContact CG-CB 4.47Å; F60-V91 HydrophobicContact CG-CG1 3.36Å; F60-V91 HydrophobicContact CG-CG2 4.34Å; F60-V91 HydrophobicContact CZ-CG1 4.02Å; F60-K92 HydrophobicContact CE2-CG 4.2Å; F60-K92 HydrophobicContact CZ-CG 4.07Å
61	D	98.6	Very high	97.4	Very high	16 Å²	16	47.3 Å²	47.3	9%	0.086	25%	0.252	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-139.7	121.5	174	-164.9	-27	0	0	0	108.8	R45 R59 D63 A64	R45-D61 IonicContact CZ-OD1 3.66Å; R45-D61 IonicContact CZ-OD2 2.79Å; R45-D61 IonicContact NE-OD1 2.78Å; R45-D61 PolarHBondContact NE-OD1 3.42Å; R45-D61 VanDerWaalsContact NE-OD1 3.12Å; R45-D61 IonicContact NE-OD2 2.66Å; R45-D61 IonicContact NH2-OD1 3.32Å; R45-D61 PolarHBondContact NH2-OD1 2.94Å; R45-D61 IonicContact NH2-OD2 3.04Å; R45-D61 PolarHBondContact NH2-OD2 2.92Å; R59-D61 IonicContact NH2-OD2 3.75Å; R59-D61 PolarHBondContact NH2-OD2 3.44Å; D61-D63 PolarHBondContact O-N 3.17Å; D61-D63 PolarHBondContact OD1-N 2.99Å; D61-A64 HydrophobicContact CB-CB 4.14Å; D61-A64 WeakPolarHBondContact O-CB 3.03Å; D61-A64 PolarHBondContact O-N 3.18Å; D61-A64 VanDerWaalsContact O-N 3.13Å
62	S	98.2	Very high	97.4	Very high	17 Å²	17	49.1 Å²	49.1	12%	0.119	26%	0.258	C	S	.	.	T	Hydrogen-bonded Turn	trans	-64.7	-23.9	-178.7	65.2	0	0	0	0	113.1	F46 Q67	F46-S62 PolarHBondContact N-OG 3.24Å; F46-S62 PolarHBondContact O-N 3.11Å; F46-S62 PolarHBondContact O-OG 3.1Å; S62-Q67 PolarHBondContact O-NE2 3.21Å
63	D	97.6	Very high	97.3	Very high	74 Å²	74	49.3 Å²	49.3	40%	0.396	26%	0.26	S	S	.	.	T	Hydrogen-bonded Turn	trans	-87.2	-6.6	179.2	-73.9	0.8	0	0	0	112.2	R38 R45 D61	R38-D63 IonicContact CZ-OD1 2.91Å; R38-D63 IonicContact CZ-OD2 2.8Å; R38-D63 IonicContact NH1-OD1 3.15Å; R38-D63 PolarHBondContact NH1-OD1 2.81Å; R38-D63 IonicContact NH1-OD2 3.09Å; R38-D63 PolarHBondContact NH1-OD2 2.8Å; R38-D63 IonicContact NH2-OD1 2.82Å; R38-D63 PolarHBondContact NH2-OD1 3.33Å; R38-D63 IonicContact NH2-OD2 3.06Å; R45-D63 WeakPolarHBondContact CD-OD2 3.34Å; R45-D63 IonicContact NE-OD2 3.06Å; D61-D63 PolarHBondContact O-N 3.17Å; D61-D63 PolarHBondContact OD1-N 2.99Å
64	A	97.2	Very high	97.3	Very high	31 Å²	31	52.9 Å²	52.9	26%	0.256	29%	0.285	S	S	.	.	S	Bend	trans	-71.7	146.2	174.6	0	0	0	0	0	111.4	D61 S66 Q67	D61-A64 HydrophobicContact CB-CB 4.14Å; D61-A64 WeakPolarHBondContact O-CB 3.03Å; D61-A64 PolarHBondContact O-N 3.18Å; D61-A64 VanDerWaalsContact O-N 3.13Å; A64-S66 VanDerWaalsContact C-N 3.29Å; A64-S66 PolarHBondContact O-N 2.03Å; A64-Q67 WeakPolarHBondContact O-CG 3.19Å; A64-Q67 PolarHBondContact O-N 2.91Å
65	A	96.4	Very high	97.4	Very high	114 Å²	114	50.6 Å²	50.6	94%	0.942	27%	0.271	S	S	*	.	S	Bend	trans	-63.3	-33.1	-179.7	0	0	0	0	0	113.5
66	S	93.4	Very high	97.5	Very high	51 Å²	51	49.5 Å²	49.5	36%	0.357	27%	0.265	S	S	.	.	S	Bend	trans	-71.8	-33.4	179	61.3	0	0	0	0	112.2	A64 R68 E70	A64-S66 VanDerWaalsContact C-N 3.29Å; A64-S66 PolarHBondContact O-N 2.03Å; S66-R68 WeakPolarHBondContact O-CG 3.24Å; S66-R68 PolarHBondContact O-N 3.34Å; S66-E70 PolarHBondContact OG-OE1 2.98Å
67	Q	95.9	Very high	97.4	Very high	92 Å²	92	53 Å²	53	43%	0.43	28%	0.281	S	S	.	.			trans	39.2	50.4	-168.1	-59.1	-172.9	-22.9	0	0	111.8	F60 S62 A64 K92	F60-Q67 VanDerWaalsContact CE2-C 3.46Å; F60-Q67 HydrophobicContact CE2-CB 4.46Å; F60-Q67 WeakPolarHBondContact CE2-O 3.1Å; F60-Q67 HydrophobicContact CZ-CB 4.49Å; S62-Q67 PolarHBondContact O-NE2 3.21Å; A64-Q67 WeakPolarHBondContact O-CG 3.19Å; A64-Q67 PolarHBondContact O-N 2.91Å; Q67-K92 WeakPolarHBondContact O-CE 3.23Å; Q67-K92 PolarHBondContact O-NZ 3.27Å
68	R	97.9	Very high	97.3	Very high	152 Å²	152	58.7 Å²	58.7	57%	0.574	31%	0.308	S	S	*	.	S	Bend	trans	-126.5	156	-180	-82.2	177.3	170.5	173.7	-2.8	110.5	F60 S66 E70 T88	F60-R68 WeakPolarHBondContact CD2-O 3.48Å; S66-R68 WeakPolarHBondContact O-CG 3.24Å; S66-R68 PolarHBondContact O-N 3.34Å; R68-E70 PolarHBondContact O-N 3.37Å; R68-T88 HydrophobicContact CB-CG2 4.49Å; R68-T88 HydrophobicContact CG-CG2 4.09Å
69	M	98.3	Very high	97.3	Very high	12 Å²	12	59.2 Å²	59.2	6%	0.059	31%	0.31	C	S	.	.			trans	-68.3	125.8	167.8	-171.4	64.3	76.4	0	0	108.1	V58 R59 F60 W84 Q87 T88 V91	V58-M69 HydrophobicContact CB-CG 4.1Å; V58-M69 HydrophobicContact CB-SD 3.72Å; V58-M69 HydrophobicContact CG1-CG 4.17Å; V58-M69 HydrophobicContact CG1-SD 4.43Å; V58-M69 HydrophobicContact CG2-SD 4.12Å; R59-M69 VanDerWaalsContact C-SD 3.54Å; F60-M69 HydrophobicContact CB-CE 4.13Å; F60-M69 HydrophobicContact CB-SD 3.99Å; M69-W84 HydrophobicContact CB-CE3 4.26Å; M69-W84 HydrophobicContact CG-CE3 4.2Å; M69-W84 HydrophobicContact CG-CZ3 4.04Å; M69-Q87 HydrophobicContact CB-CB 4.02Å; M69-Q87 HydrophobicContact CE-CB 4.43Å; M69-Q87 HydrophobicContact CG-CB 3.98Å; M69-T88 PolarHBondContact N-OG1 3.09Å; M69-V91 HydrophobicContact CE-CB 3.89Å; M69-V91 HydrophobicContact CE-CG1 4.13Å; M69-V91 HydrophobicContact CE-CG2 3.87Å
70	E	98.2	Very high	97.2	Very high	57 Å²	57	56.7 Å²	56.7	27%	0.266	31%	0.312	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-114.1	140.8	-175.1	-67.5	177.1	177.5	0	0	110.8	V58 R59 S66 R68 R72	V58-E70 WeakPolarHBondContact CA-O 3.32Å; R59-E70 PolarHBondContact N-O 2.96Å; R59-E70 PolarHBondContact O-N 3.34Å; S66-E70 PolarHBondContact OG-OE1 2.98Å; R68-E70 PolarHBondContact O-N 3.37Å; E70-R72 IonicContact OE2-CZ 3.51Å; E70-R72 IonicContact OE2-NH1 2.81Å; E70-R72 IonicContact OE2-NH2 3.77Å; E70-R72 PolarHBondContact OE2-NH2 3.31Å
71	P	98.2	Very high	97.2	Very high	45 Å²	45	61.1 Å²	61.1	29%	0.292	34%	0.341	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-67.2	146.4	173.2	28.6	-34	0	0	0	111.3	I76 E77 W84	P71-I76 HydrophobicContact CB-CG2 3.69Å; P71-E77 HydrophobicContact CB-CG 3.8Å; P71-E77 HydrophobicContact CG-CG 4.06Å; P71-W84 HydrophobicContact CB-CH2 3.63Å; P71-W84 HydrophobicContact CB-CZ2 4.03Å; P71-W84 HydrophobicContact CB-CZ3 4.49Å; P71-W84 HydrophobicContact CG-CH2 4.24Å; P71-W84 HydrophobicContact CG-CZ2 4.44Å
72	R	97.6	Very high	97.1	Very high	108 Å²	108	68.4 Å²	68.4	41%	0.408	38%	0.375	S	S	.	.			trans	-128.7	-0.6	173.1	-62.3	-63.5	177.2	-131.8	-3.2	113.5	Q56 F57 R59 E70	Q56-R72 HydrophobicContact CG-CB 4.14Å; Q56-R72 HydrophobicContact CG-CG 4.36Å; F57-R72 PolarHBondContact O-N 2.96Å; R59-R72 HydrophobicContact CB-CG 3.88Å; E70-R72 IonicContact OE2-CZ 3.51Å; E70-R72 IonicContact OE2-NH1 2.81Å; E70-R72 IonicContact OE2-NH2 3.77Å; E70-R72 PolarHBondContact OE2-NH2 3.31Å
73	A	96.5	Very high	97.1	Very high	5 Å²	5	68.2 Å²	68.2	4%	0.041	37%	0.372	C	S	.	.	S	Bend	trans	-136.9	143	173.7	0	0	0	0	0	110.9	F57 W75 I76	F57-A73 HydrophobicContact CB-CB 4.11Å; A73-W75 VanDerWaalsContact C-N 3.26Å; 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 2.8Å; A73-I76 WeakPolarHBondContact O-CG2 3.31Å; A73-I76 PolarHBondContact O-N 2.98Å
74	P	96.8	Very high	97.2	Very high	105 Å²	105	66.7 Å²	66.7	68%	0.682	36%	0.36	S	S	*	.	G	3₁₀ helix	trans	-59.1	-34.9	-177.4	-26.9	35	0	0	0	114	I76 E77	P74-I76 PolarHBondContact O-N 2.77Å; P74-E77 WeakPolarHBondContact O-CB 3.3Å; P74-E77 PolarHBondContact O-N 3.36Å
75	W	96.6	Very high	97.2	Very high	15 Å²	15	69.3 Å²	69.3	6%	0.057	37%	0.37	C	S	.	.	G	3₁₀ helix	trans	-71.7	-14.4	-176.3	54	-105.8	0	0	0	114.2	V52 F57 A73 Q78 Y195 L203	V52-W75 HydrophobicContact CG2-CH2 3.97Å; F57-W75 HydrophobicContact CB-CH2 3.14Å; F57-W75 HydrophobicContact CB-CZ2 3.33Å; F57-W75 HydrophobicContact CB-CZ3 3.99Å; F57-W75 HydrophobicContact CD1-CH2 4.06Å; F57-W75 AromaticContact CD2-CH2 3.78Å; F57-W75 HydrophobicContact CD2-CH2 3.78Å; F57-W75 HydrophobicContact CD2-CZ3 4.1Å; F57-W75 AromaticContact CG-CH2 3.43Å; F57-W75 HydrophobicContact CG-CH2 3.43Å; F57-W75 VanDerWaalsContact CG-CH2 3.43Å; F57-W75 HydrophobicContact CG-CZ2 4.08Å; F57-W75 HydrophobicContact CG-CZ3 4.19Å; A73-W75 VanDerWaalsContact C-N 3.26Å; 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 2.8Å; W75-Q78 WeakPolarHBondContact O-CG 3.26Å; W75-Q78 PolarHBondContact O-NE2 2.69Å; W75-Y195 HydrophobicContact CH2-CG 4.2Å; W75-Y195 AromaticContact CZ3-CD1 3.79Å; W75-Y195 HydrophobicContact CZ3-CD1 3.79Å; W75-Y195 HydrophobicContact CZ3-CD2 4.36Å; W75-Y195 AromaticContact CZ3-CG 3.68Å; W75-Y195 HydrophobicContact CZ3-CG 3.68Å; W75-L203 HydrophobicContact CD2-CD1 4.47Å; W75-L203 HydrophobicContact CH2-CD1 4.3Å; W75-L203 HydrophobicContact CZ2-CD1 3.83Å; W75-L203 HydrophobicContact CZ2-CD2 4.09Å; W75-L203 HydrophobicContact CZ2-CG 4.36Å
76	I	97.9	Very high	97.3	Very high	0 Å²	0	67.4 Å²	67.4	0%	0	34%	0.344	C	S	.	.	G	3₁₀ helix	trans	-89.5	-19.4	174.3	-163.4	71.4	0	0	0	111.9	F57 V58 P71 A73 P74 Q78 E79 Y83 W84 Y195	F57-I76 HydrophobicContact CD2-CB 4.44Å; F57-I76 HydrophobicContact CD2-CD1 3.97Å; F57-I76 HydrophobicContact CD2-CG1 4.01Å; F57-I76 HydrophobicContact CE2-CD1 4.31Å; F57-I76 VanDerWaalsContact O-CG2 3.27Å; F57-I76 WeakPolarHBondContact O-CG2 3.45Å; V58-I76 HydrophobicContact CG1-CG1 4.37Å; P71-I76 HydrophobicContact CB-CG2 3.69Å; A73-I76 WeakPolarHBondContact O-CG2 3.31Å; A73-I76 PolarHBondContact O-N 2.98Å; P74-I76 PolarHBondContact O-N 2.77Å; I76-Q78 PolarHBondContact O-N 2.92Å; I76-Q78 VanDerWaalsContact O-N 3.14Å; I76-E79 HydrophobicContact CD1-CG 3.68Å; I76-E79 HydrophobicContact CG1-CG 4.21Å; I76-E79 WeakPolarHBondContact O-CB 3.13Å; I76-E79 WeakPolarHBondContact O-CG 3.3Å; I76-E79 PolarHBondContact O-N 3.04Å; I76-Y83 HydrophobicContact CD1-CE1 4.15Å; I76-Y83 HydrophobicContact CG1-CE1 4.15Å; I76-W84 HydrophobicContact CB-CH2 4.49Å; I76-W84 HydrophobicContact CG1-CH2 3.81Å; I76-W84 HydrophobicContact CG1-CZ2 4.08Å; I76-W84 HydrophobicContact CG2-CH2 4Å; I76-W84 HydrophobicContact CG2-CZ2 4.4Å; I76-W84 WeakPolarHBondContact O-CZ2 3.29Å; I76-Y195 HydrophobicContact CD1-CD1 3.81Å; I76-Y195 HydrophobicContact CD1-CE1 3.3Å
77	E	96.9	Very high	97.5	Very high	125 Å²	125	66.1 Å²	66.1	58%	0.584	33%	0.332	S	S	*	.	T	Hydrogen-bonded Turn	trans	-63.8	-22.5	-176.8	-65.2	179.4	-172.5	0	0	113.4	P71 P74 E79	P71-E77 HydrophobicContact CB-CG 3.8Å; P71-E77 HydrophobicContact CG-CG 4.06Å; P74-E77 WeakPolarHBondContact O-CB 3.3Å; P74-E77 PolarHBondContact O-N 3.36Å; E77-E79 PolarHBondContact O-N 3.25Å
78	Q	95.9	Very high	97.6	Very high	119 Å²	119	62.3 Å²	62.3	56%	0.556	32%	0.315	S	S	*	.	T	Hydrogen-bonded Turn	trans	-71.4	-13.2	175.7	70	-173	-31.8	0	0	114	W75 I76 N198	W75-Q78 WeakPolarHBondContact O-CG 3.26Å; W75-Q78 PolarHBondContact O-NE2 2.69Å; I76-Q78 PolarHBondContact O-N 2.92Å; I76-Q78 VanDerWaalsContact O-N 3.14Å; Q78-N198 PolarHBondContact NE2-ND2 3.06Å; Q78-N198 PolarHBondContact NE2-OD1 2.88Å
79	E	97.6	Very high	97.6	Very high	11 Å²	11	63 Å²	63	5%	0.051	32%	0.318	C	S	.	.	S	Bend	trans	-65.3	137	176.5	-67.3	-61.2	160.2	0	0	110.9	I76 E77 Y83 W84 R194 N198	I76-E79 HydrophobicContact CD1-CG 3.68Å; I76-E79 HydrophobicContact CG1-CG 4.21Å; I76-E79 WeakPolarHBondContact O-CB 3.13Å; I76-E79 WeakPolarHBondContact O-CG 3.3Å; I76-E79 PolarHBondContact O-N 3.04Å; E77-E79 PolarHBondContact O-N 3.25Å; E79-Y83 HydrophobicContact CB-CD1 3.51Å; E79-Y83 HydrophobicContact CB-CE1 4.16Å; E79-Y83 HydrophobicContact CB-CG 3.8Å; E79-Y83 HydrophobicContact CG-CD1 4Å; E79-Y83 HydrophobicContact CG-CE1 4.25Å; E79-Y83 HydrophobicContact CG-CG 4.18Å; E79-W84 PolarHBondContact O-NE1 3.02Å; E79-R194 IonicContact OE1-CZ 3.45Å; E79-R194 IonicContact OE1-NE 2.75Å; E79-R194 PolarHBondContact OE1-NE 3.07Å; E79-R194 IonicContact OE1-NH2 3.31Å; E79-R194 PolarHBondContact OE1-NH2 2.8Å; E79-R194 IonicContact OE2-CZ 3.7Å; E79-R194 IonicContact OE2-NE 3.83Å; E79-R194 IonicContact OE2-NH2 2.74Å; E79-R194 PolarHBondContact OE2-NH2 2.91Å; E79-N198 PolarHBondContact OE1-ND2 2.86Å
80	G	97.1	Very high	97.6	Very high	36 Å²	36	66.2 Å²	66.2	37%	0.371	34%	0.335	S	S	.	.			trans	-69.7	168.4	-175.4	0	0	0	0	0	113.9	E82 Y83 W84	G80-E82 PolarHBondContact O-N 2.7Å; G80-Y83 WeakPolarHBondContact O-CB 3.32Å; G80-Y83 PolarHBondContact O-N 2.88Å; G80-W84 VanDerWaalsContact O-CD1 3.28Å; G80-W84 PolarHBondContact O-N 2.72Å
81	P	97.6	Very high	97.6	Very high	99 Å²	99	64.1 Å²	64.1	64%	0.643	33%	0.326	S	S	*	.	H	α-helix	trans	-57.5	-33.7	-178.7	22.8	-33.6	0	0	0	113.4	Y83 W84 D85	P81-Y83 VanDerWaalsContact C-N 3.28Å; P81-Y83 PolarHBondContact O-N 3.25Å; P81-W84 PolarHBondContact O-N 2.95Å; P81-D85 WeakPolarHBondContact O-CB 3.08Å; P81-D85 PolarHBondContact O-N 2.91Å
82	E	97.9	Very high	97.6	Very high	169 Å²	169	66 Å²	66	79%	0.79	33%	0.33	S	S	*	.	H	α-helix	trans	-59.6	-37.8	177.5	-63.4	-177.9	177.7	0	0	112.7	G80 L86	G80-E82 PolarHBondContact O-N 2.7Å; E82-L86 VanDerWaalsContact O-CB 3.23Å; E82-L86 WeakPolarHBondContact O-CB 3.38Å; E82-L86 PolarHBondContact O-N 2.98Å
83	Y	97.9	Very high	97.6	Very high	12 Å²	12	63.5 Å²	63.5	5%	0.047	33%	0.332	C	S	.	.	H	α-helix	trans	-63.7	-50.9	175.3	170.2	-96.6	0	0	0	110.4	I76 E79 G80 P81 D85 L86 Q87 W191 Y195	I76-Y83 HydrophobicContact CD1-CE1 4.15Å; I76-Y83 HydrophobicContact CG1-CE1 4.15Å; E79-Y83 HydrophobicContact CB-CD1 3.51Å; E79-Y83 HydrophobicContact CB-CE1 4.16Å; E79-Y83 HydrophobicContact CB-CG 3.8Å; E79-Y83 HydrophobicContact CG-CD1 4Å; E79-Y83 HydrophobicContact CG-CE1 4.25Å; E79-Y83 HydrophobicContact CG-CG 4.18Å; G80-Y83 WeakPolarHBondContact O-CB 3.32Å; G80-Y83 PolarHBondContact O-N 2.88Å; P81-Y83 VanDerWaalsContact C-N 3.28Å; P81-Y83 PolarHBondContact O-N 3.25Å; Y83-D85 VanDerWaalsContact C-N 3.35Å; Y83-D85 PolarHBondContact O-N 2.82Å; Y83-L86 PolarHBondContact O-N 3.25Å; Y83-Q87 HydrophobicContact CD1-CG 4.26Å; Y83-Q87 HydrophobicContact CD2-CG 4.03Å; Y83-Q87 HydrophobicContact CE1-CG 3.88Å; Y83-Q87 HydrophobicContact CE2-CG 3.61Å; Y83-Q87 HydrophobicContact CG-CG 4.34Å; Y83-Q87 WeakPolarHBondContact O-CB 3.16Å; Y83-Q87 VanDerWaalsContact O-CG 3.29Å; Y83-Q87 WeakPolarHBondContact O-CG 3.32Å; Y83-Q87 PolarHBondContact O-N 2.89Å; Y83-W191 AromaticContact CD2-CH2 3.46Å; Y83-W191 HydrophobicContact CD2-CH2 3.46Å; Y83-W191 VanDerWaalsContact CD2-CH2 3.46Å; Y83-W191 HydrophobicContact CD2-CZ2 4.05Å; Y83-W191 AromaticContact CD2-CZ3 3.87Å; Y83-W191 HydrophobicContact CD2-CZ3 3.87Å; Y83-W191 HydrophobicContact CE2-CE3 4.39Å; Y83-W191 AromaticContact CE2-CH2 3.87Å; Y83-W191 HydrophobicContact CE2-CH2 3.87Å; Y83-W191 HydrophobicContact CE2-CZ2 4.35Å; Y83-W191 AromaticContact CE2-CZ3 3.89Å; Y83-W191 HydrophobicContact CE2-CZ3 3.89Å; Y83-Y195 WeakPolarHBondContact CE2-OH 3.32Å; Y83-Y195 PolarHBondContact OH-OH 3Å
84	W	98.4	Very high	97.6	Very high	42 Å²	42	65.6 Å²	65.6	16%	0.159	34%	0.341	C	S	.	.	H	α-helix	trans	-63.8	-39.1	-178	-64.3	111.2	0	0	0	112.8	V58 M69 P71 I76 E79 G80 P81 T88	V58-W84 HydrophobicContact CG1-CH2 4.11Å; V58-W84 HydrophobicContact CG1-CZ3 3.9Å; M69-W84 HydrophobicContact CB-CE3 4.26Å; M69-W84 HydrophobicContact CG-CE3 4.2Å; M69-W84 HydrophobicContact CG-CZ3 4.04Å; P71-W84 HydrophobicContact CB-CH2 3.63Å; P71-W84 HydrophobicContact CB-CZ2 4.03Å; P71-W84 HydrophobicContact CB-CZ3 4.49Å; P71-W84 HydrophobicContact CG-CH2 4.24Å; P71-W84 HydrophobicContact CG-CZ2 4.44Å; I76-W84 HydrophobicContact CB-CH2 4.49Å; I76-W84 HydrophobicContact CG1-CH2 3.81Å; I76-W84 HydrophobicContact CG1-CZ2 4.08Å; I76-W84 HydrophobicContact CG2-CH2 4Å; I76-W84 HydrophobicContact CG2-CZ2 4.4Å; I76-W84 WeakPolarHBondContact O-CZ2 3.29Å; E79-W84 PolarHBondContact O-NE1 3.02Å; G80-W84 VanDerWaalsContact O-CD1 3.28Å; G80-W84 PolarHBondContact O-N 2.72Å; P81-W84 PolarHBondContact O-N 2.95Å; W84-T88 WeakPolarHBondContact O-CB 3.48Å; W84-T88 PolarHBondContact O-N 3.39Å; W84-T88 PolarHBondContact O-OG1 2.83Å
85	D	98.3	Very high	97.7	Very high	87 Å²	87	61.4 Å²	61.4	47%	0.465	31%	0.314	S	S	.	.	H	α-helix	trans	-67	-42.6	175.8	-77	-21.4	0	0	0	111.6	P81 Y83 R89	P81-D85 WeakPolarHBondContact O-CB 3.08Å; P81-D85 PolarHBondContact O-N 2.91Å; Y83-D85 VanDerWaalsContact C-N 3.35Å; Y83-D85 PolarHBondContact O-N 2.82Å; D85-R89 WeakPolarHBondContact O-CB 3.45Å; D85-R89 PolarHBondContact O-N 2.91Å
86	L	97.6	Very high	97.8	Very high	74 Å²	74	66 Å²	66	39%	0.387	34%	0.337	S	S	.	.	H	α-helix	trans	-64	-48.9	176.2	-179.5	62.3	0	0	0	111.5	E82 Y83 T88 R89 N90	E82-L86 VanDerWaalsContact O-CB 3.23Å; E82-L86 WeakPolarHBondContact O-CB 3.38Å; E82-L86 PolarHBondContact O-N 2.98Å; Y83-L86 PolarHBondContact O-N 3.25Å; L86-T88 VanDerWaalsContact C-N 3.33Å; L86-T88 PolarHBondContact O-N 2.88Å; L86-R89 PolarHBondContact O-N 2.96Å; L86-N90 WeakPolarHBondContact O-CB 3.27Å; L86-N90 PolarHBondContact O-N 2.95Å; L86-N90 PolarHBondContact O-OD1 2.89Å
87	Q	97.9	Very high	97.8	Very high	24 Å²	24	69.2 Å²	69.2	11%	0.112	36%	0.356	C	S	.	.	H	α-helix	trans	-62.1	-41.7	178.4	-67.5	-54.3	-41	0	0	111.6	M69 Y83 R89 N90 V91	M69-Q87 HydrophobicContact CB-CB 4.02Å; M69-Q87 HydrophobicContact CE-CB 4.43Å; M69-Q87 HydrophobicContact CG-CB 3.98Å; Y83-Q87 HydrophobicContact CD1-CG 4.26Å; Y83-Q87 HydrophobicContact CD2-CG 4.03Å; Y83-Q87 HydrophobicContact CE1-CG 3.88Å; Y83-Q87 HydrophobicContact CE2-CG 3.61Å; Y83-Q87 HydrophobicContact CG-CG 4.34Å; Y83-Q87 WeakPolarHBondContact O-CB 3.16Å; Y83-Q87 VanDerWaalsContact O-CG 3.29Å; Y83-Q87 WeakPolarHBondContact O-CG 3.32Å; Y83-Q87 PolarHBondContact O-N 2.89Å; Q87-R89 PolarHBondContact O-N 2.7Å; Q87-N90 PolarHBondContact O-N 2.85Å; Q87-V91 WeakPolarHBondContact O-CB 3.48Å; Q87-V91 PolarHBondContact O-N 3.31Å
88	T	98.5	Very high	97.8	Very high	12 Å²	12	63.4 Å²	63.4	7%	0.074	33%	0.329	C	S	.	.	H	α-helix	trans	-62.4	-43.1	175.6	-62.3	0	0	0	0	111.4	R68 M69 W84 L86 K92	R68-T88 HydrophobicContact CB-CG2 4.49Å; R68-T88 HydrophobicContact CG-CG2 4.09Å; M69-T88 PolarHBondContact N-OG1 3.09Å; W84-T88 WeakPolarHBondContact O-CB 3.48Å; W84-T88 PolarHBondContact O-N 3.39Å; W84-T88 PolarHBondContact O-OG1 2.83Å; L86-T88 VanDerWaalsContact C-N 3.33Å; L86-T88 PolarHBondContact O-N 2.88Å; T88-K92 HydrophobicContact CG2-CD 4.17Å; T88-K92 WeakPolarHBondContact O-CB 2.91Å; T88-K92 VanDerWaalsContact O-CG 3.31Å; T88-K92 WeakPolarHBondContact O-CG 3.49Å; T88-K92 PolarHBondContact O-N 2.83Å
89	R	98.4	Very high	97.9	Very high	165 Å²	165	62.8 Å²	62.8	62%	0.623	32%	0.322	S	S	*	.	H	α-helix	trans	-63	-47.5	177.5	-173	-173.4	-59.2	145.1	4.3	111.3	D85 L86 Q87 V91 K92 A93	D85-R89 WeakPolarHBondContact O-CB 3.45Å; D85-R89 PolarHBondContact O-N 2.91Å; L86-R89 PolarHBondContact O-N 2.96Å; Q87-R89 PolarHBondContact O-N 2.7Å; R89-V91 PolarHBondContact O-N 3.49Å; R89-K92 PolarHBondContact O-N 3.39Å; R89-A93 WeakPolarHBondContact O-CB 3.36Å; R89-A93 PolarHBondContact O-N 3.3Å
90	N	97.2	Very high	97.9	Very high	81 Å²	81	65.1 Å²	65.1	43%	0.433	34%	0.343	S	S	.	.	H	α-helix	trans	-60.7	-45.7	-179.3	-69.6	-9.4	0	0	0	111.2	L86 Q87 K92 A93 Q94	L86-N90 WeakPolarHBondContact O-CB 3.27Å; L86-N90 PolarHBondContact O-N 2.95Å; L86-N90 PolarHBondContact O-OD1 2.89Å; Q87-N90 PolarHBondContact O-N 2.85Å; N90-K92 PolarHBondContact O-N 2.96Å; N90-A93 WeakPolarHBondContact O-CB 3.26Å; N90-A93 PolarHBondContact O-N 2.68Å; N90-Q94 PolarHBondContact O-N 2.93Å
91	V	97.8	Very high	97.9	Very high	13 Å²	13	66.4 Å²	66.4	8%	0.079	34%	0.341	C	S	.	.	H	α-helix	trans	-71	-32.8	-178	94.6	0	0	0	0	112.4	F46 A48 F60 M69 Q87 R89 Q94 S95	F46-V91 HydrophobicContact CE1-CG2 3.6Å; F46-V91 HydrophobicContact CZ-CG2 4Å; A48-V91 HydrophobicContact CB-CG2 3.52Å; F60-V91 HydrophobicContact CB-CG1 3.87Å; F60-V91 HydrophobicContact CB-CG2 4.24Å; F60-V91 HydrophobicContact CD1-CG1 3.82Å; F60-V91 HydrophobicContact CD1-CG2 4.46Å; F60-V91 HydrophobicContact CD2-CG1 3.23Å; F60-V91 HydrophobicContact CE1-CG1 4.13Å; F60-V91 HydrophobicContact CE2-CG1 3.57Å; F60-V91 HydrophobicContact CG-CB 4.47Å; F60-V91 HydrophobicContact CG-CG1 3.36Å; F60-V91 HydrophobicContact CG-CG2 4.34Å; F60-V91 HydrophobicContact CZ-CG1 4.02Å; M69-V91 HydrophobicContact CE-CB 3.89Å; M69-V91 HydrophobicContact CE-CG1 4.13Å; M69-V91 HydrophobicContact CE-CG2 3.87Å; Q87-V91 WeakPolarHBondContact O-CB 3.48Å; Q87-V91 PolarHBondContact O-N 3.31Å; R89-V91 PolarHBondContact O-N 3.49Å; V91-Q94 PolarHBondContact O-N 3.4Å; V91-S95 WeakPolarHBondContact O-CB 3.17Å; V91-S95 PolarHBondContact O-N 2.91Å
92	K	98.3	Very high	98	Very high	84 Å²	84	62.1 Å²	62.1	37%	0.365	31%	0.313	S	S	.	.	H	α-helix	trans	-66.9	-40.1	171.4	-77	-175.5	179.7	-174.4	0	112	F60 Q67 T88 R89 N90 S95 Q96	F60-K92 HydrophobicContact CE2-CG 4.2Å; F60-K92 HydrophobicContact CZ-CG 4.07Å; Q67-K92 WeakPolarHBondContact O-CE 3.23Å; Q67-K92 PolarHBondContact O-NZ 3.27Å; T88-K92 HydrophobicContact CG2-CD 4.17Å; T88-K92 WeakPolarHBondContact O-CB 2.91Å; T88-K92 VanDerWaalsContact O-CG 3.31Å; T88-K92 WeakPolarHBondContact O-CG 3.49Å; T88-K92 PolarHBondContact O-N 2.83Å; R89-K92 PolarHBondContact O-N 3.39Å; N90-K92 PolarHBondContact O-N 2.96Å; K92-S95 WeakPolarHBondContact O-CB 3.27Å; K92-S95 PolarHBondContact O-N 2.97Å; K92-Q96 PolarHBondContact O-N 2.82Å; K92-Q96 VanDerWaalsContact O-N 3.13Å
93	A	98.2	Very high	97.9	Very high	56 Å²	56	55.8 Å²	55.8	46%	0.463	29%	0.293	S	S	.	.	H	α-helix	trans	-61.7	-46.6	174.3	0	0	0	0	0	110.8	R89 N90 S95 Q96 T97	R89-A93 WeakPolarHBondContact O-CB 3.36Å; R89-A93 PolarHBondContact O-N 3.3Å; N90-A93 WeakPolarHBondContact O-CB 3.26Å; N90-A93 PolarHBondContact O-N 2.68Å; A93-S95 VanDerWaalsContact C-N 3.31Å; A93-S95 PolarHBondContact O-N 2.91Å; A93-Q96 PolarHBondContact O-N 3.18Å; A93-Q96 VanDerWaalsContact O-N 3.15Å; A93-T97 PolarHBondContact O-N 2.65Å; A93-T97 PolarHBondContact O-OG1 2.57Å
94	Q	97.9	Very high	97.9	Very high	48 Å²	48	57.9 Å²	57.9	22%	0.224	31%	0.307	C	S	.	.	H	α-helix	trans	-58.9	-41.9	175.1	-172.5	63.1	56.2	0	0	111.9	F46 N90 V91 Q96 T97 D98 M121	F46-Q94 HydrophobicContact CE2-CB 4.38Å; F46-Q94 HydrophobicContact CE2-CG 3.96Å; F46-Q94 HydrophobicContact CZ-CB 4.23Å; F46-Q94 HydrophobicContact CZ-CG 4.04Å; N90-Q94 PolarHBondContact O-N 2.93Å; V91-Q94 PolarHBondContact O-N 3.4Å; Q94-Q96 VanDerWaalsContact C-N 3.31Å; Q94-Q96 PolarHBondContact O-N 2.86Å; Q94-T97 WeakPolarHBondContact O-CB 3.47Å; Q94-T97 PolarHBondContact O-N 3.12Å; Q94-T97 VanDerWaalsContact O-N 3.16Å; Q94-D98 PolarHBondContact NE2-OD1 3.2Å; Q94-D98 PolarHBondContact O-N 2.95Å; Q94-M121 HydrophobicContact CG-CE 4.12Å
95	S	97.9	Very high	97.9	Very high	17 Å²	17	56.5 Å²	56.5	12%	0.119	30%	0.303	C	S	.	.	H	α-helix	trans	-59.1	-39.4	176.2	175.5	0	0	0	0	113.1	F46 V91 K92 A93 R99	F46-S95 WeakPolarHBondContact CB-OG 3.23Å; F46-S95 VanDerWaalsContact CD2-CA 3.42Å; F46-S95 VanDerWaalsContact CG-CB 3.5Å; V91-S95 WeakPolarHBondContact O-CB 3.17Å; V91-S95 PolarHBondContact O-N 2.91Å; K92-S95 WeakPolarHBondContact O-CB 3.27Å; K92-S95 PolarHBondContact O-N 2.97Å; A93-S95 VanDerWaalsContact C-N 3.31Å; A93-S95 PolarHBondContact O-N 2.91Å; S95-R99 WeakPolarHBondContact O-CB 3.46Å; S95-R99 PolarHBondContact O-N 3.49Å
96	Q	97.9	Very high	97.8	Very high	112 Å²	112	55.7 Å²	55.7	52%	0.523	29%	0.293	S	S	.	.	H	α-helix	trans	-70.3	-38.6	174.8	-63.2	-54.4	-45.2	0	0	112.2	K92 A93 Q94 R99 A100	K92-Q96 PolarHBondContact O-N 2.82Å; K92-Q96 VanDerWaalsContact O-N 3.13Å; A93-Q96 PolarHBondContact O-N 3.18Å; A93-Q96 VanDerWaalsContact O-N 3.15Å; Q94-Q96 VanDerWaalsContact C-N 3.31Å; Q94-Q96 PolarHBondContact O-N 2.86Å; Q96-R99 WeakPolarHBondContact O-CB 3.16Å; Q96-R99 PolarHBondContact O-N 2.9Å; Q96-A100 PolarHBondContact O-N 3.32Å; Q96-A100 VanDerWaalsContact O-N 3.11Å
97	T	98	Very high	97.8	Very high	67 Å²	67	54.2 Å²	54.2	41%	0.411	30%	0.296	S	S	.	.	H	α-helix	trans	-60.5	-47.1	173.6	-63.8	0	0	0	0	111.2	A93 Q94 R99 A100 N101	A93-T97 PolarHBondContact O-N 2.65Å; A93-T97 PolarHBondContact O-OG1 2.57Å; Q94-T97 WeakPolarHBondContact O-CB 3.47Å; Q94-T97 PolarHBondContact O-N 3.12Å; Q94-T97 VanDerWaalsContact O-N 3.16Å; T97-R99 VanDerWaalsContact C-N 3.33Å; T97-R99 PolarHBondContact O-N 2.88Å; T97-A100 PolarHBondContact O-N 3.07Å; T97-N101 WeakPolarHBondContact O-CB 3.5Å; T97-N101 PolarHBondContact O-N 3.14Å; T97-N101 PolarHBondContact O-ND2 3.29Å
98	D	97.7	Very high	97.8	Very high	3 Å²	3	55.9 Å²	55.9	2%	0.016	30%	0.302	C	S	.	.	H	α-helix	trans	-64	-38.5	178.9	-79.1	16.9	0	0	0	112.1	S35 F46 Q94 A100 N101 L102	S35-D98 WeakPolarHBondContact OG-CB 3.47Å; S35-D98 PolarHBondContact OG-OD2 2.83Å; F46-D98 HydrophobicContact CD2-CB 4.38Å; F46-D98 WeakPolarHBondContact CE2-OD2 3.35Å; Q94-D98 PolarHBondContact NE2-OD1 3.2Å; Q94-D98 PolarHBondContact O-N 2.95Å; D98-A100 VanDerWaalsContact C-N 3.35Å; D98-A100 PolarHBondContact O-N 3Å; D98-N101 PolarHBondContact O-N 3.29Å; D98-L102 WeakPolarHBondContact O-CG 3.39Å; D98-L102 PolarHBondContact O-N 2.84Å
99	R	97.5	Very high	97.8	Very high	107 Å²	107	58.5 Å²	58.5	40%	0.404	31%	0.311	S	S	.	.	H	α-helix	trans	-57.2	-47.8	172.7	174.5	-170.8	168.6	162.7	15.5	111.5	E43 P44 S95 Q96 T97 N101 L102	E43-R99 IonicContact OE1-CZ 3.87Å; E43-R99 IonicContact OE1-NE 3.23Å; E43-R99 IonicContact OE1-NH1 3.48Å; E43-R99 PolarHBondContact OE1-NH1 2.63Å; E43-R99 VanDerWaalsContact OE1-NH1 3.09Å; E43-R99 IonicContact OE1-NH2 3.51Å; E43-R99 PolarHBondContact OE1-NH2 3.47Å; E43-R99 WeakPolarHBondContact OE2-CD 3.48Å; E43-R99 IonicContact OE2-CZ 3.67Å; E43-R99 IonicContact OE2-NE 3.59Å; E43-R99 PolarHBondContact OE2-NE 2.89Å; E43-R99 IonicContact OE2-NH1 3.43Å; E43-R99 PolarHBondContact OE2-NH1 3.47Å; E43-R99 VanDerWaalsContact OE2-NH1 3.15Å; E43-R99 IonicContact OE2-NH2 3.93Å; E43-R99 PolarHBondContact OE2-NH2 3.37Å; P44-R99 HydrophobicContact CG-CB 4.43Å; P44-R99 HydrophobicContact CG-CG 4.22Å; S95-R99 WeakPolarHBondContact O-CB 3.46Å; S95-R99 PolarHBondContact O-N 3.49Å; Q96-R99 WeakPolarHBondContact O-CB 3.16Å; Q96-R99 PolarHBondContact O-N 2.9Å; T97-R99 VanDerWaalsContact C-N 3.33Å; T97-R99 PolarHBondContact O-N 2.88Å; R99-N101 VanDerWaalsContact C-N 3.34Å; R99-L102 PolarHBondContact O-N 3.21Å
100	A	97.7	Very high	97.7	Very high	60 Å²	60	58 Å²	58	50%	0.496	32%	0.32	S	S	.	.	H	α-helix	trans	-66.4	-38.1	177.6	0	0	0	0	0	111.8	Q96 T97 D98 G103 T104	Q96-A100 PolarHBondContact O-N 3.32Å; Q96-A100 VanDerWaalsContact O-N 3.11Å; T97-A100 PolarHBondContact O-N 3.07Å; D98-A100 VanDerWaalsContact C-N 3.35Å; D98-A100 PolarHBondContact O-N 3Å; A100-G103 PolarHBondContact O-N 3.17Å; A100-T104 PolarHBondContact O-N 3.49Å; A100-T104 PolarHBondContact O-OG1 3Å
101	N	98	Very high	97.7	Very high	62 Å²	62	57 Å²	57	33%	0.332	31%	0.313	S	S	.	.	H	α-helix	trans	-66.4	-37.4	177.9	-71.3	-18	0	0	0	112.1	T97 D98 R99 G103 T104 L105 I119	T97-N101 WeakPolarHBondContact O-CB 3.5Å; T97-N101 PolarHBondContact O-N 3.14Å; T97-N101 PolarHBondContact O-ND2 3.29Å; D98-N101 PolarHBondContact O-N 3.29Å; R99-N101 VanDerWaalsContact C-N 3.34Å; N101-G103 VanDerWaalsContact C-N 3.3Å; N101-G103 PolarHBondContact O-N 3.23Å; N101-T104 WeakPolarHBondContact O-CB 3.37Å; N101-T104 PolarHBondContact O-N 3.1Å; N101-T104 VanDerWaalsContact O-N 3.09Å; N101-L105 WeakPolarHBondContact O-CB 3.32Å; N101-L105 WeakPolarHBondContact O-CG 3.48Å; N101-L105 PolarHBondContact O-N 3.4Å; N101-I119 HydrophobicContact CB-CD1 3.63Å
102	L	98.1	Very high	97.6	Very high	10 Å²	10	60.2 Å²	60.2	5%	0.052	34%	0.336	C	S	.	.	H	α-helix	trans	-57.4	-43.6	174.8	-80.6	163.3	0	0	0	111.3	P44 D98 R99 R106 H117 I119 Y142	P44-L102 HydrophobicContact CB-CD1 3.6Å; P44-L102 HydrophobicContact CG-CD1 3.66Å; D98-L102 WeakPolarHBondContact O-CG 3.39Å; D98-L102 PolarHBondContact O-N 2.84Å; R99-L102 PolarHBondContact O-N 3.21Å; L102-R106 VanDerWaalsContact O-CB 3.26Å; L102-R106 WeakPolarHBondContact O-CB 3.22Å; L102-R106 PolarHBondContact O-N 2.84Å; L102-R106 VanDerWaalsContact O-N 3.1Å; L102-H117 HydrophobicContact CD2-CB 4.07Å; L102-I119 HydrophobicContact CB-CD1 4.4Å; L102-I119 HydrophobicContact CD2-CD1 3.97Å; L102-I119 HydrophobicContact CD2-CG1 3.76Å; L102-I119 HydrophobicContact CG-CD1 3.72Å; L102-I119 HydrophobicContact CG-CG1 4.07Å; L102-Y142 HydrophobicContact CD2-CE2 4.36Å
103	G	96.3	Very high	97.3	Very high	36 Å²	36	62.6 Å²	62.6	37%	0.371	35%	0.348	S	S	.	.	H	α-helix	trans	-66.1	-39.1	174.7	0	0	0	0	0	113	A100 N101 G107	A100-G103 PolarHBondContact O-N 3.17Å; N101-G103 VanDerWaalsContact C-N 3.3Å; N101-G103 PolarHBondContact O-N 3.23Å; G103-G107 PolarHBondContact O-N 2.74Å
104	T	97.8	Very high	97.1	Very high	56 Å²	56	63.8 Å²	63.8	34%	0.344	36%	0.358	S	S	.	.	H	α-helix	trans	-66.2	-49.4	179	-59.6	0	0	0	0	111.9	A100 N101 G107 Y108	A100-T104 PolarHBondContact O-N 3.49Å; A100-T104 PolarHBondContact O-OG1 3Å; N101-T104 WeakPolarHBondContact O-CB 3.37Å; N101-T104 PolarHBondContact O-N 3.1Å; N101-T104 VanDerWaalsContact O-N 3.09Å; T104-G107 WeakPolarHBondContact O-CA 3.38Å; T104-G107 PolarHBondContact O-N 3.43Å; T104-G107 VanDerWaalsContact O-N 3.13Å; T104-Y108 HydrophobicContact CG2-CD1 4.44Å; T104-Y108 HydrophobicContact CG2-CD2 4.39Å; T104-Y108 HydrophobicContact CG2-CE1 3.85Å; T104-Y108 HydrophobicContact CG2-CE2 3.79Å; T104-Y108 VanDerWaalsContact CG2-CZ 3.48Å; T104-Y108 PolarHBondContact O-N 2.93Å
105	L	98.1	Very high	96.9	Very high	12 Å²	12	62.7 Å²	62.7	6%	0.063	36%	0.36	C	S	.	.	H	α-helix	trans	-64.1	-43.4	-179.8	-68.4	175	0	0	0	111.2	N101 G107 Y108 Y109 I119 Y142 Y147	N101-L105 WeakPolarHBondContact O-CB 3.32Å; N101-L105 WeakPolarHBondContact O-CG 3.48Å; N101-L105 PolarHBondContact O-N 3.4Å; L105-G107 PolarHBondContact O-N 2.88Å; L105-Y108 HydrophobicContact CD2-CD2 4.32Å; L105-Y108 PolarHBondContact O-N 3.41Å; L105-Y109 HydrophobicContact CD2-CE2 4.45Å; L105-Y109 VanDerWaalsContact O-CD2 3.24Å; L105-Y109 WeakPolarHBondContact O-CD2 3.39Å; L105-Y109 PolarHBondContact O-N 3.31Å; L105-I119 HydrophobicContact CD1-CD1 3.56Å; L105-I119 HydrophobicContact CD1-CG1 3.7Å; L105-Y142 HydrophobicContact CB-CD1 4.49Å; L105-Y142 HydrophobicContact CB-CD2 4.14Å; L105-Y142 HydrophobicContact CB-CE1 4.16Å; L105-Y142 HydrophobicContact CB-CE2 3.76Å; L105-Y142 HydrophobicContact CB-CG 4.47Å; 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 3.89Å; L105-Y142 HydrophobicContact CG-CD2 4.4Å; L105-Y142 HydrophobicContact CG-CE2 4.45Å; L105-Y147 HydrophobicContact CD2-CD2 4.29Å; L105-Y147 HydrophobicContact CD2-CE1 3.89Å; L105-Y147 HydrophobicContact CD2-CE2 3.51Å; L105-Y147 VanDerWaalsContact CD2-OH 3.26Å; L105-Y147 WeakPolarHBondContact CD2-OH 3.31Å
106	R	97.3	Very high	96.9	Very high	71 Å²	71	65.3 Å²	65.3	27%	0.268	38%	0.378	S	S	.	.	H	α-helix	trans	-52.5	-42.1	172.4	-173.7	-172.1	67.4	-179.7	10.6	111.8	L102 N110 Q111 E113	L102-R106 VanDerWaalsContact O-CB 3.26Å; L102-R106 WeakPolarHBondContact O-CB 3.22Å; L102-R106 PolarHBondContact O-N 2.84Å; L102-R106 VanDerWaalsContact O-N 3.1Å; R106-N110 PolarHBondContact O-N 2.97Å; R106-N110 VanDerWaalsContact O-N 3.14Å; R106-Q111 HydrophobicContact CG-CB 3.78Å; R106-Q111 WeakPolarHBondContact CG-O 3.3Å; R106-Q111 PolarHBondContact O-N 2.95Å; R106-E113 IonicContact CZ-OE1 3.67Å; R106-E113 IonicContact NH1-OE1 3.7Å; R106-E113 IonicContact NH2-OE1 3.21Å; R106-E113 PolarHBondContact NH2-OE1 3.17Å
107	G	97.3	Very high	96.9	Very high	43 Å²	43	60.9 Å²	60.9	44%	0.443	36%	0.357	S	S	.	.	H	α-helix	trans	-65	-45	174.5	0	0	0	0	0	113.3	G103 T104 L105 Y109 N110	G103-G107 PolarHBondContact O-N 2.74Å; T104-G107 WeakPolarHBondContact O-CA 3.38Å; T104-G107 PolarHBondContact O-N 3.43Å; T104-G107 VanDerWaalsContact O-N 3.13Å; L105-G107 PolarHBondContact O-N 2.88Å; G107-Y109 VanDerWaalsContact C-N 3.27Å; G107-Y109 PolarHBondContact O-N 2.69Å; G107-N110 PolarHBondContact O-N 3.43Å; G107-N110 VanDerWaalsContact O-N 3.16Å; G107-N110 PolarHBondContact O-OD1 3.1Å
108	Y	98	Very high	97	Very high	59 Å²	59	59.3 Å²	59.3	23%	0.231	35%	0.348	C	S	.	.	H	α-helix	trans	-61	-36.7	178.8	-68	-6.9	0	0	0	112.9	T104 L105 A163 I166 K170	T104-Y108 HydrophobicContact CG2-CD1 4.44Å; T104-Y108 HydrophobicContact CG2-CD2 4.39Å; T104-Y108 HydrophobicContact CG2-CE1 3.85Å; T104-Y108 HydrophobicContact CG2-CE2 3.79Å; T104-Y108 VanDerWaalsContact CG2-CZ 3.48Å; T104-Y108 PolarHBondContact O-N 2.93Å; L105-Y108 HydrophobicContact CD2-CD2 4.32Å; L105-Y108 PolarHBondContact O-N 3.41Å; Y108-A163 HydrophobicContact CD2-CB 4.49Å; Y108-I166 HydrophobicContact CD1-CD1 4.32Å; Y108-I166 HydrophobicContact CD2-CD1 4.39Å; Y108-I166 HydrophobicContact CE1-CD1 4.44Å; Y108-I166 HydrophobicContact CE1-CG2 4.32Å; Y108-I166 HydrophobicContact CE2-CB 4.06Å; Y108-I166 HydrophobicContact CE2-CG2 3.93Å; Y108-I166 HydrophobicContact CG-CD1 4.3Å; Y108-I166 WeakPolarHBondContact OH-CG2 3.42Å; Y108-K170 PolarHBondContact OH-NZ 3.17Å
109	Y	97.9	Very high	97	Very high	67 Å²	67	59.6 Å²	59.6	26%	0.263	35%	0.349	S	S	.	.	T	Hydrogen-bonded Turn	trans	-92.2	5.2	179.3	-68.1	-71.7	0	0	0	114	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 3.39Å; L105-Y109 PolarHBondContact O-N 3.31Å; G107-Y109 VanDerWaalsContact C-N 3.27Å; G107-Y109 PolarHBondContact O-N 2.69Å; Y109-Q111 PolarHBondContact O-N 3.13Å; Y109-Y142 AromaticContact CD2-CD1 3.75Å; Y109-Y142 HydrophobicContact CD2-CD1 3.75Å; Y109-Y142 AromaticContact CD2-CE1 3.52Å; Y109-Y142 HydrophobicContact CD2-CE1 3.52Å; Y109-Y142 AromaticContact CE2-CD1 3.54Å; Y109-Y142 HydrophobicContact CE2-CD1 3.54Å; Y109-Y142 AromaticContact CE2-CE1 3.83Å; Y109-Y142 HydrophobicContact CE2-CE1 3.83Å; Y109-Y142 HydrophobicContact CE2-CG 4.48Å; Y109-Y142 HydrophobicContact CG-CE1 4.4Å; Y109-Y147 HydrophobicContact CE2-CD2 4.41Å; Y109-Y147 HydrophobicContact CE2-CE2 4.11Å; Y109-Y147 WeakPolarHBondContact OH-CD2 3.35Å; Y109-Y147 WeakPolarHBondContact OH-CE2 3.18Å; Y109-D161 VanDerWaalsContact CE1-OD2 3.22Å; Y109-D161 WeakPolarHBondContact CE1-OD2 3.47Å; Y109-D161 VanDerWaalsContact OH-CG 3.25Å; Y109-D161 PolarHBondContact OH-OD1 3.39Å; Y109-D161 PolarHBondContact OH-OD2 2.96Å; Y109-A163 HydrophobicContact CD1-CB 4.26Å; Y109-A163 HydrophobicContact CE1-CB 3.66Å; Y109-A163 HydrophobicContact CE2-CB 3.94Å; Y109-A163 VanDerWaalsContact CZ-CB 3.48Å
110	N	97	Very high	97.1	Very high	153 Å²	153	58.3 Å²	58.3	82%	0.818	35%	0.348	S	S	*	.	T	Hydrogen-bonded Turn	trans	51	40.8	-177.2	-59.1	-55.7	0	0	0	113.3	R106 G107	R106-N110 PolarHBondContact O-N 2.97Å; R106-N110 VanDerWaalsContact O-N 3.14Å; G107-N110 PolarHBondContact O-N 3.43Å; G107-N110 VanDerWaalsContact O-N 3.16Å; G107-N110 PolarHBondContact O-OD1 3.1Å
111	Q	97.4	Very high	97.1	Very high	61 Å²	61	55.8 Å²	55.8	29%	0.285	33%	0.326	S	S	.	.			trans	-88	152.2	-176	-70.6	169.2	-33.8	0	0	111.9	R106 Y109 H117 Y142 D143	R106-Q111 HydrophobicContact CG-CB 3.78Å; R106-Q111 WeakPolarHBondContact CG-O 3.3Å; R106-Q111 PolarHBondContact O-N 2.95Å; Y109-Q111 PolarHBondContact O-N 3.13Å; Q111-H117 PolarHBondContact NE2-CE1 3.29Å; Q111-H117 PolarHBondContact OE1-CE1 3.29Å; Q111-H117 PolarHBondContact OE1-ND1 2.91Å; Q111-Y142 PolarHBondContact OE1-OH 2.99Å; Q111-D143 PolarHBondContact NE2-OD2 3.41Å
112	S	95.6	Very high	97.2	Very high	80 Å²	80	53.5 Å²	53.5	56%	0.559	31%	0.313	S	S	*	.			trans	-68.4	146.9	179.6	175.2	0	0	0	0	112.5	A114 G115	S112-A114 PolarHBondContact O-N 3.48Å; S112-A114 PolarHBondContact OG-N 3.41Å; S112-G115 PolarHBondContact O-N 3.38Å
113	E	92.4	Very high	97.2	Very high	134 Å²	134	55.3 Å²	55.3	63%	0.626	32%	0.32	S	S	*	.	T	Hydrogen-bonded Turn	trans	-67.2	-20.5	174.8	-54.3	-154.4	127.3	0	0	113.9	P39 R106 G115	P39-E113 WeakPolarHBondContact CB-O 3.17Å; P39-E113 VanDerWaalsContact CG-O 3.26Å; P39-E113 WeakPolarHBondContact CG-O 3.48Å; R106-E113 IonicContact CZ-OE1 3.67Å; R106-E113 IonicContact NH1-OE1 3.7Å; R106-E113 IonicContact NH2-OE1 3.21Å; R106-E113 PolarHBondContact NH2-OE1 3.17Å; E113-G115 VanDerWaalsContact C-N 3.28Å
114	A	93.6	Very high	97.3	Very high	81 Å²	81	53.6 Å²	53.6	67%	0.669	30%	0.302	S	S	*	.	T	Hydrogen-bonded Turn	trans	-77.7	-14.4	178.3	0	0	0	0	0	113	S112	S112-A114 PolarHBondContact O-N 3.48Å; S112-A114 PolarHBondContact OG-N 3.41Å
115	G	94.5	Very high	97.3	Very high	25 Å²	25	51 Å²	51	26%	0.258	29%	0.286	S	S	.	.	S	Bend	trans	-75.8	135.9	-179.6	0	0	0	0	0	112.8	P39 S112 E113 H117	P39-G115 WeakPolarHBondContact CG-O 3.45Å; S112-G115 PolarHBondContact O-N 3.38Å; E113-G115 VanDerWaalsContact C-N 3.28Å; G115-H117 PolarHBondContact O-CD2 3.48Å; G115-H117 VanDerWaalsContact O-CD2 3.29Å
116	S	97.5	Very high	97.3	Very high	73 Å²	73	51.6 Å²	51.6	51%	0.51	29%	0.289	S	S	.	.			trans	-83.1	134.6	164.8	179.6	0	0	0	0	108.9	S37	S37-S116 WeakPolarHBondContact O-CB 3.3Å; S37-S116 PolarHBondContact O-OG 2.91Å
117	H	98.4	Very high	97.4	Very high	18 Å²	18	48.2 Å²	48.2	8%	0.083	28%	0.276	C	S	.	.			trans	-133	152	-175.2	-65.2	-70.3	0	0	0	110.3	S37 L102 Q111 G115 Y142 D143	S37-H117 PolarHBondContact N-O 3.44Å; S37-H117 PolarHBondContact OG-N 2.94Å; S37-H117 PolarHBondContact OG-O 3.43Å; L102-H117 HydrophobicContact CD2-CB 4.07Å; Q111-H117 PolarHBondContact NE2-CE1 3.29Å; Q111-H117 PolarHBondContact OE1-CE1 3.29Å; Q111-H117 PolarHBondContact OE1-ND1 2.91Å; G115-H117 PolarHBondContact O-CD2 3.48Å; G115-H117 VanDerWaalsContact O-CD2 3.29Å; H117-Y142 HydrophobicContact CB-CE2 3.89Å; H117-Y142 WeakPolarHBondContact CB-OH 3.38Å; H117-Y142 AromaticContact ND1-CZ 3.93Å; H117-Y142 PolarHBondContact ND1-OH 2.82Å; H117-D143 WeakPolarHBondContact CA-OD1 3.48Å; H117-D143 IonicContact CE1-OD2 3.7Å; H117-D143 IonicContact CG-OD1 3.7Å; H117-D143 IonicContact CG-OD2 2.73Å; H117-D143 IonicContact ND1-OD1 3.84Å; H117-D143 IonicContact ND1-OD2 3.46Å; H117-D143 PolarHBondContact ND1-OD2 2.98Å
118	T	98.8	Very high	97.2	Very high	34 Å²	34	46.6 Å²	46.6	21%	0.209	26%	0.26	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-125.7	129.2	-175.3	-55.1	0	0	0	0	110.9	T34 S35 V36 Q120 Y142 D143	T34-T118 HydrophobicContact CG2-CG2 3.9Å; S35-T118 CarbonylContact O-C 3.49Å; S35-T118 VanDerWaalsContact O-CA 3.31Å; S35-T118 WeakPolarHBondContact O-CA 3.33Å; V36-T118 HydrophobicContact CG2-CG2 4.14Å; T118-Q120 HydrophobicContact CG2-CG 3.94Å; T118-Y142 CarbonylContact O-C 3.58Å; T118-Y142 WeakPolarHBondContact O-CA 3.25Å; T118-Y142 VanDerWaalsContact O-CD2 3.3Å; T118-Y142 WeakPolarHBondContact O-CD2 3.36Å; T118-D143 PolarHBondContact N-OD1 2.98Å; T118-D143 PolarHBondContact O-N 3.31Å
119	I	98.8	Very high	96.9	Very high	10 Å²	10	48.7 Å²	48.7	5%	0.051	28%	0.284	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-104.5	132.6	162.9	-65.2	174.2	0	0	0	107.8	T34 S35 N101 L102 L105 A141 Y142	T34-I119 WeakPolarHBondContact CA-O 3.44Å; S35-I119 PolarHBondContact N-O 2.88Å; S35-I119 PolarHBondContact O-N 3.32Å; N101-I119 HydrophobicContact CB-CD1 3.63Å; L102-I119 HydrophobicContact CB-CD1 4.4Å; L102-I119 HydrophobicContact CD2-CD1 3.97Å; L102-I119 HydrophobicContact CD2-CG1 3.76Å; L102-I119 HydrophobicContact CG-CD1 3.72Å; L102-I119 HydrophobicContact CG-CG1 4.07Å; L105-I119 HydrophobicContact CD1-CD1 3.56Å; L105-I119 HydrophobicContact CD1-CG1 3.7Å; I119-A141 WeakPolarHBondContact CA-O 3.47Å; I119-Y142 HydrophobicContact CG1-CD2 3.86Å; I119-Y142 HydrophobicContact CG1-CE2 4.29Å
120	Q	98.8	Very high	96.5	Very high	80 Å²	80	49.5 Å²	49.5	37%	0.374	29%	0.292	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-122.3	146.1	170.2	-65.4	172.4	-91.3	0	0	109.3	T33 T34 T118 D140 A141	T33-Q120 WeakPolarHBondContact O-CA 3.49Å; T34-Q120 HydrophobicContact CG2-CG 4.08Å; T118-Q120 HydrophobicContact CG2-CG 3.94Å; Q120-D140 CarbonylContact O-C 3.55Å; Q120-D140 VanDerWaalsContact O-CA 3.3Å; Q120-D140 WeakPolarHBondContact O-CA 3.35Å; Q120-A141 HydrophobicContact CB-CB 4.32Å; Q120-A141 PolarHBondContact N-O 2.86Å; Q120-A141 PolarHBondContact O-N 2.86Å
121	M	98.5	Very high	96.3	Very high	7 Å²	7	42.9 Å²	42.9	3%	0.034	26%	0.26	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-144.6	134.1	-180	157.5	-166.5	119.8	0	0	109.2	F32 T33 Q94 Y123 R138 Q139 D140	F32-M121 CarbonylContact C-O 3.53Å; F32-M121 WeakPolarHBondContact CA-O 3.46Å; T33-M121 HydrophobicContact CG2-CE 3.77Å; T33-M121 PolarHBondContact N-O 3.02Å; T33-M121 PolarHBondContact O-N 2.94Å; T33-M121 WeakPolarHBondContact OG1-CB 3.2Å; T33-M121 WeakPolarHBondContact OG1-CE 3.28Å; Q94-M121 HydrophobicContact CG-CE 4.12Å; M121-Y123 HydrophobicContact CE-CD1 3.49Å; M121-Y123 VanDerWaalsContact CE-CD1 3.49Å; M121-Y123 HydrophobicContact CE-CE1 3.35Å; M121-Y123 HydrophobicContact CG-CD1 4.36Å; M121-R138 VanDerWaalsContact CG-CZ 3.46Å; M121-R138 PolarHBondContact SD-NH1 2.84Å; M121-R138 PolarHBondContact SD-NH2 3.31Å; M121-Q139 CarbonylContact C-O 3.57Å; M121-Q139 WeakPolarHBondContact CA-O 3.34Å; M121-D140 WeakPolarHBondContact CB-OD1 3.47Å; M121-D140 WeakPolarHBondContact CG-OD1 3.28Å
122	M	98.6	Very high	96.2	Very high	14 Å²	14	48 Å²	48	7%	0.069	28%	0.276	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-123.6	131.7	172.7	-174.8	-78.3	-72	0	0	109	Y31 F32 Y137 R138 Q139	Y31-M122 WeakPolarHBondContact O-CA 3.22Å; F32-M122 HydrophobicContact CD1-CB 3.89Å; F32-M122 HydrophobicContact CD1-CG 3.6Å; F32-M122 HydrophobicContact CE1-CB 4.02Å; F32-M122 HydrophobicContact CE1-CG 3.31Å; F32-M122 HydrophobicContact CG-CG 4.42Å; F32-M122 HydrophobicContact CZ-CG 3.91Å; M122-Y137 HydrophobicContact CE-CD1 4.2Å; M122-Y137 HydrophobicContact CE-CG 4.13Å; M122-R138 CarbonylContact O-C 3.46Å; M122-R138 WeakPolarHBondContact O-CA 3.47Å; M122-Q139 HydrophobicContact CB-CG 3.96Å; M122-Q139 VanDerWaalsContact CE-CD 3.43Å; M122-Q139 HydrophobicContact CE-CG 3.88Å; M122-Q139 PolarHBondContact N-O 3.38Å; M122-Q139 PolarHBondContact O-N 3.09Å
123	Y	98.5	Very high	96.3	Very high	48 Å²	48	47 Å²	47	19%	0.188	26%	0.262	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-145.7	156.7	171.4	70.6	-79.4	0	0	0	111.1	Y31 M121 Y137 Y183	Y31-Y123 VanDerWaalsContact CB-CZ 3.49Å; Y31-Y123 AromaticContact CD2-CE2 3.77Å; Y31-Y123 HydrophobicContact CD2-CE2 3.77Å; Y31-Y123 AromaticContact CD2-CZ 3.79Å; Y31-Y123 HydrophobicContact CG-CE1 4.18Å; Y31-Y123 HydrophobicContact CG-CE2 4.23Å; Y31-Y123 AromaticContact CG-CZ 3.76Å; Y31-Y123 PolarHBondContact N-O 2.84Å; Y31-Y123 PolarHBondContact O-N 2.7Å; Y31-Y123 VanDerWaalsContact O-N 3.07Å; M121-Y123 HydrophobicContact CE-CD1 3.49Å; M121-Y123 VanDerWaalsContact CE-CD1 3.49Å; M121-Y123 HydrophobicContact CE-CE1 3.35Å; M121-Y123 HydrophobicContact CG-CD1 4.36Å; Y123-Y137 WeakPolarHBondContact CA-O 3.04Å; Y123-Y137 WeakPolarHBondContact CB-O 3.2Å; Y123-Y183 AromaticContact CD2-CE1 3.88Å; Y123-Y183 HydrophobicContact CD2-CE1 3.88Å; Y123-Y183 AromaticContact CE2-CE1 3.8Å; Y123-Y183 HydrophobicContact CE2-CE1 3.8Å
124	G	98.6	Very high	96.5	Very high	0 Å²	0	45.7 Å²	45.7	0%	0	26%	0.259	C	S	.	.	E	Extended strand (participates in β ladder)	trans	161.3	-176.6	-178.1	0	0	0	0	0	113.8	M29 G136 Y137 L184	M29-G124 CarbonylContact O-C 3.6Å; M29-G124 WeakPolarHBondContact O-CA 3.35Å; G124-G136 CarbonylContact O-C 3.59Å; G124-G136 WeakPolarHBondContact O-CA 3.31Å; G124-Y137 PolarHBondContact N-O 2.88Å; G124-Y137 VanDerWaalsContact N-O 3.09Å; G124-Y137 PolarHBondContact O-N 3.24Å; G124-L184 WeakPolarHBondContact O-CD2 3.45Å
125	C	98.6	Very high	96.7	Very high	0 Å²	0	46.3 Å²	46.3	0%	0	24%	0.244	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-136.6	152	-176.1	56.2	0	0	0	0	111.2	S28 M29 F133 R135 C188 V189	S28-C125 WeakPolarHBondContact CA-O 3.32Å; M29-C125 PolarHBondContact N-O 2.89Å; M29-C125 PolarHBondContact O-N 3.39Å; C125-F133 HydrophobicContact CB-CD2 4.37Å; C125-F133 HydrophobicContact CB-CE2 4.07Å; C125-R135 CarbonylContact C-O 3.51Å; C125-R135 VanDerWaalsContact CA-O 3.31Å; C125-R135 WeakPolarHBondContact CA-O 3.33Å; C125-C188 HydrophobicContact CB-CB 3.91Å; C125-C188 WeakPolarHBondContact CB-SG 3.38Å; C125-C188 PolarHBondContact N-SG 2.78Å; C125-C188 WeakPolarHBondContact SG-CB 3.23Å; C125-C188 CovalentContact SG-SG 2.04Å; C125-C188 PolarHBondContact SG-SG 3.2Å; C125-V189 HydrophobicContact CB-CG2 4.5Å
126	D	98.3	Very high	96.8	Very high	25 Å²	25	45.3 Å²	45.3	13%	0.134	23%	0.234	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-112.8	142.5	171.8	-59.6	-11.3	0	0	0	109.4	H27 S28 R30 L134 R135 Y137	H27-D126 CarbonylContact O-C 3.58Å; H27-D126 WeakPolarHBondContact O-CA 3.33Å; S28-D126 WeakPolarHBondContact CB-OD1 3.41Å; R30-D126 IonicContact CZ-OD1 3.51Å; R30-D126 IonicContact NE-OD1 3.58Å; R30-D126 PolarHBondContact NE-OD1 3.39Å; R30-D126 VanDerWaalsContact NH2-CG 3.34Å; R30-D126 IonicContact NH2-OD1 2.69Å; R30-D126 PolarHBondContact NH2-OD1 2.8Å; R30-D126 IonicContact NH2-OD2 3.17Å; R30-D126 PolarHBondContact NH2-OD2 3.49Å; R30-D126 VanDerWaalsContact NH2-OD2 3.14Å; D126-L134 HydrophobicContact CB-CB 4.36Å; D126-L134 PolarHBondContact O-N 2.75Å; D126-R135 HydrophobicContact CB-CB 4.47Å; D126-R135 PolarHBondContact N-O 2.75Å; D126-R135 PolarHBondContact O-N 3.26Å; D126-Y137 VanDerWaalsContact CG-CE2 3.49Å; D126-Y137 WeakPolarHBondContact OD1-CE2 3.32Å; D126-Y137 WeakPolarHBondContact OD2-CE2 3.47Å; D126-Y137 VanDerWaalsContact OD2-CZ 3.27Å; D126-Y137 PolarHBondContact OD2-OH 3.21Å
127	V	97.5	Very high	96.9	Very high	0 Å²	0	43.8 Å²	43.8	0%	0	22%	0.217	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-125.8	147.8	174.8	-61.8	0	0	0	0	110.5	S26 H27 R132 V189 L192 L196	S26-V127 CarbonylContact C-O 3.53Å; S26-V127 VanDerWaalsContact CA-O 3.27Å; S26-V127 WeakPolarHBondContact CA-O 3.44Å; S26-V127 WeakPolarHBondContact CB-O 3.45Å; H27-V127 HydrophobicContact CB-CG2 3.97Å; H27-V127 PolarHBondContact N-O 3.43Å; H27-V127 PolarHBondContact O-N 3.17Å; V127-R132 CarbonylContact C-O 3.55Å; V127-R132 WeakPolarHBondContact CA-O 3.41Å; V127-R132 WeakPolarHBondContact CB-O 3.33Å; V127-V189 HydrophobicContact CG1-CB 4.37Å; V127-V189 HydrophobicContact CG1-CG1 3.89Å; V127-V189 HydrophobicContact CG1-CG2 4.02Å; V127-L192 HydrophobicContact CB-CD2 4.36Å; V127-L192 HydrophobicContact CG1-CD2 3.96Å; V127-L192 HydrophobicContact CG2-CD2 3.62Å; V127-L192 HydrophobicContact CG2-CG 4.16Å; V127-L196 HydrophobicContact CG2-CD1 4.43Å
128	G	94.8	Very high	96.8	Very high	10 Å²	10	44.2 Å²	44.2	10%	0.103	22%	0.218	C	C	.	.			trans	-75.9	-178.9	172.8	0	0	0	0	0	112	G25 D130 G131 R132	G25-G128 CarbonylContact O-C 3.6Å; G128-D130 PolarHBondContact O-N 2.86Å; G128-G131 VanDerWaalsContact O-CA 3.3Å; G128-G131 WeakPolarHBondContact O-CA 3.2Å; G128-G131 PolarHBondContact O-N 2.82Å; G128-R132 PolarHBondContact N-O 2.91Å
129	S	90.3	Very high	96.8	Very high	103 Å²	103	46.7 Å²	46.7	72%	0.72	23%	0.227	S	C	*	.	T	Hydrogen-bonded Turn	trans	-66	-22.6	178.6	53.2	0	0	0	0	114.1	G25 G131	G25-S129 WeakPolarHBondContact O-CA 3.3Å; G25-S129 VanDerWaalsContact O-CB 3.23Å; G25-S129 WeakPolarHBondContact O-CB 3.47Å; G25-S129 PolarHBondContact O-N 3.47Å; S129-G131 PolarHBondContact O-N 2.82Å
130	D	90.3	Very high	96.8	Very high	84 Å²	84	47.1 Å²	47.1	45%	0.449	23%	0.23	S	C	.	.	T	Hydrogen-bonded Turn	trans	-83.8	4.1	170	60.3	15.3	0	0	0	113.2	G128 R132	G128-D130 PolarHBondContact O-N 2.86Å; D130-R132 PolarHBondContact O-N 2.74Å; D130-R132 VanDerWaalsContact OD1-CB 3.26Å; D130-R132 WeakPolarHBondContact OD1-CB 3.4Å; D130-R132 PolarHBondContact OD1-N 3.31Å; D130-R132 IonicContact OD1-NE 2.7Å; D130-R132 IonicContact OD2-CZ 3.1Å; D130-R132 IonicContact OD2-NE 3.79Å; D130-R132 PolarHBondContact OD2-NE 3.04Å; D130-R132 IonicContact OD2-NH2 2.69Å; D130-R132 PolarHBondContact OD2-NH2 3.35Å
131	G	91.9	Very high	96.8	Very high	13 Å²	13	44.1 Å²	44.1	13%	0.134	22%	0.219	C	C	.	.			trans	72.9	3.7	-177.6	0	0	0	0	0	114.3	G128 S129 R193	G128-G131 VanDerWaalsContact O-CA 3.3Å; G128-G131 WeakPolarHBondContact O-CA 3.2Å; G128-G131 PolarHBondContact O-N 2.82Å; S129-G131 PolarHBondContact O-N 2.82Å; G131-R193 PolarHBondContact O-NE 3.04Å; G131-R193 PolarHBondContact O-NH2 2.85Å
132	R	95.8	Very high	96.8	Very high	168 Å²	168	44.4 Å²	44.4	63%	0.634	22%	0.219	S	C	*	.			trans	-74.8	146.5	179.2	-67.4	-171.1	-70.8	176.3	-5.1	111.3	V127 G128 D130 L134	V127-R132 CarbonylContact C-O 3.55Å; V127-R132 WeakPolarHBondContact CA-O 3.41Å; V127-R132 WeakPolarHBondContact CB-O 3.33Å; G128-R132 PolarHBondContact N-O 2.91Å; D130-R132 PolarHBondContact O-N 2.74Å; D130-R132 VanDerWaalsContact OD1-CB 3.26Å; D130-R132 WeakPolarHBondContact OD1-CB 3.4Å; D130-R132 PolarHBondContact OD1-N 3.31Å; D130-R132 IonicContact OD1-NE 2.7Å; D130-R132 IonicContact OD2-CZ 3.1Å; D130-R132 IonicContact OD2-NE 3.79Å; D130-R132 PolarHBondContact OD2-NE 3.04Å; D130-R132 IonicContact OD2-NH2 2.69Å; D130-R132 PolarHBondContact OD2-NH2 3.35Å; R132-L134 PolarHBondContact O-N 3.44Å
133	F	97.8	Very high	96.8	Very high	59 Å²	59	46.8 Å²	46.8	26%	0.259	23%	0.232	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-56	130.3	175.9	-179.3	-101.5	0	0	0	111.1	C125 R135 G136 L154 L184 E185 V189	C125-F133 HydrophobicContact CB-CD2 4.37Å; C125-F133 HydrophobicContact CB-CE2 4.07Å; F133-R135 VanDerWaalsContact CE2-C 3.46Å; F133-R135 WeakPolarHBondContact CE2-O 3.42Å; F133-G136 VanDerWaalsContact CZ-N 3.26Å; F133-L154 HydrophobicContact CE1-CD1 3.99Å; F133-L154 HydrophobicContact CZ-CD1 3.69Å; F133-L184 WeakPolarHBondContact CE2-O 3.4Å; F133-E185 HydrophobicContact CD1-CG 4.21Å; F133-E185 HydrophobicContact CE1-CG 3.97Å; F133-E185 HydrophobicContact CE2-CG 4.42Å; F133-E185 HydrophobicContact CZ-CG 4.07Å; F133-V189 HydrophobicContact CB-CG2 4.03Å; F133-V189 HydrophobicContact CD2-CG2 3.62Å; F133-V189 HydrophobicContact CG-CG2 4.3Å
134	L	97.1	Very high	96.8	Very high	108 Å²	108	47.2 Å²	47.2	57%	0.565	25%	0.252	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-108.6	-50.6	173.8	-65.5	-179.8	0	0	0	111.4	D126 R132	D126-L134 HydrophobicContact CB-CB 4.36Å; D126-L134 PolarHBondContact O-N 2.75Å; R132-L134 PolarHBondContact O-N 3.44Å
135	R	97.1	Very high	96.8	Very high	93 Å²	93	54.8 Å²	54.8	35%	0.351	29%	0.285	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-155.1	148.5	-171.9	-173.8	164.4	168.4	151.5	7.6	111.5	C125 D126 F133 Y137 E152	C125-R135 CarbonylContact C-O 3.51Å; C125-R135 VanDerWaalsContact CA-O 3.31Å; C125-R135 WeakPolarHBondContact CA-O 3.33Å; D126-R135 HydrophobicContact CB-CB 4.47Å; D126-R135 PolarHBondContact N-O 2.75Å; D126-R135 PolarHBondContact O-N 3.26Å; F133-R135 VanDerWaalsContact CE2-C 3.46Å; F133-R135 WeakPolarHBondContact CE2-O 3.42Å; R135-Y137 HydrophobicContact CB-CE2 4.15Å; R135-Y137 VanDerWaalsContact CD-OH 3.23Å; R135-Y137 WeakPolarHBondContact CD-OH 3.47Å; R135-Y137 HydrophobicContact CG-CE1 4.09Å; R135-Y137 HydrophobicContact CG-CE2 3.82Å; R135-Y137 PolarHBondContact NE-OH 2.9Å; R135-E152 VanDerWaalsContact CZ-CD 3.42Å; R135-E152 IonicContact CZ-OE1 3.62Å; R135-E152 IonicContact NH1-OE1 3.19Å; R135-E152 PolarHBondContact NH1-OE1 3.38Å; R135-E152 IonicContact NH1-OE2 2.72Å; R135-E152 VanDerWaalsContact NH2-CD 3.34Å; R135-E152 VanDerWaalsContact NH2-CG 3.31Å; R135-E152 IonicContact NH2-OE1 2.82Å; R135-E152 PolarHBondContact NH2-OE1 3Å
136	G	98	Very high	96.8	Very high	4 Å²	4	60.8 Å²	60.8	4%	0.041	32%	0.317	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-121.2	152.4	174.6	0	0	0	0	0	110.6	G124 F133	G124-G136 CarbonylContact O-C 3.59Å; G124-G136 WeakPolarHBondContact O-CA 3.31Å; F133-G136 VanDerWaalsContact CZ-N 3.26Å
137	Y	97.8	Very high	96.8	Very high	41 Å²	41	60.1 Å²	60.1	16%	0.161	31%	0.312	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-133.6	140.1	-177.5	-53.7	-95.3	0	0	0	110.2	R30 M122 Y123 G124 D126 R135	R30-Y137 VanDerWaalsContact NH2-CZ 3.26Å; R30-Y137 PolarHBondContact NH2-OH 2.8Å; M122-Y137 HydrophobicContact CE-CD1 4.2Å; M122-Y137 HydrophobicContact CE-CG 4.13Å; Y123-Y137 WeakPolarHBondContact CA-O 3.04Å; Y123-Y137 WeakPolarHBondContact CB-O 3.2Å; G124-Y137 PolarHBondContact N-O 2.88Å; G124-Y137 VanDerWaalsContact N-O 3.09Å; G124-Y137 PolarHBondContact O-N 3.24Å; D126-Y137 VanDerWaalsContact CG-CE2 3.49Å; D126-Y137 WeakPolarHBondContact OD1-CE2 3.32Å; D126-Y137 WeakPolarHBondContact OD2-CE2 3.47Å; D126-Y137 VanDerWaalsContact OD2-CZ 3.27Å; D126-Y137 PolarHBondContact OD2-OH 3.21Å; R135-Y137 HydrophobicContact CB-CE2 4.15Å; R135-Y137 VanDerWaalsContact CD-OH 3.23Å; R135-Y137 WeakPolarHBondContact CD-OH 3.47Å; R135-Y137 HydrophobicContact CG-CE1 4.09Å; R135-Y137 HydrophobicContact CG-CE2 3.82Å; R135-Y137 PolarHBondContact NE-OH 2.9Å
138	R	98.2	Very high	96.8	Very high	28 Å²	28	60.3 Å²	60.3	11%	0.106	31%	0.313	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-150.8	116.3	160.5	170.7	63	-173.5	-139.1	1.7	107.5	M121 M122 D140 A149 L150 W157 L180	M121-R138 VanDerWaalsContact CG-CZ 3.46Å; M121-R138 PolarHBondContact SD-NH1 2.84Å; M121-R138 PolarHBondContact SD-NH2 3.31Å; M122-R138 CarbonylContact O-C 3.46Å; M122-R138 WeakPolarHBondContact O-CA 3.47Å; R138-D140 IonicContact CZ-OD1 3.39Å; R138-D140 VanDerWaalsContact CZ-OD1 3.23Å; R138-D140 IonicContact CZ-OD2 3.3Å; R138-D140 IonicContact NE-OD1 3.71Å; R138-D140 PolarHBondContact NE-OD1 3.09Å; R138-D140 IonicContact NE-OD2 2.78Å; R138-D140 IonicContact NH2-OD1 3.12Å; R138-D140 PolarHBondContact NH2-OD1 3.29Å; R138-D140 IonicContact NH2-OD2 3.72Å; R138-D140 PolarHBondContact NH2-OD2 2.93Å; R138-A149 WeakPolarHBondContact O-CA 3.09Å; R138-L150 HydrophobicContact CB-CB 3.85Å; R138-L150 HydrophobicContact CB-CD2 4.18Å; R138-L150 PolarHBondContact O-N 2.92Å; R138-W157 HydrophobicContact CG-CH2 4.3Å; R138-W157 HydrophobicContact CG-CZ3 4.25Å; R138-L180 HydrophobicContact CB-CD1 4.38Å; R138-L180 HydrophobicContact CG-CD1 3.98Å
139	Q	98.3	Very high	97	Very high	85 Å²	85	61.3 Å²	61.3	40%	0.397	32%	0.321	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-142	136.1	177.8	64.7	-168.7	36.3	0	0	110.3	M121 M122 A149	M121-Q139 CarbonylContact C-O 3.57Å; M121-Q139 WeakPolarHBondContact CA-O 3.34Å; M122-Q139 HydrophobicContact CB-CG 3.96Å; M122-Q139 VanDerWaalsContact CE-CD 3.43Å; M122-Q139 HydrophobicContact CE-CG 3.88Å; M122-Q139 PolarHBondContact N-O 3.38Å; M122-Q139 PolarHBondContact O-N 3.09Å; Q139-A149 HydrophobicContact CB-CB 4.07Å
140	D	98.6	Very high	97.4	Very high	20 Å²	20	57.1 Å²	57.1	11%	0.107	29%	0.29	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-120.4	141.8	-179.5	-57.7	-9.2	0	0	0	108.8	Q120 M121 R138 Y147 I148 W171	Q120-D140 CarbonylContact O-C 3.55Å; Q120-D140 VanDerWaalsContact O-CA 3.3Å; Q120-D140 WeakPolarHBondContact O-CA 3.35Å; M121-D140 WeakPolarHBondContact CB-OD1 3.47Å; M121-D140 WeakPolarHBondContact CG-OD1 3.28Å; R138-D140 IonicContact CZ-OD1 3.39Å; R138-D140 VanDerWaalsContact CZ-OD1 3.23Å; R138-D140 IonicContact CZ-OD2 3.3Å; R138-D140 IonicContact NE-OD1 3.71Å; R138-D140 PolarHBondContact NE-OD1 3.09Å; R138-D140 IonicContact NE-OD2 2.78Å; R138-D140 IonicContact NH2-OD1 3.12Å; R138-D140 PolarHBondContact NH2-OD1 3.29Å; R138-D140 IonicContact NH2-OD2 3.72Å; R138-D140 PolarHBondContact NH2-OD2 2.93Å; D140-Y147 WeakPolarHBondContact O-CA 3.36Å; D140-Y147 WeakPolarHBondContact O-CB 3.25Å; D140-Y147 PolarHBondContact O-N 3.08Å; D140-I148 HydrophobicContact CB-CG2 4.17Å; D140-I148 PolarHBondContact N-O 3.38Å; D140-I148 PolarHBondContact O-N 2.86Å; D140-I148 VanDerWaalsContact O-N 3.16Å; D140-W171 WeakPolarHBondContact OD2-CH2 3.49Å
141	A	98.8	Very high	97.8	Very high	17 Å²	17	55.2 Å²	55.2	14%	0.14	28%	0.28	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-128.5	148	178.8	0	0	0	0	0	110.4	I119 Q120 K145	I119-A141 WeakPolarHBondContact CA-O 3.47Å; Q120-A141 HydrophobicContact CB-CB 4.32Å; Q120-A141 PolarHBondContact N-O 2.86Å; Q120-A141 PolarHBondContact O-N 2.86Å; A141-K145 CarbonylContact C-O 3.53Å; A141-K145 WeakPolarHBondContact CA-O 3.44Å; A141-K145 VanDerWaalsContact CB-O 3.23Å; A141-K145 WeakPolarHBondContact CB-O 3.28Å
142	Y	98.8	Very high	98.1	Very high	12 Å²	12	61 Å²	61	5%	0.047	30%	0.304	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-127.3	128	178.1	-174.6	-117.2	0	0	0	110.2	L102 L105 Y109 Q111 H117 T118 I119 G144 K145	L102-Y142 HydrophobicContact CD2-CE2 4.36Å; L105-Y142 HydrophobicContact CB-CD1 4.49Å; L105-Y142 HydrophobicContact CB-CD2 4.14Å; L105-Y142 HydrophobicContact CB-CE1 4.16Å; L105-Y142 HydrophobicContact CB-CE2 3.76Å; L105-Y142 HydrophobicContact CB-CG 4.47Å; 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 3.89Å; L105-Y142 HydrophobicContact CG-CD2 4.4Å; L105-Y142 HydrophobicContact CG-CE2 4.45Å; Y109-Y142 AromaticContact CD2-CD1 3.75Å; Y109-Y142 HydrophobicContact CD2-CD1 3.75Å; Y109-Y142 AromaticContact CD2-CE1 3.52Å; Y109-Y142 HydrophobicContact CD2-CE1 3.52Å; Y109-Y142 AromaticContact CE2-CD1 3.54Å; Y109-Y142 HydrophobicContact CE2-CD1 3.54Å; Y109-Y142 AromaticContact CE2-CE1 3.83Å; Y109-Y142 HydrophobicContact CE2-CE1 3.83Å; Y109-Y142 HydrophobicContact CE2-CG 4.48Å; Y109-Y142 HydrophobicContact CG-CE1 4.4Å; Q111-Y142 PolarHBondContact OE1-OH 2.99Å; H117-Y142 HydrophobicContact CB-CE2 3.89Å; H117-Y142 WeakPolarHBondContact CB-OH 3.38Å; H117-Y142 AromaticContact ND1-CZ 3.93Å; H117-Y142 PolarHBondContact ND1-OH 2.82Å; T118-Y142 CarbonylContact O-C 3.58Å; T118-Y142 WeakPolarHBondContact O-CA 3.25Å; T118-Y142 VanDerWaalsContact O-CD2 3.3Å; T118-Y142 WeakPolarHBondContact O-CD2 3.36Å; I119-Y142 HydrophobicContact CG1-CD2 3.86Å; I119-Y142 HydrophobicContact CG1-CE2 4.29Å; Y142-G144 PolarHBondContact O-N 3.3Å; Y142-K145 PolarHBondContact N-O 3.31Å; Y142-K145 PolarHBondContact O-N 3.24Å
143	D	98.3	Very high	98.2	Very high	64 Å²	64	56.7 Å²	56.7	34%	0.342	29%	0.293	S	S	.	.	T	Hydrogen-bonded Turn	trans	49.6	39.5	-176	-66.6	-21.1	0	0	0	113.3	Q111 H117 T118 K145	Q111-D143 PolarHBondContact NE2-OD2 3.41Å; H117-D143 WeakPolarHBondContact CA-OD1 3.48Å; H117-D143 IonicContact CE1-OD2 3.7Å; H117-D143 IonicContact CG-OD1 3.7Å; H117-D143 IonicContact CG-OD2 2.73Å; H117-D143 IonicContact ND1-OD1 3.84Å; H117-D143 IonicContact ND1-OD2 3.46Å; H117-D143 PolarHBondContact ND1-OD2 2.98Å; T118-D143 PolarHBondContact N-OD1 2.98Å; T118-D143 PolarHBondContact O-N 3.31Å; D143-K145 VanDerWaalsContact C-N 3.31Å; D143-K145 PolarHBondContact O-N 3.05Å
144	G	97.5	Very high	98.2	Very high	58 Å²	58	54.1 Å²	54.1	60%	0.598	28%	0.282	S	S	*	.	T	Hydrogen-bonded Turn	trans	77.9	7.8	177.9	0	0	0	0	0	115.2	Y142	Y142-G144 PolarHBondContact O-N 3.3Å
145	K	98.4	Very high	98.2	Very high	158 Å²	158	56.8 Å²	56.8	69%	0.687	29%	0.285	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-114.1	144.9	176.2	-61.9	179.5	-177.2	177.4	0	110.6	A141 Y142 D143 Y147	A141-K145 CarbonylContact C-O 3.53Å; A141-K145 WeakPolarHBondContact CA-O 3.44Å; A141-K145 VanDerWaalsContact CB-O 3.23Å; A141-K145 WeakPolarHBondContact CB-O 3.28Å; Y142-K145 PolarHBondContact N-O 3.31Å; Y142-K145 PolarHBondContact O-N 3.24Å; D143-K145 VanDerWaalsContact C-N 3.31Å; D143-K145 PolarHBondContact O-N 3.05Å; K145-Y147 PolarHBondContact O-N 3.3Å
146	D	98.7	Very high	98.3	Very high	126 Å²	126	54.2 Å²	54.2	67%	0.674	28%	0.281	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-53.5	134.7	173.5	-65.9	-33.1	0	0	0	110.4	A160	D146-A160 HydrophobicContact CB-CB 4.43Å; D146-A160 WeakPolarHBondContact O-CB 3.44Å
147	Y	98.8	Very high	98.3	Very high	11 Å²	11	54.6 Å²	54.6	4%	0.043	28%	0.281	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-113.1	-62.2	179.5	179.5	-106.2	0	0	0	110.4	L105 Y109 D140 K145 A160 A163 A164 T167	L105-Y147 HydrophobicContact CD2-CD2 4.29Å; L105-Y147 HydrophobicContact CD2-CE1 3.89Å; L105-Y147 HydrophobicContact CD2-CE2 3.51Å; L105-Y147 VanDerWaalsContact CD2-OH 3.26Å; L105-Y147 WeakPolarHBondContact CD2-OH 3.31Å; Y109-Y147 HydrophobicContact CE2-CD2 4.41Å; Y109-Y147 HydrophobicContact CE2-CE2 4.11Å; Y109-Y147 WeakPolarHBondContact OH-CD2 3.35Å; Y109-Y147 WeakPolarHBondContact OH-CE2 3.18Å; D140-Y147 WeakPolarHBondContact O-CA 3.36Å; D140-Y147 WeakPolarHBondContact O-CB 3.25Å; D140-Y147 PolarHBondContact O-N 3.08Å; K145-Y147 PolarHBondContact O-N 3.3Å; Y147-A160 WeakPolarHBondContact O-CB 3Å; Y147-A160 PolarHBondContact O-N 2.95Å; Y147-A163 HydrophobicContact CE2-CB 4.43Å; Y147-A163 PolarHBondContact OH-O 2.88Å; Y147-A164 HydrophobicContact CD2-CB 3.86Å; Y147-A164 HydrophobicContact CE1-CB 4.37Å; Y147-A164 HydrophobicContact CE2-CB 3.71Å; Y147-A164 HydrophobicContact CG-CB 4.26Å; Y147-A164 WeakPolarHBondContact O-CB 3.34Å; Y147-T167 HydrophobicContact CE1-CG2 4.19Å; Y147-T167 PolarHBondContact OH-OG1 3.38Å
148	I	98.8	Very high	98.4	Very high	4 Å²	4	56.3 Å²	56.3	2%	0.021	30%	0.296	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-149	140.5	178.5	-161.5	173.3	0	0	0	110.9	D140 W157 T158 T167 Q168 W171	D140-I148 HydrophobicContact CB-CG2 4.17Å; D140-I148 PolarHBondContact N-O 3.38Å; D140-I148 PolarHBondContact O-N 2.86Å; D140-I148 VanDerWaalsContact O-N 3.16Å; I148-W157 HydrophobicContact CD1-CB 4.25Å; I148-W157 HydrophobicContact CD1-CD2 4.38Å; I148-W157 HydrophobicContact CD1-CE3 4.15Å; I148-W157 HydrophobicContact CD1-CG 4.44Å; I148-W157 HydrophobicContact CG1-CB 4.35Å; I148-W157 HydrophobicContact CG1-CE3 4.03Å; I148-T158 WeakPolarHBondContact CA-O 3.5Å; I148-T167 HydrophobicContact CD1-CG2 4.13Å; I148-Q168 HydrophobicContact CD1-CB 3.92Å; I148-W171 HydrophobicContact CD1-CE3 4.17Å; I148-W171 HydrophobicContact CD1-CZ3 4.47Å; I148-W171 HydrophobicContact CG2-CH2 4.24Å; I148-W171 HydrophobicContact CG2-CZ3 3.88Å
149	A	98.8	Very high	98.4	Very high	32 Å²	32	56.1 Å²	56.1	26%	0.264	30%	0.301	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-132	140.1	178.5	0	0	0	0	0	111.7	R138 Q139 W157 T158	R138-A149 WeakPolarHBondContact O-CA 3.09Å; Q139-A149 HydrophobicContact CB-CB 4.07Å; A149-W157 CarbonylContact O-C 3.56Å; A149-W157 WeakPolarHBondContact O-CA 3.46Å; A149-T158 PolarHBondContact N-O 3.47Å; A149-T158 PolarHBondContact O-N 3.4Å
150	L	98.8	Very high	98.4	Very high	14 Å²	14	55 Å²	55	7%	0.073	31%	0.306	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-74.3	127.1	168.7	-176.2	67.5	0	0	0	108.3	R138 L154 W157 A177 L180 L184	R138-L150 HydrophobicContact CB-CB 3.85Å; R138-L150 HydrophobicContact CB-CD2 4.18Å; R138-L150 PolarHBondContact O-N 2.92Å; L150-L154 HydrophobicContact CD2-CB 4.45Å; L150-L154 HydrophobicContact CD2-CD2 3.77Å; L150-L154 HydrophobicContact CG-CD2 4.32Å; L150-W157 HydrophobicContact CB-CE3 4.04Å; L150-W157 HydrophobicContact CB-CH2 4.13Å; L150-W157 HydrophobicContact CB-CZ3 3.67Å; L150-W157 HydrophobicContact CD1-CD2 4.21Å; L150-W157 HydrophobicContact CD1-CE3 4.29Å; L150-W157 HydrophobicContact CD1-CH2 4.04Å; L150-W157 HydrophobicContact CD1-CZ2 3.94Å; L150-W157 HydrophobicContact CD1-CZ3 4.2Å; L150-A177 HydrophobicContact CD1-CB 3.97Å; L150-L180 HydrophobicContact CD2-CB 4.31Å; L150-L180 HydrophobicContact CD2-CD1 4.48Å; L150-L184 HydrophobicContact CD2-CD1 3.95Å
151	N	98.6	Very high	98.4	Very high	45 Å²	45	56.8 Å²	56.8	24%	0.241	32%	0.315	C	S	.	.			trans	-71.1	163.4	-179.7	-67.3	-28.1	0	0	0	111.4	D153 L154 S156 T158	N151-D153 PolarHBondContact O-N 2.94Å; N151-D153 VanDerWaalsContact O-N 3.07Å; N151-L154 PolarHBondContact O-N 2.84Å; N151-S156 WeakPolarHBondContact CB-O 3.38Å; N151-S156 WeakPolarHBondContact CB-OG 3.47Å; N151-S156 PolarHBondContact N-O 2.91Å; N151-S156 PolarHBondContact ND2-OG 3.44Å; N151-T158 PolarHBondContact ND2-OG1 3.16Å; N151-T158 WeakPolarHBondContact OD1-CB 3.37Å; N151-T158 PolarHBondContact OD1-OG1 2.91Å
152	E	97.5	Very high	98.3	Very high	134 Å²	134	62.3 Å²	62.3	63%	0.626	34%	0.34	S	S	*	.	T	Hydrogen-bonded Turn	trans	-59.5	-22.1	-179.4	-65	-177.2	-171.4	0	0	113.5	R135 L154	R135-E152 VanDerWaalsContact CZ-CD 3.42Å; R135-E152 IonicContact CZ-OE1 3.62Å; R135-E152 IonicContact NH1-OE1 3.19Å; R135-E152 PolarHBondContact NH1-OE1 3.38Å; R135-E152 IonicContact NH1-OE2 2.72Å; R135-E152 VanDerWaalsContact NH2-CD 3.34Å; R135-E152 VanDerWaalsContact NH2-CG 3.31Å; R135-E152 IonicContact NH2-OE1 2.82Å; R135-E152 PolarHBondContact NH2-OE1 3Å; E152-L154 PolarHBondContact O-N 3.04Å
153	D	97.6	Very high	98.3	Very high	77 Å²	77	62.1 Å²	62.1	41%	0.412	34%	0.341	S	S	.	.	T	Hydrogen-bonded Turn	trans	-71.8	-9.1	174.4	70.6	4.2	0	0	0	114	N151 R155 S156	N151-D153 PolarHBondContact O-N 2.94Å; N151-D153 VanDerWaalsContact O-N 3.07Å; D153-R155 WeakPolarHBondContact O-CG 3.31Å; D153-R155 PolarHBondContact O-N 3.45Å; D153-R155 PolarHBondContact OD1-N 2.89Å; D153-S156 VanDerWaalsContact CG-OG 3.23Å; D153-S156 PolarHBondContact OD1-N 2.88Å; D153-S156 PolarHBondContact OD1-OG 3.16Å; D153-S156 VanDerWaalsContact OD1-OG 3.12Å; D153-S156 WeakPolarHBondContact OD2-CB 3.42Å; D153-S156 PolarHBondContact OD2-OG 2.6Å
154	L	98.1	Very high	98.3	Very high	5 Å²	5	59.1 Å²	59.1	3%	0.026	33%	0.325	C	S	.	.	S	Bend	trans	54.2	27.1	-175.7	-51.4	177.2	0	0	0	114	F133 L150 N151 E152 R181 L184 E185	F133-L154 HydrophobicContact CE1-CD1 3.99Å; F133-L154 HydrophobicContact CZ-CD1 3.69Å; L150-L154 HydrophobicContact CD2-CB 4.45Å; L150-L154 HydrophobicContact CD2-CD2 3.77Å; L150-L154 HydrophobicContact CG-CD2 4.32Å; N151-L154 PolarHBondContact O-N 2.84Å; E152-L154 PolarHBondContact O-N 3.04Å; L154-R181 HydrophobicContact CB-CB 4.08Å; L154-R181 HydrophobicContact CB-CG 3.85Å; L154-R181 HydrophobicContact CD1-CG 4.08Å; L154-L184 HydrophobicContact CD2-CD1 4.09Å; L154-E185 HydrophobicContact CD1-CG 4.01Å
155	R	97.7	Very high	98.4	Very high	165 Å²	165	59.1 Å²	59.1	62%	0.623	31%	0.309	S	S	*	.	S	Bend	trans	-133.1	-33.7	-174.5	-70.8	170.5	-176.6	-93.9	14.1	112.4	D153 R181	D153-R155 WeakPolarHBondContact O-CG 3.31Å; D153-R155 PolarHBondContact O-N 3.45Å; D153-R155 PolarHBondContact OD1-N 2.89Å; R155-R181 VanDerWaalsContact CZ-NH1 3.25Å
156	S	98	Very high	98.4	Very high	39 Å²	39	54.5 Å²	54.5	27%	0.273	29%	0.291	S	S	.	.			trans	-113.5	163.1	-177.3	63.7	0	0	0	0	112	N151 D153	N151-S156 WeakPolarHBondContact CB-O 3.38Å; N151-S156 WeakPolarHBondContact CB-OG 3.47Å; N151-S156 PolarHBondContact N-O 2.91Å; N151-S156 PolarHBondContact ND2-OG 3.44Å; D153-S156 VanDerWaalsContact CG-OG 3.23Å; D153-S156 PolarHBondContact OD1-N 2.88Å; D153-S156 PolarHBondContact OD1-OG 3.16Å; D153-S156 VanDerWaalsContact OD1-OG 3.12Å; D153-S156 WeakPolarHBondContact OD2-CB 3.42Å; D153-S156 PolarHBondContact OD2-OG 2.6Å
157	W	98.7	Very high	98.3	Very high	11 Å²	11	49.4 Å²	49.4	4%	0.042	27%	0.265	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-119.8	145.9	-177	-61.6	93.8	0	0	0	110.9	R138 I148 A149 L150 Q168 W171 V176 A177 L180	R138-W157 HydrophobicContact CG-CH2 4.3Å; R138-W157 HydrophobicContact CG-CZ3 4.25Å; I148-W157 HydrophobicContact CD1-CB 4.25Å; I148-W157 HydrophobicContact CD1-CD2 4.38Å; I148-W157 HydrophobicContact CD1-CE3 4.15Å; I148-W157 HydrophobicContact CD1-CG 4.44Å; I148-W157 HydrophobicContact CG1-CB 4.35Å; I148-W157 HydrophobicContact CG1-CE3 4.03Å; A149-W157 CarbonylContact O-C 3.56Å; A149-W157 WeakPolarHBondContact O-CA 3.46Å; L150-W157 HydrophobicContact CB-CE3 4.04Å; L150-W157 HydrophobicContact CB-CH2 4.13Å; L150-W157 HydrophobicContact CB-CZ3 3.67Å; L150-W157 HydrophobicContact CD1-CD2 4.21Å; L150-W157 HydrophobicContact CD1-CE3 4.29Å; L150-W157 HydrophobicContact CD1-CH2 4.04Å; L150-W157 HydrophobicContact CD1-CZ2 3.94Å; L150-W157 HydrophobicContact CD1-CZ3 4.2Å; W157-Q168 HydrophobicContact CB-CG 4.06Å; W157-Q168 PolarHBondContact O-NE2 3.31Å; W157-W171 HydrophobicContact CD2-CE3 4.02Å; W157-W171 AromaticContact CE2-CE3 3.8Å; W157-W171 AromaticContact CE3-CE3 3.87Å; W157-W171 HydrophobicContact CE3-CE3 3.87Å; W157-W171 AromaticContact CE3-CZ3 3.97Å; W157-W171 HydrophobicContact CE3-CZ3 3.97Å; W157-W171 HydrophobicContact CH2-CD2 4.46Å; W157-W171 AromaticContact CH2-CE3 3.27Å; W157-W171 HydrophobicContact CH2-CE3 3.27Å; W157-W171 HydrophobicContact CH2-CH2 4.43Å; W157-W171 AromaticContact CH2-CZ3 3.26Å; W157-W171 HydrophobicContact CH2-CZ3 3.26Å; W157-W171 HydrophobicContact CZ2-CD2 4.37Å; W157-W171 AromaticContact CZ2-CE3 3.44Å; W157-W171 HydrophobicContact CZ2-CE3 3.44Å; W157-W171 VanDerWaalsContact CZ2-CE3 3.44Å; W157-W171 AromaticContact CZ2-CZ3 3.96Å; W157-W171 HydrophobicContact CZ2-CZ3 3.96Å; W157-W171 AromaticContact CZ3-CE3 3.52Å; W157-W171 HydrophobicContact CZ3-CE3 3.52Å; W157-W171 AromaticContact CZ3-CZ3 3.3Å; W157-W171 HydrophobicContact CZ3-CZ3 3.3Å; W157-V176 HydrophobicContact CZ2-CB 4.29Å; W157-V176 HydrophobicContact CZ2-CG1 4.08Å; W157-A177 HydrophobicContact CZ2-CB 4.24Å; W157-L180 HydrophobicContact CH2-CD1 3.39Å; W157-L180 HydrophobicContact CZ2-CD1 3.83Å
158	T	98.7	Very high	98.3	Very high	78 Å²	78	50.8 Å²	50.8	48%	0.479	27%	0.272	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-108.6	117.1	166	-66.4	0	0	0	0	108.8	I148 A149 N151	I148-T158 WeakPolarHBondContact CA-O 3.5Å; A149-T158 PolarHBondContact N-O 3.47Å; A149-T158 PolarHBondContact O-N 3.4Å; N151-T158 PolarHBondContact ND2-OG1 3.16Å; N151-T158 WeakPolarHBondContact OD1-CB 3.37Å; N151-T158 PolarHBondContact OD1-OG1 2.91Å
159	A	98.6	Very high	98.3	Very high	24 Å²	24	57.7 Å²	57.7	20%	0.198	30%	0.297	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-96.4	132.7	175.2	0	0	0	0	0	110.3	A164 Q165 Q168	A159-A164 HydrophobicContact CB-CB 3.72Å; A159-Q165 HydrophobicContact CB-CG 4Å; A159-Q168 HydrophobicContact CB-CB 4.42Å
160	A	98.4	Very high	98.3	Very high	61 Å²	61	61.6 Å²	61.6	50%	0.504	31%	0.308	S	S	.	.	S	Bend	trans	-75.7	-30.5	-176.4	0	0	0	0	0	113.4	D146 Y147	D146-A160 HydrophobicContact CB-CB 4.43Å; D146-A160 WeakPolarHBondContact O-CB 3.44Å; Y147-A160 WeakPolarHBondContact O-CB 3Å; Y147-A160 PolarHBondContact O-N 2.95Å
161	D	98.2	Very high	98.3	Very high	57 Å²	57	63.4 Å²	63.4	31%	0.305	31%	0.314	S	S	.	.	S	Bend	trans	-150.9	-175.7	-178.2	67.9	28	0	0	0	113.3	Y109 A163 A164 Q165	Y109-D161 VanDerWaalsContact CE1-OD2 3.22Å; Y109-D161 WeakPolarHBondContact CE1-OD2 3.47Å; Y109-D161 VanDerWaalsContact OH-CG 3.25Å; Y109-D161 PolarHBondContact OH-OD1 3.39Å; Y109-D161 PolarHBondContact OH-OD2 2.96Å; D161-A163 VanDerWaalsContact C-N 3.3Å; D161-A163 PolarHBondContact O-N 3.3Å; D161-A163 WeakPolarHBondContact OD1-CA 3.37Å; D161-A163 WeakPolarHBondContact OD1-CB 3.03Å; D161-A163 PolarHBondContact OD1-N 3.46Å; D161-A164 PolarHBondContact O-N 3.3Å; D161-A164 PolarHBondContact OD1-N 3.37Å; D161-Q165 WeakPolarHBondContact O-CG 3.39Å; D161-Q165 PolarHBondContact O-N 2.88Å
162	M	98	Very high	98.3	Very high	133 Å²	133	65.7 Å²	65.7	66%	0.655	32%	0.323	S	S	*	.	H	α-helix	trans	-64.6	-29.4	-179.1	-66	-57.7	-59.7	0	0	113.8
163	A	97.9	Very high	98.3	Very high	9 Å²	9	63.5 Å²	63.5	7%	0.074	33%	0.328	C	S	.	.	H	α-helix	trans	-72.8	-44	175.8	0	0	0	0	0	110.1	Y108 Y109 Y147 D161 Q165 I166	Y108-A163 HydrophobicContact CD2-CB 4.49Å; Y109-A163 HydrophobicContact CD1-CB 4.26Å; Y109-A163 HydrophobicContact CE1-CB 3.66Å; Y109-A163 HydrophobicContact CE2-CB 3.94Å; Y109-A163 VanDerWaalsContact CZ-CB 3.48Å; Y147-A163 HydrophobicContact CE2-CB 4.43Å; Y147-A163 PolarHBondContact OH-O 2.88Å; D161-A163 VanDerWaalsContact C-N 3.3Å; D161-A163 PolarHBondContact O-N 3.3Å; D161-A163 WeakPolarHBondContact OD1-CA 3.37Å; D161-A163 WeakPolarHBondContact OD1-CB 3.03Å; D161-A163 PolarHBondContact OD1-N 3.46Å; A163-Q165 VanDerWaalsContact C-N 3.26Å; A163-Q165 PolarHBondContact O-N 3.49Å; A163-I166 VanDerWaalsContact O-CB 3.26Å; A163-I166 WeakPolarHBondContact O-CB 3.37Å; A163-I166 PolarHBondContact O-N 3.46Å
164	A	98.5	Very high	98.4	Very high	0 Å²	0	62.8 Å²	62.8	0%	0	33%	0.333	C	S	.	.	H	α-helix	trans	-60	-33.7	174.5	0	0	0	0	0	113.2	Y147 A159 D161 I166 T167 Q168	Y147-A164 HydrophobicContact CD2-CB 3.86Å; Y147-A164 HydrophobicContact CE1-CB 4.37Å; Y147-A164 HydrophobicContact CE2-CB 3.71Å; Y147-A164 HydrophobicContact CG-CB 4.26Å; Y147-A164 WeakPolarHBondContact O-CB 3.34Å; A159-A164 HydrophobicContact CB-CB 3.72Å; D161-A164 PolarHBondContact O-N 3.3Å; D161-A164 PolarHBondContact OD1-N 3.37Å; A164-I166 PolarHBondContact O-N 2.88Å; A164-T167 WeakPolarHBondContact O-CB 3.22Å; A164-T167 PolarHBondContact O-N 3.37Å; A164-T167 VanDerWaalsContact O-N 3.08Å; A164-Q168 PolarHBondContact O-N 3.33Å
165	Q	98.6	Very high	98.3	Very high	59 Å²	59	70 Å²	70	28%	0.276	36%	0.36	S	S	.	.	H	α-helix	trans	-60.4	-28.4	173.2	-73.1	176.9	18	0	0	113.1	A159 D161 A163 R169	A159-Q165 HydrophobicContact CB-CG 4Å; D161-Q165 WeakPolarHBondContact O-CG 3.39Å; D161-Q165 PolarHBondContact O-N 2.88Å; A163-Q165 VanDerWaalsContact C-N 3.26Å; A163-Q165 PolarHBondContact O-N 3.49Å; Q165-R169 VanDerWaalsContact O-CG 3.31Å; Q165-R169 WeakPolarHBondContact O-CG 3.31Å; Q165-R169 PolarHBondContact O-N 3.36Å; Q165-R169 VanDerWaalsContact O-N 3.09Å
166	I	98.4	Very high	98.4	Very high	60 Å²	60	63.5 Å²	63.5	31%	0.308	34%	0.339	S	S	.	.	H	α-helix	trans	-66.9	-45.4	174.7	-56.3	171.1	0	0	0	109.6	Y108 A163 A164 K170	Y108-I166 HydrophobicContact CD1-CD1 4.32Å; Y108-I166 HydrophobicContact CD2-CD1 4.39Å; Y108-I166 HydrophobicContact CE1-CD1 4.44Å; Y108-I166 HydrophobicContact CE1-CG2 4.32Å; Y108-I166 HydrophobicContact CE2-CB 4.06Å; Y108-I166 HydrophobicContact CE2-CG2 3.93Å; Y108-I166 HydrophobicContact CG-CD1 4.3Å; Y108-I166 WeakPolarHBondContact OH-CG2 3.42Å; A163-I166 VanDerWaalsContact O-CB 3.26Å; A163-I166 WeakPolarHBondContact O-CB 3.37Å; A163-I166 PolarHBondContact O-N 3.46Å; A164-I166 PolarHBondContact O-N 2.88Å; I166-K170 WeakPolarHBondContact O-CG 3.47Å; I166-K170 PolarHBondContact O-N 3.38Å
167	T	98.4	Very high	98.4	Very high	19 Å²	19	62 Å²	62	12%	0.117	33%	0.329	C	S	.	.	H	α-helix	trans	-62.9	-45.5	174.4	-67.5	0	0	0	0	111.2	Y147 I148 A164 R169 K170 W171	Y147-T167 HydrophobicContact CE1-CG2 4.19Å; Y147-T167 PolarHBondContact OH-OG1 3.38Å; I148-T167 HydrophobicContact CD1-CG2 4.13Å; A164-T167 WeakPolarHBondContact O-CB 3.22Å; A164-T167 PolarHBondContact O-N 3.37Å; A164-T167 VanDerWaalsContact O-N 3.08Å; T167-R169 PolarHBondContact O-N 3.04Å; T167-K170 WeakPolarHBondContact O-CB 3.31Å; T167-K170 PolarHBondContact O-N 2.93Å; T167-K170 VanDerWaalsContact O-N 3.13Å; T167-W171 HydrophobicContact CG2-CD2 3.78Å; T167-W171 HydrophobicContact CG2-CE3 4.28Å; T167-W171 HydrophobicContact CG2-CG 4.09Å; T167-W171 HydrophobicContact CG2-CZ2 4.04Å; T167-W171 WeakPolarHBondContact O-CB 3.33Å; T167-W171 PolarHBondContact O-N 2.95Å
168	Q	98.7	Very high	98.4	Very high	40 Å²	40	66.9 Å²	66.9	19%	0.187	35%	0.352	C	S	.	.	H	α-helix	trans	-52	-53.4	177.5	176.2	174.5	14.2	0	0	111.7	I148 W157 A159 A164 K170 W171 E172	I148-Q168 HydrophobicContact CD1-CB 3.92Å; W157-Q168 HydrophobicContact CB-CG 4.06Å; W157-Q168 PolarHBondContact O-NE2 3.31Å; A159-Q168 HydrophobicContact CB-CB 4.42Å; A164-Q168 PolarHBondContact O-N 3.33Å; Q168-K170 VanDerWaalsContact C-N 3.29Å; Q168-K170 PolarHBondContact O-N 2.89Å; Q168-W171 PolarHBondContact O-N 2.92Å; Q168-W171 VanDerWaalsContact O-N 3.11Å; Q168-E172 HydrophobicContact CG-CG 4.3Å; Q168-E172 VanDerWaalsContact CG-OE1 3.25Å; Q168-E172 WeakPolarHBondContact CG-OE1 3.31Å; Q168-E172 PolarHBondContact NE2-OE1 2.95Å; Q168-E172 WeakPolarHBondContact O-CB 3.41Å; Q168-E172 WeakPolarHBondContact O-CG 3.31Å; Q168-E172 PolarHBondContact O-N 2.93Å
169	R	98.7	Very high	98.3	Very high	149 Å²	149	69.9 Å²	69.9	56%	0.562	36%	0.36	S	S	*	.	H	α-helix	trans	-59.3	-39.4	-179.9	-68.8	170.6	-164.6	150.2	9.2	112.4	Q165 T167 A173	Q165-R169 VanDerWaalsContact O-CG 3.31Å; Q165-R169 WeakPolarHBondContact O-CG 3.31Å; Q165-R169 PolarHBondContact O-N 3.36Å; Q165-R169 VanDerWaalsContact O-N 3.09Å; T167-R169 PolarHBondContact O-N 3.04Å; R169-A173 VanDerWaalsContact O-CB 3.32Å; R169-A173 WeakPolarHBondContact O-CB 3.49Å; R169-A173 PolarHBondContact O-N 3.07Å
170	K	98.3	Very high	98.2	Very high	114 Å²	114	70.1 Å²	70.1	50%	0.496	36%	0.358	S	S	.	.	H	α-helix	trans	-65.2	-44	176.3	-72.4	177.1	173.2	-173	0	111.6	Y108 I166 T167 Q168 A173 A174	Y108-K170 PolarHBondContact OH-NZ 3.17Å; I166-K170 WeakPolarHBondContact O-CG 3.47Å; I166-K170 PolarHBondContact O-N 3.38Å; T167-K170 WeakPolarHBondContact O-CB 3.31Å; T167-K170 PolarHBondContact O-N 2.93Å; T167-K170 VanDerWaalsContact O-N 3.13Å; Q168-K170 VanDerWaalsContact C-N 3.29Å; Q168-K170 PolarHBondContact O-N 2.89Å; K170-A173 PolarHBondContact O-N 3.49Å; K170-A174 VanDerWaalsContact O-CB 3.31Å; K170-A174 WeakPolarHBondContact O-CB 3.28Å; K170-A174 PolarHBondContact O-N 3.09Å
171	W	98.4	Very high	98.2	Very high	53 Å²	53	70.6 Å²	70.6	20%	0.201	35%	0.347	C	S	.	.	H	α-helix	trans	-71	-36.2	-178.5	-76.9	11.6	0	0	0	112.7	D140 I148 W157 T167 Q168 A174 R175 V176	D140-W171 WeakPolarHBondContact OD2-CH2 3.49Å; I148-W171 HydrophobicContact CD1-CE3 4.17Å; I148-W171 HydrophobicContact CD1-CZ3 4.47Å; I148-W171 HydrophobicContact CG2-CH2 4.24Å; I148-W171 HydrophobicContact CG2-CZ3 3.88Å; W157-W171 HydrophobicContact CD2-CE3 4.02Å; W157-W171 AromaticContact CE2-CE3 3.8Å; W157-W171 AromaticContact CE3-CE3 3.87Å; W157-W171 HydrophobicContact CE3-CE3 3.87Å; W157-W171 AromaticContact CE3-CZ3 3.97Å; W157-W171 HydrophobicContact CE3-CZ3 3.97Å; W157-W171 HydrophobicContact CH2-CD2 4.46Å; W157-W171 AromaticContact CH2-CE3 3.27Å; W157-W171 HydrophobicContact CH2-CE3 3.27Å; W157-W171 HydrophobicContact CH2-CH2 4.43Å; W157-W171 AromaticContact CH2-CZ3 3.26Å; W157-W171 HydrophobicContact CH2-CZ3 3.26Å; W157-W171 HydrophobicContact CZ2-CD2 4.37Å; W157-W171 AromaticContact CZ2-CE3 3.44Å; W157-W171 HydrophobicContact CZ2-CE3 3.44Å; W157-W171 VanDerWaalsContact CZ2-CE3 3.44Å; W157-W171 AromaticContact CZ2-CZ3 3.96Å; W157-W171 HydrophobicContact CZ2-CZ3 3.96Å; W157-W171 AromaticContact CZ3-CE3 3.52Å; W157-W171 HydrophobicContact CZ3-CE3 3.52Å; W157-W171 AromaticContact CZ3-CZ3 3.3Å; W157-W171 HydrophobicContact CZ3-CZ3 3.3Å; T167-W171 HydrophobicContact CG2-CD2 3.78Å; T167-W171 HydrophobicContact CG2-CE3 4.28Å; T167-W171 HydrophobicContact CG2-CG 4.09Å; T167-W171 HydrophobicContact CG2-CZ2 4.04Å; T167-W171 WeakPolarHBondContact O-CB 3.33Å; T167-W171 PolarHBondContact O-N 2.95Å; Q168-W171 PolarHBondContact O-N 2.92Å; Q168-W171 VanDerWaalsContact O-N 3.11Å; W171-A174 CarbonylContact O-C 3.58Å; W171-A174 PolarHBondContact O-N 3.39Å; W171-R175 PolarHBondContact O-N 3.16Å; W171-V176 HydrophobicContact CB-CB 4.02Å; W171-V176 HydrophobicContact CB-CG2 3.92Å; W171-V176 HydrophobicContact CD2-CB 4.49Å; W171-V176 HydrophobicContact CD2-CG1 4.3Å; W171-V176 HydrophobicContact CD2-CG2 4.5Å; W171-V176 HydrophobicContact CE3-CG1 4.48Å; W171-V176 HydrophobicContact CG-CB 4.17Å; W171-V176 HydrophobicContact CG-CG1 4.46Å; W171-V176 HydrophobicContact CG-CG2 3.87Å; W171-V176 PolarHBondContact O-N 3.44Å
172	E	98.5	Very high	98.3	Very high	92 Å²	92	71 Å²	71	43%	0.43	36%	0.358	S	S	.	.	H	α-helix	trans	-64.7	-47.7	172	-73	170.9	174.3	0	0	111.1	Q168 A174 R175	Q168-E172 HydrophobicContact CG-CG 4.3Å; Q168-E172 VanDerWaalsContact CG-OE1 3.25Å; Q168-E172 WeakPolarHBondContact CG-OE1 3.31Å; Q168-E172 PolarHBondContact NE2-OE1 2.95Å; Q168-E172 WeakPolarHBondContact O-CB 3.41Å; Q168-E172 WeakPolarHBondContact O-CG 3.31Å; Q168-E172 PolarHBondContact O-N 2.93Å; E172-A174 VanDerWaalsContact C-N 3.26Å; E172-A174 PolarHBondContact O-N 3Å; E172-R175 PolarHBondContact O-N 3.42Å
173	A	98.4	Very high	98.3	Very high	88 Å²	88	67.7 Å²	67.7	73%	0.727	34%	0.339	S	S	*	.	H	α-helix	trans	-60.5	-36.6	176.4	0	0	0	0	0	112.6	R169 K170 R175	R169-A173 VanDerWaalsContact O-CB 3.32Å; R169-A173 WeakPolarHBondContact O-CB 3.49Å; R169-A173 PolarHBondContact O-N 3.07Å; K170-A173 PolarHBondContact O-N 3.49Å; A173-R175 VanDerWaalsContact C-N 3.34Å
174	A	98.2	Very high	98.3	Very high	62 Å²	62	67.3 Å²	67.3	51%	0.512	34%	0.336	S	S	.	.	T	Hydrogen-bonded Turn	trans	-86.6	0.9	176.7	0	0	0	0	0	114.1	K170 W171 E172 V176	K170-A174 VanDerWaalsContact O-CB 3.31Å; K170-A174 WeakPolarHBondContact O-CB 3.28Å; K170-A174 PolarHBondContact O-N 3.09Å; W171-A174 CarbonylContact O-C 3.58Å; W171-A174 PolarHBondContact O-N 3.39Å; E172-A174 VanDerWaalsContact C-N 3.26Å; E172-A174 PolarHBondContact O-N 3Å; A174-V176 VanDerWaalsContact C-N 3.26Å; A174-V176 HydrophobicContact CB-CG2 4.05Å; A174-V176 PolarHBondContact O-N 3.32Å
175	R	97.9	Very high	98.3	Very high	157 Å²	157	71 Å²	71	59%	0.592	35%	0.353	S	S	*	.	T	Hydrogen-bonded Turn	trans	52.6	38.4	-179	-58.3	179.6	173.3	-147.1	6	114.3	W171 E172 A173 A177 E178	W171-R175 PolarHBondContact O-N 3.16Å; E172-R175 PolarHBondContact O-N 3.42Å; A173-R175 VanDerWaalsContact C-N 3.34Å; R175-A177 PolarHBondContact O-N 3.39Å; R175-E178 HydrophobicContact CB-CG 4.27Å; R175-E178 WeakPolarHBondContact CD-OE1 3.32Å; R175-E178 IonicContact CZ-OE1 3.42Å; R175-E178 IonicContact NE-OE1 3.54Å; R175-E178 IonicContact NH1-OE1 2.74Å; R175-E178 PolarHBondContact NH1-OE1 3.16Å; R175-E178 IonicContact NH1-OE2 3.24Å; R175-E178 PolarHBondContact O-N 3.05Å; R175-E178 VanDerWaalsContact O-N 3.08Å
176	V	98.3	Very high	98.3	Very high	29 Å²	29	69.4 Å²	69.4	18%	0.176	35%	0.352	C	S	.	.	H	α-helix	trans	-58.4	-34.6	-177.3	176.7	0	0	0	0	112	W157 W171 A174 E178 Q179 L180	W157-V176 HydrophobicContact CZ2-CB 4.29Å; W157-V176 HydrophobicContact CZ2-CG1 4.08Å; W171-V176 HydrophobicContact CB-CB 4.02Å; W171-V176 HydrophobicContact CB-CG2 3.92Å; W171-V176 HydrophobicContact CD2-CB 4.49Å; W171-V176 HydrophobicContact CD2-CG1 4.3Å; W171-V176 HydrophobicContact CD2-CG2 4.5Å; W171-V176 HydrophobicContact CE3-CG1 4.48Å; W171-V176 HydrophobicContact CG-CB 4.17Å; W171-V176 HydrophobicContact CG-CG1 4.46Å; W171-V176 HydrophobicContact CG-CG2 3.87Å; W171-V176 PolarHBondContact O-N 3.44Å; A174-V176 VanDerWaalsContact C-N 3.26Å; A174-V176 HydrophobicContact CB-CG2 4.05Å; A174-V176 PolarHBondContact O-N 3.32Å; V176-E178 VanDerWaalsContact C-N 3.29Å; V176-E178 PolarHBondContact O-N 2.83Å; V176-Q179 PolarHBondContact O-N 3.46Å; V176-L180 HydrophobicContact CG1-CD1 3.87Å; V176-L180 HydrophobicContact CG1-CG 4.27Å; V176-L180 PolarHBondContact O-N 3.13Å; V176-L180 VanDerWaalsContact O-N 3.07Å
177	A	98.4	Very high	98.3	Very high	8 Å²	8	69.2 Å²	69.2	7%	0.066	35%	0.354	C	S	.	.	H	α-helix	trans	-60.3	-36	178	0	0	0	0	0	112.9	L150 W157 R175 Q179 L180 R181	L150-A177 HydrophobicContact CD1-CB 3.97Å; W157-A177 HydrophobicContact CZ2-CB 4.24Å; R175-A177 PolarHBondContact O-N 3.39Å; A177-Q179 PolarHBondContact O-N 3.11Å; A177-L180 PolarHBondContact O-N 3.35Å; A177-R181 WeakPolarHBondContact O-CB 3.36Å; A177-R181 PolarHBondContact O-N 3.09Å
178	E	98	Very high	98.3	Very high	113 Å²	113	68.3 Å²	68.3	53%	0.528	35%	0.348	S	S	.	.	H	α-helix	trans	-64.5	-41	178.9	-64.2	178.6	-170.2	0	0	111.4	R175 V176 A182	R175-E178 HydrophobicContact CB-CG 4.27Å; R175-E178 WeakPolarHBondContact CD-OE1 3.32Å; R175-E178 IonicContact CZ-OE1 3.42Å; R175-E178 IonicContact NE-OE1 3.54Å; R175-E178 IonicContact NH1-OE1 2.74Å; R175-E178 PolarHBondContact NH1-OE1 3.16Å; R175-E178 IonicContact NH1-OE2 3.24Å; R175-E178 PolarHBondContact O-N 3.05Å; R175-E178 VanDerWaalsContact O-N 3.08Å; V176-E178 VanDerWaalsContact C-N 3.29Å; V176-E178 PolarHBondContact O-N 2.83Å; E178-A182 PolarHBondContact O-N 3.22Å; E178-A182 VanDerWaalsContact O-N 3.09Å
179	Q	97	Very high	98.3	Very high	140 Å²	140	66.7 Å²	66.7	65%	0.654	34%	0.341	S	S	*	.	H	α-helix	trans	-68	-45.1	177.6	-63.2	179.7	-2	0	0	111.8	V176 A177 R181 A182 Y183	V176-Q179 PolarHBondContact O-N 3.46Å; A177-Q179 PolarHBondContact O-N 3.11Å; Q179-R181 VanDerWaalsContact C-N 3.34Å; Q179-A182 PolarHBondContact O-N 3.2Å; Q179-Y183 PolarHBondContact O-N 2.84Å; Q179-Y183 VanDerWaalsContact O-N 3.11Å
180	L	98	Very high	98.2	Very high	30 Å²	30	65.6 Å²	65.6	16%	0.157	34%	0.342	C	S	.	.	H	α-helix	trans	-63.3	-42.7	177.4	-72.9	171	0	0	0	111.3	R138 L150 W157 V176 A177 A182 Y183 L184	R138-L180 HydrophobicContact CB-CD1 4.38Å; R138-L180 HydrophobicContact CG-CD1 3.98Å; L150-L180 HydrophobicContact CD2-CB 4.31Å; L150-L180 HydrophobicContact CD2-CD1 4.48Å; W157-L180 HydrophobicContact CH2-CD1 3.39Å; W157-L180 HydrophobicContact CZ2-CD1 3.83Å; V176-L180 HydrophobicContact CG1-CD1 3.87Å; V176-L180 HydrophobicContact CG1-CG 4.27Å; V176-L180 PolarHBondContact O-N 3.13Å; V176-L180 VanDerWaalsContact O-N 3.07Å; A177-L180 PolarHBondContact O-N 3.35Å; L180-A182 PolarHBondContact O-N 3.41Å; L180-Y183 PolarHBondContact O-N 2.88Å; L180-L184 WeakPolarHBondContact O-CB 3.41Å; L180-L184 WeakPolarHBondContact O-CG 3.05Å; L180-L184 PolarHBondContact O-N 3.04Å
181	R	98.4	Very high	98.2	Very high	70 Å²	70	63.2 Å²	63.2	26%	0.264	33%	0.33	S	S	.	.	H	α-helix	trans	-59.3	-45.7	176.2	-175.8	172.9	-178.3	-134.7	-12.4	112	L154 R155 A177 Q179 Y183 L184 E185	L154-R181 HydrophobicContact CB-CB 4.08Å; L154-R181 HydrophobicContact CB-CG 3.85Å; L154-R181 HydrophobicContact CD1-CG 4.08Å; R155-R181 VanDerWaalsContact CZ-NH1 3.25Å; A177-R181 WeakPolarHBondContact O-CB 3.36Å; A177-R181 PolarHBondContact O-N 3.09Å; Q179-R181 VanDerWaalsContact C-N 3.34Å; R181-Y183 VanDerWaalsContact C-N 3.3Å; R181-Y183 PolarHBondContact O-N 3.04Å; R181-L184 PolarHBondContact O-N 3.44Å; R181-E185 HydrophobicContact CG-CG 4.12Å; R181-E185 IonicContact CZ-OE1 3.68Å; R181-E185 VanDerWaalsContact CZ-OE1 3.3Å; R181-E185 IonicContact CZ-OE2 2.68Å; R181-E185 VanDerWaalsContact NE-CD 3.35Å; R181-E185 IonicContact NE-OE1 2.93Å; R181-E185 PolarHBondContact NE-OE1 2.92Å; R181-E185 IonicContact NE-OE2 3.3Å; R181-E185 PolarHBondContact NE-OE2 2.99Å; R181-E185 IonicContact NH2-OE1 2.72Å; R181-E185 PolarHBondContact NH2-OE1 3.47Å; R181-E185 IonicContact NH2-OE2 2.99Å; R181-E185 PolarHBondContact NH2-OE2 3.47Å; R181-E185 WeakPolarHBondContact O-CB 3.32Å; R181-E185 PolarHBondContact O-N 3.24Å
182	A	98.4	Very high	98.2	Very high	65 Å²	65	60.7 Å²	60.7	54%	0.537	32%	0.32	S	S	.	.	H	α-helix	trans	-59.7	-40.9	176.9	0	0	0	0	0	112.3	E178 Q179 L180 G186	E178-A182 PolarHBondContact O-N 3.22Å; E178-A182 VanDerWaalsContact O-N 3.09Å; Q179-A182 PolarHBondContact O-N 3.2Å; L180-A182 PolarHBondContact O-N 3.41Å; A182-G186 PolarHBondContact O-N 3.23Å; A182-G186 VanDerWaalsContact O-N 3.16Å
183	Y	98.3	Very high	98.2	Very high	64 Å²	64	61.9 Å²	61.9	25%	0.251	32%	0.321	S	S	.	.	I	π-helix	trans	-66.3	-47.5	174.3	171.1	-95.9	0	0	0	112.4	Y123 Q179 L180 R181 T187 C188	Y123-Y183 AromaticContact CD2-CE1 3.88Å; Y123-Y183 HydrophobicContact CD2-CE1 3.88Å; Y123-Y183 AromaticContact CE2-CE1 3.8Å; Y123-Y183 HydrophobicContact CE2-CE1 3.8Å; Q179-Y183 PolarHBondContact O-N 2.84Å; Q179-Y183 VanDerWaalsContact O-N 3.11Å; L180-Y183 PolarHBondContact O-N 2.88Å; R181-Y183 VanDerWaalsContact C-N 3.3Å; R181-Y183 PolarHBondContact O-N 3.04Å; Y183-T187 HydrophobicContact CD2-CG2 3.99Å; Y183-T187 HydrophobicContact CE2-CG2 3.86Å; Y183-T187 PolarHBondContact O-N 3.06Å; Y183-T187 VanDerWaalsContact O-N 3.13Å; Y183-C188 HydrophobicContact CD1-CB 4.36Å; Y183-C188 HydrophobicContact CE1-CB 3.93Å; Y183-C188 WeakPolarHBondContact O-CB 3.27Å; Y183-C188 PolarHBondContact O-N 3.26Å
184	L	98.6	Very high	98.2	Very high	2 Å²	2	63.6 Å²	63.6	1%	0.01	31%	0.309	C	S	.	.	I	π-helix	trans	-69.2	-42.2	-173.9	-71	173	0	0	0	112.7	G124 F133 L150 L154 L180 R181	G124-L184 WeakPolarHBondContact O-CD2 3.45Å; F133-L184 WeakPolarHBondContact CE2-O 3.4Å; L150-L184 HydrophobicContact CD2-CD1 3.95Å; L154-L184 HydrophobicContact CD2-CD1 4.09Å; L180-L184 WeakPolarHBondContact O-CB 3.41Å; L180-L184 WeakPolarHBondContact O-CG 3.05Å; L180-L184 PolarHBondContact O-N 3.04Å; R181-L184 PolarHBondContact O-N 3.44Å
185	E	98.4	Very high	98.1	Very high	78 Å²	78	60.6 Å²	60.6	36%	0.364	28%	0.284	S	S	.	.	I	π-helix	trans	-79	-24.6	178.6	-67.8	-177.8	170.7	0	0	112.5	F133 L154 R181	F133-E185 HydrophobicContact CD1-CG 4.21Å; F133-E185 HydrophobicContact CE1-CG 3.97Å; F133-E185 HydrophobicContact CE2-CG 4.42Å; F133-E185 HydrophobicContact CZ-CG 4.07Å; L154-E185 HydrophobicContact CD1-CG 4.01Å; R181-E185 HydrophobicContact CG-CG 4.12Å; R181-E185 IonicContact CZ-OE1 3.68Å; R181-E185 VanDerWaalsContact CZ-OE1 3.3Å; R181-E185 IonicContact CZ-OE2 2.68Å; R181-E185 VanDerWaalsContact NE-CD 3.35Å; R181-E185 IonicContact NE-OE1 2.93Å; R181-E185 PolarHBondContact NE-OE1 2.92Å; R181-E185 IonicContact NE-OE2 3.3Å; R181-E185 PolarHBondContact NE-OE2 2.99Å; R181-E185 IonicContact NH2-OE1 2.72Å; R181-E185 PolarHBondContact NH2-OE1 3.47Å; R181-E185 IonicContact NH2-OE2 2.99Å; R181-E185 PolarHBondContact NH2-OE2 3.47Å; R181-E185 WeakPolarHBondContact O-CB 3.32Å; R181-E185 PolarHBondContact O-N 3.24Å
186	G	98.2	Very high	98.1	Very high	24 Å²	24	53.7 Å²	53.7	25%	0.247	26%	0.259	C	S	.	.	I	π-helix	trans	-107.4	-91.8	-177.2	0	0	0	0	0	112.9	A182 C188 V189 E190	A182-G186 PolarHBondContact O-N 3.23Å; A182-G186 VanDerWaalsContact O-N 3.16Å; G186-C188 VanDerWaalsContact C-N 3.3Å; G186-C188 PolarHBondContact O-N 2.93Å; G186-V189 PolarHBondContact O-N 2.82Å; G186-E190 PolarHBondContact O-N 3.07Å
187	T	98.1	Very high	98	Very high	56 Å²	56	58 Å²	58	34%	0.344	28%	0.277	S	S	.	.	I	π-helix	trans	-53.5	-42.2	-171	-56.6	0	0	0	0	113.4	Y183 V189 E190 W191	Y183-T187 HydrophobicContact CD2-CG2 3.99Å; Y183-T187 HydrophobicContact CE2-CG2 3.86Å; Y183-T187 PolarHBondContact O-N 3.06Å; Y183-T187 VanDerWaalsContact O-N 3.13Å; T187-V189 PolarHBondContact O-N 2.94Å; T187-E190 PolarHBondContact O-N 3.24Å; T187-W191 VanDerWaalsContact CG2-CD1 3.49Å; T187-W191 PolarHBondContact O-N 2.83Å
188	C	98.5	Very high	97.9	Very high	0 Å²	0	60.2 Å²	60.2	0%	0	29%	0.288	C	S	.	.	H	α-helix	trans	-60.1	-46.6	178.5	-175.3	0	0	0	0	111.6	M29 C125 Y183 G186 W191 L192	M29-C188 HydrophobicContact CE-CB 4.15Å; M29-C188 VanDerWaalsContact CE-O 3.23Å; M29-C188 WeakPolarHBondContact CE-O 3.47Å; M29-C188 WeakPolarHBondContact CE-SG 3.42Å; C125-C188 HydrophobicContact CB-CB 3.91Å; C125-C188 WeakPolarHBondContact CB-SG 3.38Å; C125-C188 PolarHBondContact N-SG 2.78Å; C125-C188 WeakPolarHBondContact SG-CB 3.23Å; C125-C188 CovalentContact SG-SG 2.04Å; C125-C188 PolarHBondContact SG-SG 3.2Å; Y183-C188 HydrophobicContact CD1-CB 4.36Å; Y183-C188 HydrophobicContact CE1-CB 3.93Å; Y183-C188 WeakPolarHBondContact O-CB 3.27Å; Y183-C188 PolarHBondContact O-N 3.26Å; G186-C188 VanDerWaalsContact C-N 3.3Å; G186-C188 PolarHBondContact O-N 2.93Å; C188-W191 PolarHBondContact O-N 3.08Å; C188-L192 WeakPolarHBondContact O-CB 3.15Å; C188-L192 PolarHBondContact O-N 2.88Å
189	V	98.5	Very high	97.8	Very high	6 Å²	6	55 Å²	55	4%	0.036	26%	0.264	C	S	.	.	H	α-helix	trans	-66	-42.3	179.3	173.4	0	0	0	0	111.2	C125 V127 F133 G186 T187 L192 R193	C125-V189 HydrophobicContact CB-CG2 4.5Å; V127-V189 HydrophobicContact CG1-CB 4.37Å; V127-V189 HydrophobicContact CG1-CG1 3.89Å; V127-V189 HydrophobicContact CG1-CG2 4.02Å; F133-V189 HydrophobicContact CB-CG2 4.03Å; F133-V189 HydrophobicContact CD2-CG2 3.62Å; F133-V189 HydrophobicContact CG-CG2 4.3Å; G186-V189 PolarHBondContact O-N 2.82Å; T187-V189 PolarHBondContact O-N 2.94Å; V189-L192 PolarHBondContact O-N 3.28Å; V189-R193 VanDerWaalsContact O-CG 3.32Å; V189-R193 WeakPolarHBondContact O-CG 3.19Å; V189-R193 PolarHBondContact O-N 3.04Å
190	E	98.3	Very high	97.7	Very high	126 Å²	126	53.3 Å²	53.3	59%	0.589	26%	0.255	S	S	*	.	H	α-helix	trans	-60.6	-47.2	177.5	-70.7	174.7	172.3	0	0	111.8	G186 T187 R193 R194	G186-E190 PolarHBondContact O-N 3.07Å; T187-E190 PolarHBondContact O-N 3.24Å; E190-R193 PolarHBondContact O-N 3.33Å; E190-R194 PolarHBondContact O-N 2.04Å; E190-R194 VanDerWaalsContact O-N 3.09Å
191	W	98.3	Very high	97.4	Very high	64 Å²	64	61.1 Å²	61.1	24%	0.242	29%	0.288	C	S	.	.	H	α-helix	trans	-66.8	-42.8	177.2	-81.9	108.4	0	0	0	112.4	M29 Y83 T187 C188 R193 R194 Y195	M29-W191 HydrophobicContact CE-CB 4.08Å; M29-W191 HydrophobicContact SD-CB 4.46Å; Y83-W191 AromaticContact CD2-CH2 3.46Å; Y83-W191 HydrophobicContact CD2-CH2 3.46Å; Y83-W191 VanDerWaalsContact CD2-CH2 3.46Å; Y83-W191 HydrophobicContact CD2-CZ2 4.05Å; Y83-W191 AromaticContact CD2-CZ3 3.87Å; Y83-W191 HydrophobicContact CD2-CZ3 3.87Å; Y83-W191 HydrophobicContact CE2-CE3 4.39Å; Y83-W191 AromaticContact CE2-CH2 3.87Å; Y83-W191 HydrophobicContact CE2-CH2 3.87Å; Y83-W191 HydrophobicContact CE2-CZ2 4.35Å; Y83-W191 AromaticContact CE2-CZ3 3.89Å; Y83-W191 HydrophobicContact CE2-CZ3 3.89Å; T187-W191 VanDerWaalsContact CG2-CD1 3.49Å; T187-W191 PolarHBondContact O-N 2.83Å; C188-W191 PolarHBondContact O-N 3.08Å; W191-R193 VanDerWaalsContact C-N 3.33Å; W191-R193 PolarHBondContact O-N 2.98Å; W191-R194 WeakPolarHBondContact O-CB 3.46Å; W191-R194 PolarHBondContact O-N 2.89Å; W191-R194 VanDerWaalsContact O-N 3.16Å; W191-Y195 HydrophobicContact CB-CE2 4.05Å; W191-Y195 HydrophobicContact CD2-CE1 4.5Å; W191-Y195 HydrophobicContact CE3-CD1 4.35Å; W191-Y195 AromaticContact CE3-CE1 3.41Å; W191-Y195 HydrophobicContact CE3-CE1 3.41Å; W191-Y195 VanDerWaalsContact CE3-CE1 3.41Å; W191-Y195 HydrophobicContact CE3-CE2 4.34Å; W191-Y195 AromaticContact CE3-CZ 3.39Å; W191-Y195 AromaticContact CZ3-CE1 3.82Å; W191-Y195 HydrophobicContact CZ3-CE1 3.82Å; W191-Y195 WeakPolarHBondContact O-CD2 3.49Å; W191-Y195 VanDerWaalsContact O-CG 3.23Å; W191-Y195 PolarHBondContact O-N 3.46Å
192	L	98.5	Very high	97.1	Very high	0 Å²	0	60 Å²	60	0%	0	29%	0.289	C	S	.	.	H	α-helix	trans	-58.4	-45.9	176.8	175	52.3	0	0	0	111.1	H27 M29 V52 V127 C188 V189 R194 Y195 L196	H27-L192 HydrophobicContact CB-CD1 4.43Å; M29-L192 HydrophobicContact CB-CB 4.09Å; M29-L192 HydrophobicContact CB-CD1 4.02Å; M29-L192 HydrophobicContact CB-CD2 4.11Å; M29-L192 HydrophobicContact CB-CG 4.28Å; M29-L192 HydrophobicContact CE-CB 4.47Å; V52-L192 HydrophobicContact CG1-CD1 3.6Å; V52-L192 HydrophobicContact CG2-CD1 4.24Å; V127-L192 HydrophobicContact CB-CD2 4.36Å; V127-L192 HydrophobicContact CG1-CD2 3.96Å; V127-L192 HydrophobicContact CG2-CD2 3.62Å; V127-L192 HydrophobicContact CG2-CG 4.16Å; C188-L192 WeakPolarHBondContact O-CB 3.15Å; C188-L192 PolarHBondContact O-N 2.88Å; V189-L192 PolarHBondContact O-N 3.28Å; L192-R194 VanDerWaalsContact C-N 3.35Å; L192-R194 PolarHBondContact O-N 3.11Å; L192-Y195 PolarHBondContact O-N 3.21Å; L192-L196 HydrophobicContact CD1-CD1 3.87Å; L192-L196 HydrophobicContact CD1-CD2 4.43Å; L192-L196 HydrophobicContact CD1-CG 3.88Å; L192-L196 HydrophobicContact CG-CD1 4Å; L192-L196 HydrophobicContact CG-CG 4.47Å; L192-L196 WeakPolarHBondContact O-CB 3.49Å; L192-L196 VanDerWaalsContact O-CG 3.27Å; L192-L196 WeakPolarHBondContact O-CG 3.49Å; L192-L196 PolarHBondContact O-N 3.33Å
193	R	97.6	Very high	96.8	Very high	117 Å²	117	57.1 Å²	57.1	44%	0.442	26%	0.264	S	S	.	.	H	α-helix	trans	-59.6	-43.8	175.3	-72	174	-175.4	169.6	1.3	112.4	G131 V189 E190 W191 L196 E197	G131-R193 PolarHBondContact O-NE 3.04Å; G131-R193 PolarHBondContact O-NH2 2.85Å; V189-R193 VanDerWaalsContact O-CG 3.32Å; V189-R193 WeakPolarHBondContact O-CG 3.19Å; V189-R193 PolarHBondContact O-N 3.04Å; E190-R193 PolarHBondContact O-N 3.33Å; W191-R193 VanDerWaalsContact C-N 3.33Å; W191-R193 PolarHBondContact O-N 2.98Å; R193-L196 PolarHBondContact O-N 3.45Å; R193-E197 PolarHBondContact O-N 3.49Å
194	R	97.6	Very high	96.4	Very high	124 Å²	124	58.1 Å²	58.1	47%	0.468	27%	0.271	S	S	.	.	H	α-helix	trans	-60.9	-44.7	176.2	176.6	175.9	174.8	132.3	-3.4	111.5	E79 E190 W191 L192 E197 N198	E79-R194 IonicContact OE1-CZ 3.45Å; E79-R194 IonicContact OE1-NE 2.75Å; E79-R194 PolarHBondContact OE1-NE 3.07Å; E79-R194 IonicContact OE1-NH2 3.31Å; E79-R194 PolarHBondContact OE1-NH2 2.8Å; E79-R194 IonicContact OE2-CZ 3.7Å; E79-R194 IonicContact OE2-NE 3.83Å; E79-R194 IonicContact OE2-NH2 2.74Å; E79-R194 PolarHBondContact OE2-NH2 2.91Å; E190-R194 PolarHBondContact O-N 2.04Å; E190-R194 VanDerWaalsContact O-N 3.09Å; W191-R194 WeakPolarHBondContact O-CB 3.46Å; W191-R194 PolarHBondContact O-N 2.89Å; W191-R194 VanDerWaalsContact O-N 3.16Å; L192-R194 VanDerWaalsContact C-N 3.35Å; L192-R194 PolarHBondContact O-N 3.11Å; R194-E197 PolarHBondContact O-N 2.92Å; R194-N198 VanDerWaalsContact O-CB 3.27Å; R194-N198 WeakPolarHBondContact O-CB 3.04Å; R194-N198 PolarHBondContact O-N 2.8Å; R194-N198 PolarHBondContact O-OD1 2.86Å
195	Y	97.9	Very high	96.1	Very high	0 Å²	0	61.6 Å²	61.6	0%	0	28%	0.284	C	S	.	.	H	α-helix	trans	-66.3	-39.5	178.5	-62	-25.3	0	0	0	112.5	M29 V52 F57 W75 I76 Y83 W191 L192 E197 N198 G199 L203	M29-Y195 HydrophobicContact SD-CD2 3.73Å; M29-Y195 HydrophobicContact SD-CE2 3.56Å; M29-Y195 VanDerWaalsContact SD-CE2 3.56Å; V52-Y195 HydrophobicContact CG2-CD2 3.97Å; V52-Y195 HydrophobicContact CG2-CG 4.49Å; F57-Y195 HydrophobicContact CD2-CE2 4.46Å; F57-Y195 HydrophobicContact CE2-CD2 4.19Å; F57-Y195 AromaticContact CE2-CE2 3.61Å; F57-Y195 HydrophobicContact CE2-CE2 3.61Å; F57-Y195 AromaticContact CE2-CZ 3.97Å; F57-Y195 HydrophobicContact CZ-CD2 4.23Å; F57-Y195 AromaticContact CZ-CE2 3.76Å; F57-Y195 HydrophobicContact CZ-CE2 3.76Å; W75-Y195 HydrophobicContact CH2-CG 4.2Å; W75-Y195 AromaticContact CZ3-CD1 3.79Å; W75-Y195 HydrophobicContact CZ3-CD1 3.79Å; W75-Y195 HydrophobicContact CZ3-CD2 4.36Å; W75-Y195 AromaticContact CZ3-CG 3.68Å; W75-Y195 HydrophobicContact CZ3-CG 3.68Å; I76-Y195 HydrophobicContact CD1-CD1 3.81Å; I76-Y195 HydrophobicContact CD1-CE1 3.3Å; Y83-Y195 WeakPolarHBondContact CE2-OH 3.32Å; Y83-Y195 PolarHBondContact OH-OH 3Å; W191-Y195 HydrophobicContact CB-CE2 4.05Å; W191-Y195 HydrophobicContact CD2-CE1 4.5Å; W191-Y195 HydrophobicContact CE3-CD1 4.35Å; W191-Y195 AromaticContact CE3-CE1 3.41Å; W191-Y195 HydrophobicContact CE3-CE1 3.41Å; W191-Y195 VanDerWaalsContact CE3-CE1 3.41Å; W191-Y195 HydrophobicContact CE3-CE2 4.34Å; W191-Y195 AromaticContact CE3-CZ 3.39Å; W191-Y195 AromaticContact CZ3-CE1 3.82Å; W191-Y195 HydrophobicContact CZ3-CE1 3.82Å; W191-Y195 WeakPolarHBondContact O-CD2 3.49Å; W191-Y195 VanDerWaalsContact O-CG 3.23Å; W191-Y195 PolarHBondContact O-N 3.46Å; L192-Y195 PolarHBondContact O-N 3.21Å; Y195-E197 VanDerWaalsContact C-N 3.31Å; Y195-E197 PolarHBondContact O-N 3.28Å; Y195-N198 PolarHBondContact O-N 2.91Å; Y195-G199 WeakPolarHBondContact O-CA 3.36Å; Y195-G199 PolarHBondContact O-N 2.85Å; Y195-L203 WeakPolarHBondContact O-CD1 3.31Å
196	L	96.7	Very high	95.9	Very high	12 Å²	12	60.6 Å²	60.6	6%	0.063	28%	0.283	C	S	.	.	H	α-helix	trans	-62.5	-36.9	174.6	-71.9	169.4	0	0	0	112.4	H27 V52 V127 L192 R193 K200 L203 Q204	H27-L196 HydrophobicContact CB-CD1 3.66Å; H27-L196 HydrophobicContact CB-CD2 4Å; H27-L196 HydrophobicContact CB-CG 4.41Å; H27-L196 WeakPolarHBondContact ND1-CD2 3.35Å; V52-L196 HydrophobicContact CG1-CD2 4.03Å; V127-L196 HydrophobicContact CG2-CD1 4.43Å; L192-L196 HydrophobicContact CD1-CD1 3.87Å; L192-L196 HydrophobicContact CD1-CD2 4.43Å; L192-L196 HydrophobicContact CD1-CG 3.88Å; L192-L196 HydrophobicContact CG-CD1 4Å; L192-L196 HydrophobicContact CG-CG 4.47Å; L192-L196 WeakPolarHBondContact O-CB 3.49Å; L192-L196 VanDerWaalsContact O-CG 3.27Å; L192-L196 WeakPolarHBondContact O-CG 3.49Å; L192-L196 PolarHBondContact O-N 3.33Å; R193-L196 PolarHBondContact O-N 3.45Å; L196-K200 WeakPolarHBondContact O-CA 3.31Å; L196-K200 WeakPolarHBondContact O-CB 3.36Å; L196-K200 PolarHBondContact O-N 3.46Å; L196-L203 HydrophobicContact CD2-CB 4.11Å; L196-L203 HydrophobicContact CD2-CD1 4.33Å; L196-Q204 PolarHBondContact O-NE2 2.8Å
197	E	96.4	Very high	95.8	Very high	119 Å²	119	62 Å²	62	56%	0.556	29%	0.285	S	S	*	.	H	α-helix	trans	-72	-48.3	175.1	-171.7	57.4	-148	0	0	111.3	R193 R194 Y195 G199 K200	R193-E197 PolarHBondContact O-N 3.49Å; R194-E197 PolarHBondContact O-N 2.92Å; Y195-E197 VanDerWaalsContact C-N 3.31Å; Y195-E197 PolarHBondContact O-N 3.28Å; E197-G199 VanDerWaalsContact C-N 3.32Å; E197-G199 PolarHBondContact O-N 3.13Å; E197-K200 WeakPolarHBondContact O-CB 3.44Å; E197-K200 PolarHBondContact O-N 2.86Å
198	N	96.9	Very high	95.7	Very high	55 Å²	55	61.6 Å²	61.6	29%	0.294	29%	0.287	S	S	.	.	H	α-helix	trans	-58.4	-42.7	178	-77.9	-1.2	0	0	0	112.7	Q78 E79 R194 Y195	Q78-N198 PolarHBondContact NE2-ND2 3.06Å; Q78-N198 PolarHBondContact NE2-OD1 2.88Å; E79-N198 PolarHBondContact OE1-ND2 2.86Å; R194-N198 VanDerWaalsContact O-CB 3.27Å; R194-N198 WeakPolarHBondContact O-CB 3.04Å; R194-N198 PolarHBondContact O-N 2.8Å; R194-N198 PolarHBondContact O-OD1 2.86Å; Y195-N198 PolarHBondContact O-N 2.91Å
199	G	95.8	Very high	95.7	Very high	3 Å²	3	62 Å²	62	3%	0.031	29%	0.29	C	S	.	.	T	Hydrogen-bonded Turn	trans	-99.3	14.7	-177	0	0	0	0	0	114	Y195 E197 K201 T202 L203	Y195-G199 WeakPolarHBondContact O-CA 3.36Å; Y195-G199 PolarHBondContact O-N 2.85Å; E197-G199 VanDerWaalsContact C-N 3.32Å; E197-G199 PolarHBondContact O-N 3.13Å; G199-K201 VanDerWaalsContact C-N 3.26Å; G199-K201 PolarHBondContact O-N 2.97Å; G199-T202 WeakPolarHBondContact O-CA 3.44Å; G199-T202 PolarHBondContact O-N 2.71Å; G199-L203 PolarHBondContact O-N 2.61Å
200	K	93.8	Very high	95.6	Very high	104 Å²	104	68.7 Å²	68.7	45%	0.452	32%	0.318	S	S	.	.	H	α-helix	trans	-47.8	-43.1	-170.1	-175.9	171.1	-170.9	166.4	0	114.7	L196 E197 T202 Q204	L196-K200 WeakPolarHBondContact O-CA 3.31Å; L196-K200 WeakPolarHBondContact O-CB 3.36Å; L196-K200 PolarHBondContact O-N 3.46Å; E197-K200 WeakPolarHBondContact O-CB 3.44Å; E197-K200 PolarHBondContact O-N 2.86Å; K200-T202 PolarHBondContact O-N 3.34Å; K200-Q204 WeakPolarHBondContact O-CB 3.46Å; K200-Q204 PolarHBondContact O-N 2.88Å
201	K	92.3	Very high	95.6	Very high	195 Å²	195	64.4 Å²	64.4	85%	0.848	30%	0.301	S	S	*	.	H	α-helix	trans	-65.2	-21.5	179.6	-67.4	-176.9	179.6	177.6	0	114	G199	G199-K201 VanDerWaalsContact C-N 3.26Å; G199-K201 PolarHBondContact O-N 2.97Å
202	T	91.8	Very high	95.4	Very high	47 Å²	47	65 Å²	65	29%	0.288	31%	0.307	S	S	.	.	H	α-helix	trans	-109	-44.3	-176.9	-53.3	0	0	0	0	111.7	G199 K200 R205	G199-T202 WeakPolarHBondContact O-CA 3.44Å; G199-T202 PolarHBondContact O-N 2.71Å; K200-T202 PolarHBondContact O-N 3.34Å; T202-R205 VanDerWaalsContact O-CG 3.28Å; T202-R205 WeakPolarHBondContact O-CG 3.36Å
203	L	92.7	Very high	95.3	Very high	4 Å²	4	66.7 Å²	66.7	2%	0.021	32%	0.315	C	S	.	.	H	α-helix	trans	-82.8	-28.1	-174	-61.8	172.6	0	0	0	113.2	V52 T55 W75 Y195 L196 G199	V52-L203 HydrophobicContact CB-CD1 4.23Å; V52-L203 HydrophobicContact CB-CD2 4.1Å; V52-L203 HydrophobicContact CG1-CD1 3.89Å; V52-L203 HydrophobicContact CG1-CD2 4.09Å; V52-L203 HydrophobicContact CG1-CG 4.49Å; T55-L203 HydrophobicContact CG2-CD2 4.07Å; W75-L203 HydrophobicContact CD2-CD1 4.47Å; W75-L203 HydrophobicContact CH2-CD1 4.3Å; W75-L203 HydrophobicContact CZ2-CD1 3.83Å; W75-L203 HydrophobicContact CZ2-CD2 4.09Å; W75-L203 HydrophobicContact CZ2-CG 4.36Å; Y195-L203 WeakPolarHBondContact O-CD1 3.31Å; L196-L203 HydrophobicContact CD2-CB 4.11Å; L196-L203 HydrophobicContact CD2-CD1 4.33Å; G199-L203 PolarHBondContact O-N 2.61Å
204	Q	90.6	Very high	95.1	Very high	85 Å²	85	62.7 Å²	62.7	40%	0.397	30%	0.303	S	S	.	.	T	Hydrogen-bonded Turn	trans	-105.2	19.2	176.8	-57.3	177.3	26.5	0	0	111.6	L196 K200	L196-Q204 PolarHBondContact O-NE2 2.8Å; K200-Q204 WeakPolarHBondContact O-CB 3.46Å; K200-Q204 PolarHBondContact O-N 2.88Å
205	R	92.3	Very high	95	Very high	75 Å²	75	59.8 Å²	59.8	28%	0.283	30%	0.295	S	S	.	.			trans	-84.3	153.1	171.3	85.8	-173.7	169.8	-172	1.3	108.8	T202 D207 Y233	T202-R205 VanDerWaalsContact O-CG 3.28Å; T202-R205 WeakPolarHBondContact O-CG 3.36Å; R205-D207 WeakPolarHBondContact CD-OD2 3.33Å; R205-D207 IonicContact CZ-OD2 3.97Å; R205-D207 IonicContact NE-OD2 3.62Å; R205-D207 PolarHBondContact NE-OD2 2.97Å; R205-Y233 HydrophobicContact CG-CD1 3.81Å; R205-Y233 HydrophobicContact CG-CE1 4.21Å; R205-Y233 VanDerWaalsContact O-CD1 3.28Å; R205-Y233 WeakPolarHBondContact O-CD1 3.48Å; R205-Y233 WeakPolarHBondContact O-CE1 3.39Å
206	T	93.1	Very high	94.7	Very high	56 Å²	56	64 Å²	64	34%	0.344	31%	0.314	S	S	.	.			trans	-132.2	117.4	170.4	-34.3	0	0	0	0	108	Y233 E288	T206-Y233 WeakPolarHBondContact CA-O 3.46Å; T206-Y233 WeakPolarHBondContact CG2-O 3.3Å; T206-E288 HydrophobicContact CG2-CB 3.88Å; T206-E288 HydrophobicContact CG2-CG 4.05Å
207	D	95.4	Very high	94.4	Very high	54 Å²	54	67.1 Å²	67.1	29%	0.289	34%	0.342	S	S	.	.	B	Isolated β-bridge	trans	-104.8	113.2	-179.4	-62.8	-37.8	0	0	0	108	R205 F232 Y233 H287	R205-D207 WeakPolarHBondContact CD-OD2 3.33Å; R205-D207 IonicContact CZ-OD2 3.97Å; R205-D207 IonicContact NE-OD2 3.62Å; R205-D207 PolarHBondContact NE-OD2 2.97Å; D207-F232 VanDerWaalsContact O-CA 3.22Å; D207-F232 WeakPolarHBondContact O-CA 3.37Å; D207-F232 WeakPolarHBondContact O-CB 3.35Å; D207-Y233 PolarHBondContact N-O 2.84Å; D207-Y233 PolarHBondContact O-N 3.18Å; D207-Y233 VanDerWaalsContact O-N 3.1Å; D207-H287 PolarHBondContact O-CE1 2.94Å; D207-H287 VanDerWaalsContact O-CE1 3.29Å
208	A	97.2	Very high	94	Very high	47 Å²	47	66 Å²	66	39%	0.388	34%	0.343	S	S	.	.			trans	-65.7	141.8	-179.5	0	0	0	0	0	111.6	K210 G289 L290	A208-K210 PolarHBondContact O-N 3.25Å; A208-G289 WeakPolarHBondContact CB-O 3.31Å; A208-L290 HydrophobicContact CB-CD2 4Å
209	P	97.9	Very high	93.6	Very high	9 Å²	9	65.8 Å²	65.8	6%	0.058	35%	0.346	C	S	.	.			trans	-63.8	131.8	178.7	26.2	-34.5	0	0	0	112.1	T211 A229 F232 I237 V285 H287 L290	P209-T211 HydrophobicContact CB-CG2 4.11Å; P209-T211 HydrophobicContact CG-CG2 4.31Å; P209-T211 PolarHBondContact O-N 3.42Å; P209-A229 HydrophobicContact CB-CB 3.89Å; P209-F232 HydrophobicContact CB-CB 3.85Å; P209-F232 HydrophobicContact CB-CD1 3.97Å; P209-F232 HydrophobicContact CB-CG 4.17Å; P209-I237 HydrophobicContact CB-CD1 4.05Å; P209-I237 HydrophobicContact CG-CD1 4.11Å; P209-V285 HydrophobicContact CG-CG1 3.97Å; P209-H287 HydrophobicContact CG-CB 4.02Å; P209-L290 HydrophobicContact CG-CD1 3.86Å; P209-L290 HydrophobicContact CG-CD2 4.37Å; P209-L290 HydrophobicContact CG-CG 4.16Å
210	K	97.8	Very high	93.2	Very high	146 Å²	146	72.9 Å²	72.9	64%	0.635	38%	0.383	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-78.8	106.2	164.9	-65.6	177.2	-174.3	168.8	0	108.1	A208 L230	A208-K210 PolarHBondContact O-N 3.25Å; K210-L230 PolarHBondContact N-O 3.34Å; K210-L230 PolarHBondContact O-N 3.32Å
211	T	97.3	Very high	93.1	Very high	36 Å²	36	74.9 Å²	74.9	22%	0.221	39%	0.394	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-102.4	141	-175	59.6	0	0	0	0	112.6	P209 W228 A229 V285 L294 L296	P209-T211 HydrophobicContact CB-CG2 4.11Å; P209-T211 HydrophobicContact CG-CG2 4.31Å; P209-T211 PolarHBondContact O-N 3.42Å; T211-W228 WeakPolarHBondContact CA-O 3.36Å; T211-A229 HydrophobicContact CG2-CB 4.45Å; T211-V285 HydrophobicContact CG2-CB 4.48Å; T211-V285 HydrophobicContact CG2-CG1 4.24Å; T211-V285 HydrophobicContact CG2-CG2 4.09Å; T211-L294 HydrophobicContact CG2-CD1 4.26Å; T211-L296 VanDerWaalsContact CB-CD1 3.48Å; T211-L296 HydrophobicContact CG2-CD1 4.04Å
212	H	94.7	Very high	93.2	Very high	78 Å²	78	70 Å²	70	36%	0.361	38%	0.375	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-151.6	165.6	169.2	68.5	-78.1	0	0	0	110.4	W228	H212-W228 AromaticContact CD2-CD1 3.92Å; H212-W228 WeakPolarHBondContact CE1-CB 3.32Å; H212-W228 AromaticContact CE1-CD1 3.79Å; H212-W228 AromaticContact CE1-CG 3.49Å; H212-W228 VanDerWaalsContact CE1-CG 3.49Å; H212-W228 PolarHBondContact N-O 3.35Å; H212-W228 AromaticContact NE2-CD1 3.4Å; H212-W228 AromaticContact NE2-CG 3.59Å; H212-W228 AromaticContact NE2-NE1 3.96Å; H212-W228 PolarHBondContact O-N 3.26Å
213	M	95.2	Very high	93.3	Very high	34 Å²	34	67.9 Å²	67.9	17%	0.167	36%	0.361	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-113.4	141.4	175.2	-75.7	-168.5	170.3	0	0	111.3	R226 W241 C283 L296 W298	M213-R226 CarbonylContact C-O 3.55Å; M213-R226 VanDerWaalsContact CA-O 3.3Å; M213-R226 WeakPolarHBondContact CA-O 3.5Å; M213-W241 HydrophobicContact CE-CH2 3.32Å; M213-W241 HydrophobicContact CE-CZ2 4.14Å; M213-W241 HydrophobicContact CE-CZ3 3.73Å; M213-W241 HydrophobicContact SD-CH2 4.02Å; M213-C283 HydrophobicContact CE-CB 3.38Å; M213-L296 VanDerWaalsContact CE-C 3.46Å; M213-L296 HydrophobicContact CE-CB 3.61Å; M213-L296 WeakPolarHBondContact CE-O 3.26Å; M213-L296 HydrophobicContact SD-CB 4.48Å; M213-W298 VanDerWaalsContact SD-CA 3.51Å; M213-W298 HydrophobicContact SD-CB 3.89Å; M213-W298 PolarHBondContact SD-N 2.9Å
214	T	94.6	Very high	93.5	Very high	34 Å²	34	68.7 Å²	68.7	21%	0.209	37%	0.367	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-116.1	145.6	166.6	68.2	0	0	0	0	109.9	H216 R226 W228	T214-H216 PolarHBondContact OG1-NE2 2.82Å; T214-H216 VanDerWaalsContact OG1-NE2 3.09Å; T214-R226 PolarHBondContact N-O 2.94Å; T214-R226 PolarHBondContact O-N 2.99Å; T214-W228 PolarHBondContact OG1-NE1 2.91Å
215	H	94.3	Very high	93.8	Very high	62 Å²	62	64.7 Å²	64.7	29%	0.287	35%	0.348	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-120.6	128.6	177.2	165.4	-78.3	0	0	0	108.4	A223 L225 W298	H215-A223 WeakPolarHBondContact NE2-CB 3.26Å; H215-L225 HydrophobicContact CB-CD2 4.03Å; H215-W298 HydrophobicContact CB-CD2 4.45Å; H215-W298 HydrophobicContact CB-CZ2 4.06Å; H215-W298 VanDerWaalsContact CB-NE1 3.26Å; H215-W298 AromaticContact CD2-CE2 3.96Å; H215-W298 AromaticContact CD2-CZ2 3.85Å; H215-W298 AromaticContact CG-CE2 3.87Å; H215-W298 AromaticContact CG-CZ2 3.81Å; H215-W298 AromaticContact CG-NE1 3.99Å
216	H	92.7	Very high	94.1	Very high	88 Å²	88	63.6 Å²	63.6	41%	0.407	34%	0.344	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-128.6	113.5	177.8	-59.3	-73.4	0	0	0	109	T214 V218 A223 T224 R226	T214-H216 PolarHBondContact OG1-NE2 2.82Å; T214-H216 VanDerWaalsContact OG1-NE2 3.09Å; H216-V218 PolarHBondContact O-N 3.41Å; H216-A223 CarbonylContact O-C 3.5Å; H216-A223 WeakPolarHBondContact O-CA 3.26Å; H216-T224 PolarHBondContact N-O 3.37Å; H216-T224 PolarHBondContact O-N 3.4Å; H216-R226 PolarHBondContact NE2-NH1 2.86Å
217	A	90.8	Very high	94.3	Very high	79 Å²	79	60.9 Å²	60.9	65%	0.653	33%	0.327	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-66.4	125.6	172.5	0	0	0	0	0	109.2
218	V	86.8	Confident	94.4	Very high	94 Å²	94	60.5 Å²	60.5	57%	0.57	32%	0.322	S	S	*	.			trans	-97	-40.3	177.5	-179.5	0	0	0	0	109.7	H216 E222 T224	H216-V218 PolarHBondContact O-N 3.41Å; V218-E222 PolarHBondContact N-O 2.91Å; V218-T224 VanDerWaalsContact CG2-OG1 3.27Å; V218-T224 WeakPolarHBondContact CG2-OG1 3.41Å
219	S	89.2	Confident	94.5	Very high	52 Å²	52	58.2 Å²	58.2	36%	0.364	30%	0.303	S	S	.	.	S	Bend	trans	-148.2	-179.3	173.7	71.4	0	0	0	0	110.3	H221 E222	S219-H221 PolarHBondContact O-N 3.33Å; S219-H221 PolarHBondContact OG-N 3.05Å; S219-H221 VanDerWaalsContact OG-N 3.17Å; S219-E222 PolarHBondContact N-O 3.49Å; S219-E222 PolarHBondContact O-N 3.24Å; S219-E222 VanDerWaalsContact O-O 3.06Å; S219-E222 PolarHBondContact OG-N 3.5Å
220	D	86.9	Confident	94.5	Very high	151 Å²	151	60 Å²	60	81%	0.807	31%	0.312	S	S	*	.	S	Bend	trans	-62.8	-20.2	172.4	-65.9	-21.7	0	0	0	112.5	S275	D220-S275 PolarHBondContact O-OG 3.14Å
221	H	91.4	Very high	94.5	Very high	146 Å²	146	55.1 Å²	55.1	68%	0.676	30%	0.296	S	S	*	.	S	Bend	trans	-105.6	-15.7	-175	-56.3	-46	0	0	0	114	S219 P274 S275	S219-H221 PolarHBondContact O-N 3.33Å; S219-H221 PolarHBondContact OG-N 3.05Å; S219-H221 VanDerWaalsContact OG-N 3.17Å; H221-P274 CarbonylContact O-C 3.52Å; H221-P274 WeakPolarHBondContact O-CA 3.29Å; H221-S275 PolarHBondContact O-N 2.79Å; H221-S275 PolarHBondContact O-OG 3.01Å
222	E	94.1	Very high	94.5	Very high	94 Å²	94	53.4 Å²	53.4	44%	0.439	29%	0.286	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-142.6	143.7	-172.4	-66.3	-178.8	169.6	0	0	112.7	V218 S219 V272 V273 S275	V218-E222 PolarHBondContact N-O 2.91Å; S219-E222 PolarHBondContact N-O 3.49Å; S219-E222 PolarHBondContact O-N 3.24Å; S219-E222 VanDerWaalsContact O-O 3.06Å; S219-E222 PolarHBondContact OG-N 3.5Å; E222-V272 HydrophobicContact CB-CG1 4.09Å; E222-V272 HydrophobicContact CG-CG1 4.29Å; E222-V273 WeakPolarHBondContact CA-O 3.38Å; E222-S275 PolarHBondContact N-OG 3.44Å
223	A	94.6	Very high	94.5	Very high	1 Å²	1	49.9 Å²	49.9	1%	0.008	27%	0.269	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-130.1	153.4	171.1	0	0	0	0	0	110.7	H215 H216 V273	H215-A223 WeakPolarHBondContact NE2-CB 3.26Å; H216-A223 CarbonylContact O-C 3.5Å; H216-A223 WeakPolarHBondContact O-CA 3.26Å; A223-V273 HydrophobicContact CB-CG2 4.32Å; A223-V273 PolarHBondContact N-O 3.04Å; A223-V273 WeakPolarHBondContact O-CG2 3.47Å; A223-V273 PolarHBondContact O-N 2.86Å
224	T	96.6	Very high	94.5	Very high	22 Å²	22	49.2 Å²	49.2	14%	0.135	27%	0.267	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-97.4	121.4	168.4	-54.7	0	0	0	0	109.1	H216 V218 V271	H216-T224 PolarHBondContact N-O 3.37Å; H216-T224 PolarHBondContact O-N 3.4Å; V218-T224 VanDerWaalsContact CG2-OG1 3.27Å; V218-T224 WeakPolarHBondContact CG2-OG1 3.41Å; T224-V271 WeakPolarHBondContact CA-O 3.44Å
225	L	97.2	Very high	94.6	Very high	0 Å²	0	48.2 Å²	48.2	0%	0	26%	0.263	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-93.5	129.8	165.5	-63.5	-177.9	0	0	0	108.8	H215 W241 S270 V271 V273 E278 W298	H215-L225 HydrophobicContact CB-CD2 4.03Å; L225-W241 HydrophobicContact CB-CH2 3.59Å; L225-W241 HydrophobicContact CB-CZ2 3.86Å; L225-W241 HydrophobicContact CB-CZ3 4.41Å; L225-W241 HydrophobicContact CD1-CH2 4.04Å; L225-W241 HydrophobicContact CD1-CZ3 4.2Å; L225-W241 HydrophobicContact CG-CH2 4.48Å; L225-S270 CarbonylContact O-C 3.6Å; L225-S270 WeakPolarHBondContact O-CA 3.34Å; L225-S270 WeakPolarHBondContact O-CB 3.44Å; L225-V271 HydrophobicContact CB-CG1 4.33Å; L225-V271 PolarHBondContact N-O 2.82Å; L225-V271 PolarHBondContact O-N 3.32Å; L225-V273 HydrophobicContact CD1-CG1 3.99Å; L225-V273 HydrophobicContact CD1-CG2 4.05Å; L225-V273 HydrophobicContact CG-CG1 4.18Å; L225-V273 HydrophobicContact CG-CG2 3.86Å; L225-E278 HydrophobicContact CD1-CB 4.06Å; L225-E278 HydrophobicContact CD1-CG 4.44Å; L225-E278 HydrophobicContact CD2-CB 4.46Å; L225-E278 HydrophobicContact CD2-CG 4.26Å; L225-W298 HydrophobicContact CD1-CB 4.37Å; L225-W298 HydrophobicContact CD2-CB 3.95Å; L225-W298 HydrophobicContact CD2-CD2 4.32Å; L225-W298 HydrophobicContact CD2-CG 3.88Å
226	R	97.6	Very high	94.6	Very high	52 Å²	52	50.9 Å²	50.9	20%	0.196	28%	0.275	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-122.7	123.6	175.4	-173.1	178.2	-66.2	118.6	-0.2	110.4	M213 T214 H216 W228 W268 A269	M213-R226 CarbonylContact C-O 3.55Å; M213-R226 VanDerWaalsContact CA-O 3.3Å; M213-R226 WeakPolarHBondContact CA-O 3.5Å; T214-R226 PolarHBondContact N-O 2.94Å; T214-R226 PolarHBondContact O-N 2.99Å; H216-R226 PolarHBondContact NE2-NH1 2.86Å; R226-W228 HydrophobicContact CG-CZ2 4.43Å; R226-W268 HydrophobicContact CG-CB 4.03Å; R226-W268 HydrophobicContact CG-CD2 4.19Å; R226-W268 HydrophobicContact CG-CE3 3.96Å; R226-W268 HydrophobicContact CG-CG 4.28Å; R226-A269 WeakPolarHBondContact CA-O 3.43Å
227	C	97.8	Very high	94.8	Very high	0 Å²	0	47.1 Å²	47.1	0%	0	26%	0.258	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-96.3	121	175	-174.9	0	0	0	0	109	W241 W268 A269 C283	C227-W241 HydrophobicContact CB-CZ2 3.7Å; C227-W268 CarbonylContact O-C 3.59Å; C227-W268 WeakPolarHBondContact O-CA 3.23Å; C227-W268 VanDerWaalsContact O-CB 3.26Å; C227-W268 WeakPolarHBondContact O-CB 3.16Å; C227-A269 PolarHBondContact N-O 2.72Å; C227-A269 PolarHBondContact O-N 2.77Å; C227-C283 HydrophobicContact CB-CB 3.5Å; C227-C283 WeakPolarHBondContact CB-SG 3.44Å; C227-C283 WeakPolarHBondContact SG-CB 3.43Å; C227-C283 CovalentContact SG-SG 2.03Å; C227-C283 PolarHBondContact SG-SG 2.79Å
228	W	98.2	Very high	95.1	Very high	45 Å²	45	45.5 Å²	45.5	17%	0.17	24%	0.24	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-104.1	140.5	179.6	-68.5	88.2	0	0	0	110.4	T211 H212 T214 R226 L230 W268	T211-W228 WeakPolarHBondContact CA-O 3.36Å; H212-W228 AromaticContact CD2-CD1 3.92Å; H212-W228 WeakPolarHBondContact CE1-CB 3.32Å; H212-W228 AromaticContact CE1-CD1 3.79Å; H212-W228 AromaticContact CE1-CG 3.49Å; H212-W228 VanDerWaalsContact CE1-CG 3.49Å; H212-W228 PolarHBondContact N-O 3.35Å; H212-W228 AromaticContact NE2-CD1 3.4Å; H212-W228 AromaticContact NE2-CG 3.59Å; H212-W228 AromaticContact NE2-NE1 3.96Å; H212-W228 PolarHBondContact O-N 3.26Å; T214-W228 PolarHBondContact OG1-NE1 2.91Å; R226-W228 HydrophobicContact CG-CZ2 4.43Å; W228-L230 HydrophobicContact CE3-CD2 3.94Å; W228-W268 HydrophobicContact CD2-CB 3.94Å; W228-W268 HydrophobicContact CD2-CG 4.43Å; W228-W268 HydrophobicContact CE3-CB 3.83Å; W228-W268 AromaticContact CE3-CD1 3.82Å; W228-W268 HydrophobicContact CE3-CG 4.12Å; W228-W268 HydrophobicContact CG-CB 4.36Å; W228-W268 AromaticContact CH2-CD1 3.64Å; W228-W268 HydrophobicContact CH2-CG 4.25Å; W228-W268 HydrophobicContact CZ3-CB 4.26Å; W228-W268 AromaticContact CZ3-CD1 3.35Å; W228-W268 HydrophobicContact CZ3-CG 4.04Å
229	A	98.4	Very high	95.6	Very high	0 Å²	0	41.3 Å²	41.3	0%	0	21%	0.214	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-123.7	121.1	163	0	0	0	0	0	107.8	P209 T211 F232 I237 L239 Q266 K267	P209-A229 HydrophobicContact CB-CB 3.89Å; T211-A229 HydrophobicContact CG2-CB 4.45Å; A229-F232 HydrophobicContact CB-CD1 4.1Å; A229-F232 HydrophobicContact CB-CE1 3.88Å; A229-F232 WeakPolarHBondContact O-CE1 3.48Å; A229-I237 HydrophobicContact CB-CD1 3.68Å; A229-L239 HydrophobicContact CB-CD1 4.03Å; A229-L239 HydrophobicContact CB-CD2 4.2Å; A229-Q266 VanDerWaalsContact O-CA 3.3Å; A229-Q266 WeakPolarHBondContact O-CA 3.24Å; A229-K267 PolarHBondContact N-O 3.18Å; A229-K267 PolarHBondContact O-N 3.14Å; A229-K267 VanDerWaalsContact O-O 3.07Å
230	L	98.1	Very high	96	Very high	47 Å²	47	40.9 Å²	40.9	25%	0.246	21%	0.21	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-126.9	155.1	-175.4	-58.9	179.5	0	0	0	111.2	K210 W228 F232 Q266	K210-L230 PolarHBondContact N-O 3.34Å; K210-L230 PolarHBondContact O-N 3.32Å; W228-L230 HydrophobicContact CE3-CD2 3.94Å; L230-F232 VanDerWaalsContact C-N 3.31Å; L230-F232 PolarHBondContact O-N 3.02Å; L230-Q266 HydrophobicContact CD2-CB 3.56Å
231	S	97.3	Very high	96.5	Very high	43 Å²	43	33.8 Å²	33.8	30%	0.301	17%	0.172	S	C	.	.	E	Extended strand (participates in β ladder)	trans	55.3	41.3	170.6	-55.2	0	0	0	0	114.2	T264 F265	S231-T264 WeakPolarHBondContact CA-OG1 3.37Å; S231-F265 PolarHBondContact N-O 3.49Å
232	F	97.4	Very high	96.8	Very high	0 Å²	0	28.8 Å²	28.8	0%	0	15%	0.149	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-106.6	156.9	177.3	59.9	-90.6	0	0	0	112.6	D207 P209 A229 L230 P234 I237 T257 T264 F265 K267 H287	D207-F232 VanDerWaalsContact O-CA 3.22Å; D207-F232 WeakPolarHBondContact O-CA 3.37Å; D207-F232 WeakPolarHBondContact O-CB 3.35Å; P209-F232 HydrophobicContact CB-CB 3.85Å; P209-F232 HydrophobicContact CB-CD1 3.97Å; P209-F232 HydrophobicContact CB-CG 4.17Å; A229-F232 HydrophobicContact CB-CD1 4.1Å; A229-F232 HydrophobicContact CB-CE1 3.88Å; A229-F232 WeakPolarHBondContact O-CE1 3.48Å; L230-F232 VanDerWaalsContact C-N 3.31Å; L230-F232 PolarHBondContact O-N 3.02Å; F232-P234 VanDerWaalsContact CD2-O 3.32Å; F232-P234 WeakPolarHBondContact CD2-O 3.45Å; F232-I237 HydrophobicContact CD1-CD1 3.9Å; F232-I237 HydrophobicContact CD2-CB 4.3Å; F232-I237 HydrophobicContact CD2-CD1 4Å; F232-I237 HydrophobicContact CE1-CD1 3.78Å; F232-I237 HydrophobicContact CE1-CG2 4.41Å; F232-I237 HydrophobicContact CE2-CB 3.74Å; F232-I237 HydrophobicContact CE2-CD1 3.92Å; F232-I237 HydrophobicContact CE2-CG1 4.41Å; F232-I237 HydrophobicContact CE2-CG2 3.59Å; F232-I237 HydrophobicContact CG-CD1 4.01Å; F232-I237 HydrophobicContact CZ-CB 4.09Å; F232-I237 HydrophobicContact CZ-CD1 3.83Å; F232-I237 HydrophobicContact CZ-CG2 3.51Å; F232-T257 HydrophobicContact CE2-CG2 4.11Å; F232-T257 HydrophobicContact CZ-CG2 3.89Å; F232-T264 CarbonylContact O-C 3.53Å; F232-T264 WeakPolarHBondContact O-CA 3.4Å; F232-F265 VanDerWaalsContact CD1-O 3.3Å; F232-F265 WeakPolarHBondContact CD1-O 3.27Å; F232-F265 HydrophobicContact CD2-CB 3.93Å; F232-F265 HydrophobicContact CE1-CB 4.26Å; F232-F265 WeakPolarHBondContact CE1-O 3.15Å; F232-F265 HydrophobicContact CE2-CB 3.47Å; F232-F265 VanDerWaalsContact CE2-CB 3.47Å; F232-F265 HydrophobicContact CE2-CG 4.47Å; F232-F265 HydrophobicContact CG-CB 4.47Å; F232-F265 HydrophobicContact CZ-CB 3.64Å; F232-F265 PolarHBondContact N-O 2.92Å; F232-F265 PolarHBondContact O-N 3.4Å; F232-K267 HydrophobicContact CE1-CB 4.34Å; F232-K267 HydrophobicContact CZ-CB 4.12Å; F232-H287 AromaticContact CD2-CD2 3.83Å; F232-H287 AromaticContact CD2-NE2 3.65Å
233	Y	95.7	Very high	96.9	Very high	3 Å²	3	28.2 Å²	28.2	1%	0.012	14%	0.142	C	C	.	.	B	Isolated β-bridge	trans	-152.5	134.9	173.9	178.4	-86.6	0	0	0	109.1	D54 T55 R205 T206 D207 G263 F265 H287	D54-Y233 HydrophobicContact CB-CE2 4.24Å; T55-Y233 PolarHBondContact OG1-OH 2.87Å; R205-Y233 HydrophobicContact CG-CD1 3.81Å; R205-Y233 HydrophobicContact CG-CE1 4.21Å; R205-Y233 VanDerWaalsContact O-CD1 3.28Å; R205-Y233 WeakPolarHBondContact O-CD1 3.48Å; R205-Y233 WeakPolarHBondContact O-CE1 3.39Å; T206-Y233 WeakPolarHBondContact CA-O 3.46Å; T206-Y233 WeakPolarHBondContact CG2-O 3.3Å; D207-Y233 PolarHBondContact N-O 2.84Å; D207-Y233 PolarHBondContact O-N 3.18Å; D207-Y233 VanDerWaalsContact O-N 3.1Å; Y233-G263 WeakPolarHBondContact CD2-O 3.37Å; Y233-F265 HydrophobicContact CD2-CD2 4.4Å; Y233-F265 AromaticContact CD2-CE2 3.96Å; Y233-F265 HydrophobicContact CD2-CE2 3.96Å; Y233-F265 HydrophobicContact CE2-CE2 4.41Å; Y233-H287 PolarHBondContact O-CE1 3.37Å; Y233-H287 VanDerWaalsContact O-CE1 3.23Å
234	P	94.7	Very high	96.9	Very high	21 Å²	21	32.8 Å²	32.8	14%	0.136	17%	0.167	C	C	.	.	S	Bend	cis	-74.2	179.6	4.4	31.8	-37.1	0	0	0	113.5	D54 F232 E236 H287	D54-P234 WeakPolarHBondContact OD2-CB 3.33Å; F232-P234 VanDerWaalsContact CD2-O 3.32Å; F232-P234 WeakPolarHBondContact CD2-O 3.45Å; P234-E236 VanDerWaalsContact C-N 3.33Å; P234-E236 PolarHBondContact O-N 3.48Å; P234-H287 PolarHBondContact O-NE2 3.01Å
235	A	96.1	Very high	96.7	Very high	13 Å²	13	34 Å²	34	11%	0.107	18%	0.184	C	C	.	.	S	Bend	trans	-70.5	-26.7	-174.9	0	0	0	0	0	113.9	D54 I237 T257 F265	D54-A235 HydrophobicContact CB-CB 4.26Å; D54-A235 VanDerWaalsContact OD2-CB 3.31Å; D54-A235 WeakPolarHBondContact OD2-CB 3.39Å; D54-A235 PolarHBondContact OD2-N 3.19Å; A235-I237 PolarHBondContact O-N 2.89Å; A235-T257 HydrophobicContact CB-CG2 4.3Å; A235-T257 WeakPolarHBondContact O-CG2 3.45Å; A235-F265 HydrophobicContact CB-CD1 3.69Å; A235-F265 HydrophobicContact CB-CD2 3.68Å; A235-F265 HydrophobicContact CB-CE1 3.67Å; A235-F265 HydrophobicContact CB-CE2 3.67Å; A235-F265 HydrophobicContact CB-CG 3.71Å; A235-F265 HydrophobicContact CB-CZ 3.7Å
236	E	95.4	Very high	96.6	Very high	118 Å²	118	40.2 Å²	40.2	55%	0.551	21%	0.213	S	C	*	.			trans	-62.3	119.9	178.2	-170.1	56.4	-141.8	0	0	109.5	W23 P234 H287	W23-E236 HydrophobicContact CE3-CG 4.36Å; W23-E236 HydrophobicContact CH2-CB 4.44Å; W23-E236 HydrophobicContact CH2-CG 3.62Å; W23-E236 HydrophobicContact CZ2-CG 3.99Å; W23-E236 HydrophobicContact CZ3-CB 4.24Å; W23-E236 HydrophobicContact CZ3-CG 3.82Å; W23-E236 VanDerWaalsContact CZ3-O 3.29Å; W23-E236 WeakPolarHBondContact CZ3-O 3.37Å; P234-E236 VanDerWaalsContact C-N 3.33Å; P234-E236 PolarHBondContact O-N 3.48Å; E236-H287 PolarHBondContact O-CD2 3.32Å
237	I	96.4	Very high	96.5	Very high	9 Å²	9	42.3 Å²	42.3	5%	0.046	23%	0.228	C	C	.	.			trans	-155.9	142.1	-178.5	-164.6	171.1	0	0	0	109.1	P209 A229 F232 A235 L239 K267 V285 Q286 H287	P209-I237 HydrophobicContact CB-CD1 4.05Å; P209-I237 HydrophobicContact CG-CD1 4.11Å; A229-I237 HydrophobicContact CB-CD1 3.68Å; F232-I237 HydrophobicContact CD1-CD1 3.9Å; F232-I237 HydrophobicContact CD2-CB 4.3Å; F232-I237 HydrophobicContact CD2-CD1 4Å; F232-I237 HydrophobicContact CE1-CD1 3.78Å; F232-I237 HydrophobicContact CE1-CG2 4.41Å; F232-I237 HydrophobicContact CE2-CB 3.74Å; F232-I237 HydrophobicContact CE2-CD1 3.92Å; F232-I237 HydrophobicContact CE2-CG1 4.41Å; F232-I237 HydrophobicContact CE2-CG2 3.59Å; F232-I237 HydrophobicContact CG-CD1 4.01Å; F232-I237 HydrophobicContact CZ-CB 4.09Å; F232-I237 HydrophobicContact CZ-CD1 3.83Å; F232-I237 HydrophobicContact CZ-CG2 3.51Å; A235-I237 PolarHBondContact O-N 2.89Å; I237-L239 HydrophobicContact CD1-CD1 3.66Å; I237-L239 HydrophobicContact CG1-CD1 3.67Å; I237-L239 HydrophobicContact CG2-CD1 4.16Å; I237-K267 HydrophobicContact CG2-CB 4.22Å; I237-K267 HydrophobicContact CG2-CD 3.56Å; I237-V285 HydrophobicContact CD1-CG1 4.01Å; I237-V285 HydrophobicContact CG1-CG1 4.35Å; I237-Q286 VanDerWaalsContact CG1-O 3.3Å; I237-Q286 WeakPolarHBondContact CG1-O 3.41Å; I237-H287 HydrophobicContact CD1-CB 4.31Å; I237-H287 HydrophobicContact CG1-CB 4.07Å
238	T	97.1	Very high	96.3	Very high	45 Å²	45	42.9 Å²	42.9	28%	0.276	23%	0.231	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-114.3	123.4	174.4	-61.8	0	0	0	0	110.2	T240 V285 Q286	T238-T240 HydrophobicContact CG2-CG2 3.98Å; T238-V285 WeakPolarHBondContact O-CA 3.07Å; T238-Q286 PolarHBondContact N-O 3.38Å; T238-Q286 PolarHBondContact O-N 3.1Å
239	L	97.6	Very high	96	Very high	6 Å²	6	45.9 Å²	45.9	3%	0.031	25%	0.254	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-117.3	122.1	172.3	-87.4	62.6	0	0	0	108.4	A229 I237 L254 K267 A269 H284 V285	A229-L239 HydrophobicContact CB-CD1 4.03Å; A229-L239 HydrophobicContact CB-CD2 4.2Å; I237-L239 HydrophobicContact CD1-CD1 3.66Å; I237-L239 HydrophobicContact CG1-CD1 3.67Å; I237-L239 HydrophobicContact CG2-CD1 4.16Å; L239-L254 HydrophobicContact CB-CD1 4.1Å; L239-K267 HydrophobicContact CD1-CD 4.3Å; L239-K267 HydrophobicContact CD2-CB 4.39Å; L239-K267 HydrophobicContact CD2-CG 4.43Å; L239-A269 HydrophobicContact CB-CB 4.08Å; L239-A269 HydrophobicContact CD2-CB 4.29Å; L239-H284 WeakPolarHBondContact CA-O 3.47Å; L239-V285 HydrophobicContact CD1-CG1 4.05Å; L239-V285 HydrophobicContact CG-CG2 4.32Å
240	T	97	Very high	95.6	Very high	43 Å²	43	54.9 Å²	54.9	26%	0.264	30%	0.296	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-131.2	148.5	176	58.5	0	0	0	0	111.6	T238 C283 H284	T238-T240 HydrophobicContact CG2-CG2 3.98Å; T240-C283 CarbonylContact O-C 3.6Å; T240-C283 WeakPolarHBondContact O-CA 3.4Å; T240-H284 PolarHBondContact N-O 2.86Å; T240-H284 PolarHBondContact O-N 3.29Å
241	W	97.7	Very high	95.2	Very high	2 Å²	2	57.8 Å²	57.8	1%	0.008	31%	0.311	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-103.8	137.8	170.3	-82.1	102.9	0	0	0	110.2	M213 L225 C227 Q248 A269 V271 T282 C283	M213-W241 HydrophobicContact CE-CH2 3.32Å; M213-W241 HydrophobicContact CE-CZ2 4.14Å; M213-W241 HydrophobicContact CE-CZ3 3.73Å; M213-W241 HydrophobicContact SD-CH2 4.02Å; L225-W241 HydrophobicContact CB-CH2 3.59Å; L225-W241 HydrophobicContact CB-CZ2 3.86Å; L225-W241 HydrophobicContact CB-CZ3 4.41Å; L225-W241 HydrophobicContact CD1-CH2 4.04Å; L225-W241 HydrophobicContact CD1-CZ3 4.2Å; L225-W241 HydrophobicContact CG-CH2 4.48Å; C227-W241 HydrophobicContact CB-CZ2 3.7Å; W241-Q248 HydrophobicContact CB-CB 4.23Å; W241-Q248 PolarHBondContact O-N 3.42Å; W241-A269 PolarHBondContact NE1-O 3.07Å; W241-V271 HydrophobicContact CB-CG1 4.46Å; W241-V271 HydrophobicContact CD2-CB 4.38Å; W241-V271 HydrophobicContact CD2-CG1 3.56Å; W241-V271 HydrophobicContact CE3-CG1 3.86Å; W241-V271 HydrophobicContact CG-CB 4.17Å; W241-V271 HydrophobicContact CG-CG1 3.85Å; W241-V271 HydrophobicContact CH2-CG1 4.44Å; W241-V271 HydrophobicContact CZ2-CG1 4.2Å; W241-V271 HydrophobicContact CZ3-CG1 4.3Å; W241-T282 WeakPolarHBondContact CA-O 3.46Å; W241-T282 VanDerWaalsContact CE3-C 3.47Å; W241-C283 HydrophobicContact CD2-CB 4.22Å; W241-C283 HydrophobicContact CE3-CB 4.18Å; W241-C283 HydrophobicContact CH2-CB 4.1Å; W241-C283 HydrophobicContact CZ2-CB 4.13Å; W241-C283 HydrophobicContact CZ3-CB 4.11Å
242	Q	97.5	Very high	95.1	Very high	41 Å²	41	56.9 Å²	56.9	19%	0.192	30%	0.304	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-123.2	146.4	171.6	-69.4	-174	-7.5	0	0	110.4	E246 D247 Y281 T282 H284	Q242-E246 CarbonylContact C-O 3.49Å; Q242-E246 VanDerWaalsContact CA-O 3.24Å; Q242-E246 WeakPolarHBondContact CA-O 3.14Å; Q242-D247 VanDerWaalsContact CG-OD1 3.22Å; Q242-D247 WeakPolarHBondContact CG-OD1 3.44Å; Q242-D247 PolarHBondContact NE2-OD1 2.89Å; Q242-Y281 CarbonylContact O-C 3.55Å; Q242-Y281 VanDerWaalsContact O-CA 3.25Å; Q242-Y281 WeakPolarHBondContact O-CA 3.36Å; Q242-T282 PolarHBondContact N-O 3.18Å; Q242-T282 PolarHBondContact O-N 2.76Å; Q242-H284 PolarHBondContact OE1-NE2 3Å
243	R	96.9	Very high	95.1	Very high	82 Å²	82	62.4 Å²	62.4	31%	0.309	33%	0.33	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-118	117.1	168.2	-176.9	-178.2	70.6	-168.9	-4.8	108.4	G245 E246 Q248 R280 Y281	R243-G245 PolarHBondContact O-N 3.37Å; R243-E246 PolarHBondContact N-O 2.8Å; R243-E246 PolarHBondContact O-N 3.09Å; R243-Q248 HydrophobicContact CB-CG 3.94Å; R243-R280 WeakPolarHBondContact CA-O 3.45Å; R243-R280 HydrophobicContact CG-CB 4.35Å; R243-Y281 HydrophobicContact CB-CD1 4.08Å; R243-Y281 HydrophobicContact CB-CE1 3.9Å; R243-Y281 WeakPolarHBondContact CD-OH 3.47Å; R243-Y281 HydrophobicContact CG-CD1 4.47Å; R243-Y281 HydrophobicContact CG-CD2 4.41Å; R243-Y281 HydrophobicContact CG-CE1 4.13Å; R243-Y281 HydrophobicContact CG-CE2 4.04Å
244	D	94.6	Very high	95.1	Very high	97 Å²	97	66.4 Å²	66.4	52%	0.519	35%	0.351	S	S	.	.	T	Hydrogen-bonded Turn	trans	50.2	29.9	-174.7	-50.8	-55	0	0	0	114.2	R280	D244-R280 PolarHBondContact N-O 2.8Å; D244-R280 WeakPolarHBondContact OD1-CB 3.46Å; D244-R280 IonicContact OD1-NE 3.28Å; D244-R280 PolarHBondContact OD1-NE 2.97Å; D244-R280 IonicContact OD2-CZ 3.07Å; D244-R280 IonicContact OD2-NE 2.81Å; D244-R280 PolarHBondContact OD2-NE 3.47Å; D244-R280 IonicContact OD2-NH2 2.61Å; D244-R280 PolarHBondContact OD2-NH2 2.98Å
245	G	91.1	Very high	95.2	Very high	48 Å²	48	67 Å²	67	50%	0.495	36%	0.355	S	S	.	.	T	Hydrogen-bonded Turn	trans	90.9	-1.5	-177.7	0	0	0	0	0	115.6	R243	R243-G245 PolarHBondContact O-N 3.37Å
246	E	95.5	Very high	95.2	Very high	129 Å²	129	74.5 Å²	74.5	60%	0.603	39%	0.387	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-96.4	127.6	175.4	-63.4	-175.7	166.7	0	0	111.7	Q242 R243 Q248	Q242-E246 CarbonylContact C-O 3.49Å; Q242-E246 VanDerWaalsContact CA-O 3.24Å; Q242-E246 WeakPolarHBondContact CA-O 3.14Å; R243-E246 PolarHBondContact N-O 2.8Å; R243-E246 PolarHBondContact O-N 3.09Å; E246-Q248 PolarHBondContact O-NE2 3.21Å
247	D	95.4	Very high	95.4	Very high	96 Å²	96	71 Å²	71	51%	0.513	37%	0.374	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-61.5	135.3	179.9	-69	-27.4	0	0	0	112.3	Q242	Q242-D247 VanDerWaalsContact CG-OD1 3.22Å; Q242-D247 WeakPolarHBondContact CG-OD1 3.44Å; Q242-D247 PolarHBondContact NE2-OD1 2.89Å
248	Q	95.1	Very high	95.4	Very high	13 Å²	13	75.2 Å²	75.2	6%	0.061	39%	0.389	C	S	.	.			trans	-107.9	39.3	-177.3	-57.8	-60.2	-71.9	0	0	112	W241 R243 E246 Q250 D251 T252 Y281	W241-Q248 HydrophobicContact CB-CB 4.23Å; W241-Q248 PolarHBondContact O-N 3.42Å; R243-Q248 HydrophobicContact CB-CG 3.94Å; E246-Q248 PolarHBondContact O-NE2 3.21Å; Q248-Q250 VanDerWaalsContact C-N 3.32Å; Q248-Q250 PolarHBondContact O-N 3.13Å; Q248-D251 PolarHBondContact O-N 2.84Å; Q248-T252 WeakPolarHBondContact O-CB 3.28Å; Q248-T252 PolarHBondContact O-N 3.02Å; Q248-T252 VanDerWaalsContact O-N 3.09Å; Q248-T252 PolarHBondContact O-OG1 2.99Å; Q248-Y281 HydrophobicContact CG-CE1 4.34Å
249	T	90.4	Very high	95.4	Very high	107 Å²	107	77.6 Å²	77.6	66%	0.656	41%	0.405	S	S	*	.	T	Hydrogen-bonded Turn	trans	-58.9	-37.2	-169.9	-48.3	0	0	0	0	113.8
250	Q	90.7	Very high	95.3	Very high	190 Å²	190	79.6 Å²	79.6	89%	0.888	42%	0.423	S	S	*	.	T	Hydrogen-bonded Turn	trans	-75.3	-31.6	-178.4	-66.2	-175.2	3.7	0	0	113.1	Q248 T252	Q248-Q250 VanDerWaalsContact C-N 3.32Å; Q248-Q250 PolarHBondContact O-N 3.13Å; Q250-T252 VanDerWaalsContact C-N 3.33Å
251	D	89.6	Confident	95.1	Very high	107 Å²	107	81.3 Å²	81.3	57%	0.572	45%	0.449	S	S	*	.	T	Hydrogen-bonded Turn	trans	-92.9	0.9	-178.4	-56.9	-49.3	0	0	0	112.4	Q248	Q248-D251 PolarHBondContact O-N 2.84Å
252	T	95.3	Very high	94.8	Very high	24 Å²	24	86.2 Å²	86.2	15%	0.147	48%	0.476	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-95.7	120.7	179.8	-64	0	0	0	0	110.6	Q248 Q250 L254 A269 S270	Q248-T252 WeakPolarHBondContact O-CB 3.28Å; Q248-T252 PolarHBondContact O-N 3.02Å; Q248-T252 VanDerWaalsContact O-N 3.09Å; Q248-T252 PolarHBondContact O-OG1 2.99Å; Q250-T252 VanDerWaalsContact C-N 3.33Å; T252-L254 HydrophobicContact CG2-CB 4.37Å; T252-L254 PolarHBondContact O-N 3.22Å; T252-A269 HydrophobicContact CG2-CB 3.96Å; T252-S270 CarbonylContact C-O 3.6Å; T252-S270 WeakPolarHBondContact CA-O 3.32Å
253	E	96.6	Very high	94.6	Very high	117 Å²	117	86.2 Å²	86.2	55%	0.547	49%	0.486	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-78.5	109.1	162.7	-173.6	-175	-175.5	0	0	108.8	W268 A269 S270	E253-W268 HydrophobicContact CB-CZ3 4.29Å; E253-W268 VanDerWaalsContact CD-CH2 3.49Å; E253-W268 HydrophobicContact CG-CH2 3.96Å; E253-W268 HydrophobicContact CG-CZ3 3.88Å; E253-W268 WeakPolarHBondContact OE1-CH2 3.33Å; E253-A269 CarbonylContact O-C 3.58Å; E253-A269 WeakPolarHBondContact O-CA 3.49Å; E253-S270 PolarHBondContact N-O 2.99Å; E253-S270 PolarHBondContact O-N 2.62Å; E253-S270 PolarHBondContact OE2-OG 3.19Å
254	L	96.8	Very high	94.5	Very high	87 Å²	87	82.9 Å²	82.9	46%	0.455	48%	0.475	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-113.5	119.3	178.7	-175.3	68.7	0	0	0	109.8	L239 T252 K267 A269	L239-L254 HydrophobicContact CB-CD1 4.1Å; T252-L254 HydrophobicContact CG2-CB 4.37Å; T252-L254 PolarHBondContact O-N 3.22Å; L254-K267 HydrophobicContact CD1-CD 4.43Å; L254-A269 HydrophobicContact CD1-CB 3.61Å
255	V	96.8	Very high	94.7	Very high	34 Å²	34	79.5 Å²	79.5	21%	0.206	46%	0.456	C	S	.	.	P	Polyproline II helix	trans	-82.4	153.2	174.6	-65.1	0	0	0	0	112.1	K267 W268	V255-K267 HydrophobicContact CG2-CG 4.45Å; V255-K267 VanDerWaalsContact O-CE 3.31Å; V255-K267 WeakPolarHBondContact O-CE 3.42Å; V255-K267 WeakPolarHBondContact O-CG 3.3Å; V255-K267 PolarHBondContact O-NZ 3.29Å; V255-W268 HydrophobicContact CB-CD2 4.47Å; V255-W268 HydrophobicContact CB-CZ2 4.37Å; V255-W268 HydrophobicContact CG1-CD2 3.95Å; V255-W268 HydrophobicContact CG1-CE3 4.23Å; V255-W268 HydrophobicContact CG1-CH2 3.5Å; V255-W268 VanDerWaalsContact CG1-CH2 3.5Å; V255-W268 HydrophobicContact CG1-CZ2 3.15Å; V255-W268 HydrophobicContact CG1-CZ3 3.99Å; V255-W268 HydrophobicContact CG2-CD2 3.73Å; V255-W268 HydrophobicContact CG2-CE3 4.42Å; V255-W268 HydrophobicContact CG2-CG 3.73Å; V255-W268 HydrophobicContact CG2-CZ2 4.38Å; V255-W268 WeakPolarHBondContact CG2-O 3.18Å; V255-W268 PolarHBondContact N-O 2.84Å
256	E	96.6	Very high	95	Very high	170 Å²	170	79.3 Å²	79.3	79%	0.794	44%	0.442	S	S	*	.	P	Polyproline II helix	trans	-57	148.9	167.2	-67.7	-174.7	173	0	0	111.2	R258	E256-R258 PolarHBondContact O-N 3.3Å
257	T	97.8	Very high	95.2	Very high	45 Å²	45	74.1 Å²	74.1	28%	0.276	42%	0.418	S	S	.	.	P	Polyproline II helix	trans	-68.5	129.8	174.2	-56.6	0	0	0	0	108.5	F232 A235 F265 K267	F232-T257 HydrophobicContact CE2-CG2 4.11Å; F232-T257 HydrophobicContact CZ-CG2 3.89Å; A235-T257 HydrophobicContact CB-CG2 4.3Å; A235-T257 WeakPolarHBondContact O-CG2 3.45Å; T257-F265 HydrophobicContact CG2-CB 3.79Å; T257-F265 HydrophobicContact CG2-CD1 3.93Å; T257-F265 HydrophobicContact CG2-CG 4.14Å; T257-K267 WeakPolarHBondContact OG1-CD 3.31Å; T257-K267 PolarHBondContact OG1-NZ 3.43Å; T257-K267 VanDerWaalsContact OG1-NZ 3.17Å
258	R	97.1	Very high	95.3	Very high	97 Å²	97	70.7 Å²	70.7	37%	0.366	40%	0.398	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-126.2	144.3	-174.5	68	-167.2	-179.4	-177.7	4.4	111.5	E256 F265 Q266	E256-R258 PolarHBondContact O-N 3.3Å; R258-F265 WeakPolarHBondContact O-CA 3.44Å; R258-Q266 HydrophobicContact CG-CG 3.58Å; R258-Q266 PolarHBondContact N-O 3.16Å; R258-Q266 WeakPolarHBondContact O-CG 3.45Å; R258-Q266 PolarHBondContact O-N 3.1Å
259	P	96.9	Very high	95.4	Very high	94 Å²	94	70.1 Å²	70.1	61%	0.61	40%	0.395	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-68.4	144.9	177.9	28.5	-34.5	0	0	0	111.1	F265	P259-F265 HydrophobicContact CB-CD1 4.49Å; P259-F265 HydrophobicContact CB-CE1 4.26Å
260	A	96.3	Very high	95.8	Very high	49 Å²	49	65.1 Å²	65.1	41%	0.405	36%	0.364	S	S	.	.			trans	-89	-15.3	174	0	0	0	0	0	113.1	T264	A260-T264 PolarHBondContact N-O 2.83Å
261	G	92.6	Very high	96.1	Very high	79 Å²	79	56.2 Å²	56.2	81%	0.814	32%	0.323	S	S	*	.	S	Bend	trans	95.8	-8.5	179.1	0	0	0	0	0	115
262	D	92.4	Very high	96.4	Very high	105 Å²	105	54.7 Å²	54.7	56%	0.561	32%	0.317	S	S	*	.	S	Bend	trans	-105	12.8	176.9	62.5	-1.5	0	0	0	113	T264	D262-T264 WeakPolarHBondContact OD1-CB 3.47Å; D262-T264 PolarHBondContact OD1-N 2.89Å; D262-T264 PolarHBondContact OD1-OG1 2.85Å
263	G	91.3	Very high	96.5	Very high	40 Å²	40	53.5 Å²	53.5	41%	0.412	31%	0.31	S	S	.	.	S	Bend	trans	84.3	7.1	-173.7	0	0	0	0	0	114.4	Y233	Y233-G263 WeakPolarHBondContact CD2-O 3.37Å
264	T	96.5	Very high	96.4	Very high	13 Å²	13	50 Å²	50	8%	0.08	30%	0.298	C	S	.	.			trans	-108.8	172.5	170.6	73	0	0	0	0	112.1	S231 F232 A260 D262	S231-T264 WeakPolarHBondContact CA-OG1 3.37Å; F232-T264 CarbonylContact O-C 3.53Å; F232-T264 WeakPolarHBondContact O-CA 3.4Å; A260-T264 PolarHBondContact N-O 2.83Å; D262-T264 WeakPolarHBondContact OD1-CB 3.47Å; D262-T264 PolarHBondContact OD1-N 2.89Å; D262-T264 PolarHBondContact OD1-OG1 2.85Å
265	F	98	Very high	96.1	Very high	25 Å²	25	48.5 Å²	48.5	11%	0.11	29%	0.294	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-120.8	162.5	-177.7	-63.7	-85.8	0	0	0	112.1	D54 S231 F232 Y233 A235 T257 R258 P259	D54-F265 HydrophobicContact CB-CE2 3.79Å; D54-F265 HydrophobicContact CB-CZ 3.64Å; S231-F265 PolarHBondContact N-O 3.49Å; F232-F265 VanDerWaalsContact CD1-O 3.3Å; F232-F265 WeakPolarHBondContact CD1-O 3.27Å; F232-F265 HydrophobicContact CD2-CB 3.93Å; F232-F265 HydrophobicContact CE1-CB 4.26Å; F232-F265 WeakPolarHBondContact CE1-O 3.15Å; F232-F265 HydrophobicContact CE2-CB 3.47Å; F232-F265 VanDerWaalsContact CE2-CB 3.47Å; F232-F265 HydrophobicContact CE2-CG 4.47Å; F232-F265 HydrophobicContact CG-CB 4.47Å; F232-F265 HydrophobicContact CZ-CB 3.64Å; F232-F265 PolarHBondContact N-O 2.92Å; F232-F265 PolarHBondContact O-N 3.4Å; Y233-F265 HydrophobicContact CD2-CD2 4.4Å; Y233-F265 AromaticContact CD2-CE2 3.96Å; Y233-F265 HydrophobicContact CD2-CE2 3.96Å; Y233-F265 HydrophobicContact CE2-CE2 4.41Å; A235-F265 HydrophobicContact CB-CD1 3.69Å; A235-F265 HydrophobicContact CB-CD2 3.68Å; A235-F265 HydrophobicContact CB-CE1 3.67Å; A235-F265 HydrophobicContact CB-CE2 3.67Å; A235-F265 HydrophobicContact CB-CG 3.71Å; A235-F265 HydrophobicContact CB-CZ 3.7Å; T257-F265 HydrophobicContact CG2-CB 3.79Å; T257-F265 HydrophobicContact CG2-CD1 3.93Å; T257-F265 HydrophobicContact CG2-CG 4.14Å; R258-F265 WeakPolarHBondContact O-CA 3.44Å; P259-F265 HydrophobicContact CB-CD1 4.49Å; P259-F265 HydrophobicContact CB-CE1 4.26Å
266	Q	98.2	Very high	95.8	Very high	44 Å²	44	50 Å²	50	21%	0.206	32%	0.316	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-140.9	146.9	173.8	43.4	166.2	-20.4	0	0	110.1	A229 L230 R258	A229-Q266 VanDerWaalsContact O-CA 3.3Å; A229-Q266 WeakPolarHBondContact O-CA 3.24Å; L230-Q266 HydrophobicContact CD2-CB 3.56Å; R258-Q266 HydrophobicContact CG-CG 3.58Å; R258-Q266 PolarHBondContact N-O 3.16Å; R258-Q266 WeakPolarHBondContact O-CG 3.45Å; R258-Q266 PolarHBondContact O-N 3.1Å
267	K	98.5	Very high	95.7	Very high	21 Å²	21	45 Å²	45	9%	0.091	29%	0.293	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-150.8	153.4	176.7	-162.4	-177.1	-171.2	69.4	0	108.9	A229 F232 I237 L239 L254 V255 T257	A229-K267 PolarHBondContact N-O 3.18Å; A229-K267 PolarHBondContact O-N 3.14Å; A229-K267 VanDerWaalsContact O-O 3.07Å; F232-K267 HydrophobicContact CE1-CB 4.34Å; F232-K267 HydrophobicContact CZ-CB 4.12Å; I237-K267 HydrophobicContact CG2-CB 4.22Å; I237-K267 HydrophobicContact CG2-CD 3.56Å; L239-K267 HydrophobicContact CD1-CD 4.3Å; L239-K267 HydrophobicContact CD2-CB 4.39Å; L239-K267 HydrophobicContact CD2-CG 4.43Å; L254-K267 HydrophobicContact CD1-CD 4.43Å; V255-K267 HydrophobicContact CG2-CG 4.45Å; V255-K267 VanDerWaalsContact O-CE 3.31Å; V255-K267 WeakPolarHBondContact O-CE 3.42Å; V255-K267 WeakPolarHBondContact O-CG 3.3Å; V255-K267 PolarHBondContact O-NZ 3.29Å; T257-K267 WeakPolarHBondContact OG1-CD 3.31Å; T257-K267 PolarHBondContact OG1-NZ 3.43Å; T257-K267 VanDerWaalsContact OG1-NZ 3.17Å
268	W	98.1	Very high	95.5	Very high	24 Å²	24	43.7 Å²	43.7	9%	0.091	28%	0.284	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-142.6	157.3	169.1	59.2	-99.5	0	0	0	111.3	R226 C227 W228 E253 V255 S270	R226-W268 HydrophobicContact CG-CB 4.03Å; R226-W268 HydrophobicContact CG-CD2 4.19Å; R226-W268 HydrophobicContact CG-CE3 3.96Å; R226-W268 HydrophobicContact CG-CG 4.28Å; C227-W268 CarbonylContact O-C 3.59Å; C227-W268 WeakPolarHBondContact O-CA 3.23Å; C227-W268 VanDerWaalsContact O-CB 3.26Å; C227-W268 WeakPolarHBondContact O-CB 3.16Å; W228-W268 HydrophobicContact CD2-CB 3.94Å; W228-W268 HydrophobicContact CD2-CG 4.43Å; W228-W268 HydrophobicContact CE3-CB 3.83Å; W228-W268 AromaticContact CE3-CD1 3.82Å; W228-W268 HydrophobicContact CE3-CG 4.12Å; W228-W268 HydrophobicContact CG-CB 4.36Å; W228-W268 AromaticContact CH2-CD1 3.64Å; W228-W268 HydrophobicContact CH2-CG 4.25Å; W228-W268 HydrophobicContact CZ3-CB 4.26Å; W228-W268 AromaticContact CZ3-CD1 3.35Å; W228-W268 HydrophobicContact CZ3-CG 4.04Å; E253-W268 HydrophobicContact CB-CZ3 4.29Å; E253-W268 VanDerWaalsContact CD-CH2 3.49Å; E253-W268 HydrophobicContact CG-CH2 3.96Å; E253-W268 HydrophobicContact CG-CZ3 3.88Å; E253-W268 WeakPolarHBondContact OE1-CH2 3.33Å; V255-W268 HydrophobicContact CB-CD2 4.47Å; V255-W268 HydrophobicContact CB-CZ2 4.37Å; V255-W268 HydrophobicContact CG1-CD2 3.95Å; V255-W268 HydrophobicContact CG1-CE3 4.23Å; V255-W268 HydrophobicContact CG1-CH2 3.5Å; V255-W268 VanDerWaalsContact CG1-CH2 3.5Å; V255-W268 HydrophobicContact CG1-CZ2 3.15Å; V255-W268 HydrophobicContact CG1-CZ3 3.99Å; V255-W268 HydrophobicContact CG2-CD2 3.73Å; V255-W268 HydrophobicContact CG2-CE3 4.42Å; V255-W268 HydrophobicContact CG2-CG 3.73Å; V255-W268 HydrophobicContact CG2-CZ2 4.38Å; V255-W268 WeakPolarHBondContact CG2-O 3.18Å; V255-W268 PolarHBondContact N-O 2.84Å; W268-S270 WeakPolarHBondContact CZ3-OG 3.37Å
269	A	98	Very high	95.3	Very high	0 Å²	0	43.7 Å²	43.7	0%	0	29%	0.288	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-131.2	132.5	173.5	0	0	0	0	0	108.5	R226 C227 L239 W241 T252 E253 L254	R226-A269 WeakPolarHBondContact CA-O 3.43Å; C227-A269 PolarHBondContact N-O 2.72Å; C227-A269 PolarHBondContact O-N 2.77Å; L239-A269 HydrophobicContact CB-CB 4.08Å; L239-A269 HydrophobicContact CD2-CB 4.29Å; W241-A269 PolarHBondContact NE1-O 3.07Å; T252-A269 HydrophobicContact CG2-CB 3.96Å; E253-A269 CarbonylContact O-C 3.58Å; E253-A269 WeakPolarHBondContact O-CA 3.49Å; L254-A269 HydrophobicContact CD1-CB 3.61Å
270	S	97.3	Very high	95.2	Very high	3 Å²	3	44.5 Å²	44.5	2%	0.021	28%	0.279	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-125.5	151	173.7	49.7	0	0	0	0	113.8	L225 T252 E253 W268	L225-S270 CarbonylContact O-C 3.6Å; L225-S270 WeakPolarHBondContact O-CA 3.34Å; L225-S270 WeakPolarHBondContact O-CB 3.44Å; T252-S270 CarbonylContact C-O 3.6Å; T252-S270 WeakPolarHBondContact CA-O 3.32Å; E253-S270 PolarHBondContact N-O 2.99Å; E253-S270 PolarHBondContact O-N 2.62Å; E253-S270 PolarHBondContact OE2-OG 3.19Å; W268-S270 WeakPolarHBondContact CZ3-OG 3.37Å
271	V	97.3	Very high	95.3	Very high	3 Å²	3	42.4 Å²	42.4	2%	0.018	26%	0.261	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-134.8	142.6	177.3	62.4	0	0	0	0	108.8	T224 L225 W241 V273 Y281	T224-V271 WeakPolarHBondContact CA-O 3.44Å; L225-V271 HydrophobicContact CB-CG1 4.33Å; L225-V271 PolarHBondContact N-O 2.82Å; L225-V271 PolarHBondContact O-N 3.32Å; W241-V271 HydrophobicContact CB-CG1 4.46Å; W241-V271 HydrophobicContact CD2-CB 4.38Å; W241-V271 HydrophobicContact CD2-CG1 3.56Å; W241-V271 HydrophobicContact CE3-CG1 3.86Å; W241-V271 HydrophobicContact CG-CB 4.17Å; W241-V271 HydrophobicContact CG-CG1 3.85Å; W241-V271 HydrophobicContact CH2-CG1 4.44Å; W241-V271 HydrophobicContact CZ2-CG1 4.2Å; W241-V271 HydrophobicContact CZ3-CG1 4.3Å; V271-V273 HydrophobicContact CG1-CG1 3.77Å; V271-V273 HydrophobicContact CG2-CG1 4.44Å; V271-Y281 HydrophobicContact CG1-CD1 3.98Å; V271-Y281 HydrophobicContact CG1-CE1 4.39Å; V271-Y281 HydrophobicContact CG2-CD1 4.33Å; V271-Y281 HydrophobicContact CG2-CE1 3.97Å
272	V	96.7	Very high	95.5	Very high	74 Å²	74	39.2 Å²	39.2	45%	0.448	23%	0.225	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-84.7	127.9	170.9	-178.4	0	0	0	0	108.1	E222	E222-V272 HydrophobicContact CB-CG1 4.09Å; E222-V272 HydrophobicContact CG-CG1 4.29Å
273	V	96	Very high	95.8	Very high	0 Å²	0	34.2 Å²	34.2	0%	0	20%	0.199	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-126.2	144.4	-176	-52	0	0	0	0	110.3	E222 A223 L225 V271 E278 Y281	E222-V273 WeakPolarHBondContact CA-O 3.38Å; A223-V273 HydrophobicContact CB-CG2 4.32Å; A223-V273 PolarHBondContact N-O 3.04Å; A223-V273 WeakPolarHBondContact O-CG2 3.47Å; A223-V273 PolarHBondContact O-N 2.86Å; L225-V273 HydrophobicContact CD1-CG1 3.99Å; L225-V273 HydrophobicContact CD1-CG2 4.05Å; L225-V273 HydrophobicContact CG-CG1 4.18Å; L225-V273 HydrophobicContact CG-CG2 3.86Å; V271-V273 HydrophobicContact CG1-CG1 3.77Å; V271-V273 HydrophobicContact CG2-CG1 4.44Å; V273-E278 HydrophobicContact CG2-CG 3.94Å; V273-Y281 HydrophobicContact CB-CD2 4.02Å; V273-Y281 HydrophobicContact CB-CE2 3.72Å; V273-Y281 HydrophobicContact CG1-CD1 3.7Å; V273-Y281 HydrophobicContact CG1-CD2 3.6Å; V273-Y281 HydrophobicContact CG1-CE1 3.65Å; V273-Y281 HydrophobicContact CG1-CE2 3.58Å; V273-Y281 HydrophobicContact CG1-CG 3.66Å
274	P	95.4	Very high	96.1	Very high	44 Å²	44	34 Å²	34	29%	0.286	19%	0.186	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-64.1	138.7	170.7	-20.1	32.3	0	0	0	111.1	H221 G276 Q277	H221-P274 CarbonylContact O-C 3.52Å; H221-P274 WeakPolarHBondContact O-CA 3.29Å; P274-G276 PolarHBondContact O-N 3.22Å; P274-Q277 HydrophobicContact CB-CB 4.38Å; P274-Q277 HydrophobicContact CB-CG 4.14Å; P274-Q277 WeakPolarHBondContact O-CB 3.48Å; P274-Q277 PolarHBondContact O-N 3.21Å
275	S	91.1	Very high	96.1	Very high	55 Å²	55	33.3 Å²	33.3	39%	0.385	18%	0.183	S	C	.	.	T	Hydrogen-bonded Turn	trans	-53.3	130.1	176	-62.5	0	0	0	0	111	D220 H221 E222 Q277 E278	D220-S275 PolarHBondContact O-OG 3.14Å; H221-S275 PolarHBondContact O-N 2.79Å; H221-S275 PolarHBondContact O-OG 3.01Å; E222-S275 PolarHBondContact N-OG 3.44Å; S275-Q277 VanDerWaalsContact C-N 3.32Å; S275-E278 WeakPolarHBondContact CA-OE1 3.07Å
276	G	89.8	Confident	96.1	Very high	65 Å²	65	35.3 Å²	35.3	67%	0.67	19%	0.192	S	C	*	.	T	Hydrogen-bonded Turn	trans	85	-2.8	-178.5	0	0	0	0	0	114.9	P274 E278	P274-G276 PolarHBondContact O-N 3.22Å; G276-E278 WeakPolarHBondContact CA-OE2 3.27Å; G276-E278 VanDerWaalsContact N-CD 3.3Å; G276-E278 PolarHBondContact N-OE1 3.27Å; G276-E278 PolarHBondContact N-OE2 3.21Å
277	Q	94	Very high	96	Very high	65 Å²	65	33.7 Å²	33.7	30%	0.304	19%	0.185	S	C	.	.			trans	-104.4	6.2	175.3	-60.1	-167.3	38.2	0	0	113.4	P274 S275 Q279 R280 Y281	P274-Q277 HydrophobicContact CB-CB 4.38Å; P274-Q277 HydrophobicContact CB-CG 4.14Å; P274-Q277 WeakPolarHBondContact O-CB 3.48Å; P274-Q277 PolarHBondContact O-N 3.21Å; S275-Q277 VanDerWaalsContact C-N 3.32Å; Q277-Q279 PolarHBondContact O-N 2.94Å; Q277-Q279 VanDerWaalsContact O-N 3.1Å; Q277-R280 WeakPolarHBondContact O-CB 3.49Å; Q277-R280 PolarHBondContact O-N 3.26Å; Q277-Y281 HydrophobicContact CB-CE2 4.48Å; Q277-Y281 WeakPolarHBondContact O-CD2 3.43Å
278	E	93.7	Very high	95.6	Very high	18 Å²	18	36 Å²	36	8%	0.084	20%	0.196	C	C	.	.	G	3₁₀ helix	trans	-55.9	-35.3	-174	-57.9	79.5	-175.1	0	0	112.1	L225 V273 S275 G276 R280 Y281 W298	L225-E278 HydrophobicContact CD1-CB 4.06Å; L225-E278 HydrophobicContact CD1-CG 4.44Å; L225-E278 HydrophobicContact CD2-CB 4.46Å; L225-E278 HydrophobicContact CD2-CG 4.26Å; V273-E278 HydrophobicContact CG2-CG 3.94Å; S275-E278 WeakPolarHBondContact CA-OE1 3.07Å; G276-E278 WeakPolarHBondContact CA-OE2 3.27Å; G276-E278 VanDerWaalsContact N-CD 3.3Å; G276-E278 PolarHBondContact N-OE1 3.27Å; G276-E278 PolarHBondContact N-OE2 3.21Å; E278-R280 PolarHBondContact O-N 3.49Å; E278-Y281 PolarHBondContact O-N 2.83Å; E278-Y281 VanDerWaalsContact O-N 3.11Å; E278-W298 HydrophobicContact CB-CD2 4.26Å; E278-W298 HydrophobicContact CB-CE3 3.38Å; E278-W298 HydrophobicContact CB-CZ3 3.82Å; E278-W298 HydrophobicContact CG-CE3 3.74Å; E278-W298 HydrophobicContact CG-CZ3 3.79Å
279	Q	93.4	Very high	95.3	Very high	97 Å²	97	35.8 Å²	35.8	45%	0.453	20%	0.201	S	C	.	.	G	3₁₀ helix	trans	-68.8	-17.9	-179.5	-63.8	-57.1	-42.9	0	0	114.4	Q277 W298	Q277-Q279 PolarHBondContact O-N 2.94Å; Q277-Q279 VanDerWaalsContact O-N 3.1Å; Q279-W298 PolarHBondContact NE2-O 3.45Å
280	R	95.6	Very high	95.2	Very high	110 Å²	110	37 Å²	37	42%	0.415	21%	0.207	S	C	.	.	G	3₁₀ helix	trans	-77.3	-16.1	174.6	-63.7	175.4	68.2	-178.1	8	112.1	R243 D244 Q277 E278	R243-R280 WeakPolarHBondContact CA-O 3.45Å; R243-R280 HydrophobicContact CG-CB 4.35Å; D244-R280 PolarHBondContact N-O 2.8Å; D244-R280 WeakPolarHBondContact OD1-CB 3.46Å; D244-R280 IonicContact OD1-NE 3.28Å; D244-R280 PolarHBondContact OD1-NE 2.97Å; D244-R280 IonicContact OD2-CZ 3.07Å; D244-R280 IonicContact OD2-NE 2.81Å; D244-R280 PolarHBondContact OD2-NE 3.47Å; D244-R280 IonicContact OD2-NH2 2.61Å; D244-R280 PolarHBondContact OD2-NH2 2.98Å; Q277-R280 WeakPolarHBondContact O-CB 3.49Å; Q277-R280 PolarHBondContact O-N 3.26Å; E278-R280 PolarHBondContact O-N 3.49Å
281	Y	96.8	Very high	95	Very high	6 Å²	6	43.1 Å²	43.1	2%	0.024	25%	0.247	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-97.6	132.1	-177.5	-69.1	-101.7	0	0	0	111.1	Q242 R243 Q248 V271 V273 Q277 E278	Q242-Y281 CarbonylContact O-C 3.55Å; Q242-Y281 VanDerWaalsContact O-CA 3.25Å; Q242-Y281 WeakPolarHBondContact O-CA 3.36Å; R243-Y281 HydrophobicContact CB-CD1 4.08Å; R243-Y281 HydrophobicContact CB-CE1 3.9Å; R243-Y281 WeakPolarHBondContact CD-OH 3.47Å; R243-Y281 HydrophobicContact CG-CD1 4.47Å; R243-Y281 HydrophobicContact CG-CD2 4.41Å; R243-Y281 HydrophobicContact CG-CE1 4.13Å; R243-Y281 HydrophobicContact CG-CE2 4.04Å; Q248-Y281 HydrophobicContact CG-CE1 4.34Å; V271-Y281 HydrophobicContact CG1-CD1 3.98Å; V271-Y281 HydrophobicContact CG1-CE1 4.39Å; V271-Y281 HydrophobicContact CG2-CD1 4.33Å; V271-Y281 HydrophobicContact CG2-CE1 3.97Å; V273-Y281 HydrophobicContact CB-CD2 4.02Å; V273-Y281 HydrophobicContact CB-CE2 3.72Å; V273-Y281 HydrophobicContact CG1-CD1 3.7Å; V273-Y281 HydrophobicContact CG1-CD2 3.6Å; V273-Y281 HydrophobicContact CG1-CE1 3.65Å; V273-Y281 HydrophobicContact CG1-CE2 3.58Å; V273-Y281 HydrophobicContact CG1-CG 3.66Å; Q277-Y281 HydrophobicContact CB-CE2 4.48Å; Q277-Y281 WeakPolarHBondContact O-CD2 3.43Å; E278-Y281 PolarHBondContact O-N 2.83Å; E278-Y281 VanDerWaalsContact O-N 3.11Å
282	T	97.5	Very high	94.8	Very high	12 Å²	12	50.7 Å²	50.7	7%	0.074	28%	0.28	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-125.1	135.1	176	46.4	0	0	0	0	110.3	W241 Q242 H284 T295 L296 R297	W241-T282 WeakPolarHBondContact CA-O 3.46Å; W241-T282 VanDerWaalsContact CE3-C 3.47Å; Q242-T282 PolarHBondContact N-O 3.18Å; Q242-T282 PolarHBondContact O-N 2.76Å; T282-H284 PolarHBondContact OG1-NE2 3.16Å; T282-T295 HydrophobicContact CG2-CG2 3.91Å; T282-L296 CarbonylContact C-O 3.55Å; T282-L296 WeakPolarHBondContact CA-O 3.34Å; T282-R297 HydrophobicContact CG2-CG 3.53Å; T282-R297 VanDerWaalsContact CG2-NE 3.31Å
283	C	97.8	Very high	94.7	Very high	0 Å²	0	51 Å²	51	0%	0	28%	0.284	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-94.8	129.6	168.4	174.5	0	0	0	0	109.4	M213 C227 T240 W241 T295 L296	M213-C283 HydrophobicContact CE-CB 3.38Å; C227-C283 HydrophobicContact CB-CB 3.5Å; C227-C283 WeakPolarHBondContact CB-SG 3.44Å; C227-C283 WeakPolarHBondContact SG-CB 3.43Å; C227-C283 CovalentContact SG-SG 2.03Å; C227-C283 PolarHBondContact SG-SG 2.79Å; T240-C283 CarbonylContact O-C 3.6Å; T240-C283 WeakPolarHBondContact O-CA 3.4Å; W241-C283 HydrophobicContact CD2-CB 4.22Å; W241-C283 HydrophobicContact CE3-CB 4.18Å; W241-C283 HydrophobicContact CH2-CB 4.1Å; W241-C283 HydrophobicContact CZ2-CB 4.13Å; W241-C283 HydrophobicContact CZ3-CB 4.11Å; C283-T295 CarbonylContact O-C 3.57Å; C283-T295 WeakPolarHBondContact O-CA 3.35Å; C283-L296 HydrophobicContact CB-CB 4.31Å; C283-L296 PolarHBondContact N-O 3.47Å; C283-L296 PolarHBondContact O-N 3.07Å
284	H	97.5	Very high	94.7	Very high	34 Å²	34	53.9 Å²	53.9	16%	0.157	30%	0.299	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-107.6	129.6	176.3	-63.5	-104.4	0	0	0	109.5	L239 T240 Q242 T282 L294 T295	L239-H284 WeakPolarHBondContact CA-O 3.47Å; T240-H284 PolarHBondContact N-O 2.86Å; T240-H284 PolarHBondContact O-N 3.29Å; Q242-H284 PolarHBondContact OE1-NE2 3Å; T282-H284 PolarHBondContact OG1-NE2 3.16Å; H284-L294 WeakPolarHBondContact CA-O 3.47Å; H284-T295 PolarHBondContact CE1-OG1 3.43Å; H284-T295 PolarHBondContact ND1-OG1 3.19Å
285	V	97.9	Very high	94.8	Very high	0 Å²	0	55.7 Å²	55.7	0%	0	31%	0.309	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-121.9	120.6	-179	-174.3	0	0	0	0	108.9	P209 T211 I237 T238 L239 L290 P293 L294 L296	P209-V285 HydrophobicContact CG-CG1 3.97Å; T211-V285 HydrophobicContact CG2-CB 4.48Å; T211-V285 HydrophobicContact CG2-CG1 4.24Å; T211-V285 HydrophobicContact CG2-CG2 4.09Å; I237-V285 HydrophobicContact CD1-CG1 4.01Å; I237-V285 HydrophobicContact CG1-CG1 4.35Å; T238-V285 WeakPolarHBondContact O-CA 3.07Å; L239-V285 HydrophobicContact CD1-CG1 4.05Å; L239-V285 HydrophobicContact CG-CG2 4.32Å; V285-L290 HydrophobicContact CG1-CD1 4.16Å; V285-P293 WeakPolarHBondContact O-CA 3.46Å; V285-L294 HydrophobicContact CB-CB 4.32Å; V285-L294 PolarHBondContact N-O 2.83Å; V285-L294 PolarHBondContact O-N 3.24Å; V285-L296 HydrophobicContact CG2-CD1 3.98Å
286	Q	97.3	Very high	95	Very high	67 Å²	67	54.9 Å²	54.9	31%	0.313	30%	0.3	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-116.1	128.5	173.6	-52.5	-177.9	18	0	0	109.1	I237 T238 P293	I237-Q286 VanDerWaalsContact CG1-O 3.3Å; I237-Q286 WeakPolarHBondContact CG1-O 3.41Å; T238-Q286 PolarHBondContact N-O 3.38Å; T238-Q286 PolarHBondContact O-N 3.1Å; Q286-P293 HydrophobicContact CG-CB 4.08Å; Q286-P293 HydrophobicContact CG-CG 4.17Å
287	H	95.5	Very high	95.2	Very high	10 Å²	10	59.2 Å²	59.2	5%	0.046	30%	0.296	C	S	.	.			trans	-155.3	145.9	-179.4	-173.4	-98.9	0	0	0	108.6	D207 P209 F232 Y233 P234 E236 I237 G289 L290	D207-H287 PolarHBondContact O-CE1 2.94Å; D207-H287 VanDerWaalsContact O-CE1 3.29Å; P209-H287 HydrophobicContact CG-CB 4.02Å; F232-H287 AromaticContact CD2-CD2 3.83Å; F232-H287 AromaticContact CD2-NE2 3.65Å; Y233-H287 PolarHBondContact O-CE1 3.37Å; Y233-H287 VanDerWaalsContact O-CE1 3.23Å; P234-H287 PolarHBondContact O-NE2 3.01Å; E236-H287 PolarHBondContact O-CD2 3.32Å; I237-H287 HydrophobicContact CD1-CB 4.31Å; I237-H287 HydrophobicContact CG1-CB 4.07Å; H287-G289 PolarHBondContact ND1-N 2.86Å; H287-G289 PolarHBondContact O-N 2.83Å; H287-L290 HydrophobicContact CB-CD1 3.97Å; H287-L290 HydrophobicContact CB-CG 4.16Å; H287-L290 WeakPolarHBondContact O-CB 3.39Å; H287-L290 PolarHBondContact O-N 3.02Å
288	E	91.7	Very high	95.1	Very high	69 Å²	69	58.3 Å²	58.3	32%	0.322	29%	0.29	S	S	.	.	T	Hydrogen-bonded Turn	trans	-58.3	-31.6	-180	-170.8	-172.4	177.2	0	0	112.4	W23 T206 L290	W23-E288 HydrophobicContact CE3-CB 4.22Å; T206-E288 HydrophobicContact CG2-CB 3.88Å; T206-E288 HydrophobicContact CG2-CG 4.05Å; E288-L290 PolarHBondContact O-N 3.48Å
289	G	92.2	Very high	94.6	Very high	20 Å²	20	65.4 Å²	65.4	21%	0.206	32%	0.323	C	S	.	.	T	Hydrogen-bonded Turn	trans	-73.5	-8.8	179.8	0	0	0	0	0	113.8	A208 H287	A208-G289 WeakPolarHBondContact CB-O 3.31Å; H287-G289 PolarHBondContact ND1-N 2.86Å; H287-G289 PolarHBondContact O-N 2.83Å
290	L	94.8	Very high	93.9	Very high	24 Å²	24	64.6 Å²	64.6	13%	0.126	33%	0.326	C	S	.	.			trans	-95.9	125.8	177.7	-64.8	170.6	0	0	0	110.2	A208 P209 V285 H287 E288 K292 L294	A208-L290 HydrophobicContact CB-CD2 4Å; P209-L290 HydrophobicContact CG-CD1 3.86Å; P209-L290 HydrophobicContact CG-CD2 4.37Å; P209-L290 HydrophobicContact CG-CG 4.16Å; V285-L290 HydrophobicContact CG1-CD1 4.16Å; H287-L290 HydrophobicContact CB-CD1 3.97Å; H287-L290 HydrophobicContact CB-CG 4.16Å; H287-L290 WeakPolarHBondContact O-CB 3.39Å; H287-L290 PolarHBondContact O-N 3.02Å; E288-L290 PolarHBondContact O-N 3.48Å; L290-K292 WeakPolarHBondContact CB-O 3.17Å; L290-K292 PolarHBondContact O-N 2.83Å; L290-L294 HydrophobicContact CD1-CB 4.46Å; L290-L294 HydrophobicContact CD1-CD1 3.91Å; L290-L294 HydrophobicContact CD1-CG 3.83Å; L290-L294 HydrophobicContact CD2-CD1 3.58Å; L290-L294 HydrophobicContact CD2-CD2 4.49Å; L290-L294 HydrophobicContact CD2-CG 3.86Å; L290-L294 HydrophobicContact CG-CD1 4.41Å; L290-L294 HydrophobicContact CG-CG 4.44Å
291	P	92.3	Very high	92.3	Very high	132 Å²	132	64.2 Å²	64.2	86%	0.857	34%	0.34	S	S	*	.	S	Bend	trans	-64.6	-24.6	176.9	27.1	-34.8	0	0	0	112.3
292	K	93.1	Very high	90	Very high	163 Å²	163	69.3 Å²	69.3	71%	0.709	38%	0.377	S	S	*	.	S	Bend	trans	-146.8	149	173.1	-63.4	-176.5	-177.4	177.1	0	108.9	L290 L294	L290-K292 WeakPolarHBondContact CB-O 3.17Å; L290-K292 PolarHBondContact O-N 2.83Å; K292-L294 PolarHBondContact O-N 3.34Å
293	P	95.2	Very high	87.5	Confident	81 Å²	81	76.4 Å²	76.4	53%	0.526	41%	0.409	S	S	.	.			trans	-50.3	136.8	171.8	-28.8	36.7	0	0	0	112.1	V285 Q286	V285-P293 WeakPolarHBondContact O-CA 3.46Å; Q286-P293 HydrophobicContact CG-CB 4.08Å; Q286-P293 HydrophobicContact CG-CG 4.17Å
294	L	96.1	Very high	84.9	Confident	60 Å²	60	81.3 Å²	81.3	31%	0.314	44%	0.441	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-87.5	142.5	174.4	-65.8	176.3	0	0	0	109.8	T211 H284 V285 L290 K292	T211-L294 HydrophobicContact CG2-CD1 4.26Å; H284-L294 WeakPolarHBondContact CA-O 3.47Å; V285-L294 HydrophobicContact CB-CB 4.32Å; V285-L294 PolarHBondContact N-O 2.83Å; V285-L294 PolarHBondContact O-N 3.24Å; L290-L294 HydrophobicContact CD1-CB 4.46Å; L290-L294 HydrophobicContact CD1-CD1 3.91Å; L290-L294 HydrophobicContact CD1-CG 3.83Å; L290-L294 HydrophobicContact CD2-CD1 3.58Å; L290-L294 HydrophobicContact CD2-CD2 4.49Å; L290-L294 HydrophobicContact CD2-CG 3.86Å; L290-L294 HydrophobicContact CG-CD1 4.41Å; L290-L294 HydrophobicContact CG-CG 4.44Å; K292-L294 PolarHBondContact O-N 3.34Å
295	T	96.8	Very high	82.7	Confident	82 Å²	82	86.1 Å²	86.1	50%	0.503	47%	0.473	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-122.6	117.9	170.1	-57	0	0	0	0	107.8	T282 C283 H284	T282-T295 HydrophobicContact CG2-CG2 3.91Å; C283-T295 CarbonylContact O-C 3.57Å; C283-T295 WeakPolarHBondContact O-CA 3.35Å; H284-T295 PolarHBondContact CE1-OG1 3.43Å; H284-T295 PolarHBondContact ND1-OG1 3.19Å
296	L	95.4	Very high	80.6	Confident	37 Å²	37	90.8 Å²	90.8	19%	0.194	50%	0.497	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-110.6	140.1	-175.3	-63.5	157.3	0	0	0	108.7	T211 M213 T282 C283 V285	T211-L296 VanDerWaalsContact CB-CD1 3.48Å; T211-L296 HydrophobicContact CG2-CD1 4.04Å; M213-L296 VanDerWaalsContact CE-C 3.46Å; M213-L296 HydrophobicContact CE-CB 3.61Å; M213-L296 WeakPolarHBondContact CE-O 3.26Å; M213-L296 HydrophobicContact SD-CB 4.48Å; T282-L296 CarbonylContact C-O 3.55Å; T282-L296 WeakPolarHBondContact CA-O 3.34Å; C283-L296 HydrophobicContact CB-CB 4.31Å; C283-L296 PolarHBondContact N-O 3.47Å; C283-L296 PolarHBondContact O-N 3.07Å; V285-L296 HydrophobicContact CG2-CD1 3.98Å
297	R	93.9	Very high	78.6	Confident	156 Å²	156	91.7 Å²	91.7	59%	0.589	51%	0.509	S	S	*	.			trans	-120.2	154.8	168.3	-73.2	-175.7	179.2	158.2	0.1	108.9	T282 E299	T282-R297 HydrophobicContact CG2-CG 3.53Å; T282-R297 VanDerWaalsContact CG2-NE 3.31Å; R297-E299 PolarHBondContact O-N 2.64Å
298	W	91.8	Very high	76.9	Confident	47 Å²	47	96.6 Å²	96.6	18%	0.178	53%	0.534	C	S	.	.			trans	-72.4	123.1	175.8	172.5	65.6	0	0	0	109.2	M213 H215 L225 E278 Q279 P300	M213-W298 VanDerWaalsContact SD-CA 3.51Å; M213-W298 HydrophobicContact SD-CB 3.89Å; M213-W298 PolarHBondContact SD-N 2.9Å; H215-W298 HydrophobicContact CB-CD2 4.45Å; H215-W298 HydrophobicContact CB-CZ2 4.06Å; H215-W298 VanDerWaalsContact CB-NE1 3.26Å; H215-W298 AromaticContact CD2-CE2 3.96Å; H215-W298 AromaticContact CD2-CZ2 3.85Å; H215-W298 AromaticContact CG-CE2 3.87Å; H215-W298 AromaticContact CG-CZ2 3.81Å; H215-W298 AromaticContact CG-NE1 3.99Å; L225-W298 HydrophobicContact CD1-CB 4.37Å; L225-W298 HydrophobicContact CD2-CB 3.95Å; L225-W298 HydrophobicContact CD2-CD2 4.32Å; L225-W298 HydrophobicContact CD2-CG 3.88Å; E278-W298 HydrophobicContact CB-CD2 4.26Å; E278-W298 HydrophobicContact CB-CE3 3.38Å; E278-W298 HydrophobicContact CB-CZ3 3.82Å; E278-W298 HydrophobicContact CG-CE3 3.74Å; E278-W298 HydrophobicContact CG-CZ3 3.79Å; Q279-W298 PolarHBondContact NE2-O 3.45Å; W298-P300 HydrophobicContact CE3-CG 4.35Å; W298-P300 HydrophobicContact CH2-CB 4.13Å; W298-P300 HydrophobicContact CH2-CG 3.82Å; W298-P300 HydrophobicContact CZ2-CB 4.11Å; W298-P300 HydrophobicContact CZ2-CG 4.16Å; W298-P300 HydrophobicContact CZ3-CG 3.91Å
299	E	84.3	Confident	75.4	Confident	166 Å²	166	99 Å²	99	78%	0.776	55%	0.554	S	S	*	*			trans	-104.2	123	169.7	-73.6	-178.6	176.6	0	0	108.6	R297 S301	R297-E299 PolarHBondContact O-N 2.64Å; E299-S301 PolarHBondContact O-N 2.88Å
300	P	77.8	Confident	74.2	Confident	80 Å²	80	100.2 Å²	100.2	52%	0.519	57%	0.565	S	S	.	*			trans	-56.9	129.9	171.7	-18.6	28.6	0	0	0	108.9	W298 S302	W298-P300 HydrophobicContact CE3-CG 4.35Å; W298-P300 HydrophobicContact CH2-CB 4.13Å; W298-P300 HydrophobicContact CH2-CG 3.82Å; W298-P300 HydrophobicContact CZ2-CB 4.11Å; W298-P300 HydrophobicContact CZ2-CG 4.16Å; W298-P300 HydrophobicContact CZ3-CG 3.91Å; P300-S302 PolarHBondContact O-N 2.89Å
301	S	62.3	Low	73.2	Confident	102 Å²	102	103.5 Å²	103.5	71%	0.713	58%	0.582	S	S	*	*			trans	-60.7	114.6	179.6	69.6	0	0	0	0	109.3	E299 Q303	E299-S301 PolarHBondContact O-N 2.88Å; S301-Q303 PolarHBondContact O-N 2.88Å
302	S	48.3	Very low	72.3	Confident	114 Å²	114	101.9 Å²	101.9	80%	0.797	57%	0.565	S	S	*	*			trans	-77.2	66.1	167.2	61.5	0	0	0	0	108	P300 P304	P300-S302 PolarHBondContact O-N 2.89Å; S302-P304 WeakPolarHBondContact O-CD 3.49Å
303	Q	46	Very low	71.4	Confident	161 Å²	161	96.5 Å²	96.5	75%	0.752	55%	0.551	S	S	*	*			trans	-72.1	110.3	154.8	-82	-167.6	-22	0	0	105.5	S301 T305	S301-Q303 PolarHBondContact O-N 2.88Å; Q303-T305 PolarHBondContact O-N 3.17Å
304	P	43.5	Very low	70.7	Confident	103 Å²	103	94.4 Å²	94.4	67%	0.669	55%	0.545	S	S	*	.			trans	-59.8	116.1	166.1	25.1	-30	0	0	0	105.4	S302 I306	S302-P304 WeakPolarHBondContact O-CD 3.49Å; P304-I306 HydrophobicContact CB-CG1 4.44Å; P304-I306 HydrophobicContact CG-CG1 4.42Å; P304-I306 PolarHBondContact O-N 3.42Å
305	T	50.8	Low	70.2	Confident	134 Å²	134	97.3 Å²	97.3	82%	0.822	56%	0.56	S	S	*	*			trans	-62.8	80.6	159.2	-41.6	0	0	0	0	105.2	Q303 P307	Q303-T305 PolarHBondContact O-N 3.17Å; T305-P307 WeakPolarHBondContact O-CD 3.18Å
306	I	54.2	Low	69.5	Low	99 Å²	99	98 Å²	98	51%	0.508	56%	0.564	S	S	.	*			trans	-52.3	120.3	167.6	-63.5	175	0	0	0	103.2	P304 I308 I311	P304-I306 HydrophobicContact CB-CG1 4.44Å; P304-I306 HydrophobicContact CG-CG1 4.42Å; P304-I306 PolarHBondContact O-N 3.42Å; I306-I308 HydrophobicContact CB-CG1 4.49Å; I306-I308 HydrophobicContact CG2-CG1 4.3Å; I306-I308 PolarHBondContact O-N 2.92Å; I306-I311 HydrophobicContact CG2-CD1 3.8Å
307	P	55.4	Low	68.8	Low	86 Å²	86	101.9 Å²	101.9	56%	0.558	58%	0.584	S	S	*	*			trans	-74.2	77.3	-177.2	30.4	-32.7	0	0	0	106.8	T305 V309 G310 I311	T305-P307 WeakPolarHBondContact O-CD 3.18Å; P307-V309 PolarHBondContact O-N 3.29Å; P307-V309 VanDerWaalsContact O-N 3.13Å; P307-G310 WeakPolarHBondContact O-CA 3.41Å; P307-G310 PolarHBondContact O-N 3.24Å; P307-I311 PolarHBondContact O-N 2.74Å; P307-I311 VanDerWaalsContact O-N 3.1Å
308	I	60.1	Low	68.2	Low	112 Å²	112	101.9 Å²	101.9	57%	0.574	59%	0.589	S	S	*	*	H	α-helix	trans	-54.1	-34.9	179	-68.2	167.4	0	0	0	108.6	I306 I311 I312	I306-I308 HydrophobicContact CB-CG1 4.49Å; I306-I308 HydrophobicContact CG2-CG1 4.3Å; I306-I308 PolarHBondContact O-N 2.92Å; I308-I311 PolarHBondContact O-N 2.62Å; I308-I312 HydrophobicContact CG2-CD1 3.68Å; I308-I312 HydrophobicContact CG2-CG1 4.38Å; I308-I312 WeakPolarHBondContact O-CB 3.37Å; I308-I312 WeakPolarHBondContact O-CD1 3.19Å; I308-I312 WeakPolarHBondContact O-CG1 3.26Å; I308-I312 PolarHBondContact O-N 3.25Å
309	V	58.9	Low	67.7	Low	121 Å²	121	101.6 Å²	101.6	73%	0.733	60%	0.6	S	S	*	*	H	α-helix	trans	-62.4	-41.4	173.8	-176.2	0	0	0	0	112.6	P307 A313	P307-V309 PolarHBondContact O-N 3.29Å; P307-V309 VanDerWaalsContact O-N 3.13Å; V309-A313 WeakPolarHBondContact O-CB 3.22Å; V309-A313 PolarHBondContact O-N 3.36Å
310	G	67.4	Low	67.5	Low	44 Å²	44	96.8 Å²	96.8	45%	0.454	59%	0.589	S	S	.	*	H	α-helix	trans	-69.5	-37.5	178.9	0	0	0	0	0	112.9	P307 G314	P307-G310 WeakPolarHBondContact O-CA 3.41Å; P307-G310 PolarHBondContact O-N 3.24Å; G310-G314 PolarHBondContact O-N 3.33Å
311	I	72.9	Confident	67.8	Low	94 Å²	94	97.9 Å²	97.9	48%	0.482	59%	0.594	S	S	.	*	H	α-helix	trans	-68.7	-43.1	175.8	-61.9	173.4	0	0	0	110.6	I306 P307 I308 G314 L315	I306-I311 HydrophobicContact CG2-CD1 3.8Å; P307-I311 PolarHBondContact O-N 2.74Å; P307-I311 VanDerWaalsContact O-N 3.1Å; I308-I311 PolarHBondContact O-N 2.62Å; I311-G314 PolarHBondContact O-N 3.06Å; I311-L315 HydrophobicContact CG2-CD1 3.97Å; I311-L315 HydrophobicContact CG2-CG 4.48Å; I311-L315 WeakPolarHBondContact O-CB 3.23Å; I311-L315 WeakPolarHBondContact O-CG 3.4Å; I311-L315 PolarHBondContact O-N 2.99Å
312	I	74	Confident	68.6	Low	97 Å²	97	99.6 Å²	99.6	50%	0.497	59%	0.589	S	S	.	*	H	α-helix	trans	-64.2	-46.7	177	-68	168	0	0	0	110.7	I308 G314 L315 V316	I308-I312 HydrophobicContact CG2-CD1 3.68Å; I308-I312 HydrophobicContact CG2-CG1 4.38Å; I308-I312 WeakPolarHBondContact O-CB 3.37Å; I308-I312 WeakPolarHBondContact O-CD1 3.19Å; I308-I312 WeakPolarHBondContact O-CG1 3.26Å; I308-I312 PolarHBondContact O-N 3.25Å; I312-G314 VanDerWaalsContact C-N 3.31Å; I312-G314 PolarHBondContact O-N 3.17Å; I312-L315 PolarHBondContact O-N 3.5Å; I312-V316 HydrophobicContact CG2-CG2 4.36Å; I312-V316 VanDerWaalsContact O-CG2 3.28Å; I312-V316 WeakPolarHBondContact O-CG2 3.36Å; I312-V316 PolarHBondContact O-N 2.98Å
313	A	75	Confident	70	Confident	50 Å²	50	96.8 Å²	96.8	41%	0.413	57%	0.572	S	S	.	*	H	α-helix	trans	-60.4	-42.1	176.9	0	0	0	0	0	111.8	V309 V316 L317	V309-A313 WeakPolarHBondContact O-CB 3.22Å; V309-A313 PolarHBondContact O-N 3.36Å; A313-V316 PolarHBondContact O-N 2.92Å; A313-L317 WeakPolarHBondContact O-CB 3.31Å; A313-L317 WeakPolarHBondContact O-CG 3.46Å; A313-L317 PolarHBondContact O-N 3.49Å
314	G	80.4	Confident	71.6	Confident	38 Å²	38	91 Å²	91	39%	0.392	56%	0.556	S	S	.	*	H	α-helix	trans	-61.1	-46.8	175.1	0	0	0	0	0	112.9	G310 I311 I312 L317 F318	G310-G314 PolarHBondContact O-N 3.33Å; I311-G314 PolarHBondContact O-N 3.06Å; I312-G314 VanDerWaalsContact C-N 3.31Å; I312-G314 PolarHBondContact O-N 3.17Å; G314-L317 PolarHBondContact O-N 2.91Å; G314-F318 WeakPolarHBondContact O-CB 3.49Å; G314-F318 PolarHBondContact O-N 3.41Å
315	L	84.4	Confident	73.3	Confident	120 Å²	120	88.8 Å²	88.8	63%	0.628	55%	0.546	S	S	*	.	H	α-helix	trans	-65.4	-39.3	178.6	-75.8	169.3	0	0	0	112.7	I311 I312 F318 G319	I311-L315 HydrophobicContact CG2-CD1 3.97Å; I311-L315 HydrophobicContact CG2-CG 4.48Å; I311-L315 WeakPolarHBondContact O-CB 3.23Å; I311-L315 WeakPolarHBondContact O-CG 3.4Å; I311-L315 PolarHBondContact O-N 2.99Å; I312-L315 PolarHBondContact O-N 3.5Å; L315-F318 PolarHBondContact O-N 2.92Å; L315-G319 PolarHBondContact O-N 3.22Å
316	V	82.6	Confident	74.6	Confident	98 Å²	98	85.8 Å²	85.8	59%	0.594	53%	0.527	S	S	*	.	H	α-helix	trans	-65.3	-44.8	176.5	171.5	0	0	0	0	110.9	I312 A313 G319 A320	I312-V316 HydrophobicContact CG2-CG2 4.36Å; I312-V316 VanDerWaalsContact O-CG2 3.28Å; I312-V316 WeakPolarHBondContact O-CG2 3.36Å; I312-V316 PolarHBondContact O-N 2.98Å; A313-V316 PolarHBondContact O-N 2.92Å; V316-G319 PolarHBondContact O-N 2.93Å; V316-A320 WeakPolarHBondContact O-CB 3.49Å; V316-A320 PolarHBondContact O-N 2.99Å
317	L	81.6	Confident	75.8	Confident	117 Å²	117	85.5 Å²	85.5	61%	0.613	53%	0.53	S	S	*	.	H	α-helix	trans	-62	-44.6	175.4	-82	163.2	0	0	0	111.6	A313 G314 G319 A320 V321	A313-L317 WeakPolarHBondContact O-CB 3.31Å; A313-L317 WeakPolarHBondContact O-CG 3.46Å; A313-L317 PolarHBondContact O-N 3.49Å; G314-L317 PolarHBondContact O-N 2.91Å; L317-G319 PolarHBondContact O-N 2.86Å; L317-A320 PolarHBondContact O-N 3.44Å; L317-V321 WeakPolarHBondContact O-CG2 3.4Å; L317-V321 PolarHBondContact O-N 3.26Å
318	F	80.6	Confident	76.7	Confident	157 Å²	157	84.2 Å²	84.2	69%	0.689	53%	0.527	S	S	*	.	H	α-helix	trans	-63.7	-42.5	178.9	-144	-89.2	0	0	0	111.5	G314 L315 V321 F322	G314-F318 WeakPolarHBondContact O-CB 3.49Å; G314-F318 PolarHBondContact O-N 3.41Å; L315-F318 PolarHBondContact O-N 2.92Å; F318-V321 PolarHBondContact O-N 3.42Å; F318-F322 VanDerWaalsContact O-CB 3.32Å; F318-F322 WeakPolarHBondContact O-CB 3.5Å; F318-F322 PolarHBondContact O-N 2.74Å
319	G	81.1	Confident	77.3	Confident	41 Å²	41	81.5 Å²	81.5	42%	0.423	52%	0.521	S	S	.	.	H	α-helix	trans	-61.1	-42.9	174.6	0	0	0	0	0	112.8	L315 V316 L317 F322 A323	L315-G319 PolarHBondContact O-N 3.22Å; V316-G319 PolarHBondContact O-N 2.93Å; L317-G319 PolarHBondContact O-N 2.86Å; G319-F322 PolarHBondContact O-N 3.35Å; G319-A323 VanDerWaalsContact O-CB 3.31Å; G319-A323 WeakPolarHBondContact O-CB 3.47Å; G319-A323 PolarHBondContact O-N 3.04Å
320	A	81.3	Confident	78	Confident	64 Å²	64	79.7 Å²	79.7	53%	0.529	51%	0.51	S	S	.	.	H	α-helix	trans	-65.6	-43.2	177.9	0	0	0	0	0	112.5	V316 L317 G324	V316-A320 WeakPolarHBondContact O-CB 3.49Å; V316-A320 PolarHBondContact O-N 2.99Å; L317-A320 PolarHBondContact O-N 3.44Å; A320-G324 PolarHBondContact O-N 3.05Å
321	V	82.4	Confident	78.2	Confident	103 Å²	103	86.9 Å²	86.9	62%	0.624	52%	0.523	S	S	*	.	H	α-helix	trans	-64	-44.1	176.2	172.8	0	0	0	0	110.7	L317 F318 G324 A325	L317-V321 WeakPolarHBondContact O-CG2 3.4Å; L317-V321 PolarHBondContact O-N 3.26Å; F318-V321 PolarHBondContact O-N 3.42Å; V321-G324 PolarHBondContact O-N 3.43Å; V321-A325 WeakPolarHBondContact O-CB 3.36Å; V321-A325 PolarHBondContact O-N 3.11Å
322	F	80.4	Confident	78.1	Confident	139 Å²	139	92 Å²	92	61%	0.61	54%	0.537	S	S	*	.	H	α-helix	trans	-65.1	-44.8	179.8	-159.6	-92.2	0	0	0	111.6	F318 G319 G324 A325 V326	F318-F322 VanDerWaalsContact O-CB 3.32Å; F318-F322 WeakPolarHBondContact O-CB 3.5Å; F318-F322 PolarHBondContact O-N 2.74Å; G319-F322 PolarHBondContact O-N 3.35Å; F322-G324 PolarHBondContact O-N 3.41Å; F322-A325 PolarHBondContact O-N 3.15Å; F322-V326 HydrophobicContact CD1-CG2 4.02Å; F322-V326 HydrophobicContact CE1-CG2 3.91Å; F322-V326 VanDerWaalsContact O-CG2 3.31Å; F322-V326 WeakPolarHBondContact O-CG2 3.37Å; F322-V326 PolarHBondContact O-N 3.13Å
323	A	78.2	Confident	77.7	Confident	54 Å²	54	97 Å²	97	45%	0.446	55%	0.55	S	S	.	.	H	α-helix	trans	-60.8	-43.6	174.4	0	0	0	0	0	111.7	G319 A325 V326 V327	G319-A323 VanDerWaalsContact O-CB 3.31Å; G319-A323 WeakPolarHBondContact O-CB 3.47Å; G319-A323 PolarHBondContact O-N 3.04Å; A323-A325 PolarHBondContact O-N 3.13Å; A323-V326 PolarHBondContact O-N 2.82Å; A323-V327 VanDerWaalsContact O-CG2 3.31Å; A323-V327 WeakPolarHBondContact O-CG2 3.33Å; A323-V327 PolarHBondContact O-N 3.46Å
324	G	78.3	Confident	77	Confident	40 Å²	40	103.9 Å²	103.9	41%	0.412	57%	0.565	S	S	.	*	H	α-helix	trans	-60.1	-44.3	175.1	0	0	0	0	0	112.9	A320 V321 F322 V327 A328	A320-G324 PolarHBondContact O-N 3.05Å; V321-G324 PolarHBondContact O-N 3.43Å; F322-G324 PolarHBondContact O-N 3.41Å; G324-V327 PolarHBondContact O-N 2.73Å; G324-A328 WeakPolarHBondContact O-CB 3.49Å; G324-A328 PolarHBondContact O-N 3.01Å
325	A	78.9	Confident	75.7	Confident	57 Å²	57	110.7 Å²	110.7	47%	0.471	58%	0.584	S	S	.	*	H	α-helix	trans	-64.4	-41.9	177.5	0	0	0	0	0	112.3	V321 F322 A323 A328 A329	V321-A325 WeakPolarHBondContact O-CB 3.36Å; V321-A325 PolarHBondContact O-N 3.11Å; F322-A325 PolarHBondContact O-N 3.15Å; A323-A325 PolarHBondContact O-N 3.13Å; A325-A328 PolarHBondContact O-N 3.25Å; A325-A329 WeakPolarHBondContact O-CB 3.32Å; A325-A329 PolarHBondContact O-N 2.69Å
326	V	79.6	Confident	74.2	Confident	70 Å²	70	108.5 Å²	108.5	42%	0.424	58%	0.578	S	S	.	*	H	α-helix	trans	-63.2	-45.5	175.7	171.7	0	0	0	0	110.8	F322 A323 A328 A329 V330	F322-V326 HydrophobicContact CD1-CG2 4.02Å; F322-V326 HydrophobicContact CE1-CG2 3.91Å; F322-V326 VanDerWaalsContact O-CG2 3.31Å; F322-V326 WeakPolarHBondContact O-CG2 3.37Å; F322-V326 PolarHBondContact O-N 3.13Å; A323-V326 PolarHBondContact O-N 2.82Å; V326-A328 VanDerWaalsContact C-N 3.35Å; V326-A328 PolarHBondContact O-N 2.97Å; V326-A329 PolarHBondContact O-N 3.18Å; V326-V330 HydrophobicContact CG1-CG2 4.35Å; V326-V330 WeakPolarHBondContact O-CB 3.36Å; V326-V330 VanDerWaalsContact O-CG2 3.28Å; V326-V330 WeakPolarHBondContact O-CG2 3.48Å; V326-V330 PolarHBondContact O-N 3.12Å
327	V	78.1	Confident	72.8	Confident	93 Å²	93	107.8 Å²	107.8	56%	0.564	58%	0.577	S	S	*	*	H	α-helix	trans	-61.8	-43.3	177	171.6	0	0	0	0	111	A323 G324 V330 R331	A323-V327 VanDerWaalsContact O-CG2 3.31Å; A323-V327 WeakPolarHBondContact O-CG2 3.33Å; A323-V327 PolarHBondContact O-N 3.46Å; G324-V327 PolarHBondContact O-N 2.73Å; V327-V330 PolarHBondContact O-N 3.32Å; V327-R331 VanDerWaalsContact O-CB 3.31Å; V327-R331 WeakPolarHBondContact O-CB 3.47Å; V327-R331 PolarHBondContact O-N 3.38Å
328	A	74.3	Confident	71.1	Confident	59 Å²	59	109.5 Å²	109.5	49%	0.488	59%	0.587	S	S	.	*	H	α-helix	trans	-62.6	-43.9	176.2	0	0	0	0	0	112.2	G324 A325 V326 R331 W332	G324-A328 WeakPolarHBondContact O-CB 3.49Å; G324-A328 PolarHBondContact O-N 3.01Å; A325-A328 PolarHBondContact O-N 3.25Å; V326-A328 VanDerWaalsContact C-N 3.35Å; V326-A328 PolarHBondContact O-N 2.97Å; A328-R331 PolarHBondContact O-N 2.69Å; A328-W332 WeakPolarHBondContact O-CB 2.9Å; A328-W332 PolarHBondContact O-N 2.81Å
329	A	73.8	Confident	69.4	Low	55 Å²	55	112.9 Å²	112.9	46%	0.455	60%	0.595	S	S	.	*	H	α-helix	trans	-65.1	-41.7	177.8	0	0	0	0	0	112.5	A325 V326 R331 W332 R333	A325-A329 WeakPolarHBondContact O-CB 3.32Å; A325-A329 PolarHBondContact O-N 2.69Å; V326-A329 PolarHBondContact O-N 3.18Å; A329-R331 VanDerWaalsContact C-N 3.35Å; A329-W332 PolarHBondContact O-N 3.19Å; A329-R333 PolarHBondContact O-N 2.78Å
330	V	73.8	Confident	67.4	Low	83 Å²	83	120.7 Å²	120.7	50%	0.503	62%	0.618	S	S	.	*	H	α-helix	trans	-64.2	-41.5	175.2	170.2	0	0	0	0	110.7	V326 V327 R333 R334	V326-V330 HydrophobicContact CG1-CG2 4.35Å; V326-V330 WeakPolarHBondContact O-CB 3.36Å; V326-V330 VanDerWaalsContact O-CG2 3.28Å; V326-V330 WeakPolarHBondContact O-CG2 3.48Å; V326-V330 PolarHBondContact O-N 3.12Å; V327-V330 PolarHBondContact O-N 3.32Å; V330-R333 PolarHBondContact O-N 3.24Å; V330-R334 PolarHBondContact O-N 3.3Å
331	R	71.4	Confident	65.2	Low	195 Å²	195	121.8 Å²	121.8	74%	0.736	64%	0.636	S	S	*	*	H	α-helix	trans	-67.8	-36.2	178.3	-151.5	175.1	178.3	125.1	0.3	111.7	V327 A328 A329 K335	V327-R331 VanDerWaalsContact O-CB 3.31Å; V327-R331 WeakPolarHBondContact O-CB 3.47Å; V327-R331 PolarHBondContact O-N 3.38Å; A328-R331 PolarHBondContact O-N 2.69Å; A329-R331 VanDerWaalsContact C-N 3.35Å; R331-K335 WeakPolarHBondContact O-CB 3.42Å; R331-K335 PolarHBondContact O-N 2.9Å
332	W	70.2	Confident	62.8	Low	203 Å²	203	120.6 Å²	120.6	77%	0.769	64%	0.644	S	S	*	*	H	α-helix	trans	-64.4	-48.1	170.8	-164.2	-31.8	0	0	0	110.9	A328 A329 R334 K335 S336	A328-W332 WeakPolarHBondContact O-CB 2.9Å; A328-W332 PolarHBondContact O-N 2.81Å; A329-W332 PolarHBondContact O-N 3.19Å; W332-R334 VanDerWaalsContact C-N 3.33Å; W332-R334 PolarHBondContact O-N 2.91Å; W332-K335 CarbonylContact O-C 3.56Å; W332-K335 PolarHBondContact O-N 3.19Å; W332-S336 PolarHBondContact O-N 3.07Å; W332-S336 PolarHBondContact O-OG 3.19Å
333	R	65.6	Low	60.5	Low	201 Å²	201	120 Å²	120	76%	0.758	66%	0.657	S	S	*	*	H	α-helix	trans	-57.2	-44.4	176.6	-90.2	-168.9	-177.6	-176.3	2.4	112.3	A329 V330 K335 S336 S337	A329-R333 PolarHBondContact O-N 2.78Å; V330-R333 PolarHBondContact O-N 3.24Å; R333-K335 VanDerWaalsContact C-N 3.31Å; R333-K335 PolarHBondContact O-N 3.32Å; R333-S336 WeakPolarHBondContact CA-OG 3.03Å; R333-S336 PolarHBondContact O-N 3.15Å; R333-S336 VanDerWaalsContact O-N 3.17Å; R333-S336 PolarHBondContact O-OG 2.66Å; R333-S337 PolarHBondContact O-N 3.06Å; R333-S337 PolarHBondContact O-OG 3.09Å
334	R	59.5	Low	58.4	Low	195 Å²	195	127.8 Å²	127.8	74%	0.736	68%	0.676	S	S	*	*	H	α-helix	trans	-60.7	-38	174.6	-105.8	-176.3	177.3	169.1	-0	112.8	V330 W332 S336 S337	V330-R334 PolarHBondContact O-N 3.3Å; W332-R334 VanDerWaalsContact C-N 3.33Å; W332-R334 PolarHBondContact O-N 2.91Å; R334-S336 VanDerWaalsContact C-N 3.34Å; R334-S337 PolarHBondContact O-OG 3.29Å
335	K	54.1	Low	56.3	Low	181 Å²	181	132 Å²	132	79%	0.787	70%	0.7	S	S	*	*	H	α-helix	trans	-73.5	-24.8	177.2	-160	175.2	-177.5	-177.8	0	113	R331 W332 R333	R331-K335 WeakPolarHBondContact O-CB 3.42Å; R331-K335 PolarHBondContact O-N 2.9Å; W332-K335 CarbonylContact O-C 3.56Å; W332-K335 PolarHBondContact O-N 3.19Å; R333-K335 VanDerWaalsContact C-N 3.31Å; R333-K335 PolarHBondContact O-N 3.32Å
336	S	52.6	Low	54.2	Low	74 Å²	74	138.1 Å²	138.1	52%	0.517	72%	0.719	S	S	.	*	H	α-helix	trans	-84.4	-23.3	175.3	61.7	0	0	0	0	114.3	W332 R333 R334	W332-S336 PolarHBondContact O-N 3.07Å; W332-S336 PolarHBondContact O-OG 3.19Å; R333-S336 WeakPolarHBondContact CA-OG 3.03Å; R333-S336 PolarHBondContact O-N 3.15Å; R333-S336 VanDerWaalsContact O-N 3.17Å; R333-S336 PolarHBondContact O-OG 2.66Å; R334-S336 VanDerWaalsContact C-N 3.34Å
337	S	52.3	Low	51.9	Low	82 Å²	82	139.3 Å²	139.3	57%	0.573	74%	0.736	S	S	*	*	H	α-helix	trans	-80.4	-18	177.8	55.2	0	0	0	0	113.9	R333 R334 R339	R333-S337 PolarHBondContact O-N 3.06Å; R333-S337 PolarHBondContact O-OG 3.09Å; R334-S337 PolarHBondContact O-OG 3.29Å; S337-R339 PolarHBondContact O-N 2.86Å
338	D	47	Very low	49.9	Very low	154 Å²	154	139.2 Å²	139.2	82%	0.824	75%	0.745	S	S	*	*	T	Hydrogen-bonded Turn	trans	-80	8.5	-180	-115.5	2.2	0	0	0	114.3
339	R	45.5	Very low	47.9	Very low	227 Å²	227	141.5 Å²	141.5	86%	0.857	76%	0.757	S	S	*	*	T	Hydrogen-bonded Turn	trans	-123.2	15.1	-174.9	-144.6	-179.4	179.5	167.3	0.8	116.3	S337	S337-R339 PolarHBondContact O-N 2.86Å
340	K	37.6	Very low	46.2	Very low	206 Å²	206	144.2 Å²	144.2	90%	0.896	77%	0.772	S	S	*	*			trans	-151.8	81	171.8	-105.9	173.8	-175.8	-177.1	0	111.7
341	G	36	Very low	44.6	Very low	87 Å²	87	147.7 Å²	147.7	90%	0.897	79%	0.788	S	S	*	*			trans	-87.7	135.5	156.4	0	0	0	0	0	109.7
342	G	32.5	Very low	43.2	Very low	78 Å²	78	143.8 Å²	143.8	80%	0.804	79%	0.791	S	S	*	*			trans	154.8	101.6	165.9	0	0	0	0	0	117.1
343	S	31.8	Very low	41.7	Very low	126 Å²	126	138.5 Å²	138.5	88%	0.881	79%	0.791	S	S	*	*			trans	95.2	131.1	140.6	-156.5	0	0	0	0	121.7
344	Y	33.7	Very low	40.5	Very low	217 Å²	217	138.3 Å²	138.3	85%	0.851	80%	0.798	S	S	*	*			trans	-62.3	153.8	177.7	-84.7	-105.6	0	0	0	115.6
345	S	34.2	Very low	39.3	Very low	129 Å²	129	131.8 Å²	131.8	90%	0.902	79%	0.792	S	S	*	*				-163.6	158	124	-1.7	0	0	0	0	112.2
346	Q	33.9	Very low	38.5	Very low	186 Å²	186	128.7 Å²	128.7	87%	0.869	79%	0.793	S	S	*	*			trans	-109.1	166.9	-163.2	-177.2	-179.1	2.2	0	0	111.7
347	A	33.1	Very low	37.8	Very low	95 Å²	95	131.8 Å²	131.8	79%	0.785	80%	0.804	S	S	*	*			trans	81.8	147.2	161.2	0	0	0	0	0	117.2
348	A	34.3	Very low	37	Very low	91 Å²	91	135 Å²	135	75%	0.752	81%	0.812	S	S	*	*			cis	-169.1	154.4	-11.9	0	0	0	0	0	109.5
349	S	33.9	Very low	36.6	Very low	107 Å²	107	132.2 Å²	132.2	75%	0.748	80%	0.804	S	S	*	*			trans	49.9	120.8	133.9	-174.6	0	0	0	0	122.9
350	S	37.8	Very low	36.4	Very low	111 Å²	111	129.5 Å²	129.5	78%	0.776	81%	0.806	S	S	*	*				159.8	112.3	114.7	46.5	0	0	0	0	109.1
351	D	38.7	Very low	36.6	Very low	157 Å²	157	125.6 Å²	125.6	84%	0.84	80%	0.8	S	S	*	*				77.3	118.3	72.6	-105.8	-3.8	0	0	0	116.4
352	S	42.1	Very low	36.7	Very low	112 Å²	112	125.7 Å²	125.7	78%	0.783	79%	0.791	S	S	*	*			trans	157.9	104.5	139.6	39.7	0	0	0	0	108.9
353	A	39.8	Very low	36.8	Very low	93 Å²	93	127.6 Å²	127.6	77%	0.769	79%	0.791	S	S	*	*				68.9	136.9	78	0	0	0	0	0	111.9
354	Q	40.2	Very low	37.2	Very low	196 Å²	196	130.8 Å²	130.8	92%	0.916	79%	0.789	S	S	*	*			cis	-177.6	160.6	19	-142	170.3	-5.7	0	0	109.5
355	G	33.3	Very low	37.7	Very low	59 Å²	59	130.5 Å²	130.5	61%	0.608	81%	0.81	S	S	*	*			trans	118	96	150.6	0	0	0	0	0	115.7
356	S	39.1	Very low	37.9	Very low	116 Å²	116	130.6 Å²	130.6	81%	0.811	81%	0.805	S	S	*	*				74.7	134.1	81.5	67.2	0	0	0	0	112.4
357	D	37.8	Very low	38.1	Very low	139 Å²	139	127.6 Å²	127.6	74%	0.743	80%	0.802	S	S	*	*			cis	-170.9	163.1	5.2	-143	-14.2	0	0	0	109.4
358	M	35.2	Very low	38.4	Very low	150 Å²	150	129.4 Å²	129.4	74%	0.739	80%	0.802	S	S	*	*			trans	57.3	112.3	145.2	-70.1	-110.9	175.2	0	0	124.3
359	S	38.4	Very low	38.6	Very low	95 Å²	95	131.7 Å²	131.7	66%	0.664	81%	0.805	S	S	*	*				74.2	131.2	108.7	-51.5	0	0	0	0	123.1
360	L	40.4	Very low	38.9	Very low	169 Å²	169	133.3 Å²	133.3	89%	0.885	81%	0.809	S	S	*	*			trans	124.9	140.4	131.3	-85.7	163.5	0	0	0	118.9
361	T	42	Very low	39	Very low	125 Å²	125	134.7 Å²	134.7	77%	0.767	81%	0.811	S	S	*	*			trans	-96.9	155.3	-165.9	-32.2	0	0	0	0	111.1
362	A	37.7	Very low	39	Very low	88 Å²	88	133.1 Å²	133.1	73%	0.727	81%	0.809	S	S	*	*			trans	85.9	130.8	142.9	0	0	0	0	0	122.4
363	C	36.2	Very low	38.7	Very low	119 Å²	119	134.8 Å²	134.8	80%	0.804	81%	0.811	S	S	*	*			trans	85.3	105.8	141.2	-78.2	0	0	0	0	122.3
364	K	39.7	Very low	38.6	Very low	193 Å²	193	138.3 Å²	138.3	84%	0.839	82%	0.815	S	S	*	*				78.6	113.4	113.7	-151.6	177.3	-168	177.1	0	119.1
365	V	43.7	Very low	38.5	Very low	210 Å²	210	133 Å²	133	100%	1.273	81%	0.806	S	S	*	*				-135.4	0	118.4	176.1	0	0	0	0	107.7

Retrieved 365 of 365 residues in 107.4 ms (Link to these results)

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