A0A060IP86_HUMAN Loading...

MHC class I antigen

AlphaFold DB , UniProt , Accession A0A060IP86, Species HUMAN (Homo sapiens, Human), Gene HLA-B, Length 348 aa.

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(Predicted Aligned Error values between residue pairs)

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Site	Residue	pLDDT	pLDDT confidence	pLDDT₁₀	pLDDT10 confidence	SASA	SASA [Å²]	SASA₁₀	SASA10 [Å²]	RSA	RSA unformatted	RSA₁₀	RSA10 unformatted	Surface	Surface10 (not used)	Disorder (not used)	Disorder	Sec. str.	Secondary structure	Isomer	Phi (φ)	Psi (ψ)	Omega (ω)	Chi 1 (χ₁)	Chi 2 (χ₂)	Chi 3 (χ₃)	Chi 4 (χ₄)	Chi 5 (χ₅)	Tau (τ)	Contacts (colored by PAE)	Contact details
1	M	33.8	Very low	40.8	Very low	241 Å²	241	139 Å²	139	100%	1.187	71%	0.713	S	S	*	*				0	100.1	0	-71.5	166.5	179.2	0	0	108
2	R	31.8	Very low	41	Very low	243 Å²	243	138.5 Å²	138.5	92%	0.917	71%	0.712	S	S	*	*			trans	-95.6	106.9	169.3	-92.1	-179.1	174.3	165.8	-2	106.2	T4	R2-T4 PolarHBondContact O-N 3.05Å; R2-T4 VanDerWaalsContact O-N 3.12Å
3	V	34.7	Very low	40.8	Very low	140 Å²	140	135.5 Å²	135.5	85%	0.848	70%	0.697	S	S	*	*			trans	-72.8	100.3	170.4	179.2	0	0	0	0	106.3	A5	V3-A5 PolarHBondContact O-N 3.24Å
4	T	40.9	Very low	40.3	Very low	127 Å²	127	139.3 Å²	139.3	78%	0.779	70%	0.698	S	S	*	*			trans	-75.6	102.7	167.5	41	0	0	0	0	107.6	R2	R2-T4 PolarHBondContact O-N 3.05Å; R2-T4 VanDerWaalsContact O-N 3.12Å
5	A	41.7	Very low	40.4	Very low	59 Å²	59	132.4 Å²	132.4	49%	0.488	68%	0.677	S	S	.	*			trans	-60.2	138.7	166.1	0	0	0	0	0	109.1	V3 R7 L10	V3-A5 PolarHBondContact O-N 3.24Å; A5-R7 PolarHBondContact O-N 3.45Å; A5-L10 HydrophobicContact CB-CD1 4.38Å
6	P	42.5	Very low	40.5	Very low	75 Å²	75	126.8 Å²	126.8	49%	0.487	66%	0.657	S	S	.	*			trans	-66.2	126.7	-177.3	24.5	-29.2	0	0	0	109.8	T8 L9	P6-T8 PolarHBondContact O-N 3.43Å; P6-L9 HydrophobicContact CG-CB 4.31Å; P6-L9 PolarHBondContact O-N 3.22Å
7	R	45.4	Very low	40.6	Very low	220 Å²	220	123.8 Å²	123.8	83%	0.83	65%	0.645	S	S	*	*	H	α-helix	trans	-51.8	-24.9	-179.1	-95.6	177.3	155	129.4	-6.4	114.1	A5 L11	A5-R7 PolarHBondContact O-N 3.45Å; R7-L11 PolarHBondContact O-N 3.41Å
8	T	47.9	Very low	40.5	Very low	99 Å²	99	119.9 Å²	119.9	61%	0.607	63%	0.634	S	S	*	*	H	α-helix	trans	-69.3	-34.9	175.9	35	0	0	0	0	113.3	P6 L11 L12	P6-T8 PolarHBondContact O-N 3.43Å; T8-L11 PolarHBondContact O-N 2.99Å; T8-L12 PolarHBondContact O-N 3.09Å
9	L	42.2	Very low	40.6	Very low	106 Å²	106	118 Å²	118	56%	0.555	62%	0.623	S	S	*	*	H	α-helix	trans	-70.1	-35.5	177.4	-136.2	99.8	0	0	0	111.5	P6 L13	P6-L9 HydrophobicContact CG-CB 4.31Å; P6-L9 PolarHBondContact O-N 3.22Å; L9-L13 HydrophobicContact CD2-CD1 4.42Å; L9-L13 WeakPolarHBondContact O-CB 3.28Å; L9-L13 WeakPolarHBondContact O-CD1 3.44Å; L9-L13 WeakPolarHBondContact O-CG 3.47Å; L9-L13 PolarHBondContact O-N 3.48Å
10	L	40.7	Very low	40.6	Very low	89 Å²	89	116.2 Å²	116.2	47%	0.466	62%	0.617	S	S	.	*	H	α-helix	trans	-66.4	-38.8	176.6	-103.9	106	0	0	0	112.2	A5 W14	A5-L10 HydrophobicContact CB-CD1 4.38Å; L10-W14 PolarHBondContact O-N 3.33Å
11	L	46.7	Very low	40.6	Very low	130 Å²	130	117.8 Å²	117.8	68%	0.681	62%	0.621	S	S	*	*	H	α-helix	trans	-70.3	-38.8	-179.8	-72.6	166.2	0	0	0	112.6	R7 T8 W14 G15	R7-L11 PolarHBondContact O-N 3.41Å; T8-L11 PolarHBondContact O-N 2.99Å; L11-W14 PolarHBondContact O-N 3.28Å; L11-G15 PolarHBondContact O-N 2.85Å
12	L	44.2	Very low	41.1	Very low	133 Å²	133	110.7 Å²	110.7	70%	0.696	59%	0.591	S	S	*	*	H	α-helix	trans	-66.7	-38.7	175.4	-74	167.3	0	0	0	112.2	T8 G15 A16	T8-L12 PolarHBondContact O-N 3.09Å; L12-G15 PolarHBondContact O-N 2.93Å; L12-A16 WeakPolarHBondContact O-CB 3.31Å; L12-A16 PolarHBondContact O-N 3.34Å
13	L	38	Very low	42	Very low	100 Å²	100	101.2 Å²	101.2	52%	0.524	56%	0.556	S	S	.	*	H	α-helix	trans	-65.4	-37.7	174	-78.4	162.7	0	0	0	111.8	L9 V17	L9-L13 HydrophobicContact CD2-CD1 4.42Å; L9-L13 WeakPolarHBondContact O-CB 3.28Å; L9-L13 WeakPolarHBondContact O-CD1 3.44Å; L9-L13 WeakPolarHBondContact O-CG 3.47Å; L9-L13 PolarHBondContact O-N 3.48Å; L13-V17 VanDerWaalsContact O-CB 3.3Å; L13-V17 WeakPolarHBondContact O-CB 3.47Å; L13-V17 WeakPolarHBondContact O-CG2 3.35Å; L13-V17 PolarHBondContact O-N 3.47Å
14	W	33.3	Very low	43	Very low	188 Å²	188	97.3 Å²	97.3	71%	0.712	54%	0.538	S	S	*	.	H	α-helix	trans	-72.3	-36.3	177.2	-77.8	46.6	0	0	0	112.4	L10 L11 A18	L10-W14 PolarHBondContact O-N 3.33Å; L11-W14 PolarHBondContact O-N 3.28Å; W14-A18 WeakPolarHBondContact O-CB 3.42Å; W14-A18 PolarHBondContact O-N 3.3Å
15	G	41.7	Very low	44.6	Very low	36 Å²	36	92.7 Å²	92.7	37%	0.371	52%	0.516	S	S	.	.	H	α-helix	trans	-63.5	-44.9	172.3	0	0	0	0	0	112.5	L11 L12 L19	L11-G15 PolarHBondContact O-N 2.85Å; L12-G15 PolarHBondContact O-N 2.93Å; G15-L19 WeakPolarHBondContact O-CB 3.47Å; G15-L19 WeakPolarHBondContact O-CD1 3.22Å; G15-L19 PolarHBondContact O-N 2.89Å; G15-L19 VanDerWaalsContact O-N 3.15Å
16	A	43.3	Very low	46.9	Very low	43 Å²	43	92.4 Å²	92.4	36%	0.355	51%	0.511	S	S	.	.	H	α-helix	trans	-67.5	-41.2	177.2	0	0	0	0	0	112.7	L12 T20	L12-A16 WeakPolarHBondContact O-CB 3.31Å; L12-A16 PolarHBondContact O-N 3.34Å; A16-T20 WeakPolarHBondContact O-CG2 3.36Å; A16-T20 PolarHBondContact O-N 2.88Å; A16-T20 PolarHBondContact O-OG1 3.36Å
17	V	41.5	Very low	49.5	Very low	75 Å²	75	90.4 Å²	90.4	46%	0.455	49%	0.494	S	S	.	.	H	α-helix	trans	-68.8	-42	178.6	172.5	0	0	0	0	111.6	L13 L19 T20 E21	L13-V17 VanDerWaalsContact O-CB 3.3Å; L13-V17 WeakPolarHBondContact O-CB 3.47Å; L13-V17 WeakPolarHBondContact O-CG2 3.35Å; L13-V17 PolarHBondContact O-N 3.47Å; V17-L19 VanDerWaalsContact C-N 3.31Å; V17-L19 PolarHBondContact O-N 3.43Å; V17-T20 WeakPolarHBondContact CA-OG1 3.48Å; V17-T20 PolarHBondContact O-N 3.46Å; V17-T20 PolarHBondContact O-OG1 3.42Å; V17-E21 PolarHBondContact O-N 2.91Å
18	A	39.3	Very low	52	Low	54 Å²	54	81 Å²	81	45%	0.446	46%	0.463	S	S	.	.	H	α-helix	trans	-66.7	-30.9	177.9	0	0	0	0	0	113	W14 T22	W14-A18 WeakPolarHBondContact O-CB 3.42Å; W14-A18 PolarHBondContact O-N 3.3Å; A18-T22 VanDerWaalsContact O-CG2 3.25Å; A18-T22 WeakPolarHBondContact O-CG2 3.32Å; A18-T22 PolarHBondContact O-N 3.47Å; A18-T22 PolarHBondContact O-OG1 3.29Å
19	L	40.8	Very low	54.4	Low	84 Å²	84	76.3 Å²	76.3	44%	0.44	43%	0.434	S	S	.	.	H	α-helix	trans	-75.5	-38.3	172.4	-85.1	154.1	0	0	0	111.7	G15 V17 E21 T22 W23	G15-L19 WeakPolarHBondContact O-CB 3.47Å; G15-L19 WeakPolarHBondContact O-CD1 3.22Å; G15-L19 PolarHBondContact O-N 2.89Å; G15-L19 VanDerWaalsContact O-N 3.15Å; V17-L19 VanDerWaalsContact C-N 3.31Å; V17-L19 PolarHBondContact O-N 3.43Å; L19-E21 PolarHBondContact O-N 3.49Å; L19-T22 WeakPolarHBondContact CA-OG1 3.29Å; L19-T22 PolarHBondContact O-N 2.92Å; L19-T22 PolarHBondContact O-OG1 2.89Å; L19-W23 PolarHBondContact O-NE1 2.93Å
20	T	40.9	Very low	57.1	Low	82 Å²	82	73.8 Å²	73.8	50%	0.503	42%	0.417	S	S	.	.	H	α-helix	trans	-69.5	-32.7	176.2	51.1	0	0	0	0	113.6	A16 V17	A16-T20 WeakPolarHBondContact O-CG2 3.36Å; A16-T20 PolarHBondContact O-N 2.88Å; A16-T20 PolarHBondContact O-OG1 3.36Å; V17-T20 WeakPolarHBondContact CA-OG1 3.48Å; V17-T20 PolarHBondContact O-N 3.46Å; V17-T20 PolarHBondContact O-OG1 3.42Å
21	E	40.2	Very low	59.8	Low	149 Å²	149	70 Å²	70	70%	0.696	40%	0.396	S	S	*	.	H	α-helix	trans	-75.1	-25.3	176.5	-81.6	-171.1	155.9	0	0	113.2	V17 L19	V17-E21 PolarHBondContact O-N 2.91Å; L19-E21 PolarHBondContact O-N 3.49Å
22	T	45.8	Very low	62.3	Low	92 Å²	92	67.7 Å²	67.7	56%	0.564	38%	0.381	S	S	*	.	H	α-helix	trans	-78.9	-16.9	-178.4	41.3	0	0	0	0	114	A18 L19	A18-T22 VanDerWaalsContact O-CG2 3.25Å; A18-T22 WeakPolarHBondContact O-CG2 3.32Å; A18-T22 PolarHBondContact O-N 3.47Å; A18-T22 PolarHBondContact O-OG1 3.29Å; L19-T22 WeakPolarHBondContact CA-OG1 3.29Å; L19-T22 PolarHBondContact O-N 2.92Å; L19-T22 PolarHBondContact O-OG1 2.89Å
23	W	49.6	Very low	64.9	Low	45 Å²	45	61.9 Å²	61.9	17%	0.17	35%	0.35	C	S	.	.	H	α-helix	trans	-95.6	-31.1	-172.6	-69.6	44.6	0	0	0	113.2	L19 G25 E236 E288	L19-W23 PolarHBondContact O-NE1 2.93Å; W23-G25 PolarHBondContact O-N 3.29Å; W23-G25 VanDerWaalsContact O-N 3.13Å; W23-E236 HydrophobicContact CD2-CG 4.5Å; W23-E236 HydrophobicContact CE3-CB 4.28Å; W23-E236 HydrophobicContact CE3-CG 4.05Å; W23-E236 HydrophobicContact CH2-CB 3.97Å; W23-E236 HydrophobicContact CH2-CG 3.15Å; W23-E236 HydrophobicContact CZ2-CG 3.56Å; W23-E236 HydrophobicContact CZ3-CB 3.68Å; W23-E236 HydrophobicContact CZ3-CG 3.37Å; W23-E236 WeakPolarHBondContact CZ3-O 3.35Å; W23-E288 HydrophobicContact CB-CG 4.46Å; W23-E288 HydrophobicContact CE3-CB 4.25Å
24	A	57.2	Low	67.8	Low	57 Å²	57	58.6 Å²	58.6	47%	0.471	33%	0.334	S	S	.	.	T	Hydrogen-bonded Turn	trans	-72.9	109.5	-176.9	0	0	0	0	0	111.4
25	G	73.1	Confident	70.9	Confident	31 Å²	31	49.7 Å²	49.7	32%	0.32	30%	0.301	S	S	.	.	T	Hydrogen-bonded Turn	trans	90	8.3	163.1	0	0	0	0	0	116.9	W23 P129	W23-G25 PolarHBondContact O-N 3.29Å; W23-G25 VanDerWaalsContact O-N 3.13Å; G25-P129 WeakPolarHBondContact O-CA 3.39Å
26	S	90.8	Very high	73.6	Confident	53 Å²	53	50.7 Å²	50.7	37%	0.371	30%	0.296	S	S	.	.			trans	-83.2	142.7	165.6	71.7	0	0	0	0	110.6	L127	S26-L127 VanDerWaalsContact CA-O 3.3Å; S26-L127 WeakPolarHBondContact CA-O 3.37Å; S26-L127 WeakPolarHBondContact CB-O 3.45Å
27	H	96.1	Very high	76.2	Confident	32 Å²	32	49.4 Å²	49.4	15%	0.148	28%	0.284	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-137.8	154.9	-179.4	-68.8	-75.9	0	0	0	111	D53 D126 L127 L192 L196	H27-D53 VanDerWaalsContact CA-OD1 3.24Å; H27-D53 WeakPolarHBondContact CA-OD1 3.45Å; H27-D53 IonicContact CE1-OD2 3.87Å; H27-D53 IonicContact CG-OD2 3.68Å; H27-D53 IonicContact ND1-OD1 3.07Å; H27-D53 IonicContact ND1-OD2 3.32Å; H27-D53 PolarHBondContact ND1-OD2 3.19Å; H27-D126 CarbonylContact O-C 3.56Å; H27-D126 WeakPolarHBondContact O-CA 3.33Å; H27-L127 PolarHBondContact N-O 3.45Å; H27-L127 VanDerWaalsContact N-O 3.12Å; H27-L127 PolarHBondContact O-N 2.9Å; H27-L192 HydrophobicContact CB-CD1 4.49Å; H27-L196 HydrophobicContact CB-CD1 3.71Å; H27-L196 HydrophobicContact CB-CD2 4.02Å; H27-L196 HydrophobicContact CB-CG 4.44Å; H27-L196 WeakPolarHBondContact ND1-CD2 3.42Å
28	S	97.9	Very high	78.7	Confident	23 Å²	23	49.3 Å²	49.3	16%	0.161	28%	0.276	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-134.2	150.5	178.8	66.5	0	0	0	0	112.2	V52 D53 C125 D126	S28-V52 CarbonylContact O-C 3.57Å; S28-V52 VanDerWaalsContact O-CA 3.3Å; S28-V52 WeakPolarHBondContact O-CA 3.44Å; S28-D53 PolarHBondContact N-OD1 2.94Å; S28-D53 PolarHBondContact O-N 3.35Å; S28-C125 WeakPolarHBondContact CA-O 3.27Å; S28-D126 VanDerWaalsContact CB-OD1 3.23Å; S28-D126 WeakPolarHBondContact CB-OD1 3.49Å
29	M	98.6	Very high	81.3	Confident	1 Å²	1	49.3 Å²	49.3	1%	0.005	27%	0.271	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-123.1	121.5	167.4	-177.5	173	62.1	0	0	108.3	Y31 Y51 V52 F57 G124 C125 C188 W191 L192 Y195	M29-Y31 HydrophobicContact CE-CE2 4.28Å; M29-Y31 HydrophobicContact CG-CE2 4.19Å; M29-Y31 HydrophobicContact SD-CE2 4.04Å; M29-Y51 CarbonylContact C-O 3.53Å; M29-Y51 WeakPolarHBondContact CA-O 3.32Å; M29-V52 HydrophobicContact CG-CG2 4.4Å; M29-F57 HydrophobicContact CG-CE1 4.43Å; M29-F57 HydrophobicContact SD-CZ 4.32Å; M29-G124 CarbonylContact O-C 3.59Å; M29-G124 WeakPolarHBondContact O-CA 3.48Å; M29-C125 PolarHBondContact N-O 2.88Å; M29-C125 PolarHBondContact O-N 3.44Å; M29-C188 HydrophobicContact CE-CB 4.17Å; M29-C188 VanDerWaalsContact CE-O 3.24Å; M29-C188 WeakPolarHBondContact CE-O 3.39Å; M29-C188 WeakPolarHBondContact CE-SG 3.31Å; M29-W191 HydrophobicContact CE-CB 4.06Å; M29-W191 HydrophobicContact SD-CB 4.42Å; M29-L192 HydrophobicContact CB-CB 4.05Å; M29-L192 HydrophobicContact CB-CD1 4.03Å; M29-L192 HydrophobicContact CB-CD2 3.98Å; M29-L192 HydrophobicContact CB-CG 4.24Å; M29-L192 HydrophobicContact CE-CB 4.42Å; M29-Y195 HydrophobicContact SD-CD2 3.75Å; M29-Y195 HydrophobicContact SD-CE2 3.51Å; M29-Y195 VanDerWaalsContact SD-CE2 3.51Å
30	R	98.7	Very high	83.7	Confident	53 Å²	53	49.6 Å²	49.6	20%	0.2	30%	0.295	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-129.3	135.8	-177	-57.1	-61.8	-175.5	75.1	5	110.9	F32 G50 Y51 D126 H137	R30-F32 HydrophobicContact CB-CD2 4.44Å; R30-F32 HydrophobicContact CB-CE2 3.61Å; R30-F32 HydrophobicContact CB-CZ 3.89Å; R30-G50 WeakPolarHBondContact O-CA 3.39Å; R30-Y51 PolarHBondContact N-O 3.29Å; R30-Y51 PolarHBondContact O-N 2.9Å; R30-D126 IonicContact CZ-OD1 3.61Å; R30-D126 IonicContact NE-OD1 4Å; R30-D126 PolarHBondContact NE-OD1 2.89Å; R30-D126 VanDerWaalsContact NH2-CG 3.28Å; R30-D126 IonicContact NH2-OD1 2.99Å; R30-D126 PolarHBondContact NH2-OD1 3.14Å; R30-D126 IonicContact NH2-OD2 3.92Å; R30-D126 PolarHBondContact NH2-OD2 3.39Å; R30-H137 PolarHBondContact NH2-NE2 3.25Å; R30-H137 VanDerWaalsContact NH2-NE2 3.1Å
31	Y	98.8	Very high	86.1	Confident	9 Å²	9	55.7 Å²	55.7	4%	0.035	31%	0.309	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-112.1	134.6	169.2	-72.5	-87.1	0	0	0	109.9	M29 V49 F57 V58 M122 Y123	M29-Y31 HydrophobicContact CE-CE2 4.28Å; M29-Y31 HydrophobicContact CG-CE2 4.19Å; M29-Y31 HydrophobicContact SD-CE2 4.04Å; Y31-V49 WeakPolarHBondContact CA-O 3.49Å; Y31-F57 HydrophobicContact CE1-CZ 4.04Å; Y31-F57 HydrophobicContact CE2-CZ 4.5Å; Y31-F57 AromaticContact CZ-CZ 3.74Å; Y31-F57 WeakPolarHBondContact OH-CZ 3.19Å; Y31-V58 HydrophobicContact CE1-CG2 3.92Å; Y31-M122 WeakPolarHBondContact O-CA 3.47Å; Y31-Y123 VanDerWaalsContact CB-CZ 3.5Å; Y31-Y123 AromaticContact CD2-CE2 3.91Å; Y31-Y123 HydrophobicContact CD2-CE2 3.91Å; Y31-Y123 AromaticContact CD2-CZ 3.76Å; Y31-Y123 HydrophobicContact CG-CE1 4.18Å; Y31-Y123 HydrophobicContact CG-CE2 4.38Å; Y31-Y123 AromaticContact CG-CZ 3.78Å; Y31-Y123 PolarHBondContact N-O 3.47Å; Y31-Y123 PolarHBondContact O-N 3.36Å; Y31-Y123 VanDerWaalsContact O-N 3.14Å
32	F	98.8	Very high	88.6	Confident	82 Å²	82	51.4 Å²	51.4	36%	0.36	30%	0.304	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-118.9	116.2	179.1	-58.6	-93.1	0	0	0	109.3	R30 T48 V49 Y51 R121 M122	R30-F32 HydrophobicContact CB-CD2 4.44Å; R30-F32 HydrophobicContact CB-CE2 3.61Å; R30-F32 HydrophobicContact CB-CZ 3.89Å; F32-T48 VanDerWaalsContact O-CA 3.31Å; F32-T48 WeakPolarHBondContact O-CA 3.45Å; F32-V49 HydrophobicContact CB-CG2 3.87Å; F32-V49 HydrophobicContact CD2-CG2 4.31Å; F32-V49 PolarHBondContact N-O 3.03Å; F32-V49 PolarHBondContact O-N 2.94Å; F32-Y51 HydrophobicContact CD2-CD2 4.1Å; F32-Y51 HydrophobicContact CE2-CD2 4.12Å; F32-R121 CarbonylContact C-O 3.6Å; F32-R121 WeakPolarHBondContact CA-O 3.38Å; F32-M122 HydrophobicContact CD1-CB 4.01Å; F32-M122 HydrophobicContact CD1-CG 3.73Å; F32-M122 HydrophobicContact CE1-CB 4.09Å; F32-M122 HydrophobicContact CE1-CG 3.38Å; F32-M122 HydrophobicContact CZ-CG 4Å
33	Y	98.6	Very high	90.9	Very high	10 Å²	10	51.1 Å²	51.1	4%	0.039	30%	0.296	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-104	138.3	176.7	-61.8	-0.2	0	0	0	109	F46 I47 T48 N94 Y98 Q120 R121 Y123	Y33-F46 HydrophobicContact CD1-CZ 4.34Å; Y33-F46 HydrophobicContact CD2-CE2 4.08Å; Y33-F46 AromaticContact CD2-CZ 3.82Å; Y33-F46 HydrophobicContact CD2-CZ 3.82Å; Y33-F46 HydrophobicContact CE2-CZ 4.26Å; Y33-F46 HydrophobicContact CG-CE2 4.12Å; Y33-F46 AromaticContact CG-CZ 3.84Å; Y33-F46 HydrophobicContact CG-CZ 3.84Å; Y33-I47 CarbonylContact C-O 3.58Å; Y33-I47 WeakPolarHBondContact CA-O 3.49Å; Y33-T48 WeakPolarHBondContact CD1-OG1 3.19Å; Y33-T48 HydrophobicContact CE1-CG2 4.41Å; Y33-T48 WeakPolarHBondContact CE1-OG1 3.16Å; Y33-N94 HydrophobicContact CE2-CB 4.48Å; Y33-N94 VanDerWaalsContact CE2-ND2 3.35Å; Y33-N94 WeakPolarHBondContact CE2-ND2 3.46Å; Y33-N94 PolarHBondContact OH-ND2 2.78Å; Y33-Y98 AromaticContact CD2-CE2 3.75Å; Y33-Y98 HydrophobicContact CD2-CE2 3.75Å; Y33-Y98 AromaticContact CD2-CZ 3.88Å; Y33-Y98 HydrophobicContact CE2-CE2 4.43Å; Y33-Q120 CarbonylContact O-C 3.58Å; Y33-Q120 VanDerWaalsContact O-CA 3.26Å; Y33-Q120 WeakPolarHBondContact O-CA 3.35Å; Y33-R121 PolarHBondContact N-O 3.37Å; Y33-R121 PolarHBondContact O-N 2.95Å; Y33-Y123 HydrophobicContact CD1-CE1 4.22Å; Y33-Y123 HydrophobicContact CD2-CE1 4.48Å; Y33-Y123 AromaticContact CE1-CE1 3.56Å; Y33-Y123 HydrophobicContact CE1-CE1 3.56Å; Y33-Y123 AromaticContact CE2-CE1 3.88Å; Y33-Y123 HydrophobicContact CE2-CE1 3.88Å; Y33-Y123 AromaticContact CZ-CE1 3.4Å; Y33-Y123 AromaticContact CZ-CZ 3.86Å; Y33-Y123 PolarHBondContact OH-OH 3.21Å
34	T	98.8	Very high	93.1	Very high	32 Å²	32	50.1 Å²	50.1	20%	0.196	30%	0.296	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-134.5	120.7	173.6	-59.2	0	0	0	0	109.4	M36 F46 I47 I118 Q120	T34-M36 HydrophobicContact CG2-CE 4.07Å; T34-M36 HydrophobicContact CG2-CG 3.99Å; T34-M36 HydrophobicContact CG2-SD 4.11Å; T34-F46 WeakPolarHBondContact O-CA 3.36Å; T34-I47 PolarHBondContact N-O 2.91Å; T34-I47 PolarHBondContact O-N 3.41Å; T34-I118 HydrophobicContact CG2-CD1 3.65Å; T34-I118 HydrophobicContact CG2-CG1 3.97Å; T34-Q120 HydrophobicContact CG2-CG 4.29Å
35	A	98.4	Very high	95.1	Very high	1 Å²	1	51.2 Å²	51.2	1%	0.008	29%	0.288	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-116.1	124.3	174.3	0	0	0	0	0	109.7	R45 F46 Y98 L102 I118 I119	A35-R45 CarbonylContact C-O 3.54Å; A35-R45 WeakPolarHBondContact CA-O 3.47Å; A35-F46 HydrophobicContact CB-CD2 4.18Å; A35-Y98 HydrophobicContact CB-CD1 3.61Å; A35-Y98 HydrophobicContact CB-CG 3.93Å; A35-L102 HydrophobicContact CB-CD1 4.16Å; A35-I118 CarbonylContact O-C 3.58Å; A35-I118 VanDerWaalsContact O-CA 3.32Å; A35-I118 WeakPolarHBondContact O-CA 3.24Å; A35-I119 PolarHBondContact N-O 3.06Å; A35-I119 PolarHBondContact O-N 3.02Å
36	M	98	Very high	96.3	Very high	57 Å²	57	49.9 Å²	49.9	28%	0.281	27%	0.273	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-122.3	118.8	-176.5	-65.9	161.4	-71.6	0	0	109.7	T34 P44 R45 I47 H117 I118	T34-M36 HydrophobicContact CG2-CE 4.07Å; T34-M36 HydrophobicContact CG2-CG 3.99Å; T34-M36 HydrophobicContact CG2-SD 4.11Å; M36-P44 CarbonylContact O-C 3.45Å; M36-P44 WeakPolarHBondContact O-CA 3.49Å; M36-P44 WeakPolarHBondContact O-CB 3.32Å; M36-R45 HydrophobicContact CE-CB 4.35Å; M36-R45 HydrophobicContact CE-CG 4.37Å; M36-R45 PolarHBondContact N-O 3.39Å; M36-R45 PolarHBondContact O-N 3.36Å; M36-I47 HydrophobicContact CE-CD1 3.92Å; M36-I47 HydrophobicContact CE-CG1 4.41Å; M36-H117 WeakPolarHBondContact CA-O 3.44Å; M36-I118 HydrophobicContact CG-CB 4.37Å; M36-I118 HydrophobicContact CG-CD1 3.89Å; M36-I118 HydrophobicContact CG-CG1 3.9Å; M36-I118 HydrophobicContact SD-CD1 4.49Å
37	S	97.4	Very high	96.7	Very high	15 Å²	15	48.6 Å²	48.6	11%	0.105	26%	0.262	C	S	.	.			trans	-69.7	151.5	168.7	73	0	0	0	0	110.1	S116 H117	S37-S116 PolarHBondContact O-OG 2.89Å; S37-H117 PolarHBondContact N-O 3.48Å; S37-H117 PolarHBondContact OG-N 3.43Å; S37-H117 PolarHBondContact OG-O 3.27Å
38	R	95.4	Very high	96.8	Very high	74 Å²	74	47.1 Å²	47.1	28%	0.279	26%	0.255	S	S	.	.			trans	-144.7	71.7	178.6	52.9	174	176.1	-158.8	-11	110.7	G40 R41 E43 D63	R38-G40 PolarHBondContact O-N 2.98Å; R38-R41 HydrophobicContact CB-CB 4.15Å; R38-R41 WeakPolarHBondContact CD-O 3.36Å; R38-R41 HydrophobicContact CG-CB 4.24Å; R38-R41 PolarHBondContact NE-O 3.5Å; R38-R41 PolarHBondContact O-N 3.43Å; R38-E43 VanDerWaalsContact CZ-O 3.24Å; R38-E43 PolarHBondContact NE-O 3.32Å; R38-E43 PolarHBondContact NH2-O 3.45Å; R38-D63 IonicContact CZ-OD1 3.89Å; R38-D63 IonicContact CZ-OD2 3.92Å; R38-D63 IonicContact NH1-OD1 3.35Å; R38-D63 PolarHBondContact NH1-OD1 3.06Å; R38-D63 IonicContact NH1-OD2 3.83Å; R38-D63 PolarHBondContact NH1-OD2 2.82Å; R38-D63 IonicContact NH2-OD1 3.49Å; R38-D63 PolarHBondContact NH2-OD1 3.24Å; R38-D63 IonicContact NH2-OD2 3.53Å
39	P	92.5	Very high	96.8	Very high	53 Å²	53	47.1 Å²	47.1	34%	0.344	25%	0.254	S	S	.	.	T	Hydrogen-bonded Turn	trans	-50.1	132.3	-175.4	-26.4	34.5	0	0	0	112.2	R41 E113 G115	P39-R41 PolarHBondContact O-N 3.34Å; P39-E113 WeakPolarHBondContact CB-O 3.19Å; P39-E113 WeakPolarHBondContact CG-O 3.22Å; P39-G115 WeakPolarHBondContact CG-O 3.47Å
40	G	91.3	Very high	96.8	Very high	91 Å²	91	47.1 Å²	47.1	94%	0.938	25%	0.254	S	S	*	.	T	Hydrogen-bonded Turn	trans	73.2	2	-177.4	0	0	0	0	0	115.9	R38	R38-G40 PolarHBondContact O-N 2.98Å
41	R	92.7	Very high	96.8	Very high	210 Å²	210	47.9 Å²	47.9	79%	0.792	26%	0.257	S	S	*	.	S	Bend	trans	-123.7	23.5	179.7	-58.7	-175.4	-178.9	-179.2	0.9	113.4	R38 P39	R38-R41 HydrophobicContact CB-CB 4.15Å; R38-R41 WeakPolarHBondContact CD-O 3.36Å; R38-R41 HydrophobicContact CG-CB 4.24Å; R38-R41 PolarHBondContact NE-O 3.5Å; R38-R41 PolarHBondContact O-N 3.43Å; P39-R41 PolarHBondContact O-N 3.34Å
42	G	91.4	Very high	96.8	Very high	58 Å²	58	47.5 Å²	47.5	60%	0.598	26%	0.256	S	S	*	.	S	Bend	trans	97.2	-164.4	178.6	0	0	0	0	0	113.9
43	E	94.4	Very high	96.7	Very high	86 Å²	86	45.1 Å²	45.1	40%	0.402	25%	0.247	S	C	.	.	S	Bend	trans	-68.7	153	-177.5	-71.3	-64.1	158.8	0	0	112.5	R38 R45 R99	R38-E43 VanDerWaalsContact CZ-O 3.24Å; R38-E43 PolarHBondContact NE-O 3.32Å; R38-E43 PolarHBondContact NH2-O 3.45Å; E43-R45 PolarHBondContact O-N 3.02Å; E43-R99 VanDerWaalsContact CG-NH2 3.34Å; E43-R99 VanDerWaalsContact OE2-CD 3.26Å; E43-R99 WeakPolarHBondContact OE2-CD 3.21Å; E43-R99 IonicContact OE2-CZ 2.94Å; E43-R99 IonicContact OE2-NE 3.55Å; E43-R99 PolarHBondContact OE2-NE 2.94Å; E43-R99 IonicContact OE2-NH1 3.8Å; E43-R99 IonicContact OE2-NH2 2.73Å; E43-R99 PolarHBondContact OE2-NH2 2.95Å
44	P	96.6	Very high	96.6	Very high	24 Å²	24	47.6 Å²	47.6	16%	0.156	26%	0.261	C	S	.	.	P	Polyproline II helix	trans	-52.5	137	174.7	-26.4	35.3	0	0	0	112.3	M36 R99 L102	M36-P44 CarbonylContact O-C 3.45Å; M36-P44 WeakPolarHBondContact O-CA 3.49Å; M36-P44 WeakPolarHBondContact O-CB 3.32Å; P44-R99 HydrophobicContact CG-CB 4.46Å; P44-R99 HydrophobicContact CG-CG 4.23Å; P44-L102 HydrophobicContact CB-CD1 3.6Å; P44-L102 HydrophobicContact CG-CD1 3.86Å
45	R	98.1	Very high	96.5	Very high	81 Å²	81	46.8 Å²	46.8	31%	0.306	26%	0.256	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-83.2	130.8	175.3	-175.4	-177.7	-175.1	177	-2.8	109.2	A35 M36 E43 I47 D61 S62 D63	A35-R45 CarbonylContact C-O 3.54Å; A35-R45 WeakPolarHBondContact CA-O 3.47Å; M36-R45 HydrophobicContact CE-CB 4.35Å; M36-R45 HydrophobicContact CE-CG 4.37Å; M36-R45 PolarHBondContact N-O 3.39Å; M36-R45 PolarHBondContact O-N 3.36Å; E43-R45 PolarHBondContact O-N 3.02Å; R45-I47 HydrophobicContact CG-CG1 4.24Å; R45-D61 IonicContact CZ-OD1 2.8Å; R45-D61 IonicContact CZ-OD2 3.69Å; R45-D61 IonicContact NE-OD1 3.1Å; R45-D61 PolarHBondContact NE-OD1 2.93Å; R45-D61 IonicContact NE-OD2 3.44Å; R45-D61 IonicContact NH2-OD1 2.76Å; R45-D61 PolarHBondContact NH2-OD1 2.75Å; R45-D61 IonicContact NH2-OD2 3.47Å; R45-D61 PolarHBondContact NH2-OD2 2.9Å; R45-S62 WeakPolarHBondContact CA-OG 3.33Å; R45-D63 VanDerWaalsContact CD-OD2 3.23Å; R45-D63 WeakPolarHBondContact CD-OD2 3.33Å; R45-D63 HydrophobicContact CG-CB 4.37Å; R45-D63 IonicContact CZ-OD2 3.11Å; R45-D63 IonicContact NE-OD2 2.8Å
46	F	98.6	Very high	96.5	Very high	3 Å²	3	49.1 Å²	49.1	1%	0.013	27%	0.267	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-114.3	127.6	174.9	-179.9	-98.9	0	0	0	110.1	Y33 T34 A35 T48 F60 S62 N94 T95 Y98	Y33-F46 HydrophobicContact CD1-CZ 4.34Å; Y33-F46 HydrophobicContact CD2-CE2 4.08Å; Y33-F46 AromaticContact CD2-CZ 3.82Å; Y33-F46 HydrophobicContact CD2-CZ 3.82Å; Y33-F46 HydrophobicContact CE2-CZ 4.26Å; Y33-F46 HydrophobicContact CG-CE2 4.12Å; Y33-F46 AromaticContact CG-CZ 3.84Å; Y33-F46 HydrophobicContact CG-CZ 3.84Å; T34-F46 WeakPolarHBondContact O-CA 3.36Å; A35-F46 HydrophobicContact CB-CD2 4.18Å; F46-T48 HydrophobicContact CE1-CG2 3.79Å; F46-T48 HydrophobicContact CZ-CG2 4.33Å; F46-F60 HydrophobicContact CD1-CD1 4.02Å; F46-F60 HydrophobicContact CD1-CE1 4.02Å; F46-F60 HydrophobicContact CE1-CD1 4.35Å; F46-S62 PolarHBondContact N-OG 3.18Å; F46-S62 PolarHBondContact O-N 3.18Å; F46-S62 PolarHBondContact O-OG 2.93Å; F46-N94 HydrophobicContact CE1-CB 4.03Å; F46-N94 HydrophobicContact CE2-CB 4.2Å; F46-N94 HydrophobicContact CZ-CB 3.65Å; F46-T95 HydrophobicContact CB-CG2 3.96Å; F46-T95 VanDerWaalsContact CD1-OG1 3.31Å; F46-T95 WeakPolarHBondContact CD1-OG1 3.38Å; F46-Y98 HydrophobicContact CD2-CD2 4.21Å; F46-Y98 HydrophobicContact CD2-CG 4.12Å; F46-Y98 AromaticContact CE2-CD2 3.67Å; F46-Y98 HydrophobicContact CE2-CD2 3.67Å; F46-Y98 HydrophobicContact CE2-CE2 4.01Å; F46-Y98 AromaticContact CE2-CG 3.97Å; F46-Y98 HydrophobicContact CE2-CG 3.97Å
47	I	98.8	Very high	96.5	Very high	26 Å²	26	46.4 Å²	46.4	13%	0.133	25%	0.253	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-125.4	134.6	175.2	-55.4	175.4	0	0	0	107.5	Y33 T34 M36 R45 V49 F60	Y33-I47 CarbonylContact C-O 3.58Å; Y33-I47 WeakPolarHBondContact CA-O 3.49Å; T34-I47 PolarHBondContact N-O 2.91Å; T34-I47 PolarHBondContact O-N 3.41Å; M36-I47 HydrophobicContact CE-CD1 3.92Å; M36-I47 HydrophobicContact CE-CG1 4.41Å; R45-I47 HydrophobicContact CG-CG1 4.24Å; I47-V49 HydrophobicContact CG2-CG1 4.45Å; I47-F60 WeakPolarHBondContact CA-O 3.38Å
48	T	98.8	Very high	96.6	Very high	1 Å²	1	45.8 Å²	45.8	1%	0.006	25%	0.249	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-127.9	141.1	166.1	170.4	0	0	0	0	110.4	F32 Y33 F46 R59 F60 M69	F32-T48 VanDerWaalsContact O-CA 3.31Å; F32-T48 WeakPolarHBondContact O-CA 3.45Å; Y33-T48 WeakPolarHBondContact CD1-OG1 3.19Å; Y33-T48 HydrophobicContact CE1-CG2 4.41Å; Y33-T48 WeakPolarHBondContact CE1-OG1 3.16Å; F46-T48 HydrophobicContact CE1-CG2 3.79Å; F46-T48 HydrophobicContact CZ-CG2 4.33Å; T48-R59 CarbonylContact O-C 3.57Å; T48-R59 WeakPolarHBondContact O-CA 3.41Å; T48-F60 HydrophobicContact CG2-CB 3.61Å; T48-F60 HydrophobicContact CG2-CD1 4.35Å; T48-F60 HydrophobicContact CG2-CG 4.33Å; T48-F60 PolarHBondContact N-O 3.5Å; T48-F60 PolarHBondContact O-N 2.71Å; T48-M69 HydrophobicContact CG2-CE 4.12Å
49	V	98.9	Very high	96.8	Very high	23 Å²	23	45.7 Å²	45.7	14%	0.139	25%	0.248	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-131.3	141.1	173.1	-63.6	0	0	0	0	109.4	Y31 F32 I47 Y51 V58 R59	Y31-V49 WeakPolarHBondContact CA-O 3.49Å; F32-V49 HydrophobicContact CB-CG2 3.87Å; F32-V49 HydrophobicContact CD2-CG2 4.31Å; F32-V49 PolarHBondContact N-O 3.03Å; F32-V49 PolarHBondContact O-N 2.94Å; I47-V49 HydrophobicContact CG2-CG1 4.45Å; V49-Y51 HydrophobicContact CB-CE2 4.1Å; V49-Y51 HydrophobicContact CG2-CD2 4.29Å; V49-Y51 HydrophobicContact CG2-CE2 3.79Å; V49-V58 WeakPolarHBondContact CA-O 3.5Å; V49-R59 HydrophobicContact CG1-CB 4.32Å; V49-R59 HydrophobicContact CG1-CG 4.05Å
50	G	98.8	Very high	97.1	Very high	0 Å²	0	43.3 Å²	43.3	0%	0	23%	0.232	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-114.3	138.2	175.5	0	0	0	0	0	110.6	R30 Q56 F57 V58	R30-G50 WeakPolarHBondContact O-CA 3.39Å; G50-Q56 WeakPolarHBondContact O-CA 3.48Å; G50-Q56 WeakPolarHBondContact O-CG 3.4Å; G50-F57 WeakPolarHBondContact O-CD1 3.48Å; G50-F57 PolarHBondContact O-N 2.81Å; G50-V58 PolarHBondContact N-O 2.74Å; G50-V58 VanDerWaalsContact N-O 3.11Å; G50-V58 PolarHBondContact O-N 3.47Å
51	Y	98.7	Very high	97.4	Very high	70 Å²	70	40 Å²	40	28%	0.275	19%	0.193	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-124.9	141.1	177.4	-77.7	-102.9	0	0	0	110.5	M29 R30 F32 V49 T55 Q56	M29-Y51 CarbonylContact C-O 3.53Å; M29-Y51 WeakPolarHBondContact CA-O 3.32Å; R30-Y51 PolarHBondContact N-O 3.29Å; R30-Y51 PolarHBondContact O-N 2.9Å; F32-Y51 HydrophobicContact CD2-CD2 4.1Å; F32-Y51 HydrophobicContact CE2-CD2 4.12Å; V49-Y51 HydrophobicContact CB-CE2 4.1Å; V49-Y51 HydrophobicContact CG2-CD2 4.29Å; V49-Y51 HydrophobicContact CG2-CE2 3.79Å; Y51-T55 WeakPolarHBondContact CA-O 3.34Å; Y51-T55 VanDerWaalsContact CD1-C 3.5Å; Y51-Q56 HydrophobicContact CD1-CB 4.02Å; Y51-Q56 VanDerWaalsContact CD1-N 3.31Å; Y51-Q56 HydrophobicContact CD2-CB 4.45Å; Y51-Q56 HydrophobicContact CD2-CG 4.27Å; Y51-Q56 HydrophobicContact CE1-CB 3.53Å; Y51-Q56 HydrophobicContact CE1-CG 4.25Å; Y51-Q56 HydrophobicContact CE2-CB 4Å; Y51-Q56 HydrophobicContact CE2-CG 3.78Å; Y51-Q56 HydrophobicContact CG-CB 4.45Å
52	V	98.4	Very high	97.7	Very high	0 Å²	0	31.2 Å²	31.2	0%	0	16%	0.164	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-109.3	119.4	156.3	177	0	0	0	0	106	S28 M29 D54 T55 F57 W75 L192 Y195 L196 L203	S28-V52 CarbonylContact O-C 3.57Å; S28-V52 VanDerWaalsContact O-CA 3.3Å; S28-V52 WeakPolarHBondContact O-CA 3.44Å; M29-V52 HydrophobicContact CG-CG2 4.4Å; V52-D54 PolarHBondContact O-N 3.37Å; V52-T55 PolarHBondContact N-O 3.46Å; V52-T55 WeakPolarHBondContact O-CB 3.46Å; V52-T55 PolarHBondContact O-N 2.9Å; V52-F57 HydrophobicContact CG2-CD1 3.99Å; V52-F57 HydrophobicContact CG2-CE1 4.01Å; V52-W75 HydrophobicContact CB-CH2 4.43Å; V52-W75 HydrophobicContact CG2-CH2 3.93Å; V52-L192 HydrophobicContact CG1-CD1 3.61Å; V52-L192 HydrophobicContact CG2-CD1 4.24Å; V52-Y195 HydrophobicContact CG2-CD2 3.96Å; V52-Y195 HydrophobicContact CG2-CG 4.47Å; V52-L196 HydrophobicContact CG1-CD2 4.07Å; V52-L203 HydrophobicContact CB-CD1 4.25Å; V52-L203 HydrophobicContact CB-CD2 4.15Å; V52-L203 HydrophobicContact CG1-CD1 3.88Å; V52-L203 HydrophobicContact CG1-CD2 4.08Å; V52-L203 HydrophobicContact CG1-CG 4.49Å
53	D	96.7	Very high	98	Very high	32 Å²	32	31.5 Å²	31.5	17%	0.171	15%	0.152	C	C	.	.	T	Hydrogen-bonded Turn	trans	48.5	-125.4	-166.5	-51.3	-38.6	0	0	0	110.4	H27 S28 T55	H27-D53 VanDerWaalsContact CA-OD1 3.24Å; H27-D53 WeakPolarHBondContact CA-OD1 3.45Å; H27-D53 IonicContact CE1-OD2 3.87Å; H27-D53 IonicContact CG-OD2 3.68Å; H27-D53 IonicContact ND1-OD1 3.07Å; H27-D53 IonicContact ND1-OD2 3.32Å; H27-D53 PolarHBondContact ND1-OD2 3.19Å; S28-D53 PolarHBondContact N-OD1 2.94Å; S28-D53 PolarHBondContact O-N 3.35Å; D53-T55 VanDerWaalsContact C-N 3.33Å
54	D	96.6	Very high	98.1	Very high	63 Å²	63	29.6 Å²	29.6	34%	0.337	15%	0.151	S	C	.	.	T	Hydrogen-bonded Turn	trans	-91.1	8.4	178.1	-61.7	-55.3	0	0	0	113.7	V52 Y233 P234 A235 F265	V52-D54 PolarHBondContact O-N 3.37Å; D54-Y233 HydrophobicContact CB-CE2 3.99Å; D54-P234 VanDerWaalsContact OD2-CB 3.24Å; D54-P234 WeakPolarHBondContact OD2-CB 3.47Å; D54-A235 HydrophobicContact CB-CB 4.31Å; D54-A235 WeakPolarHBondContact OD2-CB 3.13Å; D54-A235 PolarHBondContact OD2-N 2.86Å; D54-F265 HydrophobicContact CB-CE2 3.8Å; D54-F265 HydrophobicContact CB-CZ 3.74Å
55	T	97.1	Very high	98	Very high	15 Å²	15	35.9 Å²	35.9	9%	0.092	19%	0.189	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-104.4	111.9	-176.8	-58.2	0	0	0	0	111.5	Y51 V52 D53 F57 A73 L203 Y233	Y51-T55 WeakPolarHBondContact CA-O 3.34Å; Y51-T55 VanDerWaalsContact CD1-C 3.5Å; V52-T55 PolarHBondContact N-O 3.46Å; V52-T55 WeakPolarHBondContact O-CB 3.46Å; V52-T55 PolarHBondContact O-N 2.9Å; D53-T55 VanDerWaalsContact C-N 3.33Å; T55-F57 PolarHBondContact O-N 2.71Å; T55-A73 HydrophobicContact CG2-CB 4.5Å; T55-L203 HydrophobicContact CG2-CD2 4.11Å; T55-Y233 WeakPolarHBondContact OG1-CE2 3.11Å; T55-Y233 PolarHBondContact OG1-OH 2.63Å
56	Q	97.9	Very high	97.9	Very high	50 Å²	50	35.5 Å²	35.5	23%	0.234	20%	0.199	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-67.1	129.1	172.9	-165.9	-179.3	-5.5	0	0	110.4	G50 Y51 V58 R72	G50-Q56 WeakPolarHBondContact O-CA 3.48Å; G50-Q56 WeakPolarHBondContact O-CG 3.4Å; Y51-Q56 HydrophobicContact CD1-CB 4.02Å; Y51-Q56 VanDerWaalsContact CD1-N 3.31Å; Y51-Q56 HydrophobicContact CD2-CB 4.45Å; Y51-Q56 HydrophobicContact CD2-CG 4.27Å; Y51-Q56 HydrophobicContact CE1-CB 3.53Å; Y51-Q56 HydrophobicContact CE1-CG 4.25Å; Y51-Q56 HydrophobicContact CE2-CB 4Å; Y51-Q56 HydrophobicContact CE2-CG 3.78Å; Y51-Q56 HydrophobicContact CG-CB 4.45Å; Q56-V58 PolarHBondContact NE2-O 3.02Å; Q56-V58 VanDerWaalsContact NE2-O 3.17Å; Q56-R72 HydrophobicContact CB-CB 4.49Å; Q56-R72 HydrophobicContact CG-CB 4.15Å; Q56-R72 HydrophobicContact CG-CG 4.33Å; Q56-R72 CarbonylContact O-C 3.59Å
57	F	98.4	Very high	97.8	Very high	0 Å²	0	37 Å²	37	0%	0	21%	0.209	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-119.4	-22.8	-179.2	74.6	-83.9	0	0	0	114.3	M29 Y31 G50 V52 T55 P71 R72 A73 W75 I76 Y195	M29-F57 HydrophobicContact CG-CE1 4.43Å; M29-F57 HydrophobicContact SD-CZ 4.32Å; Y31-F57 HydrophobicContact CE1-CZ 4.04Å; Y31-F57 HydrophobicContact CE2-CZ 4.5Å; Y31-F57 AromaticContact CZ-CZ 3.74Å; Y31-F57 WeakPolarHBondContact OH-CZ 3.19Å; G50-F57 WeakPolarHBondContact O-CD1 3.48Å; G50-F57 PolarHBondContact O-N 2.81Å; V52-F57 HydrophobicContact CG2-CD1 3.99Å; V52-F57 HydrophobicContact CG2-CE1 4.01Å; T55-F57 PolarHBondContact O-N 2.71Å; F57-P71 CarbonylContact O-C 3.59Å; F57-R72 PolarHBondContact O-N 2.96Å; F57-A73 HydrophobicContact CB-CB 4.13Å; F57-W75 HydrophobicContact CB-CH2 3.11Å; F57-W75 HydrophobicContact CB-CZ2 3.36Å; F57-W75 HydrophobicContact CB-CZ3 3.93Å; F57-W75 HydrophobicContact CD1-CH2 4.05Å; F57-W75 AromaticContact CD2-CH2 3.84Å; F57-W75 HydrophobicContact CD2-CH2 3.84Å; F57-W75 HydrophobicContact CD2-CZ3 4.09Å; 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 4.13Å; F57-W75 HydrophobicContact CG-CZ3 4.15Å; F57-I76 HydrophobicContact CD2-CB 4.43Å; F57-I76 HydrophobicContact CD2-CD1 3.95Å; F57-I76 HydrophobicContact CD2-CG1 4Å; F57-I76 HydrophobicContact CE2-CD1 4.31Å; F57-I76 VanDerWaalsContact O-CG2 3.27Å; F57-I76 WeakPolarHBondContact O-CG2 3.46Å; F57-Y195 HydrophobicContact CE2-CD2 4.31Å; F57-Y195 AromaticContact CE2-CE2 3.71Å; F57-Y195 HydrophobicContact CE2-CE2 3.71Å; F57-Y195 AromaticContact CE2-CZ 3.98Å; F57-Y195 HydrophobicContact CZ-CD2 4.32Å; F57-Y195 AromaticContact CZ-CE2 3.81Å; F57-Y195 HydrophobicContact CZ-CE2 3.81Å
58	V	98.7	Very high	97.8	Very high	1 Å²	1	43.1 Å²	43.1	1%	0.006	23%	0.23	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-140.7	156.2	176.6	-72.5	0	0	0	0	113	Y31 V49 G50 Q56 M69 A70 I76 W84	Y31-V58 HydrophobicContact CE1-CG2 3.92Å; V49-V58 WeakPolarHBondContact CA-O 3.5Å; G50-V58 PolarHBondContact N-O 2.74Å; G50-V58 VanDerWaalsContact N-O 3.11Å; G50-V58 PolarHBondContact O-N 3.47Å; Q56-V58 PolarHBondContact NE2-O 3.02Å; Q56-V58 VanDerWaalsContact NE2-O 3.17Å; V58-M69 HydrophobicContact CB-CG 4.13Å; V58-M69 HydrophobicContact CB-SD 3.7Å; V58-M69 HydrophobicContact CG1-CG 4.17Å; V58-M69 HydrophobicContact CG1-SD 4.39Å; V58-M69 HydrophobicContact CG2-SD 4.13Å; V58-A70 WeakPolarHBondContact CA-O 3.43Å; V58-I76 HydrophobicContact CG1-CG1 4.31Å; V58-W84 HydrophobicContact CG1-CH2 4.13Å; V58-W84 HydrophobicContact CG1-CZ3 3.93Å
59	R	98.7	Very high	97.8	Very high	73 Å²	73	43.6 Å²	43.6	28%	0.275	23%	0.233	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-148.6	138.9	172.3	-179.3	175.8	174.4	105.5	5.2	111.2	T48 V49 D61 A70 R72	T48-R59 CarbonylContact O-C 3.57Å; T48-R59 WeakPolarHBondContact O-CA 3.41Å; V49-R59 HydrophobicContact CG1-CB 4.32Å; V49-R59 HydrophobicContact CG1-CG 4.05Å; R59-D61 IonicContact CZ-OD2 3.61Å; R59-D61 IonicContact NH2-OD2 2.74Å; R59-D61 PolarHBondContact NH2-OD2 3.07Å; R59-A70 PolarHBondContact N-O 2.79Å; R59-A70 PolarHBondContact O-N 3.36Å; R59-R72 HydrophobicContact CB-CG 3.97Å
60	F	98.8	Very high	97.7	Very high	2 Å²	2	44 Å²	44	1%	0.009	24%	0.239	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-126.1	143.8	163.5	173.2	-79.6	0	0	0	109.8	F46 I47 T48 P67 M69 S91 K92	F46-F60 HydrophobicContact CD1-CD1 4.02Å; F46-F60 HydrophobicContact CD1-CE1 4.02Å; F46-F60 HydrophobicContact CE1-CD1 4.35Å; I47-F60 WeakPolarHBondContact CA-O 3.38Å; T48-F60 HydrophobicContact CG2-CB 3.61Å; T48-F60 HydrophobicContact CG2-CD1 4.35Å; T48-F60 HydrophobicContact CG2-CG 4.33Å; T48-F60 PolarHBondContact N-O 3.5Å; T48-F60 PolarHBondContact O-N 2.71Å; F60-P67 HydrophobicContact CE1-CB 4.48Å; F60-P67 HydrophobicContact CE2-CB 3.69Å; F60-P67 HydrophobicContact CZ-CB 3.59Å; F60-M69 HydrophobicContact CB-CE 4.14Å; F60-M69 HydrophobicContact CB-SD 3.88Å; F60-S91 VanDerWaalsContact CD2-CB 3.48Å; F60-S91 VanDerWaalsContact CG-CB 3.5Å; F60-K92 HydrophobicContact CE2-CG 4.18Å; F60-K92 HydrophobicContact CZ-CG 4.11Å
61	D	98.7	Very high	97.7	Very high	22 Å²	22	46.3 Å²	46.3	12%	0.118	25%	0.253	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-138.8	118.8	177.6	-161.1	-33.3	0	0	0	109.2	R45 R59 D63 A64	R45-D61 IonicContact CZ-OD1 2.8Å; R45-D61 IonicContact CZ-OD2 3.69Å; R45-D61 IonicContact NE-OD1 3.1Å; R45-D61 PolarHBondContact NE-OD1 2.93Å; R45-D61 IonicContact NE-OD2 3.44Å; R45-D61 IonicContact NH2-OD1 2.76Å; R45-D61 PolarHBondContact NH2-OD1 2.75Å; R45-D61 IonicContact NH2-OD2 3.47Å; R45-D61 PolarHBondContact NH2-OD2 2.9Å; R59-D61 IonicContact CZ-OD2 3.61Å; R59-D61 IonicContact NH2-OD2 2.74Å; R59-D61 PolarHBondContact NH2-OD2 3.07Å; D61-D63 PolarHBondContact O-N 3.41Å; D61-D63 PolarHBondContact OD1-N 3.22Å; D61-A64 WeakPolarHBondContact O-CB 3.48Å; D61-A64 PolarHBondContact O-N 2.87Å
62	S	98.3	Very high	97.7	Very high	25 Å²	25	49.7 Å²	49.7	18%	0.175	27%	0.265	C	S	.	.	T	Hydrogen-bonded Turn	trans	-64.6	-21.7	-178.4	66	0	0	0	0	113.5	R45 F46 A64 P67	R45-S62 WeakPolarHBondContact CA-OG 3.33Å; F46-S62 PolarHBondContact N-OG 3.18Å; F46-S62 PolarHBondContact O-N 3.18Å; F46-S62 PolarHBondContact O-OG 2.93Å; S62-A64 VanDerWaalsContact C-N 3.33Å; S62-P67 WeakPolarHBondContact O-CG 3.38Å
63	D	97.3	Very high	97.6	Very high	65 Å²	65	50 Å²	50	35%	0.348	27%	0.268	S	S	.	.	T	Hydrogen-bonded Turn	trans	-86.2	-4.5	-179.9	-80.9	5.8	0	0	0	112.8	R38 R45 D61	R38-D63 IonicContact CZ-OD1 3.89Å; R38-D63 IonicContact CZ-OD2 3.92Å; R38-D63 IonicContact NH1-OD1 3.35Å; R38-D63 PolarHBondContact NH1-OD1 3.06Å; R38-D63 IonicContact NH1-OD2 3.83Å; R38-D63 PolarHBondContact NH1-OD2 2.82Å; R38-D63 IonicContact NH2-OD1 3.49Å; R38-D63 PolarHBondContact NH2-OD1 3.24Å; R38-D63 IonicContact NH2-OD2 3.53Å; R45-D63 VanDerWaalsContact CD-OD2 3.23Å; R45-D63 WeakPolarHBondContact CD-OD2 3.33Å; R45-D63 HydrophobicContact CG-CB 4.37Å; R45-D63 IonicContact CZ-OD2 3.11Å; R45-D63 IonicContact NE-OD2 2.8Å; D61-D63 PolarHBondContact O-N 3.41Å; D61-D63 PolarHBondContact OD1-N 3.22Å
64	A	96.8	Very high	97.6	Very high	45 Å²	45	53.4 Å²	53.4	37%	0.372	29%	0.292	S	S	.	.	S	Bend	trans	-63.4	147.8	175.2	0	0	0	0	0	110.9	D61 S62 S66 P67	D61-A64 WeakPolarHBondContact O-CB 3.48Å; D61-A64 PolarHBondContact O-N 2.87Å; S62-A64 VanDerWaalsContact C-N 3.33Å; A64-S66 PolarHBondContact O-N 2.92Å; A64-S66 VanDerWaalsContact O-N 3.14Å; A64-P67 WeakPolarHBondContact O-CD 3.12Å; A64-P67 VanDerWaalsContact O-CG 3.24Å; A64-P67 WeakPolarHBondContact O-CG 3.22Å
65	T	95.6	Very high	97.6	Very high	156 Å²	156	51.4 Å²	51.4	96%	0.957	28%	0.279	S	S	*	.	S	Bend	trans	-55.6	-34.6	178.8	-49	0	0	0	0	112.8
66	S	95.7	Very high	97.6	Very high	73 Å²	73	50.7 Å²	50.7	51%	0.51	28%	0.275	S	S	.	.	S	Bend	trans	-132.5	88.1	171.6	168.3	0	0	0	0	108.8	A64 R68	A64-S66 PolarHBondContact O-N 2.92Å; A64-S66 VanDerWaalsContact O-N 3.14Å; S66-R68 PolarHBondContact O-N 3.06Å; S66-R68 VanDerWaalsContact O-N 3.09Å
67	P	97.1	Very high	97.6	Very high	35 Å²	35	54.4 Å²	54.4	23%	0.227	29%	0.292	C	S	.	.			trans	-62.3	113.2	-176.5	-22.9	34.6	0	0	0	111.5	F60 S62 A64 K92	F60-P67 HydrophobicContact CE1-CB 4.48Å; F60-P67 HydrophobicContact CE2-CB 3.69Å; F60-P67 HydrophobicContact CZ-CB 3.59Å; S62-P67 WeakPolarHBondContact O-CG 3.38Å; A64-P67 WeakPolarHBondContact O-CD 3.12Å; A64-P67 VanDerWaalsContact O-CG 3.24Å; A64-P67 WeakPolarHBondContact O-CG 3.22Å; P67-K92 VanDerWaalsContact O-CE 3.27Å; P67-K92 WeakPolarHBondContact O-CE 3.49Å
68	R	98.1	Very high	97.5	Very high	155 Å²	155	60.1 Å²	60.1	59%	0.585	32%	0.319	S	S	*	.			trans	-144	152.7	176.4	-64.5	-170.1	180	-162.8	-3.7	109.5	S66 A70 T88	S66-R68 PolarHBondContact O-N 3.06Å; S66-R68 VanDerWaalsContact O-N 3.09Å; R68-A70 PolarHBondContact O-N 2.92Å; R68-T88 HydrophobicContact CB-CG2 4.29Å; R68-T88 HydrophobicContact CG-CG2 4.17Å
69	M	98.4	Very high	97.5	Very high	11 Å²	11	60.6 Å²	60.6	5%	0.054	32%	0.321	C	S	.	.			trans	-65.9	128.1	169.2	-170.3	62.7	82.3	0	0	108	T48 V58 F60 W84 E87 T88 S91	T48-M69 HydrophobicContact CG2-CE 4.12Å; V58-M69 HydrophobicContact CB-CG 4.13Å; V58-M69 HydrophobicContact CB-SD 3.7Å; V58-M69 HydrophobicContact CG1-CG 4.17Å; V58-M69 HydrophobicContact CG1-SD 4.39Å; V58-M69 HydrophobicContact CG2-SD 4.13Å; F60-M69 HydrophobicContact CB-CE 4.14Å; F60-M69 HydrophobicContact CB-SD 3.88Å; M69-W84 HydrophobicContact CB-CE3 4.24Å; M69-W84 HydrophobicContact CG-CE3 4.16Å; M69-W84 HydrophobicContact CG-CZ3 4Å; M69-E87 HydrophobicContact CB-CB 4Å; M69-E87 HydrophobicContact CE-CB 4.25Å; M69-E87 HydrophobicContact CG-CB 3.97Å; M69-T88 PolarHBondContact N-OG1 2.78Å; M69-S91 WeakPolarHBondContact CE-OG 3.45Å
70	A	98.1	Very high	97.4	Very high	32 Å²	32	58.8 Å²	58.8	26%	0.264	33%	0.326	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-121.5	140.7	-176.2	0	0	0	0	0	110.9	V58 R59 R68	V58-A70 WeakPolarHBondContact CA-O 3.43Å; R59-A70 PolarHBondContact N-O 2.79Å; R59-A70 PolarHBondContact O-N 3.36Å; R68-A70 PolarHBondContact O-N 2.92Å
71	P	98.3	Very high	97.4	Very high	47 Å²	47	63.3 Å²	63.3	31%	0.305	36%	0.355	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-65.8	149.2	175.3	28.1	-34.5	0	0	0	111.4	F57 I76 E77 W84	F57-P71 CarbonylContact O-C 3.59Å; P71-I76 HydrophobicContact CB-CG2 3.61Å; P71-E77 HydrophobicContact CB-CG 3.79Å; P71-E77 HydrophobicContact CG-CG 4Å; P71-W84 HydrophobicContact CB-CH2 3.63Å; P71-W84 HydrophobicContact CB-CZ2 4.05Å; P71-W84 HydrophobicContact CB-CZ3 4.48Å; P71-W84 HydrophobicContact CG-CH2 4.2Å; P71-W84 HydrophobicContact CG-CZ2 4.4Å
72	R	97.7	Very high	97.3	Very high	142 Å²	142	70.3 Å²	70.3	54%	0.536	39%	0.387	S	S	.	.			trans	-131.1	-1.8	174.3	-61.4	-65	170	-176	-2.8	113.3	Q56 F57 R59	Q56-R72 HydrophobicContact CB-CB 4.49Å; Q56-R72 HydrophobicContact CG-CB 4.15Å; Q56-R72 HydrophobicContact CG-CG 4.33Å; Q56-R72 CarbonylContact O-C 3.59Å; F57-R72 PolarHBondContact O-N 2.96Å; R59-R72 HydrophobicContact CB-CG 3.97Å
73	A	96.6	Very high	97.3	Very high	6 Å²	6	69.9 Å²	69.9	5%	0.05	38%	0.382	C	S	.	.	S	Bend	trans	-136.1	144.8	173.1	0	0	0	0	0	110.3	T55 F57 W75 I76	T55-A73 HydrophobicContact CG2-CB 4.5Å; F57-A73 HydrophobicContact CB-CB 4.13Å; A73-W75 VanDerWaalsContact C-N 3.3Å; A73-W75 HydrophobicContact CB-CD2 4.14Å; A73-W75 HydrophobicContact CB-CG 4.36Å; A73-W75 HydrophobicContact CB-CZ2 3.95Å; A73-W75 PolarHBondContact O-N 3.01Å; A73-I76 WeakPolarHBondContact O-CG2 3.25Å; A73-I76 PolarHBondContact O-N 3.31Å
74	P	96.8	Very high	97.4	Very high	104 Å²	104	68.6 Å²	68.6	68%	0.675	37%	0.372	S	S	*	.	G	3₁₀ helix	trans	-59.6	-37.5	-177.3	-26.3	34.9	0	0	0	113.9	I76 E77	P74-I76 PolarHBondContact O-N 3.11Å; P74-E77 WeakPolarHBondContact O-CB 3.39Å; P74-E77 PolarHBondContact O-N 2.89Å; P74-E77 VanDerWaalsContact O-N 3.11Å
75	W	96.8	Very high	97.5	Very high	20 Å²	20	71.2 Å²	71.2	8%	0.076	38%	0.38	C	S	.	.	G	3₁₀ helix	trans	-69.4	-14.5	-176.1	53.1	-106.8	0	0	0	114.4	V52 F57 A73 Q78 Y195 L203	V52-W75 HydrophobicContact CB-CH2 4.43Å; V52-W75 HydrophobicContact CG2-CH2 3.93Å; F57-W75 HydrophobicContact CB-CH2 3.11Å; F57-W75 HydrophobicContact CB-CZ2 3.36Å; F57-W75 HydrophobicContact CB-CZ3 3.93Å; F57-W75 HydrophobicContact CD1-CH2 4.05Å; F57-W75 AromaticContact CD2-CH2 3.84Å; F57-W75 HydrophobicContact CD2-CH2 3.84Å; F57-W75 HydrophobicContact CD2-CZ3 4.09Å; 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 4.13Å; F57-W75 HydrophobicContact CG-CZ3 4.15Å; A73-W75 VanDerWaalsContact C-N 3.3Å; A73-W75 HydrophobicContact CB-CD2 4.14Å; A73-W75 HydrophobicContact CB-CG 4.36Å; A73-W75 HydrophobicContact CB-CZ2 3.95Å; A73-W75 PolarHBondContact O-N 3.01Å; W75-Q78 WeakPolarHBondContact O-CG 2.94Å; W75-Q78 PolarHBondContact O-NE2 3.32Å; W75-Y195 HydrophobicContact CH2-CG 4.29Å; W75-Y195 AromaticContact CZ3-CD1 3.85Å; W75-Y195 HydrophobicContact CZ3-CD1 3.85Å; W75-Y195 HydrophobicContact CZ3-CD2 4.44Å; W75-Y195 AromaticContact CZ3-CG 3.75Å; W75-Y195 HydrophobicContact CZ3-CG 3.75Å; W75-L203 HydrophobicContact CD2-CD1 4.44Å; W75-L203 HydrophobicContact CH2-CD1 4.29Å; W75-L203 HydrophobicContact CZ2-CD1 3.81Å; W75-L203 HydrophobicContact CZ2-CD2 4.1Å; W75-L203 HydrophobicContact CZ2-CG 4.35Å
76	I	98	Very high	97.6	Very high	0 Å²	0	69.7 Å²	69.7	0%	0	36%	0.356	C	S	.	.	G	3₁₀ helix	trans	-88.3	-19.5	173.9	-163.8	71.3	0	0	0	111.7	F57 V58 P71 A73 P74 Q78 E79 Y83 W84 Y195	F57-I76 HydrophobicContact CD2-CB 4.43Å; F57-I76 HydrophobicContact CD2-CD1 3.95Å; F57-I76 HydrophobicContact CD2-CG1 4Å; F57-I76 HydrophobicContact CE2-CD1 4.31Å; F57-I76 VanDerWaalsContact O-CG2 3.27Å; F57-I76 WeakPolarHBondContact O-CG2 3.46Å; V58-I76 HydrophobicContact CG1-CG1 4.31Å; P71-I76 HydrophobicContact CB-CG2 3.61Å; A73-I76 WeakPolarHBondContact O-CG2 3.25Å; A73-I76 PolarHBondContact O-N 3.31Å; P74-I76 PolarHBondContact O-N 3.11Å; I76-Q78 PolarHBondContact O-N 2.85Å; I76-Q78 VanDerWaalsContact O-N 3.14Å; I76-E79 HydrophobicContact CD1-CG 3.67Å; I76-E79 HydrophobicContact CG1-CG 4.22Å; I76-E79 WeakPolarHBondContact O-CB 3.29Å; I76-E79 WeakPolarHBondContact O-CG 3.39Å; I76-E79 PolarHBondContact O-N 3.32Å; I76-Y83 HydrophobicContact CD1-CE1 4.25Å; I76-Y83 HydrophobicContact CG1-CE1 4.26Å; I76-W84 HydrophobicContact CB-CH2 4.48Å; I76-W84 HydrophobicContact CG1-CH2 3.79Å; I76-W84 HydrophobicContact CG1-CZ2 4.1Å; I76-W84 HydrophobicContact CG2-CH2 4.04Å; I76-W84 HydrophobicContact CG2-CZ2 4.46Å; I76-W84 WeakPolarHBondContact O-CZ2 3.03Å; I76-Y195 HydrophobicContact CD1-CD1 3.8Å; I76-Y195 HydrophobicContact CD1-CE1 3.32Å
77	E	97.1	Very high	97.7	Very high	128 Å²	128	67.1 Å²	67.1	60%	0.598	34%	0.337	S	S	*	.	T	Hydrogen-bonded Turn	trans	-64.1	-22.2	-176.3	-64	-177.2	-178.6	0	0	113.4	P71 P74 E79	P71-E77 HydrophobicContact CB-CG 3.79Å; P71-E77 HydrophobicContact CG-CG 4Å; P74-E77 WeakPolarHBondContact O-CB 3.39Å; P74-E77 PolarHBondContact O-N 2.89Å; P74-E77 VanDerWaalsContact O-N 3.11Å; E77-E79 PolarHBondContact O-N 2.83Å
78	Q	96.2	Very high	97.8	Very high	120 Å²	120	66 Å²	66	56%	0.561	33%	0.329	S	S	*	.	T	Hydrogen-bonded Turn	trans	-72.9	-12.2	175.9	68.5	-178.8	1.2	0	0	114	W75 I76 N198	W75-Q78 WeakPolarHBondContact O-CG 2.94Å; W75-Q78 PolarHBondContact O-NE2 3.32Å; I76-Q78 PolarHBondContact O-N 2.85Å; I76-Q78 VanDerWaalsContact O-N 3.14Å; Q78-N198 PolarHBondContact NE2-ND2 2.96Å; Q78-N198 PolarHBondContact NE2-OD1 2.9Å; Q78-N198 VanDerWaalsContact NE2-OD1 3.1Å
79	E	97.9	Very high	97.8	Very high	12 Å²	12	64 Å²	64	6%	0.056	33%	0.326	C	S	.	.	S	Bend	trans	-64.5	138.7	175.3	-65.9	-59.7	160.5	0	0	110.8	I76 E77 Y83 W84 R194 N198	I76-E79 HydrophobicContact CD1-CG 3.67Å; I76-E79 HydrophobicContact CG1-CG 4.22Å; I76-E79 WeakPolarHBondContact O-CB 3.29Å; I76-E79 WeakPolarHBondContact O-CG 3.39Å; I76-E79 PolarHBondContact O-N 3.32Å; E77-E79 PolarHBondContact O-N 2.83Å; E79-Y83 HydrophobicContact CB-CD1 3.66Å; E79-Y83 HydrophobicContact CB-CE1 4.28Å; E79-Y83 HydrophobicContact CB-CG 3.81Å; E79-Y83 HydrophobicContact CG-CD1 4.17Å; E79-Y83 HydrophobicContact CG-CD2 4.49Å; E79-Y83 HydrophobicContact CG-CE1 4.38Å; E79-Y83 HydrophobicContact CG-CG 4.23Å; E79-W84 PolarHBondContact O-NE1 2.83Å; E79-R194 IonicContact OE1-CZ 2.73Å; E79-R194 IonicContact OE1-NE 3.67Å; E79-R194 PolarHBondContact OE1-NE 2.67Å; E79-R194 IonicContact OE1-NH2 3.6Å; E79-R194 PolarHBondContact OE1-NH2 2.7Å; E79-R194 IonicContact OE2-CZ 3.53Å; E79-R194 IonicContact OE2-NE 3.98Å; E79-R194 PolarHBondContact OE2-NE 2.93Å; E79-R194 IonicContact OE2-NH2 2.85Å; E79-R194 PolarHBondContact OE2-NH2 2.94Å; E79-N198 PolarHBondContact OE1-ND2 2.93Å; E79-N198 VanDerWaalsContact OE1-ND2 3.16Å
80	G	97.4	Very high	97.8	Very high	35 Å²	35	66.3 Å²	66.3	36%	0.361	34%	0.338	S	S	.	.			trans	-70.4	168.9	-174.5	0	0	0	0	0	113.9	E82 Y83 W84	G80-E82 PolarHBondContact O-N 3.05Å; G80-Y83 WeakPolarHBondContact O-CB 3.18Å; G80-Y83 PolarHBondContact O-N 2.8Å; G80-Y83 VanDerWaalsContact O-N 3.1Å; G80-W84 VanDerWaalsContact O-CD1 3.24Å
81	P	97.8	Very high	97.8	Very high	97 Å²	97	64.8 Å²	64.8	63%	0.63	33%	0.326	S	S	*	.	H	α-helix	trans	-57.9	-33.9	-178.8	23.2	-33.7	0	0	0	113.3	Y83 W84 D85	P81-Y83 VanDerWaalsContact C-N 3.29Å; P81-Y83 PolarHBondContact O-N 3.44Å; P81-W84 PolarHBondContact O-N 2.9Å; P81-D85 WeakPolarHBondContact O-CB 3.48Å; P81-D85 PolarHBondContact O-N 2.98Å
82	E	98	Very high	97.8	Very high	169 Å²	169	66.7 Å²	66.7	79%	0.79	33%	0.329	S	S	*	.	H	α-helix	trans	-60	-37.4	178.2	-63.6	-179.1	179.3	0	0	112.7	G80 R86	G80-E82 PolarHBondContact O-N 3.05Å; E82-R86 VanDerWaalsContact O-CB 3.25Å; E82-R86 WeakPolarHBondContact O-CB 3.49Å; E82-R86 PolarHBondContact O-N 3.36Å
83	Y	98.2	Very high	97.8	Very high	15 Å²	15	63.3 Å²	63.3	6%	0.059	32%	0.324	C	S	.	.	H	α-helix	trans	-63	-52.3	174.7	172.6	-92.9	0	0	0	110.5	I76 E79 G80 P81 D85 R86 E87 W191 Y195	I76-Y83 HydrophobicContact CD1-CE1 4.25Å; I76-Y83 HydrophobicContact CG1-CE1 4.26Å; E79-Y83 HydrophobicContact CB-CD1 3.66Å; E79-Y83 HydrophobicContact CB-CE1 4.28Å; E79-Y83 HydrophobicContact CB-CG 3.81Å; E79-Y83 HydrophobicContact CG-CD1 4.17Å; E79-Y83 HydrophobicContact CG-CD2 4.49Å; E79-Y83 HydrophobicContact CG-CE1 4.38Å; E79-Y83 HydrophobicContact CG-CG 4.23Å; G80-Y83 WeakPolarHBondContact O-CB 3.18Å; G80-Y83 PolarHBondContact O-N 2.8Å; G80-Y83 VanDerWaalsContact O-N 3.1Å; P81-Y83 VanDerWaalsContact C-N 3.29Å; P81-Y83 PolarHBondContact O-N 3.44Å; Y83-D85 VanDerWaalsContact C-N 3.33Å; Y83-D85 PolarHBondContact O-N 3.18Å; Y83-R86 PolarHBondContact O-N 3.34Å; Y83-E87 HydrophobicContact CD1-CG 4.36Å; Y83-E87 HydrophobicContact CD2-CG 4.25Å; Y83-E87 HydrophobicContact CE1-CG 4.01Å; Y83-E87 HydrophobicContact CE2-CG 3.91Å; Y83-E87 HydrophobicContact CG-CG 4.47Å; Y83-E87 WeakPolarHBondContact O-CB 3.39Å; Y83-E87 WeakPolarHBondContact O-CG 3.47Å; Y83-E87 PolarHBondContact O-N 3.29Å; Y83-W191 AromaticContact CD2-CH2 3.54Å; Y83-W191 HydrophobicContact CD2-CH2 3.54Å; Y83-W191 HydrophobicContact CD2-CZ2 4.12Å; Y83-W191 AromaticContact CD2-CZ3 3.93Å; Y83-W191 HydrophobicContact CD2-CZ3 3.93Å; Y83-W191 HydrophobicContact CE2-CE3 4.38Å; Y83-W191 AromaticContact CE2-CH2 3.86Å; Y83-W191 HydrophobicContact CE2-CH2 3.86Å; Y83-W191 HydrophobicContact CE2-CZ2 4.33Å; Y83-W191 AromaticContact CE2-CZ3 3.87Å; Y83-W191 HydrophobicContact CE2-CZ3 3.87Å; Y83-Y195 WeakPolarHBondContact CE2-OH 3.44Å; Y83-Y195 PolarHBondContact OH-OH 3.42Å
84	W	98.5	Very high	97.9	Very high	39 Å²	39	64.2 Å²	64.2	15%	0.148	33%	0.328	C	S	.	.	H	α-helix	trans	-63.5	-38.4	-177.5	-64.2	111.8	0	0	0	112.8	V58 M69 P71 I76 E79 G80 P81 T88	V58-W84 HydrophobicContact CG1-CH2 4.13Å; V58-W84 HydrophobicContact CG1-CZ3 3.93Å; M69-W84 HydrophobicContact CB-CE3 4.24Å; M69-W84 HydrophobicContact CG-CE3 4.16Å; M69-W84 HydrophobicContact CG-CZ3 4Å; P71-W84 HydrophobicContact CB-CH2 3.63Å; P71-W84 HydrophobicContact CB-CZ2 4.05Å; P71-W84 HydrophobicContact CB-CZ3 4.48Å; P71-W84 HydrophobicContact CG-CH2 4.2Å; P71-W84 HydrophobicContact CG-CZ2 4.4Å; I76-W84 HydrophobicContact CB-CH2 4.48Å; I76-W84 HydrophobicContact CG1-CH2 3.79Å; I76-W84 HydrophobicContact CG1-CZ2 4.1Å; I76-W84 HydrophobicContact CG2-CH2 4.04Å; I76-W84 HydrophobicContact CG2-CZ2 4.46Å; I76-W84 WeakPolarHBondContact O-CZ2 3.03Å; E79-W84 PolarHBondContact O-NE1 2.83Å; G80-W84 VanDerWaalsContact O-CD1 3.24Å; P81-W84 PolarHBondContact O-N 2.9Å; W84-T88 WeakPolarHBondContact O-CB 3.37Å; W84-T88 PolarHBondContact O-N 2.86Å; W84-T88 PolarHBondContact O-OG1 2.61Å
85	D	98.4	Very high	98	Very high	100 Å²	100	60 Å²	60	54%	0.535	30%	0.3	S	S	.	.	H	α-helix	trans	-68.2	-44.3	176.5	-74.7	-21.8	0	0	0	111.2	P81 Y83 T88 Q89	P81-D85 WeakPolarHBondContact O-CB 3.48Å; P81-D85 PolarHBondContact O-N 2.98Å; Y83-D85 VanDerWaalsContact C-N 3.33Å; Y83-D85 PolarHBondContact O-N 3.18Å; D85-T88 PolarHBondContact O-N 2.03Å; D85-Q89 WeakPolarHBondContact O-CB 3.31Å; D85-Q89 PolarHBondContact O-N 3.12Å
86	R	98.1	Very high	98	Very high	123 Å²	123	63.1 Å²	63.1	46%	0.464	32%	0.316	S	S	.	.	H	α-helix	trans	-60.1	-52.4	175.4	-179.6	178	174.8	-169	-6.8	111.3	E82 Y83 T88 Q89 I90 E187	E82-R86 VanDerWaalsContact O-CB 3.25Å; E82-R86 WeakPolarHBondContact O-CB 3.49Å; E82-R86 PolarHBondContact O-N 3.36Å; Y83-R86 PolarHBondContact O-N 3.34Å; R86-T88 VanDerWaalsContact C-N 3.32Å; R86-T88 PolarHBondContact O-N 2.83Å; R86-Q89 PolarHBondContact O-N 2.93Å; R86-Q89 VanDerWaalsContact O-N 3.14Å; R86-I90 HydrophobicContact CG-CD1 3.89Å; R86-I90 WeakPolarHBondContact O-CG1 3.45Å; R86-I90 PolarHBondContact O-N 2.97Å; R86-E187 IonicContact CZ-OE2 2.74Å; R86-E187 IonicContact NH1-OE2 3.72Å; R86-E187 IonicContact NH2-OE1 3.56Å; R86-E187 IonicContact NH2-OE2 3.61Å; R86-E187 PolarHBondContact NH2-OE2 2.89Å
87	E	98.4	Very high	98	Very high	20 Å²	20	65.8 Å²	65.8	9%	0.093	33%	0.332	C	S	.	.	H	α-helix	trans	-65.5	-35.9	-178.3	-69.2	-51.1	122.3	0	0	112.6	M69 Y83 S91	M69-E87 HydrophobicContact CB-CB 4Å; M69-E87 HydrophobicContact CE-CB 4.25Å; M69-E87 HydrophobicContact CG-CB 3.97Å; Y83-E87 HydrophobicContact CD1-CG 4.36Å; Y83-E87 HydrophobicContact CD2-CG 4.25Å; Y83-E87 HydrophobicContact CE1-CG 4.01Å; Y83-E87 HydrophobicContact CE2-CG 3.91Å; Y83-E87 HydrophobicContact CG-CG 4.47Å; Y83-E87 WeakPolarHBondContact O-CB 3.39Å; Y83-E87 WeakPolarHBondContact O-CG 3.47Å; Y83-E87 PolarHBondContact O-N 3.29Å; E87-S91 WeakPolarHBondContact O-CB 3.48Å; E87-S91 PolarHBondContact O-N 2.84Å; E87-S91 PolarHBondContact O-OG 3.33Å
88	T	98.6	Very high	98.1	Very high	11 Å²	11	59.9 Å²	59.9	7%	0.067	31%	0.305	C	S	.	.	H	α-helix	trans	-62.8	-45.7	172.1	-67.3	0	0	0	0	111	R68 M69 W84 D85 R86 S91 K92	R68-T88 HydrophobicContact CB-CG2 4.29Å; R68-T88 HydrophobicContact CG-CG2 4.17Å; M69-T88 PolarHBondContact N-OG1 2.78Å; W84-T88 WeakPolarHBondContact O-CB 3.37Å; W84-T88 PolarHBondContact O-N 2.86Å; W84-T88 PolarHBondContact O-OG1 2.61Å; D85-T88 PolarHBondContact O-N 2.03Å; R86-T88 VanDerWaalsContact C-N 3.32Å; R86-T88 PolarHBondContact O-N 2.83Å; T88-S91 PolarHBondContact O-N 2.98Å; T88-K92 HydrophobicContact CG2-CD 4.13Å; T88-K92 WeakPolarHBondContact O-CG 3.42Å; T88-K92 PolarHBondContact O-N 2.8Å
89	Q	98.5	Very high	98.1	Very high	113 Å²	113	56.5 Å²	56.5	53%	0.528	29%	0.287	S	S	.	.	H	α-helix	trans	-66.7	-41.5	-179.2	-172.7	58.8	23.6	0	0	111.5	D85 R86 S91 K92 T93	D85-Q89 WeakPolarHBondContact O-CB 3.31Å; D85-Q89 PolarHBondContact O-N 3.12Å; R86-Q89 PolarHBondContact O-N 2.93Å; R86-Q89 VanDerWaalsContact O-N 3.14Å; Q89-S91 VanDerWaalsContact C-N 3.31Å; Q89-S91 PolarHBondContact O-N 3.45Å; Q89-K92 PolarHBondContact O-N 2.67Å; Q89-T93 PolarHBondContact O-N 2.88Å; Q89-T93 PolarHBondContact O-OG1 3.4Å; Q89-T93 VanDerWaalsContact O-OG1 3.07Å
90	I	98.1	Very high	98.1	Very high	59 Å²	59	61.7 Å²	61.7	30%	0.303	31%	0.311	S	S	.	.	H	α-helix	trans	-56.8	-47	172.8	-70.1	166.9	0	0	0	110.3	R86 K92 T93 N94	R86-I90 HydrophobicContact CG-CD1 3.89Å; R86-I90 WeakPolarHBondContact O-CG1 3.45Å; R86-I90 PolarHBondContact O-N 2.97Å; I90-K92 PolarHBondContact O-N 3.04Å; I90-T93 PolarHBondContact O-N 2.62Å; I90-N94 WeakPolarHBondContact O-CB 3.32Å; I90-N94 PolarHBondContact O-N 3.27Å; I90-N94 PolarHBondContact O-ND2 3.47Å
91	S	98.5	Very high	98.1	Very high	1 Å²	1	62.9 Å²	62.9	1%	0.007	31%	0.309	C	S	.	.	H	α-helix	trans	-64.6	-37.9	179.6	-61.2	0	0	0	0	113.1	F60 M69 E87 T88 Q89 N94 T95	F60-S91 VanDerWaalsContact CD2-CB 3.48Å; F60-S91 VanDerWaalsContact CG-CB 3.5Å; M69-S91 WeakPolarHBondContact CE-OG 3.45Å; E87-S91 WeakPolarHBondContact O-CB 3.48Å; E87-S91 PolarHBondContact O-N 2.84Å; E87-S91 PolarHBondContact O-OG 3.33Å; T88-S91 PolarHBondContact O-N 2.98Å; Q89-S91 VanDerWaalsContact C-N 3.31Å; Q89-S91 PolarHBondContact O-N 3.45Å; S91-N94 PolarHBondContact O-N 2.82Å; S91-T95 PolarHBondContact O-N 3.05Å; S91-T95 PolarHBondContact O-OG1 3.03Å
92	K	98.3	Very high	98.1	Very high	87 Å²	87	58.4 Å²	58.4	38%	0.378	28%	0.28	S	S	.	.	H	α-helix	trans	-66.7	-42.5	174.3	-75.1	176.9	177.4	177.3	0	112.1	F60 P67 T88 Q89 I90 T95 Q96	F60-K92 HydrophobicContact CE2-CG 4.18Å; F60-K92 HydrophobicContact CZ-CG 4.11Å; P67-K92 VanDerWaalsContact O-CE 3.27Å; P67-K92 WeakPolarHBondContact O-CE 3.49Å; T88-K92 HydrophobicContact CG2-CD 4.13Å; T88-K92 WeakPolarHBondContact O-CG 3.42Å; T88-K92 PolarHBondContact O-N 2.8Å; Q89-K92 PolarHBondContact O-N 2.67Å; I90-K92 PolarHBondContact O-N 3.04Å; K92-T95 WeakPolarHBondContact O-CB 3.39Å; K92-T95 PolarHBondContact O-N 2.85Å; K92-Q96 PolarHBondContact O-N 2.95Å
93	T	98.4	Very high	98.1	Very high	71 Å²	71	57 Å²	57	44%	0.436	27%	0.267	S	S	.	.	H	α-helix	trans	-60.5	-47.9	173.5	-61	0	0	0	0	110.4	Q89 I90 T95 Q96 T97	Q89-T93 PolarHBondContact O-N 2.88Å; Q89-T93 PolarHBondContact O-OG1 3.4Å; Q89-T93 VanDerWaalsContact O-OG1 3.07Å; I90-T93 PolarHBondContact O-N 2.62Å; T93-T95 VanDerWaalsContact C-N 3.28Å; T93-T95 PolarHBondContact O-N 2.87Å; T93-Q96 WeakPolarHBondContact O-CB 3.32Å; T93-Q96 PolarHBondContact O-N 3.01Å; T93-T97 PolarHBondContact O-N 2.82Å; T93-T97 PolarHBondContact O-OG1 3.23Å
94	N	98.2	Very high	98.1	Very high	24 Å²	24	57.8 Å²	57.8	13%	0.128	27%	0.274	C	S	.	.	H	α-helix	trans	-59.7	-36.8	176.5	-77.1	-34.7	0	0	0	112.4	Y33 F46 I90 S91 Q96 T97 Y98	Y33-N94 HydrophobicContact CE2-CB 4.48Å; Y33-N94 VanDerWaalsContact CE2-ND2 3.35Å; Y33-N94 WeakPolarHBondContact CE2-ND2 3.46Å; Y33-N94 PolarHBondContact OH-ND2 2.78Å; F46-N94 HydrophobicContact CE1-CB 4.03Å; F46-N94 HydrophobicContact CE2-CB 4.2Å; F46-N94 HydrophobicContact CZ-CB 3.65Å; I90-N94 WeakPolarHBondContact O-CB 3.32Å; I90-N94 PolarHBondContact O-N 3.27Å; I90-N94 PolarHBondContact O-ND2 3.47Å; S91-N94 PolarHBondContact O-N 2.82Å; N94-Q96 PolarHBondContact O-N 2.88Å; N94-T97 PolarHBondContact O-N 2.85Å; N94-Y98 HydrophobicContact CB-CD2 4.35Å; N94-Y98 WeakPolarHBondContact O-CB 3.37Å; N94-Y98 VanDerWaalsContact O-CD2 3.26Å; N94-Y98 WeakPolarHBondContact O-CD2 3.32Å; N94-Y98 PolarHBondContact O-N 3.38Å
95	T	98.1	Very high	98	Very high	15 Å²	15	56.3 Å²	56.3	9%	0.092	27%	0.27	C	S	.	.	H	α-helix	trans	-56.1	-39	174.2	-58.1	0	0	0	0	111.7	F46 S91 K92 T93 R99	F46-T95 HydrophobicContact CB-CG2 3.96Å; F46-T95 VanDerWaalsContact CD1-OG1 3.31Å; F46-T95 WeakPolarHBondContact CD1-OG1 3.38Å; S91-T95 PolarHBondContact O-N 3.05Å; S91-T95 PolarHBondContact O-OG1 3.03Å; K92-T95 WeakPolarHBondContact O-CB 3.39Å; K92-T95 PolarHBondContact O-N 2.85Å; T93-T95 VanDerWaalsContact C-N 3.28Å; T93-T95 PolarHBondContact O-N 2.87Å; T95-R99 PolarHBondContact O-N 3.29Å
96	Q	97.9	Very high	97.9	Very high	87 Å²	87	52.8 Å²	52.8	41%	0.407	25%	0.251	S	S	.	.	H	α-helix	trans	-73.6	-46.6	175.6	-58.5	-53	-50.4	0	0	112	K92 T93 N94 Y98 R99 E100	K92-Q96 PolarHBondContact O-N 2.95Å; T93-Q96 WeakPolarHBondContact O-CB 3.32Å; T93-Q96 PolarHBondContact O-N 3.01Å; N94-Q96 PolarHBondContact O-N 2.88Å; Q96-Y98 VanDerWaalsContact C-N 3.3Å; Q96-Y98 PolarHBondContact O-N 2.95Å; Q96-R99 WeakPolarHBondContact O-CB 3.35Å; Q96-R99 PolarHBondContact O-N 2.85Å; Q96-R99 VanDerWaalsContact O-N 3.16Å; Q96-E100 PolarHBondContact O-N 3.45Å; Q96-E100 VanDerWaalsContact O-N 3.14Å
97	T	98	Very high	97.9	Very high	55 Å²	55	54.9 Å²	54.9	34%	0.337	26%	0.259	S	S	.	.	H	α-helix	trans	-55.8	-45.1	178.2	-52.7	0	0	0	0	111.7	T93 N94 R99 E100 N101	T93-T97 PolarHBondContact O-N 2.82Å; T93-T97 PolarHBondContact O-OG1 3.23Å; N94-T97 PolarHBondContact O-N 2.85Å; T97-R99 PolarHBondContact O-N 3.43Å; T97-E100 PolarHBondContact O-N 2.81Å; T97-N101 PolarHBondContact O-N 3.17Å; T97-N101 PolarHBondContact O-ND2 3.21Å; T97-N101 PolarHBondContact O-OD1 3Å
98	Y	97.9	Very high	97.9	Very high	5 Å²	5	56.3 Å²	56.3	2%	0.02	26%	0.264	C	S	.	.	H	α-helix	trans	-72.2	-28.7	-178.6	-85.3	-96	0	0	0	113.4	Y33 A35 F46 N94 Q96 E100 N101 L102 I119 R121	Y33-Y98 AromaticContact CD2-CE2 3.75Å; Y33-Y98 HydrophobicContact CD2-CE2 3.75Å; Y33-Y98 AromaticContact CD2-CZ 3.88Å; Y33-Y98 HydrophobicContact CE2-CE2 4.43Å; A35-Y98 HydrophobicContact CB-CD1 3.61Å; A35-Y98 HydrophobicContact CB-CG 3.93Å; F46-Y98 HydrophobicContact CD2-CD2 4.21Å; F46-Y98 HydrophobicContact CD2-CG 4.12Å; F46-Y98 AromaticContact CE2-CD2 3.67Å; F46-Y98 HydrophobicContact CE2-CD2 3.67Å; F46-Y98 HydrophobicContact CE2-CE2 4.01Å; F46-Y98 AromaticContact CE2-CG 3.97Å; F46-Y98 HydrophobicContact CE2-CG 3.97Å; N94-Y98 HydrophobicContact CB-CD2 4.35Å; N94-Y98 WeakPolarHBondContact O-CB 3.37Å; N94-Y98 VanDerWaalsContact O-CD2 3.26Å; N94-Y98 WeakPolarHBondContact O-CD2 3.32Å; N94-Y98 PolarHBondContact O-N 3.38Å; Q96-Y98 VanDerWaalsContact C-N 3.3Å; Q96-Y98 PolarHBondContact O-N 2.95Å; Y98-E100 VanDerWaalsContact C-N 3.34Å; Y98-N101 PolarHBondContact O-N 3Å; Y98-L102 WeakPolarHBondContact O-CB 3.39Å; Y98-L102 WeakPolarHBondContact O-CG 3.44Å; Y98-L102 PolarHBondContact O-N 2.86Å; Y98-I119 HydrophobicContact CD1-CB 4.15Å; Y98-I119 HydrophobicContact CD1-CG2 3.91Å; Y98-I119 HydrophobicContact CE1-CB 4.32Å; Y98-I119 HydrophobicContact CE1-CG2 3.61Å; Y98-R121 WeakPolarHBondContact OH-CB 3.36Å; Y98-R121 WeakPolarHBondContact OH-CD 3.27Å
99	R	97.6	Very high	97.8	Very high	49 Å²	49	58.8 Å²	58.8	19%	0.185	27%	0.272	C	S	.	.	H	α-helix	trans	-61.3	-44.4	169.6	176.4	-168.8	-62.5	177.5	-11.9	111	E43 P44 T95 Q96 T97 R103	E43-R99 VanDerWaalsContact CG-NH2 3.34Å; E43-R99 VanDerWaalsContact OE2-CD 3.26Å; E43-R99 WeakPolarHBondContact OE2-CD 3.21Å; E43-R99 IonicContact OE2-CZ 2.94Å; E43-R99 IonicContact OE2-NE 3.55Å; E43-R99 PolarHBondContact OE2-NE 2.94Å; E43-R99 IonicContact OE2-NH1 3.8Å; E43-R99 IonicContact OE2-NH2 2.73Å; E43-R99 PolarHBondContact OE2-NH2 2.95Å; P44-R99 HydrophobicContact CG-CB 4.46Å; P44-R99 HydrophobicContact CG-CG 4.23Å; T95-R99 PolarHBondContact O-N 3.29Å; Q96-R99 WeakPolarHBondContact O-CB 3.35Å; Q96-R99 PolarHBondContact O-N 2.85Å; Q96-R99 VanDerWaalsContact O-N 3.16Å; T97-R99 PolarHBondContact O-N 3.43Å; R99-R103 PolarHBondContact O-N 3.4Å
100	E	97.6	Very high	97.7	Very high	121 Å²	121	60.6 Å²	60.6	57%	0.565	29%	0.285	S	S	*	.	H	α-helix	trans	-69.6	-37.8	176.4	-66.7	-178.2	176.6	0	0	112.5	Q96 T97 Y98 L102 R103 T104	Q96-E100 PolarHBondContact O-N 3.45Å; Q96-E100 VanDerWaalsContact O-N 3.14Å; T97-E100 PolarHBondContact O-N 2.81Å; Y98-E100 VanDerWaalsContact C-N 3.34Å; E100-L102 PolarHBondContact O-N 2.88Å; E100-R103 PolarHBondContact O-N 2.74Å; E100-T104 WeakPolarHBondContact O-CB 3.36Å; E100-T104 PolarHBondContact O-N 2.76Å; E100-T104 PolarHBondContact O-OG1 3Å
101	N	97.9	Very high	97.7	Very high	59 Å²	59	60.9 Å²	60.9	32%	0.316	29%	0.286	S	S	.	.	H	α-helix	trans	-62.2	-42.4	175.6	-68.7	-14.8	0	0	0	111.4	T97 Y98 R103 T104 A105 I119	T97-N101 PolarHBondContact O-N 3.17Å; T97-N101 PolarHBondContact O-ND2 3.21Å; T97-N101 PolarHBondContact O-OD1 3Å; Y98-N101 PolarHBondContact O-N 3Å; N101-R103 PolarHBondContact O-N 2.95Å; N101-T104 PolarHBondContact O-N 3.16Å; N101-T104 VanDerWaalsContact O-N 3.15Å; N101-A105 WeakPolarHBondContact O-CB 3.32Å; N101-A105 PolarHBondContact O-N 3.17Å; N101-I119 HydrophobicContact CB-CD1 3.7Å
102	L	98.1	Very high	97.5	Very high	4 Å²	4	64.8 Å²	64.8	2%	0.021	31%	0.313	C	S	.	.	H	α-helix	trans	-58.8	-45.9	175	-79.1	163.7	0	0	0	111.5	A35 P44 Y98 E100 T104 A105 L106 H117 I119 Y142	A35-L102 HydrophobicContact CB-CD1 4.16Å; P44-L102 HydrophobicContact CB-CD1 3.6Å; P44-L102 HydrophobicContact CG-CD1 3.86Å; Y98-L102 WeakPolarHBondContact O-CB 3.39Å; Y98-L102 WeakPolarHBondContact O-CG 3.44Å; Y98-L102 PolarHBondContact O-N 2.86Å; E100-L102 PolarHBondContact O-N 2.88Å; L102-T104 VanDerWaalsContact C-N 3.29Å; L102-T104 PolarHBondContact O-N 3.01Å; L102-A105 PolarHBondContact O-N 2.72Å; L102-L106 WeakPolarHBondContact O-CG 3.33Å; L102-L106 PolarHBondContact O-N 3.18Å; L102-L106 VanDerWaalsContact O-N 3.08Å; L102-H117 HydrophobicContact CD2-CB 4.14Å; L102-I119 HydrophobicContact CB-CD1 4.45Å; L102-I119 HydrophobicContact CD2-CD1 3.92Å; L102-I119 HydrophobicContact CD2-CG1 3.8Å; L102-I119 HydrophobicContact CG-CD1 3.87Å; L102-I119 HydrophobicContact CG-CG1 4.24Å; L102-Y142 HydrophobicContact CD2-CE2 4.44Å
103	R	96.9	Very high	97.2	Very high	139 Å²	139	68.4 Å²	68.4	53%	0.525	33%	0.331	S	S	.	.	H	α-helix	trans	-63.5	-35.4	175.8	-67.8	175.4	-177.6	164.5	1.2	112.4	R99 E100 N101 R107	R99-R103 PolarHBondContact O-N 3.4Å; E100-R103 PolarHBondContact O-N 2.74Å; N101-R103 PolarHBondContact O-N 2.95Å; R103-R107 PolarHBondContact O-N 3.23Å
104	T	97.7	Very high	96.9	Very high	31 Å²	31	68.9 Å²	68.9	19%	0.19	34%	0.342	C	S	.	.	H	α-helix	trans	-72.2	-42.9	178.5	-63.6	0	0	0	0	111.7	E100 N101 L102 L106 R107 Y108	E100-T104 WeakPolarHBondContact O-CB 3.36Å; E100-T104 PolarHBondContact O-N 2.76Å; E100-T104 PolarHBondContact O-OG1 3Å; N101-T104 PolarHBondContact O-N 3.16Å; N101-T104 VanDerWaalsContact O-N 3.15Å; L102-T104 VanDerWaalsContact C-N 3.29Å; L102-T104 PolarHBondContact O-N 3.01Å; T104-L106 PolarHBondContact O-N 3.23Å; T104-R107 PolarHBondContact O-N 2.97Å; T104-R107 VanDerWaalsContact O-N 3.15Å; T104-R107 PolarHBondContact OG1-NH2 2.79Å; T104-R107 VanDerWaalsContact OG1-NH2 3.09Å; T104-Y108 HydrophobicContact CG2-CD1 4.27Å; T104-Y108 HydrophobicContact CG2-CD2 4.25Å; T104-Y108 HydrophobicContact CG2-CE1 3.7Å; T104-Y108 HydrophobicContact CG2-CE2 3.7Å; T104-Y108 PolarHBondContact O-N 3.34Å
105	A	97.3	Very high	96.6	Very high	9 Å²	9	69 Å²	69	7%	0.074	35%	0.349	C	S	.	.	H	α-helix	trans	-59.3	-45.9	175.7	0	0	0	0	0	111.4	N101 L102 R107 Y108 Y109 Y142	N101-A105 WeakPolarHBondContact O-CB 3.32Å; N101-A105 PolarHBondContact O-N 3.17Å; L102-A105 PolarHBondContact O-N 2.72Å; A105-R107 PolarHBondContact O-N 2.69Å; A105-Y108 PolarHBondContact O-N 3.28Å; A105-Y109 VanDerWaalsContact O-CD2 3.31Å; A105-Y109 WeakPolarHBondContact O-CD2 3.23Å; A105-Y109 PolarHBondContact O-N 2.98Å; A105-Y142 HydrophobicContact CB-CD1 4.42Å; A105-Y142 HydrophobicContact CB-CD2 4.12Å; A105-Y142 HydrophobicContact CB-CE1 4Å; A105-Y142 HydrophobicContact CB-CE2 3.69Å; A105-Y142 HydrophobicContact CB-CG 4.46Å
106	L	97.1	Very high	96.6	Very high	26 Å²	26	72.5 Å²	72.5	14%	0.136	37%	0.374	C	S	.	.	H	α-helix	trans	-50	-44.8	173.8	-77.4	174.4	0	0	0	112.5	L102 T104 N110 Q111 H117	L102-L106 WeakPolarHBondContact O-CG 3.33Å; L102-L106 PolarHBondContact O-N 3.18Å; L102-L106 VanDerWaalsContact O-N 3.08Å; T104-L106 PolarHBondContact O-N 3.23Å; L106-N110 WeakPolarHBondContact O-CA 3.41Å; L106-N110 PolarHBondContact O-N 3.17Å; L106-Q111 HydrophobicContact CD2-CB 3.65Å; L106-Q111 PolarHBondContact O-N 3.04Å; L106-H117 WeakPolarHBondContact CD2-CD2 3.15Å; L106-H117 VanDerWaalsContact CD2-NE2 3.32Å; L106-H117 WeakPolarHBondContact CD2-NE2 3.41Å
107	R	97.3	Very high	96.6	Very high	167 Å²	167	69.1 Å²	69.1	63%	0.63	36%	0.358	S	S	*	.	H	α-helix	trans	-68.9	-43.3	178.4	-68.5	-177.1	-63.7	-160.1	-1.1	112.5	R103 T104 A105 Y109 N110	R103-R107 PolarHBondContact O-N 3.23Å; T104-R107 PolarHBondContact O-N 2.97Å; T104-R107 VanDerWaalsContact O-N 3.15Å; T104-R107 PolarHBondContact OG1-NH2 2.79Å; T104-R107 VanDerWaalsContact OG1-NH2 3.09Å; A105-R107 PolarHBondContact O-N 2.69Å; R107-Y109 VanDerWaalsContact C-N 3.26Å; R107-Y109 PolarHBondContact O-N 3.46Å; R107-N110 PolarHBondContact O-N 2.8Å
108	Y	97.7	Very high	96.6	Very high	49 Å²	49	68.4 Å²	68.4	19%	0.192	35%	0.352	C	S	.	.	H	α-helix	trans	-63.1	-35.6	180	-68.1	-8.7	0	0	0	112.4	T104 A105 I166 K170	T104-Y108 HydrophobicContact CG2-CD1 4.27Å; T104-Y108 HydrophobicContact CG2-CD2 4.25Å; T104-Y108 HydrophobicContact CG2-CE1 3.7Å; T104-Y108 HydrophobicContact CG2-CE2 3.7Å; T104-Y108 PolarHBondContact O-N 3.34Å; A105-Y108 PolarHBondContact O-N 3.28Å; Y108-I166 HydrophobicContact CD1-CD1 4.24Å; Y108-I166 HydrophobicContact CE1-CD1 4.44Å; Y108-I166 HydrophobicContact CE1-CG2 3.99Å; Y108-I166 HydrophobicContact CE2-CB 4.22Å; Y108-I166 HydrophobicContact CE2-CG2 4.06Å; Y108-I166 HydrophobicContact CG-CD1 4.36Å; Y108-I166 WeakPolarHBondContact OH-CG2 3.17Å; Y108-K170 PolarHBondContact OH-NZ 2.93Å
109	Y	97.6	Very high	96.6	Very high	64 Å²	64	68.7 Å²	68.7	25%	0.251	35%	0.354	S	S	.	.	T	Hydrogen-bonded Turn	trans	-94.5	2.6	179.9	-69.9	-73.8	0	0	0	114.2	A105 R107 Q111 Y142 Y147 D161 A163	A105-Y109 VanDerWaalsContact O-CD2 3.31Å; A105-Y109 WeakPolarHBondContact O-CD2 3.23Å; A105-Y109 PolarHBondContact O-N 2.98Å; R107-Y109 VanDerWaalsContact C-N 3.26Å; R107-Y109 PolarHBondContact O-N 3.46Å; Y109-Q111 PolarHBondContact O-N 3.19Å; Y109-Y142 AromaticContact CD2-CD1 3.7Å; Y109-Y142 HydrophobicContact CD2-CD1 3.7Å; Y109-Y142 AromaticContact CD2-CE1 3.45Å; Y109-Y142 HydrophobicContact CD2-CE1 3.45Å; Y109-Y142 VanDerWaalsContact CD2-CE1 3.45Å; Y109-Y142 AromaticContact CE2-CD1 3.42Å; Y109-Y142 HydrophobicContact CE2-CD1 3.42Å; Y109-Y142 VanDerWaalsContact CE2-CD1 3.42Å; Y109-Y142 AromaticContact CE2-CE1 3.72Å; Y109-Y142 HydrophobicContact CE2-CE1 3.72Å; Y109-Y142 HydrophobicContact CE2-CG 4.42Å; Y109-Y142 HydrophobicContact CG-CE1 4.26Å; Y109-Y147 HydrophobicContact CE2-CD2 4.39Å; Y109-Y147 HydrophobicContact CE2-CE2 4.02Å; Y109-Y147 VanDerWaalsContact OH-CD2 3.27Å; Y109-Y147 WeakPolarHBondContact OH-CD2 3.23Å; Y109-Y147 WeakPolarHBondContact OH-CE2 3.28Å; Y109-D161 WeakPolarHBondContact CE1-OD2 3.3Å; Y109-D161 VanDerWaalsContact OH-CG 3.25Å; Y109-D161 PolarHBondContact OH-OD1 3.14Å; Y109-D161 PolarHBondContact OH-OD2 3.27Å; Y109-A163 HydrophobicContact CD1-CB 4.11Å; Y109-A163 HydrophobicContact CD2-CB 4.32Å; Y109-A163 HydrophobicContact CE1-CB 3.57Å; Y109-A163 HydrophobicContact CE2-CB 3.8Å; Y109-A163 HydrophobicContact CG-CB 4.46Å; Y109-A163 VanDerWaalsContact CZ-CB 3.41Å
110	N	96.8	Very high	96.6	Very high	150 Å²	150	69.7 Å²	69.7	80%	0.802	36%	0.36	S	S	*	.	T	Hydrogen-bonded Turn	trans	51.5	40.5	-175.6	-57.7	-60.4	0	0	0	113.2	L106 R107	L106-N110 WeakPolarHBondContact O-CA 3.41Å; L106-N110 PolarHBondContact O-N 3.17Å; R107-N110 PolarHBondContact O-N 2.8Å
111	Q	96.8	Very high	96.7	Very high	66 Å²	66	66.2 Å²	66.2	31%	0.308	34%	0.342	S	S	.	.			trans	-90.3	155.3	-177.7	-72.7	166.9	-36.4	0	0	112.2	L106 Y109 H117 Y142	L106-Q111 HydrophobicContact CD2-CB 3.65Å; L106-Q111 PolarHBondContact O-N 3.04Å; Y109-Q111 PolarHBondContact O-N 3.19Å; Q111-H117 VanDerWaalsContact CD-CE1 3.44Å; Q111-H117 PolarHBondContact NE2-CE1 2.91Å; Q111-H117 PolarHBondContact OE1-CE1 3.17Å; Q111-Y142 PolarHBondContact OE1-OH 3.33Å
112	S	94.2	Very high	96.7	Very high	82 Å²	82	64.1 Å²	64.1	57%	0.573	33%	0.331	S	S	*	.			trans	-75.3	142.9	177.7	179.7	0	0	0	0	112	A114 G115	S112-A114 PolarHBondContact O-N 3.09Å; S112-A114 PolarHBondContact OG-N 2.89Å; S112-G115 PolarHBondContact O-N 3.4Å
113	E	91.8	Very high	96.8	Very high	164 Å²	164	64.9 Å²	64.9	77%	0.766	33%	0.333	S	S	*	.	T	Hydrogen-bonded Turn	trans	-66.3	-13.6	173.2	-61	-172.1	170	0	0	113.9	P39 G115	P39-E113 WeakPolarHBondContact CB-O 3.19Å; P39-E113 WeakPolarHBondContact CG-O 3.22Å; E113-G115 VanDerWaalsContact C-N 3.26Å; E113-G115 PolarHBondContact O-N 2.76Å
114	A	92.6	Very high	96.8	Very high	81 Å²	81	58.2 Å²	58.2	67%	0.669	31%	0.308	S	S	*	.	T	Hydrogen-bonded Turn	trans	-75.3	-16.9	175.8	0	0	0	0	0	112.8	S112	S112-A114 PolarHBondContact O-N 3.09Å; S112-A114 PolarHBondContact OG-N 2.89Å
115	G	92.9	Very high	96.9	Very high	26 Å²	26	56.8 Å²	56.8	27%	0.268	30%	0.299	S	S	.	.	S	Bend	trans	-77.1	140.5	-179.5	0	0	0	0	0	113.2	P39 S112 E113 H117	P39-G115 WeakPolarHBondContact CG-O 3.47Å; S112-G115 PolarHBondContact O-N 3.4Å; E113-G115 VanDerWaalsContact C-N 3.26Å; E113-G115 PolarHBondContact O-N 2.76Å; G115-H117 PolarHBondContact O-CD2 2.98Å
116	S	96.3	Very high	96.9	Very high	88 Å²	88	57.5 Å²	57.5	62%	0.615	30%	0.302	S	S	*	.			trans	-84.7	130.5	166.3	-172.5	0	0	0	0	108.8	S37	S37-S116 PolarHBondContact O-OG 2.89Å
117	H	97.9	Very high	96.9	Very high	17 Å²	17	56.4 Å²	56.4	8%	0.079	30%	0.296	C	S	.	.			trans	-133.4	154.4	-175.3	-64.1	-79.1	0	0	0	110.7	M36 S37 L102 L106 Q111 G115 Y142 D143	M36-H117 WeakPolarHBondContact CA-O 3.44Å; S37-H117 PolarHBondContact N-O 3.48Å; S37-H117 PolarHBondContact OG-N 3.43Å; S37-H117 PolarHBondContact OG-O 3.27Å; L102-H117 HydrophobicContact CD2-CB 4.14Å; L106-H117 WeakPolarHBondContact CD2-CD2 3.15Å; L106-H117 VanDerWaalsContact CD2-NE2 3.32Å; L106-H117 WeakPolarHBondContact CD2-NE2 3.41Å; Q111-H117 VanDerWaalsContact CD-CE1 3.44Å; Q111-H117 PolarHBondContact NE2-CE1 2.91Å; Q111-H117 PolarHBondContact OE1-CE1 3.17Å; G115-H117 PolarHBondContact O-CD2 2.98Å; H117-Y142 HydrophobicContact CB-CE2 3.88Å; H117-Y142 VanDerWaalsContact CG-OH 3.29Å; H117-Y142 AromaticContact ND1-CZ 3.86Å; H117-Y142 PolarHBondContact ND1-OH 2.9Å; H117-D143 VanDerWaalsContact CA-OD1 3.23Å; H117-D143 WeakPolarHBondContact CA-OD1 3.4Å; H117-D143 WeakPolarHBondContact CB-OD1 3.14Å; H117-D143 IonicContact CE1-OD2 3.45Å; H117-D143 IonicContact CG-OD1 3.71Å; H117-D143 IonicContact CG-OD2 2.62Å; H117-D143 IonicContact ND1-OD1 3.04Å; H117-D143 IonicContact ND1-OD2 2.81Å; H117-D143 PolarHBondContact ND1-OD2 2.98Å
118	I	98.2	Very high	96.7	Very high	39 Å²	39	48.8 Å²	48.8	20%	0.2	27%	0.27	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-130.9	131.3	-176.6	-173.9	170.7	0	0	0	110.7	T34 A35 M36 Q120 Y142 D143	T34-I118 HydrophobicContact CG2-CD1 3.65Å; T34-I118 HydrophobicContact CG2-CG1 3.97Å; A35-I118 CarbonylContact O-C 3.58Å; A35-I118 VanDerWaalsContact O-CA 3.32Å; A35-I118 WeakPolarHBondContact O-CA 3.24Å; M36-I118 HydrophobicContact CG-CB 4.37Å; M36-I118 HydrophobicContact CG-CD1 3.89Å; M36-I118 HydrophobicContact CG-CG1 3.9Å; M36-I118 HydrophobicContact SD-CD1 4.49Å; I118-Q120 HydrophobicContact CD1-CG 4.05Å; I118-Q120 HydrophobicContact CG1-CG 3.97Å; I118-Y142 WeakPolarHBondContact O-CA 3.35Å; I118-Y142 VanDerWaalsContact O-CD2 3.29Å; I118-Y142 WeakPolarHBondContact O-CD2 3.5Å; I118-D143 PolarHBondContact N-OD1 2.82Å; I118-D143 PolarHBondContact O-N 3.21Å
119	I	98.6	Very high	96.3	Very high	11 Å²	11	51.2 Å²	51.2	6%	0.056	29%	0.291	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-111.5	130.6	165.5	-62.2	172.3	0	0	0	107.7	A35 Y98 N101 L102 A141 Y142	A35-I119 PolarHBondContact N-O 3.06Å; A35-I119 PolarHBondContact O-N 3.02Å; Y98-I119 HydrophobicContact CD1-CB 4.15Å; Y98-I119 HydrophobicContact CD1-CG2 3.91Å; Y98-I119 HydrophobicContact CE1-CB 4.32Å; Y98-I119 HydrophobicContact CE1-CG2 3.61Å; N101-I119 HydrophobicContact CB-CD1 3.7Å; L102-I119 HydrophobicContact CB-CD1 4.45Å; L102-I119 HydrophobicContact CD2-CD1 3.92Å; L102-I119 HydrophobicContact CD2-CG1 3.8Å; L102-I119 HydrophobicContact CG-CD1 3.87Å; L102-I119 HydrophobicContact CG-CG1 4.24Å; I119-A141 WeakPolarHBondContact CA-O 3.5Å; I119-Y142 HydrophobicContact CD1-CD2 4.46Å; I119-Y142 HydrophobicContact CG1-CD2 3.58Å; I119-Y142 HydrophobicContact CG1-CE2 4.06Å
120	Q	98.6	Very high	95.9	Very high	71 Å²	71	53.1 Å²	53.1	33%	0.332	31%	0.306	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-117.7	146.4	173.4	-60.7	174.9	-89	0	0	109.6	Y33 T34 I118 L140 A141	Y33-Q120 CarbonylContact O-C 3.58Å; Y33-Q120 VanDerWaalsContact O-CA 3.26Å; Y33-Q120 WeakPolarHBondContact O-CA 3.35Å; T34-Q120 HydrophobicContact CG2-CG 4.29Å; I118-Q120 HydrophobicContact CD1-CG 4.05Å; I118-Q120 HydrophobicContact CG1-CG 3.97Å; Q120-L140 CarbonylContact O-C 3.58Å; Q120-L140 VanDerWaalsContact O-CA 3.25Å; Q120-L140 WeakPolarHBondContact O-CA 3.32Å; Q120-A141 HydrophobicContact CB-CB 4.44Å; Q120-A141 PolarHBondContact N-O 2.97Å; Q120-A141 PolarHBondContact O-N 3.27Å
121	R	98.5	Very high	95.5	Very high	47 Å²	47	46.9 Å²	46.9	18%	0.177	28%	0.277	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-135	136.8	170.6	179.8	-178.9	178.3	-165.6	0.3	109.8	F32 Y33 Y98 Y123 N138 Q139 L140	F32-R121 CarbonylContact C-O 3.6Å; F32-R121 WeakPolarHBondContact CA-O 3.38Å; Y33-R121 PolarHBondContact N-O 3.37Å; Y33-R121 PolarHBondContact O-N 2.95Å; Y98-R121 WeakPolarHBondContact OH-CB 3.36Å; Y98-R121 WeakPolarHBondContact OH-CD 3.27Å; R121-Y123 HydrophobicContact CG-CD1 4.28Å; R121-N138 PolarHBondContact NE-OD1 3.21Å; R121-N138 PolarHBondContact NH2-OD1 2.93Å; R121-Q139 CarbonylContact C-O 3.53Å; R121-Q139 VanDerWaalsContact CA-O 3.27Å; R121-Q139 WeakPolarHBondContact CA-O 3.28Å; R121-L140 HydrophobicContact CB-CD1 4.48Å; R121-L140 HydrophobicContact CB-CG 4.09Å; R121-L140 HydrophobicContact CG-CD1 3.91Å; R121-L140 HydrophobicContact CG-CG 4.08Å
122	M	98.6	Very high	95.4	Very high	16 Å²	16	51.9 Å²	51.9	8%	0.079	29%	0.293	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-119.3	129	166	-174.5	-77.3	-70.1	0	0	108	Y31 F32 H137 N138 Q139	Y31-M122 WeakPolarHBondContact O-CA 3.47Å; F32-M122 HydrophobicContact CD1-CB 4.01Å; F32-M122 HydrophobicContact CD1-CG 3.73Å; F32-M122 HydrophobicContact CE1-CB 4.09Å; F32-M122 HydrophobicContact CE1-CG 3.38Å; F32-M122 HydrophobicContact CZ-CG 4Å; M122-H137 HydrophobicContact CE-CB 3.78Å; M122-H137 HydrophobicContact SD-CB 3.95Å; M122-N138 CarbonylContact O-C 3.58Å; M122-N138 WeakPolarHBondContact O-CA 3.36Å; M122-Q139 HydrophobicContact CB-CG 4.09Å; M122-Q139 VanDerWaalsContact CE-CD 3.5Å; M122-Q139 HydrophobicContact CE-CG 4Å; M122-Q139 VanDerWaalsContact CE-NE2 3.34Å; M122-Q139 PolarHBondContact N-O 2.74Å; M122-Q139 PolarHBondContact O-N 3.27Å
123	Y	98.6	Very high	95.5	Very high	19 Å²	19	50.5 Å²	50.5	8%	0.075	28%	0.279	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-144.7	156.7	170.6	73.5	-79.5	0	0	0	110.5	Y31 Y33 R121 H137 Y183	Y31-Y123 VanDerWaalsContact CB-CZ 3.5Å; Y31-Y123 AromaticContact CD2-CE2 3.91Å; Y31-Y123 HydrophobicContact CD2-CE2 3.91Å; Y31-Y123 AromaticContact CD2-CZ 3.76Å; Y31-Y123 HydrophobicContact CG-CE1 4.18Å; Y31-Y123 HydrophobicContact CG-CE2 4.38Å; Y31-Y123 AromaticContact CG-CZ 3.78Å; Y31-Y123 PolarHBondContact N-O 3.47Å; Y31-Y123 PolarHBondContact O-N 3.36Å; Y31-Y123 VanDerWaalsContact O-N 3.14Å; Y33-Y123 HydrophobicContact CD1-CE1 4.22Å; Y33-Y123 HydrophobicContact CD2-CE1 4.48Å; Y33-Y123 AromaticContact CE1-CE1 3.56Å; Y33-Y123 HydrophobicContact CE1-CE1 3.56Å; Y33-Y123 AromaticContact CE2-CE1 3.88Å; Y33-Y123 HydrophobicContact CE2-CE1 3.88Å; Y33-Y123 AromaticContact CZ-CE1 3.4Å; Y33-Y123 AromaticContact CZ-CZ 3.86Å; Y33-Y123 PolarHBondContact OH-OH 3.21Å; R121-Y123 HydrophobicContact CG-CD1 4.28Å; Y123-H137 WeakPolarHBondContact CA-O 3.47Å; Y123-H137 VanDerWaalsContact CB-O 3.28Å; Y123-H137 WeakPolarHBondContact CB-O 3.33Å; Y123-Y183 AromaticContact CD2-CE1 3.85Å; Y123-Y183 HydrophobicContact CD2-CE1 3.85Å; Y123-Y183 AromaticContact CE2-CE1 3.74Å; Y123-Y183 HydrophobicContact CE2-CE1 3.74Å; Y123-Y183 AromaticContact CE2-CZ 3.91Å
124	G	98.6	Very high	95.7	Very high	0 Å²	0	48.7 Å²	48.7	0%	0	27%	0.273	C	S	.	.	E	Extended strand (participates in β ladder)	trans	159.2	-177.5	-175.5	0	0	0	0	0	113.6	M29 H137 L184	M29-G124 CarbonylContact O-C 3.59Å; M29-G124 WeakPolarHBondContact O-CA 3.48Å; G124-H137 PolarHBondContact N-O 3.29Å; G124-H137 PolarHBondContact O-N 2.81Å; G124-L184 WeakPolarHBondContact O-CD2 3.24Å
125	C	98.6	Very high	95.9	Very high	0 Å²	0	49.9 Å²	49.9	0%	0	26%	0.261	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-132.3	148	-176.3	50.6	0	0	0	0	110.7	S28 M29 L133 R135 C188	S28-C125 WeakPolarHBondContact CA-O 3.27Å; M29-C125 PolarHBondContact N-O 2.88Å; M29-C125 PolarHBondContact O-N 3.44Å; C125-L133 HydrophobicContact CB-CD1 3.58Å; C125-R135 CarbonylContact C-O 3.56Å; C125-R135 WeakPolarHBondContact CA-O 3.44Å; C125-C188 HydrophobicContact CB-CB 3.94Å; C125-C188 WeakPolarHBondContact CB-SG 3.39Å; C125-C188 PolarHBondContact N-SG 2.88Å; C125-C188 WeakPolarHBondContact SG-CB 3.31Å; C125-C188 PolarHBondContact SG-O 2.62Å; C125-C188 CovalentContact SG-SG 2.05Å; C125-C188 PolarHBondContact SG-SG 3.43Å
126	D	98.1	Very high	96.2	Very high	24 Å²	24	48.9 Å²	48.9	13%	0.128	25%	0.25	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-112.6	135.3	173.5	-53.5	-21.7	0	0	0	108.3	H27 S28 R30 L134 R135 H137	H27-D126 CarbonylContact O-C 3.56Å; H27-D126 WeakPolarHBondContact O-CA 3.33Å; S28-D126 VanDerWaalsContact CB-OD1 3.23Å; S28-D126 WeakPolarHBondContact CB-OD1 3.49Å; R30-D126 IonicContact CZ-OD1 3.61Å; R30-D126 IonicContact NE-OD1 4Å; R30-D126 PolarHBondContact NE-OD1 2.89Å; R30-D126 VanDerWaalsContact NH2-CG 3.28Å; R30-D126 IonicContact NH2-OD1 2.99Å; R30-D126 PolarHBondContact NH2-OD1 3.14Å; R30-D126 IonicContact NH2-OD2 3.92Å; R30-D126 PolarHBondContact NH2-OD2 3.39Å; D126-L134 HydrophobicContact CB-CB 4.48Å; D126-L134 PolarHBondContact O-N 2.81Å; D126-R135 HydrophobicContact CB-CB 4.34Å; D126-R135 PolarHBondContact N-O 2.98Å; D126-R135 PolarHBondContact O-N 3.21Å; D126-H137 IonicContact OD1-CD2 3.57Å; D126-H137 IonicContact OD1-NE2 3.4Å; D126-H137 IonicContact OD2-CD2 2.72Å; D126-H137 IonicContact OD2-CE1 3.48Å; D126-H137 IonicContact OD2-NE2 3.53Å; D126-H137 PolarHBondContact OD2-NE2 2.9Å
127	L	97.1	Very high	96.3	Very high	4 Å²	4	45.7 Å²	45.7	2%	0.021	23%	0.226	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-107.1	138	174.6	-55.4	-177.4	0	0	0	110.1	S26 H27 R132 V189 L192 R193	S26-L127 VanDerWaalsContact CA-O 3.3Å; S26-L127 WeakPolarHBondContact CA-O 3.37Å; S26-L127 WeakPolarHBondContact CB-O 3.45Å; H27-L127 PolarHBondContact N-O 3.45Å; H27-L127 VanDerWaalsContact N-O 3.12Å; H27-L127 PolarHBondContact O-N 2.9Å; L127-R132 CarbonylContact C-O 3.53Å; L127-R132 VanDerWaalsContact CA-O 3.23Å; L127-R132 WeakPolarHBondContact CA-O 3.06Å; L127-V189 HydrophobicContact CD2-CB 4.23Å; L127-V189 HydrophobicContact CD2-CG1 3.78Å; L127-V189 HydrophobicContact CD2-CG2 3.88Å; L127-L192 HydrophobicContact CD1-CB 4.29Å; L127-L192 HydrophobicContact CD1-CD2 3.65Å; L127-L192 HydrophobicContact CD1-CG 3.75Å; L127-L192 HydrophobicContact CD2-CD2 4.5Å; L127-L192 HydrophobicContact CG-CD2 3.58Å; L127-L192 HydrophobicContact CG-CG 4.26Å; L127-R193 HydrophobicContact CD1-CG 4.03Å
128	G	93.7	Very high	96.3	Very high	7 Å²	7	45 Å²	45	7%	0.072	22%	0.222	C	C	.	.			trans	-72.8	175.1	166.9	0	0	0	0	0	112	D130 G131 R132	G128-D130 PolarHBondContact O-N 3.46Å; G128-D130 VanDerWaalsContact O-N 3.13Å; G128-G131 WeakPolarHBondContact O-CA 3.43Å; G128-G131 PolarHBondContact O-N 3.33Å; G128-R132 PolarHBondContact N-O 3.11Å
129	P	89.2	Confident	96.3	Very high	99 Å²	99	47 Å²	47	64%	0.643	23%	0.231	S	C	*	.	T	Hydrogen-bonded Turn	trans	-59.9	-22.1	177.4	-24.5	34.9	0	0	0	114.8	G25 G131	G25-P129 WeakPolarHBondContact O-CA 3.39Å; P129-G131 PolarHBondContact O-N 3.12Å
130	D	88.9	Confident	96.3	Very high	105 Å²	105	47.2 Å²	47.2	56%	0.561	23%	0.232	S	C	*	.	T	Hydrogen-bonded Turn	trans	-81.7	2.2	173.9	69.8	-14	0	0	0	113.2	G128 R132	G128-D130 PolarHBondContact O-N 3.46Å; G128-D130 VanDerWaalsContact O-N 3.13Å; D130-R132 PolarHBondContact O-N 3.16Å; D130-R132 WeakPolarHBondContact OD1-CB 3.48Å; D130-R132 PolarHBondContact OD1-N 3.32Å; D130-R132 WeakPolarHBondContact OD2-CD 3.39Å; D130-R132 WeakPolarHBondContact OD2-CG 3.4Å; D130-R132 IonicContact OD2-NE 3.79Å
131	G	88.7	Confident	96.3	Very high	18 Å²	18	44.6 Å²	44.6	19%	0.186	22%	0.223	C	C	.	.	S	Bend	trans	72.1	10.3	-178.4	0	0	0	0	0	114.1	G128 P129 R193	G128-G131 WeakPolarHBondContact O-CA 3.43Å; G128-G131 PolarHBondContact O-N 3.33Å; P129-G131 PolarHBondContact O-N 3.12Å; G131-R193 VanDerWaalsContact O-CZ 3.3Å; G131-R193 PolarHBondContact O-NE 2.85Å; G131-R193 PolarHBondContact O-NH2 3.15Å
132	R	93.6	Very high	96.3	Very high	172 Å²	172	42.9 Å²	42.9	65%	0.649	22%	0.216	S	C	*	.	S	Bend	trans	-89.8	155.5	177.6	-62.2	-173.3	-179	169.8	-3.1	111.2	L127 G128 D130 L134	L127-R132 CarbonylContact C-O 3.53Å; L127-R132 VanDerWaalsContact CA-O 3.23Å; L127-R132 WeakPolarHBondContact CA-O 3.06Å; G128-R132 PolarHBondContact N-O 3.11Å; D130-R132 PolarHBondContact O-N 3.16Å; D130-R132 WeakPolarHBondContact OD1-CB 3.48Å; D130-R132 PolarHBondContact OD1-N 3.32Å; D130-R132 WeakPolarHBondContact OD2-CD 3.39Å; D130-R132 WeakPolarHBondContact OD2-CG 3.4Å; D130-R132 IonicContact OD2-NE 3.79Å; R132-L134 PolarHBondContact O-N 3.26Å; R132-L134 VanDerWaalsContact O-N 3.12Å
133	L	96.8	Very high	96.3	Very high	52 Å²	52	44.5 Å²	44.5	27%	0.272	23%	0.225	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-58	118.3	174.9	-176.9	72	0	0	0	109.6	C125 R135 L154 E185 V189	C125-L133 HydrophobicContact CB-CD1 3.58Å; L133-R135 WeakPolarHBondContact CD1-O 3.4Å; L133-L154 HydrophobicContact CD2-CD1 4.24Å; L133-E185 HydrophobicContact CD2-CB 4.37Å; L133-E185 HydrophobicContact CD2-CG 3.64Å; L133-V189 HydrophobicContact CB-CG2 4.05Å; L133-V189 HydrophobicContact CD1-CG2 4.06Å
134	L	96.4	Very high	96.1	Very high	126 Å²	126	48.1 Å²	48.1	66%	0.66	25%	0.254	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-90.2	-45.1	171.1	-179.2	64.6	0	0	0	110.3	D126 R132	D126-L134 HydrophobicContact CB-CB 4.48Å; D126-L134 PolarHBondContact O-N 2.81Å; R132-L134 PolarHBondContact O-N 3.26Å; R132-L134 VanDerWaalsContact O-N 3.12Å
135	R	96.8	Very high	96	Very high	106 Å²	106	55.7 Å²	55.7	40%	0.4	29%	0.286	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-155.2	138.9	-176.5	-171.2	172.4	174.8	138.8	8.8	111.9	C125 D126 L133 H137 E152	C125-R135 CarbonylContact C-O 3.56Å; C125-R135 WeakPolarHBondContact CA-O 3.44Å; D126-R135 HydrophobicContact CB-CB 4.34Å; D126-R135 PolarHBondContact N-O 2.98Å; D126-R135 PolarHBondContact O-N 3.21Å; L133-R135 WeakPolarHBondContact CD1-O 3.4Å; R135-H137 WeakPolarHBondContact CD-CE1 3.5Å; R135-H137 PolarHBondContact NE-CE1 2.95Å; R135-E152 IonicContact CZ-OE1 2.76Å; R135-E152 IonicContact NH1-OE1 3.72Å; R135-E152 PolarHBondContact NH1-OE1 2.77Å; R135-E152 IonicContact NH2-OE1 2.71Å; R135-E152 PolarHBondContact NH2-OE1 2.75Å
136	G	98.1	Very high	96	Very high	5 Å²	5	61.7 Å²	61.7	5%	0.052	32%	0.319	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-105.5	148.1	168.7	0	0	0	0	0	111.1
137	H	98.3	Very high	96.1	Very high	21 Å²	21	61.6 Å²	61.6	10%	0.097	32%	0.316	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-131.4	139.1	-177.6	-57.3	-92.5	0	0	0	110.8	R30 M122 Y123 G124 D126 R135	R30-H137 PolarHBondContact NH2-NE2 3.25Å; R30-H137 VanDerWaalsContact NH2-NE2 3.1Å; M122-H137 HydrophobicContact CE-CB 3.78Å; M122-H137 HydrophobicContact SD-CB 3.95Å; Y123-H137 WeakPolarHBondContact CA-O 3.47Å; Y123-H137 VanDerWaalsContact CB-O 3.28Å; Y123-H137 WeakPolarHBondContact CB-O 3.33Å; G124-H137 PolarHBondContact N-O 3.29Å; G124-H137 PolarHBondContact O-N 2.81Å; D126-H137 IonicContact OD1-CD2 3.57Å; D126-H137 IonicContact OD1-NE2 3.4Å; D126-H137 IonicContact OD2-CD2 2.72Å; D126-H137 IonicContact OD2-CE1 3.48Å; D126-H137 IonicContact OD2-NE2 3.53Å; D126-H137 PolarHBondContact OD2-NE2 2.9Å; R135-H137 WeakPolarHBondContact CD-CE1 3.5Å; R135-H137 PolarHBondContact NE-CE1 2.95Å
138	N	98.6	Very high	96.1	Very high	2 Å²	2	61.6 Å²	61.6	1%	0.011	32%	0.316	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-157.4	106.4	164.3	179.5	74.5	0	0	0	109.8	R121 M122 L150 L180	R121-N138 PolarHBondContact NE-OD1 3.21Å; R121-N138 PolarHBondContact NH2-OD1 2.93Å; M122-N138 CarbonylContact O-C 3.58Å; M122-N138 WeakPolarHBondContact O-CA 3.36Å; N138-L150 HydrophobicContact CB-CB 3.98Å; N138-L150 HydrophobicContact CB-CD2 4.19Å; N138-L150 WeakPolarHBondContact O-CB 3.22Å; N138-L150 PolarHBondContact O-N 3.42Å; N138-L180 HydrophobicContact CB-CD1 4.29Å; N138-L180 WeakPolarHBondContact ND2-CD1 3.37Å
139	Q	98.4	Very high	96.4	Very high	82 Å²	82	62.6 Å²	62.6	38%	0.383	32%	0.324	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-136.7	143.8	-177.1	65.8	-163.9	29.1	0	0	111.5	R121 M122 I148 A149	R121-Q139 CarbonylContact C-O 3.53Å; R121-Q139 VanDerWaalsContact CA-O 3.27Å; R121-Q139 WeakPolarHBondContact CA-O 3.28Å; M122-Q139 HydrophobicContact CB-CG 4.09Å; M122-Q139 VanDerWaalsContact CE-CD 3.5Å; M122-Q139 HydrophobicContact CE-CG 4Å; M122-Q139 VanDerWaalsContact CE-NE2 3.34Å; M122-Q139 PolarHBondContact N-O 2.74Å; M122-Q139 PolarHBondContact O-N 3.27Å; Q139-I148 WeakPolarHBondContact CA-O 3.35Å; Q139-A149 HydrophobicContact CB-CB 3.95Å
140	L	98.5	Very high	96.9	Very high	15 Å²	15	58.6 Å²	58.6	8%	0.079	30%	0.297	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-121	143.7	178.7	-74	75	0	0	0	109.7	Q120 R121 Y147 I148 W171	Q120-L140 CarbonylContact O-C 3.58Å; Q120-L140 VanDerWaalsContact O-CA 3.25Å; Q120-L140 WeakPolarHBondContact O-CA 3.32Å; R121-L140 HydrophobicContact CB-CD1 4.48Å; R121-L140 HydrophobicContact CB-CG 4.09Å; R121-L140 HydrophobicContact CG-CD1 3.91Å; R121-L140 HydrophobicContact CG-CG 4.08Å; L140-Y147 HydrophobicContact CB-CD1 4.45Å; L140-Y147 WeakPolarHBondContact O-CB 3.45Å; L140-Y147 PolarHBondContact O-N 3.11Å; L140-I148 HydrophobicContact CB-CG2 4.19Å; L140-I148 HydrophobicContact CD1-CG2 4.36Å; L140-I148 PolarHBondContact N-O 3.3Å; L140-I148 PolarHBondContact O-N 2.91Å; L140-W171 HydrophobicContact CD1-CH2 3.85Å; L140-W171 HydrophobicContact CD1-CZ3 4.38Å; L140-W171 HydrophobicContact CD2-CH2 4.11Å
141	A	98.7	Very high	97.3	Very high	16 Å²	16	55.8 Å²	55.8	13%	0.132	28%	0.282	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-124.2	146.8	171	0	0	0	0	0	110.1	I119 Q120 K145	I119-A141 WeakPolarHBondContact CA-O 3.5Å; Q120-A141 HydrophobicContact CB-CB 4.44Å; Q120-A141 PolarHBondContact N-O 2.97Å; Q120-A141 PolarHBondContact O-N 3.27Å; A141-K145 CarbonylContact C-O 3.51Å; A141-K145 WeakPolarHBondContact CA-O 3.33Å; A141-K145 VanDerWaalsContact CB-O 3.26Å; A141-K145 WeakPolarHBondContact CB-O 3.45Å
142	Y	98.6	Very high	97.7	Very high	12 Å²	12	61.3 Å²	61.3	5%	0.047	30%	0.303	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-125.1	127.9	174.2	-176.9	-122.2	0	0	0	109.6	L102 A105 Y109 Q111 H117 I118 I119 S144 K145	L102-Y142 HydrophobicContact CD2-CE2 4.44Å; A105-Y142 HydrophobicContact CB-CD1 4.42Å; A105-Y142 HydrophobicContact CB-CD2 4.12Å; A105-Y142 HydrophobicContact CB-CE1 4Å; A105-Y142 HydrophobicContact CB-CE2 3.69Å; A105-Y142 HydrophobicContact CB-CG 4.46Å; Y109-Y142 AromaticContact CD2-CD1 3.7Å; Y109-Y142 HydrophobicContact CD2-CD1 3.7Å; Y109-Y142 AromaticContact CD2-CE1 3.45Å; Y109-Y142 HydrophobicContact CD2-CE1 3.45Å; Y109-Y142 VanDerWaalsContact CD2-CE1 3.45Å; Y109-Y142 AromaticContact CE2-CD1 3.42Å; Y109-Y142 HydrophobicContact CE2-CD1 3.42Å; Y109-Y142 VanDerWaalsContact CE2-CD1 3.42Å; Y109-Y142 AromaticContact CE2-CE1 3.72Å; Y109-Y142 HydrophobicContact CE2-CE1 3.72Å; Y109-Y142 HydrophobicContact CE2-CG 4.42Å; Y109-Y142 HydrophobicContact CG-CE1 4.26Å; Q111-Y142 PolarHBondContact OE1-OH 3.33Å; H117-Y142 HydrophobicContact CB-CE2 3.88Å; H117-Y142 VanDerWaalsContact CG-OH 3.29Å; H117-Y142 AromaticContact ND1-CZ 3.86Å; H117-Y142 PolarHBondContact ND1-OH 2.9Å; I118-Y142 WeakPolarHBondContact O-CA 3.35Å; I118-Y142 VanDerWaalsContact O-CD2 3.29Å; I118-Y142 WeakPolarHBondContact O-CD2 3.5Å; I119-Y142 HydrophobicContact CD1-CD2 4.46Å; I119-Y142 HydrophobicContact CG1-CD2 3.58Å; I119-Y142 HydrophobicContact CG1-CE2 4.06Å; Y142-S144 PolarHBondContact O-N 2.87Å; Y142-K145 PolarHBondContact N-O 2.88Å; Y142-K145 PolarHBondContact O-N 2.87Å
143	D	97.8	Very high	97.9	Very high	50 Å²	50	57 Å²	57	27%	0.267	29%	0.293	S	S	.	.	T	Hydrogen-bonded Turn	trans	47.9	46.4	-175.3	-66.4	-17.9	0	0	0	112.9	H117 I118 K145	H117-D143 VanDerWaalsContact CA-OD1 3.23Å; H117-D143 WeakPolarHBondContact CA-OD1 3.4Å; H117-D143 WeakPolarHBondContact CB-OD1 3.14Å; H117-D143 IonicContact CE1-OD2 3.45Å; H117-D143 IonicContact CG-OD1 3.71Å; H117-D143 IonicContact CG-OD2 2.62Å; H117-D143 IonicContact ND1-OD1 3.04Å; H117-D143 IonicContact ND1-OD2 2.81Å; H117-D143 PolarHBondContact ND1-OD2 2.98Å; I118-D143 PolarHBondContact N-OD1 2.82Å; I118-D143 PolarHBondContact O-N 3.21Å; D143-K145 PolarHBondContact O-N 3.04Å
144	S	94.2	Very high	98	Very high	95 Å²	95	55.1 Å²	55.1	66%	0.664	28%	0.283	S	S	*	.	T	Hydrogen-bonded Turn	trans	62.6	16.9	179.5	-55.2	0	0	0	0	115.5	Y142	Y142-S144 PolarHBondContact O-N 2.87Å
145	K	98.1	Very high	98	Very high	159 Å²	159	52.3 Å²	52.3	69%	0.691	27%	0.274	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-113.5	143.2	171.3	-62.9	178.8	-177.5	177.8	0	110	A141 Y142 D143 Y147	A141-K145 CarbonylContact C-O 3.51Å; A141-K145 WeakPolarHBondContact CA-O 3.33Å; A141-K145 VanDerWaalsContact CB-O 3.26Å; A141-K145 WeakPolarHBondContact CB-O 3.45Å; Y142-K145 PolarHBondContact N-O 2.88Å; Y142-K145 PolarHBondContact O-N 2.87Å; D143-K145 PolarHBondContact O-N 3.04Å; K145-Y147 PolarHBondContact O-N 2.89Å
146	D	98.6	Very high	98.1	Very high	126 Å²	126	49.1 Å²	49.1	67%	0.674	27%	0.268	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-54	135.9	173.3	-67.7	-33.8	0	0	0	110.1	A160	D146-A160 HydrophobicContact CB-CB 4.48Å; D146-A160 WeakPolarHBondContact O-CB 3.39Å
147	Y	98.7	Very high	98.1	Very high	21 Å²	21	49.5 Å²	49.5	8%	0.082	27%	0.268	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-113.8	-63	-178.5	-179.6	-110.5	0	0	0	110.2	Y109 L140 K145 A160 A163 A164 T167	Y109-Y147 HydrophobicContact CE2-CD2 4.39Å; Y109-Y147 HydrophobicContact CE2-CE2 4.02Å; Y109-Y147 VanDerWaalsContact OH-CD2 3.27Å; Y109-Y147 WeakPolarHBondContact OH-CD2 3.23Å; Y109-Y147 WeakPolarHBondContact OH-CE2 3.28Å; L140-Y147 HydrophobicContact CB-CD1 4.45Å; L140-Y147 WeakPolarHBondContact O-CB 3.45Å; L140-Y147 PolarHBondContact O-N 3.11Å; K145-Y147 PolarHBondContact O-N 2.89Å; Y147-A160 WeakPolarHBondContact O-CB 3.17Å; Y147-A160 PolarHBondContact O-N 2.88Å; Y147-A163 HydrophobicContact CE2-CB 4.42Å; Y147-A163 PolarHBondContact OH-O 2.8Å; Y147-A164 HydrophobicContact CD2-CB 3.83Å; Y147-A164 HydrophobicContact CE1-CB 4.47Å; Y147-A164 HydrophobicContact CE2-CB 3.68Å; Y147-A164 HydrophobicContact CG-CB 4.28Å; Y147-A164 WeakPolarHBondContact O-CB 3.42Å; Y147-T167 HydrophobicContact CE1-CG2 4.23Å; Y147-T167 PolarHBondContact OH-OG1 2.82Å
148	I	98.7	Very high	98.2	Very high	4 Å²	4	52.3 Å²	52.3	2%	0.021	29%	0.287	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-150.1	139.9	178.1	-163.2	173.5	0	0	0	110.6	Q139 L140 W157 T158 T167 Q168 W171	Q139-I148 WeakPolarHBondContact CA-O 3.35Å; L140-I148 HydrophobicContact CB-CG2 4.19Å; L140-I148 HydrophobicContact CD1-CG2 4.36Å; L140-I148 PolarHBondContact N-O 3.3Å; L140-I148 PolarHBondContact O-N 2.91Å; I148-W157 HydrophobicContact CD1-CB 4.28Å; I148-W157 HydrophobicContact CD1-CD2 4.34Å; I148-W157 HydrophobicContact CD1-CE3 4.1Å; I148-W157 HydrophobicContact CD1-CG 4.44Å; I148-W157 HydrophobicContact CG1-CB 4.39Å; I148-W157 HydrophobicContact CG1-CE3 4Å; I148-T158 WeakPolarHBondContact CA-O 3.44Å; I148-T167 HydrophobicContact CD1-CG2 4.22Å; I148-Q168 HydrophobicContact CD1-CB 3.9Å; I148-W171 HydrophobicContact CD1-CE3 4.18Å; I148-W171 HydrophobicContact CD1-CZ3 4.49Å; I148-W171 HydrophobicContact CG2-CH2 4.25Å; I148-W171 HydrophobicContact CG2-CZ3 3.91Å
149	A	98.8	Very high	98.2	Very high	29 Å²	29	53.4 Å²	53.4	24%	0.24	30%	0.296	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-131.5	139.5	178.7	0	0	0	0	0	111.7	Q139 W157 T158	Q139-A149 HydrophobicContact CB-CB 3.95Å; A149-W157 WeakPolarHBondContact O-CA 3.27Å; A149-T158 PolarHBondContact N-O 2.7Å; A149-T158 PolarHBondContact O-N 2.93Å
150	L	98.8	Very high	98.2	Very high	15 Å²	15	52.4 Å²	52.4	8%	0.079	30%	0.302	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-72.5	128.2	167.9	-176.1	68.3	0	0	0	108.3	N138 L154 W157 A177 L180 L184	N138-L150 HydrophobicContact CB-CB 3.98Å; N138-L150 HydrophobicContact CB-CD2 4.19Å; N138-L150 WeakPolarHBondContact O-CB 3.22Å; N138-L150 PolarHBondContact O-N 3.42Å; L150-L154 HydrophobicContact CD2-CD2 3.8Å; L150-L154 HydrophobicContact CG-CD2 4.36Å; L150-W157 HydrophobicContact CB-CE3 4.1Å; L150-W157 HydrophobicContact CB-CH2 4.17Å; L150-W157 HydrophobicContact CB-CZ3 3.7Å; L150-W157 HydrophobicContact CD1-CD2 4.28Å; L150-W157 HydrophobicContact CD1-CE3 4.31Å; L150-W157 HydrophobicContact CD1-CH2 4.01Å; L150-W157 HydrophobicContact CD1-CZ2 3.96Å; L150-W157 HydrophobicContact CD1-CZ3 4.17Å; L150-A177 HydrophobicContact CD1-CB 4.03Å; L150-L180 HydrophobicContact CD2-CB 4.25Å; L150-L180 HydrophobicContact CD2-CD1 4.45Å; L150-L184 HydrophobicContact CD2-CD1 3.94Å
151	N	98.6	Very high	98.1	Very high	45 Å²	45	54.2 Å²	54.2	24%	0.241	31%	0.312	C	S	.	.			trans	-72.6	164	-180	-67.4	-26.1	0	0	0	111.4	D153 L154 S156 T158	N151-D153 PolarHBondContact O-N 3.47Å; N151-D153 VanDerWaalsContact O-N 3.09Å; N151-L154 PolarHBondContact O-N 3.01Å; N151-S156 WeakPolarHBondContact CB-O 3.42Å; N151-S156 WeakPolarHBondContact CB-OG 3.43Å; N151-S156 PolarHBondContact N-O 3.19Å; N151-S156 PolarHBondContact ND2-OG 2.87Å; N151-T158 PolarHBondContact ND2-OG1 3.16Å; N151-T158 WeakPolarHBondContact OD1-CB 3.12Å; N151-T158 PolarHBondContact OD1-OG1 3.03Å
152	E	97.4	Very high	98.1	Very high	135 Å²	135	58.6 Å²	58.6	63%	0.631	34%	0.337	S	S	*	.	T	Hydrogen-bonded Turn	trans	-60.2	-22.1	-178.6	-66.5	-179.1	-175.9	0	0	113.4	R135 L154	R135-E152 IonicContact CZ-OE1 2.76Å; R135-E152 IonicContact NH1-OE1 3.72Å; R135-E152 PolarHBondContact NH1-OE1 2.77Å; R135-E152 IonicContact NH2-OE1 2.71Å; R135-E152 PolarHBondContact NH2-OE1 2.75Å; E152-L154 PolarHBondContact O-N 3.29Å
153	D	97.6	Very high	98.1	Very high	82 Å²	82	58.2 Å²	58.2	44%	0.439	34%	0.336	S	S	.	.	T	Hydrogen-bonded Turn	trans	-71.9	-7	174.2	68.5	19.9	0	0	0	114.1	N151 S155 S156	N151-D153 PolarHBondContact O-N 3.47Å; N151-D153 VanDerWaalsContact O-N 3.09Å; D153-S155 PolarHBondContact O-N 3.34Å; D153-S155 VanDerWaalsContact O-N 3.14Å; D153-S155 WeakPolarHBondContact OD1-CA 3.39Å; D153-S155 PolarHBondContact OD1-N 3.13Å; D153-S155 PolarHBondContact OD1-OG 2.97Å; D153-S155 PolarHBondContact OD2-OG 3.2Å; D153-S156 VanDerWaalsContact CG-OG 3.26Å; D153-S156 PolarHBondContact OD1-N 3.1Å; D153-S156 PolarHBondContact OD1-OG 3.29Å; D153-S156 WeakPolarHBondContact OD2-CB 3.24Å; D153-S156 PolarHBondContact OD2-OG 2.8Å
154	L	98.1	Very high	98.1	Very high	11 Å²	11	55.8 Å²	55.8	6%	0.058	32%	0.323	C	S	.	.	S	Bend	trans	54.1	27	-177.1	-51.9	-178.1	0	0	0	114.2	L133 L150 N151 E152 R181 L184 E185	L133-L154 HydrophobicContact CD2-CD1 4.24Å; L150-L154 HydrophobicContact CD2-CD2 3.8Å; L150-L154 HydrophobicContact CG-CD2 4.36Å; N151-L154 PolarHBondContact O-N 3.01Å; E152-L154 PolarHBondContact O-N 3.29Å; L154-R181 HydrophobicContact CB-CB 4.16Å; L154-R181 HydrophobicContact CB-CG 4.03Å; L154-R181 HydrophobicContact CD1-CG 4.36Å; L154-L184 HydrophobicContact CD2-CD1 4.06Å; L154-E185 HydrophobicContact CD1-CG 4.24Å
155	S	97.8	Very high	98.3	Very high	68 Å²	68	56 Å²	56	48%	0.476	31%	0.313	S	S	.	.	S	Bend	trans	-137.9	-26.8	-175	69.3	0	0	0	0	113.6	D153 A177	D153-S155 PolarHBondContact O-N 3.34Å; D153-S155 VanDerWaalsContact O-N 3.14Å; D153-S155 WeakPolarHBondContact OD1-CA 3.39Å; D153-S155 PolarHBondContact OD1-N 3.13Å; D153-S155 PolarHBondContact OD1-OG 2.97Å; D153-S155 PolarHBondContact OD2-OG 3.2Å; S155-A177 WeakPolarHBondContact O-CB 3.46Å
156	S	98.1	Very high	98.3	Very high	39 Å²	39	51.6 Å²	51.6	27%	0.273	30%	0.297	S	S	.	.			trans	-118	165	-178.5	69.7	0	0	0	0	112.3	N151 D153	N151-S156 WeakPolarHBondContact CB-O 3.42Å; N151-S156 WeakPolarHBondContact CB-OG 3.43Å; N151-S156 PolarHBondContact N-O 3.19Å; N151-S156 PolarHBondContact ND2-OG 2.87Å; D153-S156 VanDerWaalsContact CG-OG 3.26Å; D153-S156 PolarHBondContact OD1-N 3.1Å; D153-S156 PolarHBondContact OD1-OG 3.29Å; D153-S156 WeakPolarHBondContact OD2-CB 3.24Å; D153-S156 PolarHBondContact OD2-OG 2.8Å
157	W	98.8	Very high	98.3	Very high	12 Å²	12	46.4 Å²	46.4	5%	0.045	27%	0.27	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-122.2	146.2	-174.5	-61.2	95.2	0	0	0	111.5	I148 A149 L150 Q168 W171 V176 A177 L180	I148-W157 HydrophobicContact CD1-CB 4.28Å; I148-W157 HydrophobicContact CD1-CD2 4.34Å; I148-W157 HydrophobicContact CD1-CE3 4.1Å; I148-W157 HydrophobicContact CD1-CG 4.44Å; I148-W157 HydrophobicContact CG1-CB 4.39Å; I148-W157 HydrophobicContact CG1-CE3 4Å; A149-W157 WeakPolarHBondContact O-CA 3.27Å; L150-W157 HydrophobicContact CB-CE3 4.1Å; L150-W157 HydrophobicContact CB-CH2 4.17Å; L150-W157 HydrophobicContact CB-CZ3 3.7Å; L150-W157 HydrophobicContact CD1-CD2 4.28Å; L150-W157 HydrophobicContact CD1-CE3 4.31Å; L150-W157 HydrophobicContact CD1-CH2 4.01Å; L150-W157 HydrophobicContact CD1-CZ2 3.96Å; L150-W157 HydrophobicContact CD1-CZ3 4.17Å; W157-Q168 HydrophobicContact CB-CG 4.04Å; W157-W171 HydrophobicContact CD2-CE3 4.07Å; W157-W171 AromaticContact CE2-CE3 3.85Å; W157-W171 AromaticContact CE3-CE3 3.88Å; W157-W171 HydrophobicContact CE3-CE3 3.88Å; W157-W171 HydrophobicContact CE3-CZ3 4.02Å; W157-W171 HydrophobicContact CH2-CD2 4.38Å; W157-W171 AromaticContact CH2-CE3 3.2Å; W157-W171 HydrophobicContact CH2-CE3 3.2Å; W157-W171 HydrophobicContact CH2-CH2 4.47Å; W157-W171 AromaticContact CH2-CZ3 3.26Å; W157-W171 HydrophobicContact CH2-CZ3 3.26Å; W157-W171 HydrophobicContact CZ2-CD2 4.34Å; W157-W171 AromaticContact CZ2-CE3 3.43Å; W157-W171 HydrophobicContact CZ2-CE3 3.43Å; W157-W171 VanDerWaalsContact CZ2-CE3 3.43Å; W157-W171 HydrophobicContact CZ2-CZ3 4.01Å; W157-W171 AromaticContact CZ3-CE3 3.47Å; W157-W171 HydrophobicContact CZ3-CE3 3.47Å; W157-W171 VanDerWaalsContact CZ3-CE3 3.47Å; W157-W171 AromaticContact CZ3-CZ3 3.29Å; W157-W171 HydrophobicContact CZ3-CZ3 3.29Å; W157-V176 HydrophobicContact CH2-CG1 4.46Å; W157-V176 HydrophobicContact CZ2-CB 4.3Å; W157-V176 HydrophobicContact CZ2-CG1 4.09Å; W157-A177 HydrophobicContact CZ2-CB 4.18Å; W157-L180 HydrophobicContact CH2-CD1 3.39Å; W157-L180 HydrophobicContact CZ2-CD1 3.91Å; W157-L180 HydrophobicContact CZ3-CD1 4.48Å
158	T	98.7	Very high	98.3	Very high	81 Å²	81	47.3 Å²	47.3	50%	0.497	28%	0.275	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-109.9	116.1	165.1	-65.7	0	0	0	0	108.9	I148 A149 N151	I148-T158 WeakPolarHBondContact CA-O 3.44Å; A149-T158 PolarHBondContact N-O 2.7Å; A149-T158 PolarHBondContact O-N 2.93Å; N151-T158 PolarHBondContact ND2-OG1 3.16Å; N151-T158 WeakPolarHBondContact OD1-CB 3.12Å; N151-T158 PolarHBondContact OD1-OG1 3.03Å
159	A	98.6	Very high	98.3	Very high	24 Å²	24	52.8 Å²	52.8	20%	0.198	30%	0.303	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-96.7	133.6	175	0	0	0	0	0	110.6	A164 Q165 Q168	A159-A164 HydrophobicContact CB-CB 3.75Å; A159-Q165 HydrophobicContact CB-CG 3.98Å; A159-Q168 HydrophobicContact CB-CB 4.44Å
160	A	98.4	Very high	98.3	Very high	61 Å²	61	57.1 Å²	57.1	50%	0.504	32%	0.317	S	S	.	.	S	Bend	trans	-77.6	-30.2	-175.9	0	0	0	0	0	113.7	D146 Y147	D146-A160 HydrophobicContact CB-CB 4.48Å; D146-A160 WeakPolarHBondContact O-CB 3.39Å; Y147-A160 WeakPolarHBondContact O-CB 3.17Å; Y147-A160 PolarHBondContact O-N 2.88Å
161	D	98.2	Very high	98.3	Very high	54 Å²	54	59.3 Å²	59.3	29%	0.289	32%	0.324	S	S	.	.	S	Bend	trans	-151.3	-177.4	-178.1	65.9	27.3	0	0	0	112.7	Y109 A163 A164 Q165	Y109-D161 WeakPolarHBondContact CE1-OD2 3.3Å; Y109-D161 VanDerWaalsContact OH-CG 3.25Å; Y109-D161 PolarHBondContact OH-OD1 3.14Å; Y109-D161 PolarHBondContact OH-OD2 3.27Å; D161-A163 VanDerWaalsContact C-N 3.29Å; D161-A163 PolarHBondContact O-N 3.03Å; D161-A163 WeakPolarHBondContact OD1-CA 3.24Å; D161-A163 WeakPolarHBondContact OD1-CB 3.34Å; D161-A163 PolarHBondContact OD1-N 3.34Å; D161-A164 PolarHBondContact O-N 2.9Å; D161-A164 PolarHBondContact OD1-N 3.1Å; D161-Q165 WeakPolarHBondContact O-CG 3.38Å; D161-Q165 PolarHBondContact O-N 3.3Å
162	T	98.1	Very high	98.3	Very high	107 Å²	107	61.3 Å²	61.3	66%	0.656	33%	0.332	S	S	*	.	H	α-helix	trans	-65.8	-28.3	-179.1	51.6	0	0	0	0	113.4
163	A	98	Very high	98.3	Very high	4 Å²	4	59.1 Å²	59.1	3%	0.033	34%	0.337	C	S	.	.	H	α-helix	trans	-72.9	-37.1	174.6	0	0	0	0	0	111.1	Y109 Y147 D161 I166	Y109-A163 HydrophobicContact CD1-CB 4.11Å; Y109-A163 HydrophobicContact CD2-CB 4.32Å; Y109-A163 HydrophobicContact CE1-CB 3.57Å; Y109-A163 HydrophobicContact CE2-CB 3.8Å; Y109-A163 HydrophobicContact CG-CB 4.46Å; Y109-A163 VanDerWaalsContact CZ-CB 3.41Å; Y147-A163 HydrophobicContact CE2-CB 4.42Å; Y147-A163 PolarHBondContact OH-O 2.8Å; D161-A163 VanDerWaalsContact C-N 3.29Å; D161-A163 PolarHBondContact O-N 3.03Å; D161-A163 WeakPolarHBondContact OD1-CA 3.24Å; D161-A163 WeakPolarHBondContact OD1-CB 3.34Å; D161-A163 PolarHBondContact OD1-N 3.34Å; A163-I166 WeakPolarHBondContact O-CB 3.4Å; A163-I166 PolarHBondContact O-N 3.4Å
164	A	98.4	Very high	98.4	Very high	0 Å²	0	58.1 Å²	58.1	0%	0	34%	0.34	C	S	.	.	H	α-helix	trans	-67.5	-34.5	173.1	0	0	0	0	0	112.9	Y147 A159 D161 I166 T167 Q168	Y147-A164 HydrophobicContact CD2-CB 3.83Å; Y147-A164 HydrophobicContact CE1-CB 4.47Å; Y147-A164 HydrophobicContact CE2-CB 3.68Å; Y147-A164 HydrophobicContact CG-CB 4.28Å; Y147-A164 WeakPolarHBondContact O-CB 3.42Å; A159-A164 HydrophobicContact CB-CB 3.75Å; D161-A164 PolarHBondContact O-N 2.9Å; D161-A164 PolarHBondContact OD1-N 3.1Å; A164-I166 PolarHBondContact O-N 3.45Å; A164-T167 WeakPolarHBondContact O-CA 3.43Å; A164-T167 WeakPolarHBondContact O-CB 3.38Å; A164-T167 PolarHBondContact O-N 3.26Å; A164-Q168 PolarHBondContact O-N 3.05Å
165	Q	98.7	Very high	98.4	Very high	98 Å²	98	65 Å²	65	46%	0.458	37%	0.365	S	S	.	.	H	α-helix	trans	-59	-33.3	174.5	-73.6	170	3.4	0	0	112.5	A159 D161 T167 Q168 L169	A159-Q165 HydrophobicContact CB-CG 3.98Å; D161-Q165 WeakPolarHBondContact O-CG 3.38Å; D161-Q165 PolarHBondContact O-N 3.3Å; Q165-T167 VanDerWaalsContact C-N 3.32Å; Q165-T167 PolarHBondContact O-N 3.19Å; Q165-Q168 WeakPolarHBondContact O-CB 3.45Å; Q165-Q168 PolarHBondContact O-N 2.91Å; Q165-L169 WeakPolarHBondContact O-CG 3.41Å; Q165-L169 PolarHBondContact O-N 3.39Å
166	I	98.4	Very high	98.4	Very high	68 Å²	68	63 Å²	63	35%	0.349	35%	0.351	S	S	.	.	H	α-helix	trans	-62.8	-42.2	174.1	-58.8	169.4	0	0	0	110.5	Y108 A163 A164 K170	Y108-I166 HydrophobicContact CD1-CD1 4.24Å; Y108-I166 HydrophobicContact CE1-CD1 4.44Å; Y108-I166 HydrophobicContact CE1-CG2 3.99Å; Y108-I166 HydrophobicContact CE2-CB 4.22Å; Y108-I166 HydrophobicContact CE2-CG2 4.06Å; Y108-I166 HydrophobicContact CG-CD1 4.36Å; Y108-I166 WeakPolarHBondContact OH-CG2 3.17Å; A163-I166 WeakPolarHBondContact O-CB 3.4Å; A163-I166 PolarHBondContact O-N 3.4Å; A164-I166 PolarHBondContact O-N 3.45Å; I166-K170 WeakPolarHBondContact O-CG 3.14Å; I166-K170 PolarHBondContact O-N 3.21Å
167	T	98.3	Very high	98.4	Very high	16 Å²	16	61.6 Å²	61.6	10%	0.098	34%	0.341	C	S	.	.	H	α-helix	trans	-68.3	-42.5	176.5	-66.5	0	0	0	0	111.2	Y147 I148 A164 Q165 L169 K170 W171	Y147-T167 HydrophobicContact CE1-CG2 4.23Å; Y147-T167 PolarHBondContact OH-OG1 2.82Å; I148-T167 HydrophobicContact CD1-CG2 4.22Å; A164-T167 WeakPolarHBondContact O-CA 3.43Å; A164-T167 WeakPolarHBondContact O-CB 3.38Å; A164-T167 PolarHBondContact O-N 3.26Å; Q165-T167 VanDerWaalsContact C-N 3.32Å; Q165-T167 PolarHBondContact O-N 3.19Å; T167-L169 PolarHBondContact O-N 2.82Å; T167-K170 PolarHBondContact O-N 3.43Å; T167-W171 HydrophobicContact CG2-CD2 3.86Å; T167-W171 HydrophobicContact CG2-CE3 4.37Å; T167-W171 HydrophobicContact CG2-CG 4.15Å; T167-W171 HydrophobicContact CG2-CZ2 4.07Å; T167-W171 WeakPolarHBondContact O-CB 3.31Å; T167-W171 PolarHBondContact O-N 3.15Å
168	Q	98.7	Very high	98.4	Very high	40 Å²	40	66.1 Å²	66.1	19%	0.187	36%	0.363	C	S	.	.	H	α-helix	trans	-53.2	-53.5	174.8	175.8	175	7.7	0	0	111.5	I148 W157 A159 A164 Q165 K170 W171 E172	I148-Q168 HydrophobicContact CD1-CB 3.9Å; W157-Q168 HydrophobicContact CB-CG 4.04Å; A159-Q168 HydrophobicContact CB-CB 4.44Å; A164-Q168 PolarHBondContact O-N 3.05Å; Q165-Q168 WeakPolarHBondContact O-CB 3.45Å; Q165-Q168 PolarHBondContact O-N 2.91Å; Q168-K170 VanDerWaalsContact C-N 3.28Å; Q168-K170 PolarHBondContact O-N 2.87Å; Q168-W171 PolarHBondContact O-N 3.5Å; Q168-W171 VanDerWaalsContact O-N 3.07Å; Q168-E172 HydrophobicContact CG-CG 4.29Å; Q168-E172 VanDerWaalsContact CG-OE1 3.23Å; Q168-E172 WeakPolarHBondContact CG-OE1 3.12Å; Q168-E172 PolarHBondContact NE2-OE1 2.8Å; Q168-E172 WeakPolarHBondContact O-CB 3.36Å; Q168-E172 WeakPolarHBondContact O-CG 3.46Å; Q168-E172 PolarHBondContact O-N 3.18Å
169	L	98.6	Very high	98.4	Very high	119 Å²	119	68.9 Å²	68.9	62%	0.623	37%	0.37	S	S	*	.	H	α-helix	trans	-58.1	-40.1	179.8	-71.5	169.9	0	0	0	112.4	Q165 T167 A173	Q165-L169 WeakPolarHBondContact O-CG 3.41Å; Q165-L169 PolarHBondContact O-N 3.39Å; T167-L169 PolarHBondContact O-N 2.82Å; L169-A173 WeakPolarHBondContact O-CB 3.33Å; L169-A173 PolarHBondContact O-N 2.89Å
170	K	98.3	Very high	98.3	Very high	120 Å²	120	68.8 Å²	68.8	52%	0.522	37%	0.366	S	S	.	.	H	α-helix	trans	-66.2	-42.5	176.2	-72.8	177.1	176.7	-174.5	0	111.8	Y108 I166 T167 Q168 A174	Y108-K170 PolarHBondContact OH-NZ 2.93Å; I166-K170 WeakPolarHBondContact O-CG 3.14Å; I166-K170 PolarHBondContact O-N 3.21Å; T167-K170 PolarHBondContact O-N 3.43Å; Q168-K170 VanDerWaalsContact C-N 3.28Å; Q168-K170 PolarHBondContact O-N 2.87Å; K170-A174 VanDerWaalsContact O-CB 3.3Å; K170-A174 WeakPolarHBondContact O-CB 3.35Å; K170-A174 PolarHBondContact O-N 3.35Å
171	W	98.4	Very high	98.3	Very high	61 Å²	61	71 Å²	71	23%	0.231	36%	0.361	C	S	.	.	H	α-helix	trans	-71.8	-35.9	-178.2	-77.7	12.8	0	0	0	112.5	L140 I148 W157 T167 Q168 A174 R175 V176	L140-W171 HydrophobicContact CD1-CH2 3.85Å; L140-W171 HydrophobicContact CD1-CZ3 4.38Å; L140-W171 HydrophobicContact CD2-CH2 4.11Å; I148-W171 HydrophobicContact CD1-CE3 4.18Å; I148-W171 HydrophobicContact CD1-CZ3 4.49Å; I148-W171 HydrophobicContact CG2-CH2 4.25Å; I148-W171 HydrophobicContact CG2-CZ3 3.91Å; W157-W171 HydrophobicContact CD2-CE3 4.07Å; W157-W171 AromaticContact CE2-CE3 3.85Å; W157-W171 AromaticContact CE3-CE3 3.88Å; W157-W171 HydrophobicContact CE3-CE3 3.88Å; W157-W171 HydrophobicContact CE3-CZ3 4.02Å; W157-W171 HydrophobicContact CH2-CD2 4.38Å; W157-W171 AromaticContact CH2-CE3 3.2Å; W157-W171 HydrophobicContact CH2-CE3 3.2Å; W157-W171 HydrophobicContact CH2-CH2 4.47Å; W157-W171 AromaticContact CH2-CZ3 3.26Å; W157-W171 HydrophobicContact CH2-CZ3 3.26Å; W157-W171 HydrophobicContact CZ2-CD2 4.34Å; W157-W171 AromaticContact CZ2-CE3 3.43Å; W157-W171 HydrophobicContact CZ2-CE3 3.43Å; W157-W171 VanDerWaalsContact CZ2-CE3 3.43Å; W157-W171 HydrophobicContact CZ2-CZ3 4.01Å; W157-W171 AromaticContact CZ3-CE3 3.47Å; W157-W171 HydrophobicContact CZ3-CE3 3.47Å; W157-W171 VanDerWaalsContact CZ3-CE3 3.47Å; W157-W171 AromaticContact CZ3-CZ3 3.29Å; W157-W171 HydrophobicContact CZ3-CZ3 3.29Å; T167-W171 HydrophobicContact CG2-CD2 3.86Å; T167-W171 HydrophobicContact CG2-CE3 4.37Å; T167-W171 HydrophobicContact CG2-CG 4.15Å; T167-W171 HydrophobicContact CG2-CZ2 4.07Å; T167-W171 WeakPolarHBondContact O-CB 3.31Å; T167-W171 PolarHBondContact O-N 3.15Å; Q168-W171 PolarHBondContact O-N 3.5Å; Q168-W171 VanDerWaalsContact O-N 3.07Å; W171-A174 CarbonylContact O-C 3.48Å; W171-A174 PolarHBondContact O-N 2.86Å; W171-R175 PolarHBondContact O-N 2.9Å; W171-V176 HydrophobicContact CB-CB 3.97Å; W171-V176 HydrophobicContact CB-CG2 3.93Å; W171-V176 HydrophobicContact CD2-CB 4.44Å; W171-V176 HydrophobicContact CD2-CG1 4.19Å; W171-V176 HydrophobicContact CD2-CG2 4.49Å; W171-V176 HydrophobicContact CE3-CG1 4.39Å; W171-V176 HydrophobicContact CG-CB 4.1Å; W171-V176 HydrophobicContact CG-CG1 4.35Å; W171-V176 HydrophobicContact CG-CG2 3.86Å; W171-V176 PolarHBondContact O-N 2.87Å
172	E	98.6	Very high	98.3	Very high	88 Å²	88	71.5 Å²	71.5	41%	0.411	37%	0.373	S	S	.	.	H	α-helix	trans	-65.1	-48.4	171.9	-72.7	171.5	175.9	0	0	111	Q168 A174 R175	Q168-E172 HydrophobicContact CG-CG 4.29Å; Q168-E172 VanDerWaalsContact CG-OE1 3.23Å; Q168-E172 WeakPolarHBondContact CG-OE1 3.12Å; Q168-E172 PolarHBondContact NE2-OE1 2.8Å; Q168-E172 WeakPolarHBondContact O-CB 3.36Å; Q168-E172 WeakPolarHBondContact O-CG 3.46Å; Q168-E172 PolarHBondContact O-N 3.18Å; E172-A174 VanDerWaalsContact C-N 3.25Å; E172-A174 PolarHBondContact O-N 2.89Å; E172-R175 PolarHBondContact O-N 3.22Å
173	A	98.4	Very high	98.4	Very high	89 Å²	89	69 Å²	69	74%	0.736	35%	0.352	S	S	*	.	H	α-helix	trans	-60.2	-35.6	176.9	0	0	0	0	0	112.7	L169	L169-A173 WeakPolarHBondContact O-CB 3.33Å; L169-A173 PolarHBondContact O-N 2.89Å
174	A	98.3	Very high	98.4	Very high	61 Å²	61	68.8 Å²	68.8	50%	0.504	35%	0.351	S	S	.	.	T	Hydrogen-bonded Turn	trans	-88.4	2.2	177.3	0	0	0	0	0	114.1	K170 W171 E172 V176	K170-A174 VanDerWaalsContact O-CB 3.3Å; K170-A174 WeakPolarHBondContact O-CB 3.35Å; K170-A174 PolarHBondContact O-N 3.35Å; W171-A174 CarbonylContact O-C 3.48Å; W171-A174 PolarHBondContact O-N 2.86Å; E172-A174 VanDerWaalsContact C-N 3.25Å; E172-A174 PolarHBondContact O-N 2.89Å; A174-V176 VanDerWaalsContact C-N 3.25Å; A174-V176 HydrophobicContact CB-CG2 4.05Å; A174-V176 PolarHBondContact O-N 2.86Å
175	R	98.1	Very high	98.4	Very high	154 Å²	154	73.1 Å²	73.1	58%	0.581	37%	0.371	S	S	*	.	T	Hydrogen-bonded Turn	trans	52.6	39.2	-179.1	-61.8	174.4	171.9	-129.5	6.8	113.9	W171 E172 A177 E178	W171-R175 PolarHBondContact O-N 2.9Å; E172-R175 PolarHBondContact O-N 3.22Å; R175-A177 PolarHBondContact O-N 2.94Å; R175-E178 HydrophobicContact CB-CG 4.24Å; R175-E178 WeakPolarHBondContact CD-OE1 3.23Å; R175-E178 IonicContact CZ-OE1 2.85Å; R175-E178 IonicContact NE-OE1 3.63Å; R175-E178 IonicContact NH1-OE1 3.79Å; R175-E178 PolarHBondContact NH1-OE1 3.32Å; R175-E178 IonicContact NH1-OE2 2.95Å; R175-E178 PolarHBondContact O-N 3.3Å; R175-E178 VanDerWaalsContact O-N 3.13Å
176	V	98.4	Very high	98.3	Very high	28 Å²	28	69.5 Å²	69.5	17%	0.17	36%	0.36	C	S	.	.	H	α-helix	trans	-60.7	-33	-177.8	176.1	0	0	0	0	111.9	W157 W171 A174 E178 Q179 L180	W157-V176 HydrophobicContact CH2-CG1 4.46Å; W157-V176 HydrophobicContact CZ2-CB 4.3Å; W157-V176 HydrophobicContact CZ2-CG1 4.09Å; W171-V176 HydrophobicContact CB-CB 3.97Å; W171-V176 HydrophobicContact CB-CG2 3.93Å; W171-V176 HydrophobicContact CD2-CB 4.44Å; W171-V176 HydrophobicContact CD2-CG1 4.19Å; W171-V176 HydrophobicContact CD2-CG2 4.49Å; W171-V176 HydrophobicContact CE3-CG1 4.39Å; W171-V176 HydrophobicContact CG-CB 4.1Å; W171-V176 HydrophobicContact CG-CG1 4.35Å; W171-V176 HydrophobicContact CG-CG2 3.86Å; W171-V176 PolarHBondContact O-N 2.87Å; A174-V176 VanDerWaalsContact C-N 3.25Å; A174-V176 HydrophobicContact CB-CG2 4.05Å; A174-V176 PolarHBondContact O-N 2.86Å; V176-E178 VanDerWaalsContact C-N 3.31Å; V176-E178 PolarHBondContact O-N 3.27Å; V176-Q179 PolarHBondContact O-N 2.93Å; V176-L180 HydrophobicContact CG1-CD1 3.93Å; V176-L180 HydrophobicContact CG1-CG 4.3Å; V176-L180 PolarHBondContact O-N 3.47Å
177	A	98.5	Very high	98.3	Very high	8 Å²	8	69.8 Å²	69.8	7%	0.066	36%	0.36	C	S	.	.	H	α-helix	trans	-61	-38.1	177.7	0	0	0	0	0	112.4	L150 S155 W157 R175 Q179 L180 R181	L150-A177 HydrophobicContact CD1-CB 4.03Å; S155-A177 WeakPolarHBondContact O-CB 3.46Å; W157-A177 HydrophobicContact CZ2-CB 4.18Å; R175-A177 PolarHBondContact O-N 2.94Å; A177-Q179 VanDerWaalsContact C-N 3.34Å; A177-Q179 PolarHBondContact O-N 2.83Å; A177-L180 PolarHBondContact O-N 3.38Å; A177-R181 VanDerWaalsContact O-CB 3.24Å; A177-R181 WeakPolarHBondContact O-CB 3.49Å; A177-R181 PolarHBondContact O-N 3.04Å
178	E	98.3	Very high	98.3	Very high	108 Å²	108	69 Å²	69	51%	0.505	36%	0.355	S	S	.	.	H	α-helix	trans	-62.7	-41.2	178.3	-62.8	177.8	-163.9	0	0	111.4	R175 V176 A182	R175-E178 HydrophobicContact CB-CG 4.24Å; R175-E178 WeakPolarHBondContact CD-OE1 3.23Å; R175-E178 IonicContact CZ-OE1 2.85Å; R175-E178 IonicContact NE-OE1 3.63Å; R175-E178 IonicContact NH1-OE1 3.79Å; R175-E178 PolarHBondContact NH1-OE1 3.32Å; R175-E178 IonicContact NH1-OE2 2.95Å; R175-E178 PolarHBondContact O-N 3.3Å; R175-E178 VanDerWaalsContact O-N 3.13Å; V176-E178 VanDerWaalsContact C-N 3.31Å; V176-E178 PolarHBondContact O-N 3.27Å; E178-A182 WeakPolarHBondContact O-CB 3.29Å; E178-A182 PolarHBondContact O-N 2.95Å
179	Q	97.8	Very high	98.3	Very high	139 Å²	139	67.5 Å²	67.5	65%	0.65	35%	0.348	S	S	*	.	H	α-helix	trans	-67.2	-43.8	177.5	-62.5	179.3	0.9	0	0	111.9	V176 A177 A182 Y183	V176-Q179 PolarHBondContact O-N 2.93Å; A177-Q179 VanDerWaalsContact C-N 3.34Å; A177-Q179 PolarHBondContact O-N 2.83Å; Q179-A182 PolarHBondContact O-N 3.33Å; Q179-Y183 PolarHBondContact O-N 2.96Å; Q179-Y183 VanDerWaalsContact O-N 3.09Å
180	L	98.3	Very high	98.3	Very high	21 Å²	21	68 Å²	68	11%	0.11	35%	0.347	C	S	.	.	H	α-helix	trans	-65.8	-42	177.8	-71.7	171.1	0	0	0	111.4	N138 L150 W157 V176 A177 Y183 L184	N138-L180 HydrophobicContact CB-CD1 4.29Å; N138-L180 WeakPolarHBondContact ND2-CD1 3.37Å; L150-L180 HydrophobicContact CD2-CB 4.25Å; L150-L180 HydrophobicContact CD2-CD1 4.45Å; W157-L180 HydrophobicContact CH2-CD1 3.39Å; W157-L180 HydrophobicContact CZ2-CD1 3.91Å; W157-L180 HydrophobicContact CZ3-CD1 4.48Å; V176-L180 HydrophobicContact CG1-CD1 3.93Å; V176-L180 HydrophobicContact CG1-CG 4.3Å; V176-L180 PolarHBondContact O-N 3.47Å; A177-L180 PolarHBondContact O-N 3.38Å; L180-Y183 PolarHBondContact O-N 3.01Å; L180-L184 VanDerWaalsContact O-CB 3.32Å; L180-L184 WeakPolarHBondContact O-CB 3.44Å; L180-L184 WeakPolarHBondContact O-CG 3.26Å; L180-L184 PolarHBondContact O-N 2.87Å
181	R	98.4	Very high	98.3	Very high	107 Å²	107	64.7 Å²	64.7	40%	0.404	33%	0.332	S	S	.	.	H	α-helix	trans	-58.2	-48.3	174.5	-179	-179.9	174.9	160.4	13.1	111.2	L154 A177 Y183 L184 E185	L154-R181 HydrophobicContact CB-CB 4.16Å; L154-R181 HydrophobicContact CB-CG 4.03Å; L154-R181 HydrophobicContact CD1-CG 4.36Å; A177-R181 VanDerWaalsContact O-CB 3.24Å; A177-R181 WeakPolarHBondContact O-CB 3.49Å; A177-R181 PolarHBondContact O-N 3.04Å; R181-Y183 VanDerWaalsContact C-N 3.3Å; R181-Y183 PolarHBondContact O-N 3.44Å; R181-L184 PolarHBondContact O-N 2.99Å; R181-E185 HydrophobicContact CG-CG 4.14Å; R181-E185 WeakPolarHBondContact CG-OE2 3.46Å; R181-E185 IonicContact CZ-OE1 2.98Å; R181-E185 IonicContact CZ-OE2 3.69Å; R181-E185 VanDerWaalsContact NE-CD 3.27Å; R181-E185 IonicContact NE-OE1 3.63Å; R181-E185 PolarHBondContact NE-OE1 3.3Å; R181-E185 IonicContact NE-OE2 3.39Å; R181-E185 PolarHBondContact NE-OE2 2.88Å; R181-E185 IonicContact NH2-OE1 2.97Å; R181-E185 PolarHBondContact NH2-OE1 3.14Å; R181-E185 IonicContact NH2-OE2 2.96Å; R181-E185 WeakPolarHBondContact O-CB 3.32Å; R181-E185 PolarHBondContact O-N 3.43Å
182	A	98.5	Very high	98.3	Very high	66 Å²	66	61.8 Å²	61.8	55%	0.545	32%	0.321	S	S	.	.	H	α-helix	trans	-58.2	-41.6	177.9	0	0	0	0	0	112.4	E178 Q179 G186	E178-A182 WeakPolarHBondContact O-CB 3.29Å; E178-A182 PolarHBondContact O-N 2.95Å; Q179-A182 PolarHBondContact O-N 3.33Å; A182-G186 PolarHBondContact O-N 2.91Å; A182-G186 VanDerWaalsContact O-N 3.07Å
183	Y	98.3	Very high	98.2	Very high	53 Å²	53	63.3 Å²	63.3	21%	0.208	32%	0.323	C	S	.	.	H	α-helix	trans	-66	-46.6	173.9	169.5	-93.8	0	0	0	112.5	Y123 Q179 L180 R181 G186 E187 C188	Y123-Y183 AromaticContact CD2-CE1 3.85Å; Y123-Y183 HydrophobicContact CD2-CE1 3.85Å; Y123-Y183 AromaticContact CE2-CE1 3.74Å; Y123-Y183 HydrophobicContact CE2-CE1 3.74Å; Y123-Y183 AromaticContact CE2-CZ 3.91Å; Q179-Y183 PolarHBondContact O-N 2.96Å; Q179-Y183 VanDerWaalsContact O-N 3.09Å; L180-Y183 PolarHBondContact O-N 3.01Å; R181-Y183 VanDerWaalsContact C-N 3.3Å; R181-Y183 PolarHBondContact O-N 3.44Å; Y183-G186 CarbonylContact O-C 3.56Å; Y183-G186 PolarHBondContact O-N 3.28Å; Y183-E187 HydrophobicContact CD2-CB 3.86Å; Y183-E187 HydrophobicContact CE2-CB 4.07Å; Y183-E187 PolarHBondContact O-N 2.94Å; Y183-C188 HydrophobicContact CD1-CB 4.27Å; Y183-C188 HydrophobicContact CE1-CB 3.79Å; Y183-C188 WeakPolarHBondContact O-CB 3.35Å; Y183-C188 PolarHBondContact O-N 3.46Å
184	L	98.6	Very high	98.2	Very high	1 Å²	1	64.9 Å²	64.9	1%	0.005	31%	0.31	C	S	.	.	H	α-helix	trans	-70.3	-37.3	-174.4	-71.7	171	0	0	0	112.6	G124 L150 L154 L180 R181 V189	G124-L184 WeakPolarHBondContact O-CD2 3.24Å; L150-L184 HydrophobicContact CD2-CD1 3.94Å; L154-L184 HydrophobicContact CD2-CD1 4.06Å; L180-L184 VanDerWaalsContact O-CB 3.32Å; L180-L184 WeakPolarHBondContact O-CB 3.44Å; L180-L184 WeakPolarHBondContact O-CG 3.26Å; L180-L184 PolarHBondContact O-N 2.87Å; R181-L184 PolarHBondContact O-N 2.99Å; L184-V189 WeakPolarHBondContact O-CG2 3.26Å
185	E	98.1	Very high	98.2	Very high	90 Å²	90	62 Å²	62	42%	0.421	29%	0.286	S	S	.	.	H	α-helix	trans	-81.4	-23.5	176.4	-68.8	179.1	159.8	0	0	112.8	L133 L154 R181	L133-E185 HydrophobicContact CD2-CB 4.37Å; L133-E185 HydrophobicContact CD2-CG 3.64Å; L154-E185 HydrophobicContact CD1-CG 4.24Å; R181-E185 HydrophobicContact CG-CG 4.14Å; R181-E185 WeakPolarHBondContact CG-OE2 3.46Å; R181-E185 IonicContact CZ-OE1 2.98Å; R181-E185 IonicContact CZ-OE2 3.69Å; R181-E185 VanDerWaalsContact NE-CD 3.27Å; R181-E185 IonicContact NE-OE1 3.63Å; R181-E185 PolarHBondContact NE-OE1 3.3Å; R181-E185 IonicContact NE-OE2 3.39Å; R181-E185 PolarHBondContact NE-OE2 2.88Å; R181-E185 IonicContact NH2-OE1 2.97Å; R181-E185 PolarHBondContact NH2-OE1 3.14Å; R181-E185 IonicContact NH2-OE2 2.96Å; R181-E185 WeakPolarHBondContact O-CB 3.32Å; R181-E185 PolarHBondContact O-N 3.43Å
186	G	97.9	Very high	98.1	Very high	23 Å²	23	55.4 Å²	55.4	24%	0.237	26%	0.262	C	S	.	.	T	Hydrogen-bonded Turn	trans	-107.7	-97.5	-177.9	0	0	0	0	0	113.2	A182 Y183 C188 V189 E190	A182-G186 PolarHBondContact O-N 2.91Å; A182-G186 VanDerWaalsContact O-N 3.07Å; Y183-G186 CarbonylContact O-C 3.56Å; Y183-G186 PolarHBondContact O-N 3.28Å; G186-C188 VanDerWaalsContact C-N 3.27Å; G186-C188 PolarHBondContact O-N 3.03Å; G186-C188 VanDerWaalsContact O-N 3.14Å; G186-V189 PolarHBondContact O-N 3.5Å; G186-E190 PolarHBondContact O-N 3.15Å
187	E	97.8	Very high	98	Very high	74 Å²	74	59.7 Å²	59.7	35%	0.346	28%	0.28	S	S	.	.	H	α-helix	trans	-51.6	-41.3	-171.1	-74	-172.9	-121.6	0	0	113.1	R86 Y183 V189 E190 W191	R86-E187 IonicContact CZ-OE2 2.74Å; R86-E187 IonicContact NH1-OE2 3.72Å; R86-E187 IonicContact NH2-OE1 3.56Å; R86-E187 IonicContact NH2-OE2 3.61Å; R86-E187 PolarHBondContact NH2-OE2 2.89Å; Y183-E187 HydrophobicContact CD2-CB 3.86Å; Y183-E187 HydrophobicContact CE2-CB 4.07Å; Y183-E187 PolarHBondContact O-N 2.94Å; E187-V189 PolarHBondContact O-N 3.42Å; E187-E190 PolarHBondContact O-N 3.42Å; E187-W191 WeakPolarHBondContact O-CB 3.38Å; E187-W191 PolarHBondContact O-N 3.35Å
188	C	98.5	Very high	97.9	Very high	0 Å²	0	61.6 Å²	61.6	0%	0	29%	0.289	C	S	.	.	H	α-helix	trans	-60	-46.4	179.5	-169.4	0	0	0	0	112	M29 C125 Y183 G186 L192	M29-C188 HydrophobicContact CE-CB 4.17Å; M29-C188 VanDerWaalsContact CE-O 3.24Å; M29-C188 WeakPolarHBondContact CE-O 3.39Å; M29-C188 WeakPolarHBondContact CE-SG 3.31Å; C125-C188 HydrophobicContact CB-CB 3.94Å; C125-C188 WeakPolarHBondContact CB-SG 3.39Å; C125-C188 PolarHBondContact N-SG 2.88Å; C125-C188 WeakPolarHBondContact SG-CB 3.31Å; C125-C188 PolarHBondContact SG-O 2.62Å; C125-C188 CovalentContact SG-SG 2.05Å; C125-C188 PolarHBondContact SG-SG 3.43Å; Y183-C188 HydrophobicContact CD1-CB 4.27Å; Y183-C188 HydrophobicContact CE1-CB 3.79Å; Y183-C188 WeakPolarHBondContact O-CB 3.35Å; Y183-C188 PolarHBondContact O-N 3.46Å; G186-C188 VanDerWaalsContact C-N 3.27Å; G186-C188 PolarHBondContact O-N 3.03Å; G186-C188 VanDerWaalsContact O-N 3.14Å; C188-L192 VanDerWaalsContact O-CB 3.31Å; C188-L192 WeakPolarHBondContact O-CB 3.4Å; C188-L192 PolarHBondContact O-N 2.93Å
189	V	98.3	Very high	97.8	Very high	7 Å²	7	56.6 Å²	56.6	4%	0.042	27%	0.266	C	S	.	.	H	α-helix	trans	-66.3	-44	179.4	175.6	0	0	0	0	110.7	L127 L133 L184 G186 E187 L192 R193	L127-V189 HydrophobicContact CD2-CB 4.23Å; L127-V189 HydrophobicContact CD2-CG1 3.78Å; L127-V189 HydrophobicContact CD2-CG2 3.88Å; L133-V189 HydrophobicContact CB-CG2 4.05Å; L133-V189 HydrophobicContact CD1-CG2 4.06Å; L184-V189 WeakPolarHBondContact O-CG2 3.26Å; G186-V189 PolarHBondContact O-N 3.5Å; E187-V189 PolarHBondContact O-N 3.42Å; V189-L192 PolarHBondContact O-N 3Å; V189-R193 WeakPolarHBondContact O-CG 3.46Å; V189-R193 PolarHBondContact O-N 3.27Å
190	E	98.1	Very high	97.7	Very high	129 Å²	129	55 Å²	55	60%	0.603	26%	0.258	S	S	*	.	H	α-helix	trans	-62.2	-47.2	179.5	-69.4	-179.6	173.3	0	0	111.9	G186 E187 R193 R194	G186-E190 PolarHBondContact O-N 3.15Å; E187-E190 PolarHBondContact O-N 3.42Å; E190-R193 PolarHBondContact O-N 3.14Å; E190-R194 PolarHBondContact O-N 2.92Å
191	W	98.3	Very high	97.4	Very high	51 Å²	51	62.1 Å²	62.1	19%	0.193	29%	0.29	C	S	.	.	H	α-helix	trans	-65.3	-43.7	177.5	-81.4	113.8	0	0	0	112.3	M29 Y83 E187 R193 R194 Y195	M29-W191 HydrophobicContact CE-CB 4.06Å; M29-W191 HydrophobicContact SD-CB 4.42Å; Y83-W191 AromaticContact CD2-CH2 3.54Å; Y83-W191 HydrophobicContact CD2-CH2 3.54Å; Y83-W191 HydrophobicContact CD2-CZ2 4.12Å; Y83-W191 AromaticContact CD2-CZ3 3.93Å; Y83-W191 HydrophobicContact CD2-CZ3 3.93Å; Y83-W191 HydrophobicContact CE2-CE3 4.38Å; Y83-W191 AromaticContact CE2-CH2 3.86Å; Y83-W191 HydrophobicContact CE2-CH2 3.86Å; Y83-W191 HydrophobicContact CE2-CZ2 4.33Å; Y83-W191 AromaticContact CE2-CZ3 3.87Å; Y83-W191 HydrophobicContact CE2-CZ3 3.87Å; E187-W191 WeakPolarHBondContact O-CB 3.38Å; E187-W191 PolarHBondContact O-N 3.35Å; W191-R193 VanDerWaalsContact C-N 3.34Å; W191-R193 PolarHBondContact O-N 2.94Å; W191-R194 WeakPolarHBondContact O-CB 3.18Å; W191-R194 PolarHBondContact O-N 3.14Å; W191-Y195 HydrophobicContact CB-CE2 3.99Å; W191-Y195 HydrophobicContact CE3-CD1 4.37Å; W191-Y195 AromaticContact CE3-CE1 3.46Å; W191-Y195 HydrophobicContact CE3-CE1 3.46Å; W191-Y195 VanDerWaalsContact CE3-CE1 3.46Å; W191-Y195 HydrophobicContact CE3-CE2 4.38Å; W191-Y195 AromaticContact CE3-CZ 3.46Å; W191-Y195 VanDerWaalsContact CE3-CZ 3.46Å; W191-Y195 VanDerWaalsContact CE3-OH 3.26Å; W191-Y195 AromaticContact CZ3-CE1 3.89Å; W191-Y195 HydrophobicContact CZ3-CE1 3.89Å; W191-Y195 VanDerWaalsContact O-CD2 3.29Å; W191-Y195 WeakPolarHBondContact O-CD2 3.04Å; W191-Y195 PolarHBondContact O-N 3.02Å
192	L	98.4	Very high	97.1	Very high	0 Å²	0	59 Å²	59	0%	0	28%	0.283	C	S	.	.	H	α-helix	trans	-60.6	-44	177.5	174.6	51.6	0	0	0	111.3	H27 M29 V52 L127 C188 V189 R194 Y195 L196	H27-L192 HydrophobicContact CB-CD1 4.49Å; M29-L192 HydrophobicContact CB-CB 4.05Å; M29-L192 HydrophobicContact CB-CD1 4.03Å; M29-L192 HydrophobicContact CB-CD2 3.98Å; M29-L192 HydrophobicContact CB-CG 4.24Å; M29-L192 HydrophobicContact CE-CB 4.42Å; V52-L192 HydrophobicContact CG1-CD1 3.61Å; V52-L192 HydrophobicContact CG2-CD1 4.24Å; L127-L192 HydrophobicContact CD1-CB 4.29Å; L127-L192 HydrophobicContact CD1-CD2 3.65Å; L127-L192 HydrophobicContact CD1-CG 3.75Å; L127-L192 HydrophobicContact CD2-CD2 4.5Å; L127-L192 HydrophobicContact CG-CD2 3.58Å; L127-L192 HydrophobicContact CG-CG 4.26Å; C188-L192 VanDerWaalsContact O-CB 3.31Å; C188-L192 WeakPolarHBondContact O-CB 3.4Å; C188-L192 PolarHBondContact O-N 2.93Å; V189-L192 PolarHBondContact O-N 3Å; L192-R194 PolarHBondContact O-N 3.46Å; L192-Y195 PolarHBondContact O-N 3.05Å; L192-L196 HydrophobicContact CD1-CD1 3.86Å; L192-L196 HydrophobicContact CD1-CD2 4.39Å; L192-L196 HydrophobicContact CD1-CG 3.84Å; L192-L196 HydrophobicContact CG-CD1 4.04Å; L192-L196 HydrophobicContact CG-CG 4.47Å; L192-L196 WeakPolarHBondContact O-CB 2.99Å; L192-L196 VanDerWaalsContact O-CG 3.27Å; L192-L196 WeakPolarHBondContact O-CG 3.25Å; L192-L196 PolarHBondContact O-N 3.17Å
193	R	97.3	Very high	96.9	Very high	121 Å²	121	56.1 Å²	56.1	46%	0.457	26%	0.258	S	S	.	.	H	α-helix	trans	-59.7	-44.3	174.2	-72.8	174.5	-177.5	162.5	-0.4	112.3	L127 G131 V189 E190 W191 L196 E197	L127-R193 HydrophobicContact CD1-CG 4.03Å; G131-R193 VanDerWaalsContact O-CZ 3.3Å; G131-R193 PolarHBondContact O-NE 2.85Å; G131-R193 PolarHBondContact O-NH2 3.15Å; V189-R193 WeakPolarHBondContact O-CG 3.46Å; V189-R193 PolarHBondContact O-N 3.27Å; E190-R193 PolarHBondContact O-N 3.14Å; W191-R193 VanDerWaalsContact C-N 3.34Å; W191-R193 PolarHBondContact O-N 2.94Å; R193-L196 PolarHBondContact O-N 3.48Å; R193-E197 PolarHBondContact O-N 2.91Å
194	R	97.6	Very high	96.5	Very high	121 Å²	121	57.9 Å²	57.9	46%	0.457	27%	0.269	S	S	.	.	H	α-helix	trans	-60.4	-45.4	176.3	179.7	-179.9	174.4	111.7	-6	111.4	E79 E190 W191 L192 E197 N198	E79-R194 IonicContact OE1-CZ 2.73Å; E79-R194 IonicContact OE1-NE 3.67Å; E79-R194 PolarHBondContact OE1-NE 2.67Å; E79-R194 IonicContact OE1-NH2 3.6Å; E79-R194 PolarHBondContact OE1-NH2 2.7Å; E79-R194 IonicContact OE2-CZ 3.53Å; E79-R194 IonicContact OE2-NE 3.98Å; E79-R194 PolarHBondContact OE2-NE 2.93Å; E79-R194 IonicContact OE2-NH2 2.85Å; E79-R194 PolarHBondContact OE2-NH2 2.94Å; E190-R194 PolarHBondContact O-N 2.92Å; W191-R194 WeakPolarHBondContact O-CB 3.18Å; W191-R194 PolarHBondContact O-N 3.14Å; L192-R194 PolarHBondContact O-N 3.46Å; R194-E197 PolarHBondContact O-N 3.07Å; R194-N198 VanDerWaalsContact O-CB 3.31Å; R194-N198 WeakPolarHBondContact O-CB 3.12Å; R194-N198 PolarHBondContact O-N 2.75Å; R194-N198 PolarHBondContact O-OD1 3.25Å
195	Y	97.9	Very high	96.3	Very high	1 Å²	1	63.5 Å²	63.5	0%	0.004	29%	0.29	C	S	.	.	H	α-helix	trans	-66.3	-38.8	178.9	-61	-27.9	0	0	0	112.5	M29 V52 F57 W75 I76 Y83 W191 L192 E197 N198 G199 L203	M29-Y195 HydrophobicContact SD-CD2 3.75Å; M29-Y195 HydrophobicContact SD-CE2 3.51Å; M29-Y195 VanDerWaalsContact SD-CE2 3.51Å; V52-Y195 HydrophobicContact CG2-CD2 3.96Å; V52-Y195 HydrophobicContact CG2-CG 4.47Å; F57-Y195 HydrophobicContact CE2-CD2 4.31Å; F57-Y195 AromaticContact CE2-CE2 3.71Å; F57-Y195 HydrophobicContact CE2-CE2 3.71Å; F57-Y195 AromaticContact CE2-CZ 3.98Å; F57-Y195 HydrophobicContact CZ-CD2 4.32Å; F57-Y195 AromaticContact CZ-CE2 3.81Å; F57-Y195 HydrophobicContact CZ-CE2 3.81Å; W75-Y195 HydrophobicContact CH2-CG 4.29Å; W75-Y195 AromaticContact CZ3-CD1 3.85Å; W75-Y195 HydrophobicContact CZ3-CD1 3.85Å; W75-Y195 HydrophobicContact CZ3-CD2 4.44Å; W75-Y195 AromaticContact CZ3-CG 3.75Å; W75-Y195 HydrophobicContact CZ3-CG 3.75Å; I76-Y195 HydrophobicContact CD1-CD1 3.8Å; I76-Y195 HydrophobicContact CD1-CE1 3.32Å; Y83-Y195 WeakPolarHBondContact CE2-OH 3.44Å; Y83-Y195 PolarHBondContact OH-OH 3.42Å; W191-Y195 HydrophobicContact CB-CE2 3.99Å; W191-Y195 HydrophobicContact CE3-CD1 4.37Å; W191-Y195 AromaticContact CE3-CE1 3.46Å; W191-Y195 HydrophobicContact CE3-CE1 3.46Å; W191-Y195 VanDerWaalsContact CE3-CE1 3.46Å; W191-Y195 HydrophobicContact CE3-CE2 4.38Å; W191-Y195 AromaticContact CE3-CZ 3.46Å; W191-Y195 VanDerWaalsContact CE3-CZ 3.46Å; W191-Y195 VanDerWaalsContact CE3-OH 3.26Å; W191-Y195 AromaticContact CZ3-CE1 3.89Å; W191-Y195 HydrophobicContact CZ3-CE1 3.89Å; W191-Y195 VanDerWaalsContact O-CD2 3.29Å; W191-Y195 WeakPolarHBondContact O-CD2 3.04Å; W191-Y195 PolarHBondContact O-N 3.02Å; L192-Y195 PolarHBondContact O-N 3.05Å; Y195-E197 VanDerWaalsContact C-N 3.3Å; Y195-E197 PolarHBondContact O-N 2.92Å; Y195-N198 PolarHBondContact O-N 3.12Å; Y195-G199 WeakPolarHBondContact O-CA 3.3Å; Y195-G199 PolarHBondContact O-N 2.99Å; Y195-L203 WeakPolarHBondContact O-CD1 3.48Å
196	L	96.8	Very high	96.1	Very high	15 Å²	15	60.7 Å²	60.7	8%	0.079	28%	0.282	C	S	.	.	H	α-helix	trans	-63.3	-36	174.7	-72.2	169.9	0	0	0	112.4	H27 V52 L192 R193 K200 L203 Q204	H27-L196 HydrophobicContact CB-CD1 3.71Å; H27-L196 HydrophobicContact CB-CD2 4.02Å; H27-L196 HydrophobicContact CB-CG 4.44Å; H27-L196 WeakPolarHBondContact ND1-CD2 3.42Å; V52-L196 HydrophobicContact CG1-CD2 4.07Å; L192-L196 HydrophobicContact CD1-CD1 3.86Å; L192-L196 HydrophobicContact CD1-CD2 4.39Å; L192-L196 HydrophobicContact CD1-CG 3.84Å; L192-L196 HydrophobicContact CG-CD1 4.04Å; L192-L196 HydrophobicContact CG-CG 4.47Å; L192-L196 WeakPolarHBondContact O-CB 2.99Å; L192-L196 VanDerWaalsContact O-CG 3.27Å; L192-L196 WeakPolarHBondContact O-CG 3.25Å; L192-L196 PolarHBondContact O-N 3.17Å; R193-L196 PolarHBondContact O-N 3.48Å; L196-K200 VanDerWaalsContact O-CA 3.22Å; L196-K200 WeakPolarHBondContact O-CA 3.41Å; L196-K200 WeakPolarHBondContact O-CB 3.47Å; L196-K200 PolarHBondContact O-N 2.89Å; L196-K200 VanDerWaalsContact O-N 3.12Å; L196-L203 HydrophobicContact CD2-CB 4.09Å; L196-L203 HydrophobicContact CD2-CD1 4.33Å; L196-Q204 HydrophobicContact CD2-CG 4.45Å; L196-Q204 PolarHBondContact O-NE2 2.95Å
197	E	96.3	Very high	96.1	Very high	118 Å²	118	61.3 Å²	61.3	55%	0.551	28%	0.28	S	S	*	.	H	α-helix	trans	-72.1	-48.3	174.5	-172.7	58.8	-154.8	0	0	111.2	R193 R194 Y195 G199 K200	R193-E197 PolarHBondContact O-N 2.91Å; R194-E197 PolarHBondContact O-N 3.07Å; Y195-E197 VanDerWaalsContact C-N 3.3Å; Y195-E197 PolarHBondContact O-N 2.92Å; E197-G199 VanDerWaalsContact C-N 3.3Å; E197-G199 PolarHBondContact O-N 3.26Å; E197-K200 WeakPolarHBondContact O-CB 3.16Å; E197-K200 PolarHBondContact O-N 2.84Å
198	N	97	Very high	96.1	Very high	49 Å²	49	61 Å²	61	26%	0.262	28%	0.284	S	S	.	.	H	α-helix	trans	-57.9	-41.8	177.9	-71.2	-4.8	0	0	0	112.5	Q78 E79 R194 Y195	Q78-N198 PolarHBondContact NE2-ND2 2.96Å; Q78-N198 PolarHBondContact NE2-OD1 2.9Å; Q78-N198 VanDerWaalsContact NE2-OD1 3.1Å; E79-N198 PolarHBondContact OE1-ND2 2.93Å; E79-N198 VanDerWaalsContact OE1-ND2 3.16Å; R194-N198 VanDerWaalsContact O-CB 3.31Å; R194-N198 WeakPolarHBondContact O-CB 3.12Å; R194-N198 PolarHBondContact O-N 2.75Å; R194-N198 PolarHBondContact O-OD1 3.25Å; Y195-N198 PolarHBondContact O-N 3.12Å
199	G	96.1	Very high	96.1	Very high	2 Å²	2	61.4 Å²	61.4	2%	0.021	29%	0.287	C	S	.	.	T	Hydrogen-bonded Turn	trans	-99.7	14.4	-176	0	0	0	0	0	114.3	Y195 E197 E201 T202 L203	Y195-G199 WeakPolarHBondContact O-CA 3.3Å; Y195-G199 PolarHBondContact O-N 2.99Å; E197-G199 VanDerWaalsContact C-N 3.3Å; E197-G199 PolarHBondContact O-N 3.26Å; G199-E201 VanDerWaalsContact C-N 3.32Å; G199-E201 PolarHBondContact O-N 2.9Å; G199-E201 VanDerWaalsContact O-N 3.15Å; G199-T202 CarbonylContact O-C 3.55Å; G199-T202 WeakPolarHBondContact O-CA 3.39Å; G199-T202 PolarHBondContact O-N 3.38Å; G199-T202 PolarHBondContact O-OG1 2.85Å; G199-L203 PolarHBondContact O-N 3.19Å
200	K	94.3	Very high	96.1	Very high	107 Å²	107	68.4 Å²	68.4	47%	0.465	32%	0.317	S	S	.	.	H	α-helix	trans	-49.2	-44.3	-168.6	-178.4	173.6	-174.4	171.6	0	115	L196 E197 T202 Q204	L196-K200 VanDerWaalsContact O-CA 3.22Å; L196-K200 WeakPolarHBondContact O-CA 3.41Å; L196-K200 WeakPolarHBondContact O-CB 3.47Å; L196-K200 PolarHBondContact O-N 2.89Å; L196-K200 VanDerWaalsContact O-N 3.12Å; E197-K200 WeakPolarHBondContact O-CB 3.16Å; E197-K200 PolarHBondContact O-N 2.84Å; K200-T202 PolarHBondContact O-N 2.98Å; K200-T202 VanDerWaalsContact O-N 3.16Å; K200-Q204 PolarHBondContact O-N 3.43Å
201	E	92.3	Very high	96.1	Very high	169 Å²	169	64 Å²	64	79%	0.79	30%	0.298	S	S	*	.	H	α-helix	trans	-62.6	-23.1	179.7	-61.9	-172.7	163.7	0	0	113.5	G199 R205	G199-E201 VanDerWaalsContact C-N 3.32Å; G199-E201 PolarHBondContact O-N 2.9Å; G199-E201 VanDerWaalsContact O-N 3.15Å; E201-R205 WeakPolarHBondContact O-CB 3.37Å
202	T	92.6	Very high	96	Very high	43 Å²	43	65.3 Å²	65.3	26%	0.264	31%	0.307	S	S	.	.	H	α-helix	trans	-101.9	-69.3	177.4	56.4	0	0	0	0	110.3	G199 K200 Q204 R205 R263	G199-T202 CarbonylContact O-C 3.55Å; G199-T202 WeakPolarHBondContact O-CA 3.39Å; G199-T202 PolarHBondContact O-N 3.38Å; G199-T202 PolarHBondContact O-OG1 2.85Å; K200-T202 PolarHBondContact O-N 2.98Å; K200-T202 VanDerWaalsContact O-N 3.16Å; T202-Q204 VanDerWaalsContact C-N 3.31Å; T202-Q204 PolarHBondContact O-N 3.48Å; T202-R205 WeakPolarHBondContact O-CB 3.34Å; T202-R205 PolarHBondContact O-N 3.02Å; T202-R263 VanDerWaalsContact CA-NH1 3.31Å; T202-R263 VanDerWaalsContact CB-NH1 3.28Å; T202-R263 PolarHBondContact O-NH1 2.73Å; T202-R263 PolarHBondContact O-NH2 3.12Å
203	L	93.4	Very high	96	Very high	4 Å²	4	66.3 Å²	66.3	2%	0.021	31%	0.313	C	S	.	.	H	α-helix	trans	-60	-34.2	-168.5	-62.2	172.1	0	0	0	114.1	V52 T55 W75 Y195 L196 G199 R205	V52-L203 HydrophobicContact CB-CD1 4.25Å; V52-L203 HydrophobicContact CB-CD2 4.15Å; V52-L203 HydrophobicContact CG1-CD1 3.88Å; V52-L203 HydrophobicContact CG1-CD2 4.08Å; V52-L203 HydrophobicContact CG1-CG 4.49Å; T55-L203 HydrophobicContact CG2-CD2 4.11Å; W75-L203 HydrophobicContact CD2-CD1 4.44Å; W75-L203 HydrophobicContact CH2-CD1 4.29Å; W75-L203 HydrophobicContact CZ2-CD1 3.81Å; W75-L203 HydrophobicContact CZ2-CD2 4.1Å; W75-L203 HydrophobicContact CZ2-CG 4.35Å; Y195-L203 WeakPolarHBondContact O-CD1 3.48Å; L196-L203 HydrophobicContact CD2-CB 4.09Å; L196-L203 HydrophobicContact CD2-CD1 4.33Å; G199-L203 PolarHBondContact O-N 3.19Å; L203-R205 VanDerWaalsContact C-N 3.35Å
204	Q	91.9	Very high	96	Very high	91 Å²	91	62.1 Å²	62.1	43%	0.425	30%	0.301	S	S	.	.	T	Hydrogen-bonded Turn	trans	-95.6	11.6	179.8	-58	-179	37.1	0	0	112.9	L196 K200 T202	L196-Q204 HydrophobicContact CD2-CG 4.45Å; L196-Q204 PolarHBondContact O-NE2 2.95Å; K200-Q204 PolarHBondContact O-N 3.43Å; T202-Q204 VanDerWaalsContact C-N 3.31Å; T202-Q204 PolarHBondContact O-N 3.48Å
205	R	93.1	Very high	96	Very high	118 Å²	118	58.9 Å²	58.9	45%	0.445	29%	0.291	S	S	.	.			trans	-105.8	117	176.5	-169.4	-176.3	80.1	-151.8	2.2	110	E201 T202 L203 D207 Y233	E201-R205 WeakPolarHBondContact O-CB 3.37Å; T202-R205 WeakPolarHBondContact O-CB 3.34Å; T202-R205 PolarHBondContact O-N 3.02Å; L203-R205 VanDerWaalsContact C-N 3.35Å; R205-D207 IonicContact CZ-OD1 2.7Å; R205-D207 IonicContact CZ-OD2 3.48Å; R205-D207 IonicContact NE-OD1 3.73Å; R205-D207 PolarHBondContact NE-OD1 3.44Å; R205-D207 IonicContact NE-OD2 2.8Å; R205-D207 IonicContact NH2-OD1 3.79Å; R205-D207 PolarHBondContact NH2-OD1 3.43Å; R205-D207 IonicContact NH2-OD2 3.29Å; R205-D207 PolarHBondContact NH2-OD2 2.74Å; R205-Y233 WeakPolarHBondContact O-CD1 3.36Å
206	A	95.1	Very high	95.8	Very high	32 Å²	32	62.8 Å²	62.8	26%	0.264	31%	0.309	S	S	.	.	P	Polyproline II helix	trans	-86	126.5	167.1	0	0	0	0	0	110.1	Y233 E288	A206-Y233 CarbonylContact C-O 3.53Å; A206-Y233 VanDerWaalsContact CA-O 3.24Å; A206-Y233 WeakPolarHBondContact CA-O 3.5Å; A206-E288 HydrophobicContact CB-CG 4.39Å
207	D	96.5	Very high	95.7	Very high	36 Å²	36	66.8 Å²	66.8	19%	0.193	34%	0.336	C	S	.	.	B	Isolated β-bridge	trans	-100.4	116.7	175.2	-67.9	-33.4	0	0	0	107.8	R205 F232 Y233 H287	R205-D207 IonicContact CZ-OD1 2.7Å; R205-D207 IonicContact CZ-OD2 3.48Å; R205-D207 IonicContact NE-OD1 3.73Å; R205-D207 PolarHBondContact NE-OD1 3.44Å; R205-D207 IonicContact NE-OD2 2.8Å; R205-D207 IonicContact NH2-OD1 3.79Å; R205-D207 PolarHBondContact NH2-OD1 3.43Å; R205-D207 IonicContact NH2-OD2 3.29Å; R205-D207 PolarHBondContact NH2-OD2 2.74Å; D207-F232 CarbonylContact O-C 3.59Å; D207-F232 WeakPolarHBondContact O-CA 3.33Å; D207-F232 WeakPolarHBondContact O-CB 3.32Å; D207-Y233 PolarHBondContact N-O 2.88Å; D207-Y233 PolarHBondContact O-N 3.31Å; D207-H287 PolarHBondContact O-CE1 3.26Å; D207-H287 VanDerWaalsContact O-CE1 3.29Å
208	P	97.6	Very high	95.6	Very high	66 Å²	66	65.8 Å²	65.8	43%	0.429	33%	0.333	S	S	.	.	P	Polyproline II helix	trans	-70.2	150.3	-176.2	24.9	-32.6	0	0	0	112.8	L290	P208-L290 HydrophobicContact CB-CD2 3.88Å; P208-L290 HydrophobicContact CB-CG 4.42Å
209	P	98.3	Very high	95.4	Very high	9 Å²	9	66 Å²	66	6%	0.058	34%	0.338	C	S	.	.	P	Polyproline II helix	trans	-68.5	135.1	179.3	28.7	-35.4	0	0	0	112.3	T211 A229 F232 I237 V285 H287 L290	P209-T211 HydrophobicContact CB-CG2 3.96Å; P209-T211 HydrophobicContact CG-CG2 4.14Å; P209-T211 PolarHBondContact O-N 3.47Å; P209-A229 HydrophobicContact CB-CB 3.86Å; P209-F232 HydrophobicContact CB-CB 3.84Å; P209-F232 HydrophobicContact CB-CD1 3.89Å; P209-F232 HydrophobicContact CB-CG 4.12Å; P209-I237 HydrophobicContact CB-CD1 4.03Å; P209-I237 HydrophobicContact CG-CD1 4.08Å; P209-V285 HydrophobicContact CG-CG1 3.94Å; P209-H287 HydrophobicContact CG-CB 4.09Å; P209-L290 HydrophobicContact CG-CD1 3.89Å; P209-L290 HydrophobicContact CG-CD2 4.44Å; P209-L290 HydrophobicContact CG-CG 4.22Å
210	K	98.4	Very high	95.1	Very high	154 Å²	154	73.2 Å²	73.2	67%	0.67	38%	0.376	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-79.7	112.6	163.2	-63.3	172.9	-173.2	169.4	0	108	L230	K210-L230 PolarHBondContact N-O 3.41Å; K210-L230 PolarHBondContact O-N 3.34Å
211	T	98.2	Very high	95.1	Very high	36 Å²	36	75 Å²	75	22%	0.221	39%	0.386	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-112.2	143.9	-171.9	52.8	0	0	0	0	112.3	P209 W228 A229 V285 L294 L296	P209-T211 HydrophobicContact CB-CG2 3.96Å; P209-T211 HydrophobicContact CG-CG2 4.14Å; P209-T211 PolarHBondContact O-N 3.47Å; T211-W228 WeakPolarHBondContact CA-O 3.27Å; T211-A229 HydrophobicContact CG2-CB 4.27Å; T211-V285 HydrophobicContact CG2-CB 4.37Å; T211-V285 HydrophobicContact CG2-CG1 4.09Å; T211-V285 HydrophobicContact CG2-CG2 4Å; T211-L294 HydrophobicContact CG2-CD1 4.36Å; T211-L296 HydrophobicContact CG2-CD1 4.47Å
212	H	97.4	Very high	95.3	Very high	79 Å²	79	71.3 Å²	71.3	37%	0.366	37%	0.369	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-159.6	159.1	172	63.4	-75.8	0	0	0	110.5	W228	H212-W228 WeakPolarHBondContact CE1-CB 3.47Å; H212-W228 AromaticContact CE1-CD1 3.92Å; H212-W228 AromaticContact CE1-CG 3.68Å; H212-W228 PolarHBondContact N-O 3.24Å; H212-W228 AromaticContact NE2-CD1 3.49Å; H212-W228 AromaticContact NE2-CG 3.72Å; H212-W228 PolarHBondContact O-N 3.49Å
213	V	98.3	Very high	95.5	Very high	21 Å²	21	69.3 Å²	69.3	13%	0.127	36%	0.357	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-112.7	128.8	176.4	-179.3	0	0	0	0	109.3	L225 R226 C227 W241 L296 W298	V213-L225 HydrophobicContact CG1-CB 4.4Å; V213-L225 HydrophobicContact CG1-CD2 4.41Å; V213-R226 WeakPolarHBondContact CA-O 3.25Å; V213-C227 HydrophobicContact CG2-CB 4.41Å; V213-W241 HydrophobicContact CG1-CH2 3.86Å; V213-W241 HydrophobicContact CG1-CZ2 4.3Å; V213-W241 HydrophobicContact CG2-CH2 4.29Å; V213-L296 HydrophobicContact CG2-CB 3.8Å; V213-W298 HydrophobicContact CB-CB 4.47Å; V213-W298 HydrophobicContact CG1-CB 3.81Å
214	T	97.1	Very high	95.7	Very high	33 Å²	33	70.2 Å²	70.2	20%	0.202	36%	0.362	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-107	147.4	175.5	54.5	0	0	0	0	110.2	H216 L225 R226 W228	T214-H216 PolarHBondContact OG1-CE1 3.46Å; T214-H216 VanDerWaalsContact OG1-CE1 3.31Å; T214-L225 WeakPolarHBondContact O-CA 3.39Å; T214-R226 PolarHBondContact N-O 3.04Å; T214-R226 PolarHBondContact O-N 3.19Å; T214-R226 WeakPolarHBondContact OG1-CB 3.35Å; T214-R226 PolarHBondContact OG1-O 2.75Å; T214-R226 VanDerWaalsContact OG1-O 3.11Å; T214-W228 PolarHBondContact OG1-NE1 3.14Å
215	H	96.6	Very high	96	Very high	53 Å²	53	65.9 Å²	65.9	25%	0.245	34%	0.342	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-121.8	126.3	-179.1	169.6	-90.4	0	0	0	109.7	A223 T224 L225 E278 W298	H215-A223 WeakPolarHBondContact NE2-CB 3.36Å; H215-T224 WeakPolarHBondContact CA-O 3.38Å; H215-L225 HydrophobicContact CB-CD2 3.97Å; H215-E278 IonicContact NE2-OE1 3.91Å; H215-W298 HydrophobicContact CB-CD2 4.07Å; H215-W298 HydrophobicContact CB-CG 4.12Å; H215-W298 HydrophobicContact CB-CZ2 3.99Å; H215-W298 AromaticContact CG-CE2 3.77Å; H215-W298 AromaticContact CG-CZ2 3.79Å; H215-W298 AromaticContact ND1-CZ2 3.99Å
216	H	95.2	Very high	96.3	Very high	83 Å²	83	62.8 Å²	62.8	38%	0.384	33%	0.331	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-128.6	106.5	-179.1	-58.1	83.9	0	0	0	109	T214 I218 A223 T224	T214-H216 PolarHBondContact OG1-CE1 3.46Å; T214-H216 VanDerWaalsContact OG1-CE1 3.31Å; H216-I218 PolarHBondContact O-N 3.5Å; H216-A223 CarbonylContact O-C 3.48Å; H216-A223 WeakPolarHBondContact O-CA 3.43Å; H216-T224 PolarHBondContact N-O 2.85Å; H216-T224 PolarHBondContact O-N 3.02Å
217	P	94.7	Very high	96.4	Very high	100 Å²	100	61.3 Å²	61.3	65%	0.649	32%	0.318	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-58.3	132.7	173.5	-20.5	30.8	0	0	0	111
218	I	93.1	Very high	96.5	Very high	97 Å²	97	61.8 Å²	61.8	50%	0.497	32%	0.317	S	S	.	.			trans	-100.9	-44.2	172.8	-60.5	162.1	0	0	0	109.5	H216 E222 T224 V272	H216-I218 PolarHBondContact O-N 3.5Å; I218-E222 PolarHBondContact N-O 2.76Å; I218-T224 WeakPolarHBondContact CD1-OG1 3.45Å; I218-V272 HydrophobicContact CD1-CG1 4Å; I218-V272 HydrophobicContact CD1-CG2 4.05Å
219	S	93.5	Very high	96.6	Very high	53 Å²	53	58.7 Å²	58.7	37%	0.371	30%	0.297	S	S	.	.	S	Bend	trans	-147.8	-178	178.6	72.2	0	0	0	0	110.6	H221 E222	S219-H221 PolarHBondContact O-N 3.46Å; S219-H221 PolarHBondContact OG-N 3.41Å; S219-E222 PolarHBondContact N-O 3.28Å; S219-E222 VanDerWaalsContact N-O 3.07Å; S219-E222 VanDerWaalsContact O-O 3.12Å; S219-E222 PolarHBondContact OG-N 3.31Å
220	D	90.6	Very high	96.6	Very high	153 Å²	153	60.8 Å²	60.8	82%	0.818	31%	0.307	S	S	*	.	S	Bend	trans	-66.2	-10.5	172.9	-65.3	-22.3	0	0	0	113.3
221	H	93.9	Very high	96.6	Very high	145 Å²	145	54.6 Å²	54.6	67%	0.671	29%	0.287	S	S	*	.	S	Bend	trans	-115.2	-16.5	-175.5	-55.9	-43.6	0	0	0	113.4	S219 P274 S275	S219-H221 PolarHBondContact O-N 3.46Å; S219-H221 PolarHBondContact OG-N 3.41Å; H221-P274 CarbonylContact O-C 3.55Å; H221-P274 WeakPolarHBondContact O-CA 3.33Å; H221-S275 PolarHBondContact O-N 2.85Å
222	E	95.8	Very high	96.5	Very high	92 Å²	92	52.9 Å²	52.9	43%	0.43	28%	0.277	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-144.9	146.6	-171	-66.5	-178.2	160.9	0	0	112.6	I218 S219 V272 V273 S275	I218-E222 PolarHBondContact N-O 2.76Å; S219-E222 PolarHBondContact N-O 3.28Å; S219-E222 VanDerWaalsContact N-O 3.07Å; S219-E222 VanDerWaalsContact O-O 3.12Å; S219-E222 PolarHBondContact OG-N 3.31Å; E222-V272 HydrophobicContact CB-CG1 4.07Å; E222-V272 HydrophobicContact CG-CG1 4.31Å; E222-V273 VanDerWaalsContact CA-O 3.32Å; E222-V273 WeakPolarHBondContact CA-O 3.22Å; E222-S275 PolarHBondContact N-OG 3.43Å
223	A	96.6	Very high	96.5	Very high	1 Å²	1	49.3 Å²	49.3	1%	0.008	26%	0.26	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-137.3	154.6	172.2	0	0	0	0	0	111.2	H215 H216 V272 V273	H215-A223 WeakPolarHBondContact NE2-CB 3.36Å; H216-A223 CarbonylContact O-C 3.48Å; H216-A223 WeakPolarHBondContact O-CA 3.43Å; A223-V272 WeakPolarHBondContact O-CA 3.45Å; A223-V273 PolarHBondContact N-O 2.71Å; A223-V273 PolarHBondContact O-N 3.41Å
224	T	97.9	Very high	96.4	Very high	22 Å²	22	49.1 Å²	49.1	14%	0.135	26%	0.259	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-92.1	123.1	168.8	-52.2	0	0	0	0	110	H215 H216 I218 A270 V271	H215-T224 WeakPolarHBondContact CA-O 3.38Å; H216-T224 PolarHBondContact N-O 2.85Å; H216-T224 PolarHBondContact O-N 3.02Å; I218-T224 WeakPolarHBondContact CD1-OG1 3.45Å; T224-A270 HydrophobicContact CG2-CB 3.86Å; T224-V271 WeakPolarHBondContact CA-O 3.3Å
225	L	98.3	Very high	96.4	Very high	0 Å²	0	48.1 Å²	48.1	0%	0	25%	0.254	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-93.4	124.6	162.3	-64	-175.4	0	0	0	109	V213 T214 H215 W241 A270 V271 V273 E278 W298	V213-L225 HydrophobicContact CG1-CB 4.4Å; V213-L225 HydrophobicContact CG1-CD2 4.41Å; T214-L225 WeakPolarHBondContact O-CA 3.39Å; H215-L225 HydrophobicContact CB-CD2 3.97Å; L225-W241 HydrophobicContact CB-CH2 3.69Å; L225-W241 HydrophobicContact CB-CZ2 3.79Å; L225-W241 HydrophobicContact CB-CZ3 4.47Å; L225-W241 HydrophobicContact CD1-CH2 4.05Å; L225-W241 HydrophobicContact CD1-CZ3 4.22Å; L225-A270 CarbonylContact O-C 3.57Å; L225-A270 WeakPolarHBondContact O-CA 3.49Å; L225-V271 HydrophobicContact CB-CG1 4.24Å; L225-V271 PolarHBondContact N-O 3.02Å; L225-V271 PolarHBondContact O-N 3.44Å; L225-V273 HydrophobicContact CD1-CG1 4.01Å; L225-V273 HydrophobicContact CD1-CG2 4.08Å; L225-V273 HydrophobicContact CG-CG1 4.15Å; L225-V273 HydrophobicContact CG-CG2 3.86Å; L225-E278 HydrophobicContact CD1-CB 4.09Å; L225-E278 HydrophobicContact CD1-CG 4.49Å; L225-E278 HydrophobicContact CD2-CB 4.49Å; L225-E278 HydrophobicContact CD2-CG 4.32Å; L225-W298 HydrophobicContact CD1-CB 4.4Å; L225-W298 HydrophobicContact CD2-CB 3.8Å; L225-W298 HydrophobicContact CD2-CD2 4.39Å; L225-W298 HydrophobicContact CD2-CG 3.95Å
226	R	98.4	Very high	96.4	Very high	54 Å²	54	51.2 Å²	51.2	20%	0.204	27%	0.269	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-121.1	117.3	176.2	-178.9	-176.8	-61.9	119.2	2.4	110.4	V213 T214 W228 W268 A269 A270	V213-R226 WeakPolarHBondContact CA-O 3.25Å; T214-R226 PolarHBondContact N-O 3.04Å; T214-R226 PolarHBondContact O-N 3.19Å; T214-R226 WeakPolarHBondContact OG1-CB 3.35Å; T214-R226 PolarHBondContact OG1-O 2.75Å; T214-R226 VanDerWaalsContact OG1-O 3.11Å; R226-W228 VanDerWaalsContact CD-CE2 3.41Å; R226-W228 VanDerWaalsContact CD-CZ2 3.41Å; R226-W228 HydrophobicContact CG-CZ2 4.47Å; R226-W268 HydrophobicContact CG-CB 4Å; R226-W268 HydrophobicContact CG-CD2 4.11Å; R226-W268 HydrophobicContact CG-CE3 3.9Å; R226-W268 HydrophobicContact CG-CG 4.21Å; R226-A269 WeakPolarHBondContact CA-O 3.41Å; R226-A270 HydrophobicContact CB-CB 4Å; R226-A270 HydrophobicContact CG-CB 4.13Å
227	C	98.4	Very high	96.5	Very high	0 Å²	0	47.7 Å²	47.7	0%	0	25%	0.253	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-90	123.1	175.1	-173.2	0	0	0	0	109.7	V213 W241 W268 A269 C283	V213-C227 HydrophobicContact CG2-CB 4.41Å; C227-W241 HydrophobicContact CB-CH2 4.49Å; C227-W241 HydrophobicContact CB-CZ2 3.64Å; C227-W268 CarbonylContact O-C 3.55Å; C227-W268 WeakPolarHBondContact O-CA 3.29Å; C227-W268 WeakPolarHBondContact O-CB 3.39Å; C227-A269 PolarHBondContact N-O 3.37Å; C227-A269 PolarHBondContact O-N 3.39Å; C227-C283 HydrophobicContact CB-CB 3.52Å; C227-C283 WeakPolarHBondContact CB-SG 3.21Å; C227-C283 WeakPolarHBondContact SG-CB 3.49Å; C227-C283 CovalentContact SG-SG 2.03Å; C227-C283 PolarHBondContact SG-SG 2.93Å
228	W	98.6	Very high	96.6	Very high	47 Å²	47	45.2 Å²	45.2	18%	0.178	24%	0.236	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-105.3	142.4	179.9	-70.7	90.4	0	0	0	110.7	T211 H212 T214 R226 L230 W268	T211-W228 WeakPolarHBondContact CA-O 3.27Å; H212-W228 WeakPolarHBondContact CE1-CB 3.47Å; H212-W228 AromaticContact CE1-CD1 3.92Å; H212-W228 AromaticContact CE1-CG 3.68Å; H212-W228 PolarHBondContact N-O 3.24Å; H212-W228 AromaticContact NE2-CD1 3.49Å; H212-W228 AromaticContact NE2-CG 3.72Å; H212-W228 PolarHBondContact O-N 3.49Å; T214-W228 PolarHBondContact OG1-NE1 3.14Å; R226-W228 VanDerWaalsContact CD-CE2 3.41Å; R226-W228 VanDerWaalsContact CD-CZ2 3.41Å; R226-W228 HydrophobicContact CG-CZ2 4.47Å; W228-L230 HydrophobicContact CE3-CD2 3.86Å; W228-L230 HydrophobicContact CZ3-CD2 4.38Å; W228-W268 HydrophobicContact CD2-CB 3.95Å; W228-W268 HydrophobicContact CD2-CG 4.47Å; W228-W268 HydrophobicContact CE3-CB 3.87Å; W228-W268 AromaticContact CE3-CD1 3.89Å; W228-W268 HydrophobicContact CE3-CG 4.2Å; W228-W268 HydrophobicContact CG-CB 4.39Å; W228-W268 AromaticContact CH2-CD1 3.6Å; W228-W268 HydrophobicContact CH2-CG 4.26Å; W228-W268 HydrophobicContact CZ3-CB 4.28Å; W228-W268 AromaticContact CZ3-CD1 3.4Å; W228-W268 VanDerWaalsContact CZ3-CD1 3.4Å; W228-W268 HydrophobicContact CZ3-CG 4.11Å
229	A	98.7	Very high	96.9	Very high	0 Å²	0	40.9 Å²	40.9	0%	0	21%	0.214	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-125	123.4	162.3	0	0	0	0	0	107.8	P209 T211 F232 I237 L239 Q266 K267	P209-A229 HydrophobicContact CB-CB 3.86Å; T211-A229 HydrophobicContact CG2-CB 4.27Å; A229-F232 HydrophobicContact CB-CD1 4.07Å; A229-F232 HydrophobicContact CB-CE1 3.82Å; A229-F232 WeakPolarHBondContact O-CE1 3.46Å; A229-I237 HydrophobicContact CB-CD1 3.68Å; A229-L239 HydrophobicContact CB-CD1 4.03Å; A229-L239 HydrophobicContact CB-CD2 4.16Å; A229-Q266 VanDerWaalsContact O-CA 3.29Å; A229-Q266 WeakPolarHBondContact O-CA 3.31Å; A229-K267 PolarHBondContact N-O 3.47Å; A229-K267 PolarHBondContact O-N 3.16Å; A229-K267 VanDerWaalsContact O-O 3.1Å
230	L	98.5	Very high	97.1	Very high	53 Å²	53	40.2 Å²	40.2	28%	0.277	21%	0.208	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-131.1	147.7	-174.9	-58.9	176.9	0	0	0	111.1	K210 W228 F232 Q266	K210-L230 PolarHBondContact N-O 3.41Å; K210-L230 PolarHBondContact O-N 3.34Å; W228-L230 HydrophobicContact CE3-CD2 3.86Å; W228-L230 HydrophobicContact CZ3-CD2 4.38Å; L230-F232 PolarHBondContact O-N 2.89Å; L230-Q266 HydrophobicContact CD2-CB 3.53Å
231	G	97.9	Very high	97.4	Very high	24 Å²	24	33 Å²	33	25%	0.247	17%	0.169	C	C	.	.	E	Extended strand (participates in β ladder)	trans	71.4	28.7	167.4	0	0	0	0	0	114.2	T264 F265	G231-T264 WeakPolarHBondContact CA-OG1 3.32Å; G231-F265 PolarHBondContact N-O 3.28Å
232	F	98.1	Very high	97.6	Very high	0 Å²	0	28.1 Å²	28.1	0%	0	15%	0.146	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-101.6	155.4	-178.9	59.4	-89.2	0	0	0	113	D207 P209 A229 L230 P234 I237 T257 T264 F265 K267 H287	D207-F232 CarbonylContact O-C 3.59Å; D207-F232 WeakPolarHBondContact O-CA 3.33Å; D207-F232 WeakPolarHBondContact O-CB 3.32Å; P209-F232 HydrophobicContact CB-CB 3.84Å; P209-F232 HydrophobicContact CB-CD1 3.89Å; P209-F232 HydrophobicContact CB-CG 4.12Å; A229-F232 HydrophobicContact CB-CD1 4.07Å; A229-F232 HydrophobicContact CB-CE1 3.82Å; A229-F232 WeakPolarHBondContact O-CE1 3.46Å; L230-F232 PolarHBondContact O-N 2.89Å; F232-P234 WeakPolarHBondContact CD2-O 3.39Å; F232-I237 HydrophobicContact CD1-CD1 3.88Å; F232-I237 HydrophobicContact CD2-CB 4.27Å; F232-I237 HydrophobicContact CD2-CD1 3.95Å; F232-I237 HydrophobicContact CE1-CD1 3.78Å; F232-I237 HydrophobicContact CE1-CG2 4.47Å; F232-I237 HydrophobicContact CE2-CB 3.74Å; F232-I237 HydrophobicContact CE2-CD1 3.87Å; F232-I237 HydrophobicContact CE2-CG1 4.38Å; F232-I237 HydrophobicContact CE2-CG2 3.58Å; F232-I237 HydrophobicContact CG-CD1 3.97Å; F232-I237 HydrophobicContact CZ-CB 4.13Å; F232-I237 HydrophobicContact CZ-CD1 3.81Å; F232-I237 HydrophobicContact CZ-CG2 3.55Å; F232-T257 HydrophobicContact CE2-CG2 4.13Å; F232-T257 HydrophobicContact CZ-CG2 3.95Å; F232-T264 CarbonylContact O-C 3.55Å; F232-T264 WeakPolarHBondContact O-CA 3.18Å; F232-F265 VanDerWaalsContact CD1-O 3.32Å; F232-F265 WeakPolarHBondContact CD1-O 3.47Å; F232-F265 HydrophobicContact CD2-CB 3.96Å; F232-F265 HydrophobicContact CE1-CB 4.27Å; F232-F265 WeakPolarHBondContact CE1-O 3.04Å; F232-F265 HydrophobicContact CE2-CB 3.49Å; F232-F265 VanDerWaalsContact CE2-CB 3.49Å; F232-F265 HydrophobicContact CE2-CG 4.5Å; F232-F265 HydrophobicContact CZ-CB 3.65Å; F232-F265 PolarHBondContact N-O 3.38Å; F232-F265 PolarHBondContact O-N 3.42Å; F232-K267 HydrophobicContact CE1-CB 4.41Å; F232-K267 HydrophobicContact CZ-CB 4.13Å; F232-H287 AromaticContact CD2-CD2 3.85Å; F232-H287 AromaticContact CD2-NE2 3.69Å
233	Y	96.9	Very high	97.7	Very high	4 Å²	4	27 Å²	27	2%	0.016	14%	0.138	C	C	.	.	B	Isolated β-bridge	trans	-149.3	137.1	171.8	178.1	-82.1	0	0	0	108.8	D54 T55 R205 A206 D207 R263 F265 H287	D54-Y233 HydrophobicContact CB-CE2 3.99Å; T55-Y233 WeakPolarHBondContact OG1-CE2 3.11Å; T55-Y233 PolarHBondContact OG1-OH 2.63Å; R205-Y233 WeakPolarHBondContact O-CD1 3.36Å; A206-Y233 CarbonylContact C-O 3.53Å; A206-Y233 VanDerWaalsContact CA-O 3.24Å; A206-Y233 WeakPolarHBondContact CA-O 3.5Å; D207-Y233 PolarHBondContact N-O 2.88Å; D207-Y233 PolarHBondContact O-N 3.31Å; Y233-R263 HydrophobicContact CD2-CG 3.88Å; Y233-R263 HydrophobicContact CE2-CG 4.08Å; Y233-F265 HydrophobicContact CD2-CE2 4.11Å; Y233-H287 PolarHBondContact O-CE1 2.82Å
234	P	96.1	Very high	97.7	Very high	17 Å²	17	31.9 Å²	31.9	11%	0.11	16%	0.164	C	C	.	.	S	Bend	cis	-71.7	179.1	1.8	30.3	-36.3	0	0	0	113.3	D54 F232 E236 H287 E288	D54-P234 VanDerWaalsContact OD2-CB 3.24Å; D54-P234 WeakPolarHBondContact OD2-CB 3.47Å; F232-P234 WeakPolarHBondContact CD2-O 3.39Å; P234-E236 VanDerWaalsContact C-N 3.33Å; P234-H287 PolarHBondContact O-NE2 2.92Å; P234-E288 WeakPolarHBondContact CG-OE2 3.26Å
235	A	97.1	Very high	97.4	Very high	12 Å²	12	33.1 Å²	33.1	10%	0.099	18%	0.182	C	C	.	.	S	Bend	trans	-70.1	-28.3	-175.8	0	0	0	0	0	113.5	D54 I237 T257 F265	D54-A235 HydrophobicContact CB-CB 4.31Å; D54-A235 WeakPolarHBondContact OD2-CB 3.13Å; D54-A235 PolarHBondContact OD2-N 2.86Å; A235-I237 PolarHBondContact O-N 3.22Å; A235-T257 HydrophobicContact CB-CG2 4.35Å; A235-T257 WeakPolarHBondContact O-CG2 3.39Å; A235-F265 HydrophobicContact CB-CD1 3.69Å; A235-F265 HydrophobicContact CB-CD2 3.68Å; A235-F265 HydrophobicContact CB-CE1 3.62Å; A235-F265 HydrophobicContact CB-CE2 3.63Å; A235-F265 HydrophobicContact CB-CG 3.73Å; A235-F265 HydrophobicContact CB-CZ 3.62Å
236	E	96.2	Very high	97.3	Very high	118 Å²	118	40 Å²	40	55%	0.551	21%	0.213	S	C	*	.			trans	-62.3	125.6	178.1	-167.9	68.3	-156.1	0	0	109.3	W23 P234 H287	W23-E236 HydrophobicContact CD2-CG 4.5Å; W23-E236 HydrophobicContact CE3-CB 4.28Å; W23-E236 HydrophobicContact CE3-CG 4.05Å; W23-E236 HydrophobicContact CH2-CB 3.97Å; W23-E236 HydrophobicContact CH2-CG 3.15Å; W23-E236 HydrophobicContact CZ2-CG 3.56Å; W23-E236 HydrophobicContact CZ3-CB 3.68Å; W23-E236 HydrophobicContact CZ3-CG 3.37Å; W23-E236 WeakPolarHBondContact CZ3-O 3.35Å; P234-E236 VanDerWaalsContact C-N 3.33Å; E236-H287 PolarHBondContact O-CD2 3.15Å
237	I	97.1	Very high	97.1	Very high	10 Å²	10	42 Å²	42	5%	0.051	23%	0.228	C	C	.	.			trans	-160	144.8	-178.3	-165	171.6	0	0	0	109.5	P209 A229 F232 A235 L239 K267 V285 Q286 H287	P209-I237 HydrophobicContact CB-CD1 4.03Å; P209-I237 HydrophobicContact CG-CD1 4.08Å; A229-I237 HydrophobicContact CB-CD1 3.68Å; F232-I237 HydrophobicContact CD1-CD1 3.88Å; F232-I237 HydrophobicContact CD2-CB 4.27Å; F232-I237 HydrophobicContact CD2-CD1 3.95Å; F232-I237 HydrophobicContact CE1-CD1 3.78Å; F232-I237 HydrophobicContact CE1-CG2 4.47Å; F232-I237 HydrophobicContact CE2-CB 3.74Å; F232-I237 HydrophobicContact CE2-CD1 3.87Å; F232-I237 HydrophobicContact CE2-CG1 4.38Å; F232-I237 HydrophobicContact CE2-CG2 3.58Å; F232-I237 HydrophobicContact CG-CD1 3.97Å; F232-I237 HydrophobicContact CZ-CB 4.13Å; F232-I237 HydrophobicContact CZ-CD1 3.81Å; F232-I237 HydrophobicContact CZ-CG2 3.55Å; A235-I237 PolarHBondContact O-N 3.22Å; I237-L239 HydrophobicContact CB-CD1 4.47Å; I237-L239 HydrophobicContact CD1-CD1 3.65Å; I237-L239 HydrophobicContact CG1-CD1 3.65Å; I237-L239 HydrophobicContact CG2-CD1 4.09Å; I237-K267 HydrophobicContact CG2-CB 4.25Å; I237-K267 HydrophobicContact CG2-CD 3.62Å; I237-V285 HydrophobicContact CD1-CG1 4.04Å; I237-V285 HydrophobicContact CG1-CG1 4.36Å; I237-Q286 VanDerWaalsContact CG1-O 3.28Å; I237-Q286 WeakPolarHBondContact CG1-O 3.32Å; I237-H287 HydrophobicContact CD1-CB 4.34Å; I237-H287 HydrophobicContact CG1-CB 4.09Å
238	T	97.7	Very high	97	Very high	47 Å²	47	43.1 Å²	43.1	29%	0.288	23%	0.234	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-115.8	122.4	175.9	-56.1	0	0	0	0	110.2	T240 V285 Q286	T238-T240 HydrophobicContact CG2-CG2 4.1Å; T238-V285 WeakPolarHBondContact O-CA 3.18Å; T238-Q286 PolarHBondContact N-O 2.98Å; T238-Q286 PolarHBondContact O-N 3.25Å
239	L	97.9	Very high	96.6	Very high	7 Å²	7	46 Å²	46	4%	0.037	26%	0.256	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-118.5	122.3	173.1	-85.9	63.6	0	0	0	108.7	A229 I237 L254 K267 A269 H284 V285	A229-L239 HydrophobicContact CB-CD1 4.03Å; A229-L239 HydrophobicContact CB-CD2 4.16Å; I237-L239 HydrophobicContact CB-CD1 4.47Å; I237-L239 HydrophobicContact CD1-CD1 3.65Å; I237-L239 HydrophobicContact CG1-CD1 3.65Å; I237-L239 HydrophobicContact CG2-CD1 4.09Å; L239-L254 HydrophobicContact CB-CD1 4.18Å; L239-K267 HydrophobicContact CD1-CD 4.34Å; L239-K267 HydrophobicContact CD2-CB 4.38Å; L239-K267 HydrophobicContact CD2-CG 4.48Å; L239-A269 HydrophobicContact CB-CB 4.05Å; L239-A269 HydrophobicContact CD2-CB 4.32Å; L239-H284 WeakPolarHBondContact CA-O 3.46Å; L239-V285 HydrophobicContact CD1-CG1 4.11Å; L239-V285 HydrophobicContact CG-CG2 4.31Å
240	T	97.8	Very high	96.3	Very high	39 Å²	39	55 Å²	55	24%	0.239	30%	0.299	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-132.1	146.6	175.8	58.7	0	0	0	0	111.6	T238 C283 H284	T238-T240 HydrophobicContact CG2-CG2 4.1Å; T240-C283 CarbonylContact O-C 3.54Å; T240-C283 WeakPolarHBondContact O-CA 3.39Å; T240-H284 PolarHBondContact N-O 2.99Å; T240-H284 PolarHBondContact O-N 3.37Å
241	W	98.3	Very high	95.9	Very high	2 Å²	2	57.9 Å²	57.9	1%	0.008	31%	0.314	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-100.8	137.6	168.7	-82.6	105.5	0	0	0	110	V213 L225 C227 Q248 A269 V271 T282 C283	V213-W241 HydrophobicContact CG1-CH2 3.86Å; V213-W241 HydrophobicContact CG1-CZ2 4.3Å; V213-W241 HydrophobicContact CG2-CH2 4.29Å; L225-W241 HydrophobicContact CB-CH2 3.69Å; L225-W241 HydrophobicContact CB-CZ2 3.79Å; L225-W241 HydrophobicContact CB-CZ3 4.47Å; L225-W241 HydrophobicContact CD1-CH2 4.05Å; L225-W241 HydrophobicContact CD1-CZ3 4.22Å; C227-W241 HydrophobicContact CB-CH2 4.49Å; C227-W241 HydrophobicContact CB-CZ2 3.64Å; W241-Q248 HydrophobicContact CB-CB 4.23Å; W241-Q248 PolarHBondContact O-N 3.07Å; W241-A269 PolarHBondContact NE1-O 3.05Å; W241-V271 HydrophobicContact CB-CG1 4.37Å; W241-V271 HydrophobicContact CD2-CG1 3.63Å; W241-V271 HydrophobicContact CE3-CG1 4.04Å; W241-V271 HydrophobicContact CG-CB 4.18Å; W241-V271 HydrophobicContact CG-CG1 3.78Å; W241-V271 HydrophobicContact CZ2-CG1 4.36Å; W241-T282 WeakPolarHBondContact CA-O 3.25Å; W241-T282 VanDerWaalsContact CE3-C 3.41Å; W241-C283 HydrophobicContact CD2-CB 4.16Å; W241-C283 HydrophobicContact CE3-CB 4.09Å; W241-C283 HydrophobicContact CH2-CB 3.97Å; W241-C283 HydrophobicContact CZ2-CB 4.05Å; W241-C283 HydrophobicContact CZ3-CB 3.99Å
242	Q	98.1	Very high	95.8	Very high	42 Å²	42	57.9 Å²	57.9	20%	0.196	31%	0.31	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-122.2	145.6	171	-69.5	-173.5	-8	0	0	110.3	E246 D247 Y281 T282 H284	Q242-E246 CarbonylContact C-O 3.51Å; Q242-E246 VanDerWaalsContact CA-O 3.23Å; Q242-E246 WeakPolarHBondContact CA-O 3.26Å; Q242-D247 WeakPolarHBondContact CG-OD1 3.45Å; Q242-D247 PolarHBondContact NE2-OD1 2.87Å; Q242-Y281 CarbonylContact O-C 3.47Å; Q242-Y281 VanDerWaalsContact O-CA 3.25Å; Q242-Y281 WeakPolarHBondContact O-CA 3.38Å; Q242-T282 PolarHBondContact N-O 3.15Å; Q242-T282 PolarHBondContact O-N 2.61Å; Q242-H284 PolarHBondContact OE1-NE2 2.78Å; Q242-H284 VanDerWaalsContact OE1-NE2 3.17Å
243	R	97.6	Very high	95.8	Very high	69 Å²	69	63.4 Å²	63.4	26%	0.26	34%	0.335	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-117	117.9	168.3	-176.2	-171.8	-176	-179.7	-0.6	108.2	G245 E246 Q248 E277 R280 Y281	R243-G245 PolarHBondContact O-N 2.86Å; R243-E246 PolarHBondContact N-O 2.92Å; R243-E246 PolarHBondContact O-N 3.31Å; R243-Q248 HydrophobicContact CB-CG 3.99Å; R243-E277 IonicContact CZ-OE2 2.97Å; R243-E277 IonicContact NE-OE2 3.96Å; R243-E277 IonicContact NH2-OE1 2.77Å; R243-E277 IonicContact NH2-OE2 2.69Å; R243-E277 PolarHBondContact NH2-OE2 3.29Å; R243-R280 WeakPolarHBondContact CA-O 3.45Å; R243-R280 HydrophobicContact CG-CB 4.38Å; R243-Y281 HydrophobicContact CB-CD1 4.1Å; R243-Y281 HydrophobicContact CB-CE1 3.89Å; R243-Y281 WeakPolarHBondContact CD-OH 2.98Å; R243-Y281 HydrophobicContact CG-CD1 4.47Å; R243-Y281 HydrophobicContact CG-CD2 4.45Å; R243-Y281 HydrophobicContact CG-CE1 4.09Å; R243-Y281 HydrophobicContact CG-CE2 4.05Å
244	D	95.8	Very high	95.8	Very high	102 Å²	102	67.4 Å²	67.4	55%	0.545	36%	0.356	S	S	.	.	T	Hydrogen-bonded Turn	trans	50.4	28.7	-175.2	-54.4	-49.4	0	0	0	114.4	R280	D244-R280 PolarHBondContact N-O 3.39Å; D244-R280 IonicContact OD1-NE 2.67Å; D244-R280 PolarHBondContact OD1-NE 3.06Å; D244-R280 IonicContact OD2-CZ 3.69Å; D244-R280 IonicContact OD2-NE 3.51Å; D244-R280 PolarHBondContact OD2-NE 3.02Å; D244-R280 IonicContact OD2-NH2 3.48Å; D244-R280 PolarHBondContact OD2-NH2 3.48Å
245	G	91.9	Very high	95.8	Very high	49 Å²	49	68.2 Å²	68.2	51%	0.505	36%	0.361	S	S	.	.	T	Hydrogen-bonded Turn	trans	91.5	-0.4	-177.7	0	0	0	0	0	115.6	R243	R243-G245 PolarHBondContact O-N 2.86Å
246	E	95.9	Very high	95.8	Very high	143 Å²	143	75.3 Å²	75.3	67%	0.668	39%	0.392	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-97.9	127.1	175.8	-63	-173	168.2	0	0	111.7	Q242 R243 Q248	Q242-E246 CarbonylContact C-O 3.51Å; Q242-E246 VanDerWaalsContact CA-O 3.23Å; Q242-E246 WeakPolarHBondContact CA-O 3.26Å; R243-E246 PolarHBondContact N-O 2.92Å; R243-E246 PolarHBondContact O-N 3.31Å; E246-Q248 PolarHBondContact O-NE2 3.29Å
247	D	95.4	Very high	95.9	Very high	96 Å²	96	71.7 Å²	71.7	51%	0.513	38%	0.378	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-61.6	133.6	-179.7	-69.3	-25.1	0	0	0	112.1	Q242	Q242-D247 WeakPolarHBondContact CG-OD1 3.45Å; Q242-D247 PolarHBondContact NE2-OD1 2.87Å
248	Q	95.4	Very high	95.9	Very high	25 Å²	25	75.9 Å²	75.9	12%	0.117	39%	0.393	C	S	.	.			trans	-103.4	36.5	-177.6	-58	-61.2	-71.5	0	0	112.2	W241 R243 E246 Q250 D251 T252 Y281	W241-Q248 HydrophobicContact CB-CB 4.23Å; W241-Q248 PolarHBondContact O-N 3.07Å; R243-Q248 HydrophobicContact CB-CG 3.99Å; E246-Q248 PolarHBondContact O-NE2 3.29Å; Q248-Q250 VanDerWaalsContact C-N 3.31Å; Q248-Q250 PolarHBondContact O-N 2.9Å; Q248-D251 PolarHBondContact O-N 3.32Å; Q248-D251 VanDerWaalsContact O-N 3.17Å; Q248-T252 VanDerWaalsContact O-CB 3.32Å; Q248-T252 WeakPolarHBondContact O-CB 2.97Å; Q248-T252 PolarHBondContact O-N 3.3Å; Q248-T252 PolarHBondContact O-OG1 2.74Å; Q248-Y281 HydrophobicContact CG-CE1 4.34Å
249	T	90.8	Very high	95.9	Very high	106 Å²	106	78.1 Å²	78.1	65%	0.65	41%	0.409	S	S	*	.	T	Hydrogen-bonded Turn	trans	-57.4	-37.1	-169.2	-49.9	0	0	0	0	114
250	Q	91.4	Very high	95.9	Very high	191 Å²	191	80.2 Å²	80.2	89%	0.893	43%	0.427	S	S	*	.	T	Hydrogen-bonded Turn	trans	-76	-31.3	-179.1	-66.8	-173.3	5.4	0	0	113.1	Q248	Q248-Q250 VanDerWaalsContact C-N 3.31Å; Q248-Q250 PolarHBondContact O-N 2.9Å
251	D	90.3	Very high	95.6	Very high	113 Å²	113	82 Å²	82	60%	0.604	45%	0.453	S	S	*	.	T	Hydrogen-bonded Turn	trans	-94.3	0.5	-177.7	-56.2	-55.6	0	0	0	112.5	Q248	Q248-D251 PolarHBondContact O-N 3.32Å; Q248-D251 VanDerWaalsContact O-N 3.17Å
252	T	95.9	Very high	95.4	Very high	24 Å²	24	87.1 Å²	87.1	15%	0.147	48%	0.48	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-95.3	120.7	-180	-63.6	0	0	0	0	110.7	Q248 L254 A269 A270	Q248-T252 VanDerWaalsContact O-CB 3.32Å; Q248-T252 WeakPolarHBondContact O-CB 2.97Å; Q248-T252 PolarHBondContact O-N 3.3Å; Q248-T252 PolarHBondContact O-OG1 2.74Å; T252-L254 HydrophobicContact CG2-CB 4.47Å; T252-L254 PolarHBondContact O-N 2.8Å; T252-A269 HydrophobicContact CG2-CB 3.93Å; T252-A270 CarbonylContact C-O 3.57Å; T252-A270 VanDerWaalsContact CA-O 3.31Å; T252-A270 WeakPolarHBondContact CA-O 3.31Å
253	E	97.4	Very high	95.1	Very high	116 Å²	116	88 Å²	88	54%	0.542	48%	0.482	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-77.3	107.7	163.7	-173.4	-174.2	-172.2	0	0	108.9	W268 A269 A270	E253-W268 HydrophobicContact CB-CZ3 4.21Å; E253-W268 HydrophobicContact CG-CH2 3.89Å; E253-W268 HydrophobicContact CG-CZ3 3.85Å; E253-W268 WeakPolarHBondContact O-CZ3 3.34Å; E253-W268 WeakPolarHBondContact OE1-CH2 3.23Å; E253-W268 WeakPolarHBondContact OE2-CH2 3.38Å; E253-A269 CarbonylContact O-C 3.56Å; E253-A269 WeakPolarHBondContact O-CA 3.08Å; E253-A270 HydrophobicContact CB-CB 4.44Å; E253-A270 PolarHBondContact N-O 3.05Å; E253-A270 PolarHBondContact O-N 3.14Å
254	L	97.3	Very high	95.1	Very high	87 Å²	87	85.5 Å²	85.5	46%	0.455	48%	0.475	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-111.3	121	178	-174.3	68.2	0	0	0	109.8	L239 T252 K267 A269	L239-L254 HydrophobicContact CB-CD1 4.18Å; T252-L254 HydrophobicContact CG2-CB 4.47Å; T252-L254 PolarHBondContact O-N 2.8Å; L254-K267 HydrophobicContact CD1-CD 4.4Å; L254-A269 HydrophobicContact CD1-CB 3.66Å
255	V	97.1	Very high	95.2	Very high	34 Å²	34	81.9 Å²	81.9	21%	0.206	45%	0.454	C	S	.	.	P	Polyproline II helix	trans	-85.4	153.9	174.9	-65.3	0	0	0	0	112.3	K267 W268	V255-K267 HydrophobicContact CG2-CG 4.44Å; V255-K267 VanDerWaalsContact O-CE 3.28Å; V255-K267 WeakPolarHBondContact O-CE 3.24Å; V255-K267 WeakPolarHBondContact O-CG 3.27Å; V255-K267 PolarHBondContact O-NZ 2.85Å; V255-W268 HydrophobicContact CB-CD2 4.49Å; V255-W268 HydrophobicContact CB-CZ2 4.38Å; V255-W268 HydrophobicContact CG1-CD2 3.97Å; V255-W268 HydrophobicContact CG1-CE3 4.29Å; V255-W268 HydrophobicContact CG1-CH2 3.57Å; V255-W268 HydrophobicContact CG1-CZ2 3.16Å; V255-W268 HydrophobicContact CG1-CZ3 4.09Å; V255-W268 HydrophobicContact CG2-CD2 3.75Å; V255-W268 HydrophobicContact CG2-CE3 4.48Å; V255-W268 HydrophobicContact CG2-CG 3.73Å; V255-W268 HydrophobicContact CG2-CZ2 4.39Å; V255-W268 WeakPolarHBondContact CG2-O 3.41Å; V255-W268 PolarHBondContact N-O 3.07Å
256	E	97.2	Very high	95.5	Very high	161 Å²	161	81.6 Å²	81.6	75%	0.752	44%	0.44	S	S	*	.	P	Polyproline II helix	trans	-57.6	146.3	167.7	-68	-56.9	156.3	0	0	111.8	R258	E256-R258 PolarHBondContact O-N 2.73Å
257	T	98.1	Very high	95.6	Very high	43 Å²	43	75.6 Å²	75.6	26%	0.264	41%	0.411	S	S	.	.	P	Polyproline II helix	trans	-66.8	130.1	174.6	-56.9	0	0	0	0	108.6	F232 A235 F265 K267	F232-T257 HydrophobicContact CE2-CG2 4.13Å; F232-T257 HydrophobicContact CZ-CG2 3.95Å; A235-T257 HydrophobicContact CB-CG2 4.35Å; A235-T257 WeakPolarHBondContact O-CG2 3.39Å; T257-F265 HydrophobicContact CG2-CB 3.77Å; T257-F265 HydrophobicContact CG2-CD1 3.88Å; T257-F265 HydrophobicContact CG2-CG 4.11Å; T257-K267 WeakPolarHBondContact OG1-CD 3.07Å; T257-K267 PolarHBondContact OG1-NZ 2.91Å; T257-K267 VanDerWaalsContact OG1-NZ 3.16Å
258	R	97.6	Very high	95.8	Very high	98 Å²	98	72.1 Å²	72.1	37%	0.37	39%	0.391	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-126.4	144.2	-174.8	68.7	-168.7	-178.9	-173.7	3.2	111.7	E256 F265 Q266	E256-R258 PolarHBondContact O-N 2.73Å; R258-F265 WeakPolarHBondContact O-CA 3.46Å; R258-Q266 HydrophobicContact CG-CG 3.59Å; R258-Q266 PolarHBondContact N-O 3.1Å; R258-Q266 WeakPolarHBondContact O-CG 3.37Å; R258-Q266 PolarHBondContact O-N 2.79Å
259	P	97.4	Very high	95.9	Very high	94 Å²	94	71 Å²	71	61%	0.61	39%	0.385	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-69	144.2	178.3	28.9	-34.7	0	0	0	111	F265	P259-F265 HydrophobicContact CB-CD1 4.48Å; P259-F265 HydrophobicContact CB-CE1 4.26Å
260	A	96.6	Very high	96.3	Very high	50 Å²	50	66 Å²	66	41%	0.413	36%	0.356	S	S	.	.			trans	-88.1	-16.3	172.8	0	0	0	0	0	112.9	D262 T264	A260-D262 WeakPolarHBondContact CB-OD1 3.04Å; A260-T264 WeakPolarHBondContact CB-O 3.35Å; A260-T264 WeakPolarHBondContact CB-OG1 3.23Å; A260-T264 PolarHBondContact N-O 3.33Å
261	G	93.1	Very high	96.6	Very high	77 Å²	77	57 Å²	57	79%	0.794	31%	0.314	S	S	*	.	S	Bend	trans	96.7	-4.4	179.6	0	0	0	0	0	114.6
262	D	92.7	Very high	97	Very high	109 Å²	109	55 Å²	55	58%	0.583	31%	0.305	S	S	*	.	S	Bend	trans	-117.9	32.4	-179.1	65.3	-6.4	0	0	0	111.9	A260 T264	A260-D262 WeakPolarHBondContact CB-OD1 3.04Å; D262-T264 PolarHBondContact O-N 2.05Å; D262-T264 WeakPolarHBondContact OD1-CB 3.28Å; D262-T264 PolarHBondContact OD1-N 3.04Å; D262-T264 VanDerWaalsContact OD1-N 3.12Å; D262-T264 PolarHBondContact OD1-OG1 2.83Å
263	R	92.1	Very high	97	Very high	62 Å²	62	54 Å²	54	23%	0.234	30%	0.299	C	S	.	.	S	Bend	trans	73.4	-20.1	-169.7	-179.5	-175.9	168.3	-136	-15.9	115.1	T202 Y233 F265	T202-R263 VanDerWaalsContact CA-NH1 3.31Å; T202-R263 VanDerWaalsContact CB-NH1 3.28Å; T202-R263 PolarHBondContact O-NH1 2.73Å; T202-R263 PolarHBondContact O-NH2 3.12Å; Y233-R263 HydrophobicContact CD2-CG 3.88Å; Y233-R263 HydrophobicContact CE2-CG 4.08Å; R263-F265 WeakPolarHBondContact O-CE2 3.16Å
264	T	97.1	Very high	97	Very high	16 Å²	16	50.5 Å²	50.5	10%	0.098	29%	0.286	C	S	.	.			trans	-85.7	168.7	-179.1	75.9	0	0	0	0	113	G231 F232 A260 D262	G231-T264 WeakPolarHBondContact CA-OG1 3.32Å; F232-T264 CarbonylContact O-C 3.55Å; F232-T264 WeakPolarHBondContact O-CA 3.18Å; A260-T264 WeakPolarHBondContact CB-O 3.35Å; A260-T264 WeakPolarHBondContact CB-OG1 3.23Å; A260-T264 PolarHBondContact N-O 3.33Å; D262-T264 PolarHBondContact O-N 2.05Å; D262-T264 WeakPolarHBondContact OD1-CB 3.28Å; D262-T264 PolarHBondContact OD1-N 3.04Å; D262-T264 VanDerWaalsContact OD1-N 3.12Å; D262-T264 PolarHBondContact OD1-OG1 2.83Å
265	F	98.4	Very high	96.8	Very high	25 Å²	25	49 Å²	49	11%	0.11	28%	0.283	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-119.8	163.9	-179.8	-64.4	-88.1	0	0	0	111.9	D54 G231 F232 Y233 A235 T257 R258 P259 R263	D54-F265 HydrophobicContact CB-CE2 3.8Å; D54-F265 HydrophobicContact CB-CZ 3.74Å; G231-F265 PolarHBondContact N-O 3.28Å; F232-F265 VanDerWaalsContact CD1-O 3.32Å; F232-F265 WeakPolarHBondContact CD1-O 3.47Å; F232-F265 HydrophobicContact CD2-CB 3.96Å; F232-F265 HydrophobicContact CE1-CB 4.27Å; F232-F265 WeakPolarHBondContact CE1-O 3.04Å; F232-F265 HydrophobicContact CE2-CB 3.49Å; F232-F265 VanDerWaalsContact CE2-CB 3.49Å; F232-F265 HydrophobicContact CE2-CG 4.5Å; F232-F265 HydrophobicContact CZ-CB 3.65Å; F232-F265 PolarHBondContact N-O 3.38Å; F232-F265 PolarHBondContact O-N 3.42Å; Y233-F265 HydrophobicContact CD2-CE2 4.11Å; A235-F265 HydrophobicContact CB-CD1 3.69Å; A235-F265 HydrophobicContact CB-CD2 3.68Å; A235-F265 HydrophobicContact CB-CE1 3.62Å; A235-F265 HydrophobicContact CB-CE2 3.63Å; A235-F265 HydrophobicContact CB-CG 3.73Å; A235-F265 HydrophobicContact CB-CZ 3.62Å; T257-F265 HydrophobicContact CG2-CB 3.77Å; T257-F265 HydrophobicContact CG2-CD1 3.88Å; T257-F265 HydrophobicContact CG2-CG 4.11Å; R258-F265 WeakPolarHBondContact O-CA 3.46Å; P259-F265 HydrophobicContact CB-CD1 4.48Å; P259-F265 HydrophobicContact CB-CE1 4.26Å; R263-F265 WeakPolarHBondContact O-CE2 3.16Å
266	Q	98.4	Very high	96.6	Very high	44 Å²	44	50.6 Å²	50.6	21%	0.206	31%	0.306	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-141.4	144.8	174.2	42.6	167.4	-22	0	0	109.9	A229 L230 R258	A229-Q266 VanDerWaalsContact O-CA 3.29Å; A229-Q266 WeakPolarHBondContact O-CA 3.31Å; L230-Q266 HydrophobicContact CD2-CB 3.53Å; R258-Q266 HydrophobicContact CG-CG 3.59Å; R258-Q266 PolarHBondContact N-O 3.1Å; R258-Q266 WeakPolarHBondContact O-CG 3.37Å; R258-Q266 PolarHBondContact O-N 2.79Å
267	K	98.6	Very high	96.6	Very high	16 Å²	16	45.4 Å²	45.4	7%	0.07	28%	0.282	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-149.4	154.3	176.6	-161.4	-176.5	-171.4	70.1	0	108.9	A229 F232 I237 L239 L254 V255 T257	A229-K267 PolarHBondContact N-O 3.47Å; A229-K267 PolarHBondContact O-N 3.16Å; A229-K267 VanDerWaalsContact O-O 3.1Å; F232-K267 HydrophobicContact CE1-CB 4.41Å; F232-K267 HydrophobicContact CZ-CB 4.13Å; I237-K267 HydrophobicContact CG2-CB 4.25Å; I237-K267 HydrophobicContact CG2-CD 3.62Å; L239-K267 HydrophobicContact CD1-CD 4.34Å; L239-K267 HydrophobicContact CD2-CB 4.38Å; L239-K267 HydrophobicContact CD2-CG 4.48Å; L254-K267 HydrophobicContact CD1-CD 4.4Å; V255-K267 HydrophobicContact CG2-CG 4.44Å; V255-K267 VanDerWaalsContact O-CE 3.28Å; V255-K267 WeakPolarHBondContact O-CE 3.24Å; V255-K267 WeakPolarHBondContact O-CG 3.27Å; V255-K267 PolarHBondContact O-NZ 2.85Å; T257-K267 WeakPolarHBondContact OG1-CD 3.07Å; T257-K267 PolarHBondContact OG1-NZ 2.91Å; T257-K267 VanDerWaalsContact OG1-NZ 3.16Å
268	W	98.5	Very high	96.4	Very high	24 Å²	24	44.3 Å²	44.3	9%	0.091	27%	0.274	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-143.2	155.6	169.6	59.7	-99.5	0	0	0	111.5	R226 C227 W228 E253 V255 A270	R226-W268 HydrophobicContact CG-CB 4Å; R226-W268 HydrophobicContact CG-CD2 4.11Å; R226-W268 HydrophobicContact CG-CE3 3.9Å; R226-W268 HydrophobicContact CG-CG 4.21Å; C227-W268 CarbonylContact O-C 3.55Å; C227-W268 WeakPolarHBondContact O-CA 3.29Å; C227-W268 WeakPolarHBondContact O-CB 3.39Å; W228-W268 HydrophobicContact CD2-CB 3.95Å; W228-W268 HydrophobicContact CD2-CG 4.47Å; W228-W268 HydrophobicContact CE3-CB 3.87Å; W228-W268 AromaticContact CE3-CD1 3.89Å; W228-W268 HydrophobicContact CE3-CG 4.2Å; W228-W268 HydrophobicContact CG-CB 4.39Å; W228-W268 AromaticContact CH2-CD1 3.6Å; W228-W268 HydrophobicContact CH2-CG 4.26Å; W228-W268 HydrophobicContact CZ3-CB 4.28Å; W228-W268 AromaticContact CZ3-CD1 3.4Å; W228-W268 VanDerWaalsContact CZ3-CD1 3.4Å; W228-W268 HydrophobicContact CZ3-CG 4.11Å; E253-W268 HydrophobicContact CB-CZ3 4.21Å; E253-W268 HydrophobicContact CG-CH2 3.89Å; E253-W268 HydrophobicContact CG-CZ3 3.85Å; E253-W268 WeakPolarHBondContact O-CZ3 3.34Å; E253-W268 WeakPolarHBondContact OE1-CH2 3.23Å; E253-W268 WeakPolarHBondContact OE2-CH2 3.38Å; V255-W268 HydrophobicContact CB-CD2 4.49Å; V255-W268 HydrophobicContact CB-CZ2 4.38Å; V255-W268 HydrophobicContact CG1-CD2 3.97Å; V255-W268 HydrophobicContact CG1-CE3 4.29Å; V255-W268 HydrophobicContact CG1-CH2 3.57Å; V255-W268 HydrophobicContact CG1-CZ2 3.16Å; V255-W268 HydrophobicContact CG1-CZ3 4.09Å; V255-W268 HydrophobicContact CG2-CD2 3.75Å; V255-W268 HydrophobicContact CG2-CE3 4.48Å; V255-W268 HydrophobicContact CG2-CG 3.73Å; V255-W268 HydrophobicContact CG2-CZ2 4.39Å; V255-W268 WeakPolarHBondContact CG2-O 3.41Å; V255-W268 PolarHBondContact N-O 3.07Å; W268-A270 HydrophobicContact CE3-CB 3.91Å; W268-A270 HydrophobicContact CZ3-CB 3.61Å
269	A	98.4	Very high	96.3	Very high	0 Å²	0	44.1 Å²	44.1	0%	0	28%	0.277	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-128.4	131.2	173.9	0	0	0	0	0	108.5	R226 C227 L239 W241 T252 E253 L254	R226-A269 WeakPolarHBondContact CA-O 3.41Å; C227-A269 PolarHBondContact N-O 3.37Å; C227-A269 PolarHBondContact O-N 3.39Å; L239-A269 HydrophobicContact CB-CB 4.05Å; L239-A269 HydrophobicContact CD2-CB 4.32Å; W241-A269 PolarHBondContact NE1-O 3.05Å; T252-A269 HydrophobicContact CG2-CB 3.93Å; E253-A269 CarbonylContact O-C 3.56Å; E253-A269 WeakPolarHBondContact O-CA 3.08Å; L254-A269 HydrophobicContact CD1-CB 3.66Å
270	A	98.3	Very high	96.3	Very high	3 Å²	3	44.3 Å²	44.3	3%	0.025	27%	0.266	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-124.1	145.3	-179.9	0	0	0	0	0	112	T224 L225 R226 T252 E253 W268	T224-A270 HydrophobicContact CG2-CB 3.86Å; L225-A270 CarbonylContact O-C 3.57Å; L225-A270 WeakPolarHBondContact O-CA 3.49Å; R226-A270 HydrophobicContact CB-CB 4Å; R226-A270 HydrophobicContact CG-CB 4.13Å; T252-A270 CarbonylContact C-O 3.57Å; T252-A270 VanDerWaalsContact CA-O 3.31Å; T252-A270 WeakPolarHBondContact CA-O 3.31Å; E253-A270 HydrophobicContact CB-CB 4.44Å; E253-A270 PolarHBondContact N-O 3.05Å; E253-A270 PolarHBondContact O-N 3.14Å; W268-A270 HydrophobicContact CE3-CB 3.91Å; W268-A270 HydrophobicContact CZ3-CB 3.61Å
271	V	98.1	Very high	96.4	Very high	2 Å²	2	42.2 Å²	42.2	1%	0.012	25%	0.247	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-135.5	141.9	175.7	63	0	0	0	0	109	T224 L225 W241 V273 Y281	T224-V271 WeakPolarHBondContact CA-O 3.3Å; L225-V271 HydrophobicContact CB-CG1 4.24Å; L225-V271 PolarHBondContact N-O 3.02Å; L225-V271 PolarHBondContact O-N 3.44Å; W241-V271 HydrophobicContact CB-CG1 4.37Å; W241-V271 HydrophobicContact CD2-CG1 3.63Å; W241-V271 HydrophobicContact CE3-CG1 4.04Å; W241-V271 HydrophobicContact CG-CB 4.18Å; W241-V271 HydrophobicContact CG-CG1 3.78Å; W241-V271 HydrophobicContact CZ2-CG1 4.36Å; V271-V273 HydrophobicContact CG1-CG1 3.77Å; V271-V273 HydrophobicContact CG2-CG1 4.41Å; V271-Y281 HydrophobicContact CG1-CD1 3.99Å; V271-Y281 HydrophobicContact CG1-CE1 4.38Å; V271-Y281 HydrophobicContact CG2-CD1 4.41Å; V271-Y281 HydrophobicContact CG2-CE1 4.02Å
272	V	97.9	Very high	96.6	Very high	71 Å²	71	39.1 Å²	39.1	43%	0.43	21%	0.213	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-85.7	128.1	171.2	-179.7	0	0	0	0	108.1	I218 E222 A223	I218-V272 HydrophobicContact CD1-CG1 4Å; I218-V272 HydrophobicContact CD1-CG2 4.05Å; E222-V272 HydrophobicContact CB-CG1 4.07Å; E222-V272 HydrophobicContact CG-CG1 4.31Å; A223-V272 WeakPolarHBondContact O-CA 3.45Å
273	V	97.1	Very high	96.9	Very high	1 Å²	1	34 Å²	34	1%	0.006	19%	0.185	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-126.4	145.2	-175.4	-51.5	0	0	0	0	110.5	E222 A223 L225 V271 E278 Y281	E222-V273 VanDerWaalsContact CA-O 3.32Å; E222-V273 WeakPolarHBondContact CA-O 3.22Å; A223-V273 PolarHBondContact N-O 2.71Å; A223-V273 PolarHBondContact O-N 3.41Å; L225-V273 HydrophobicContact CD1-CG1 4.01Å; L225-V273 HydrophobicContact CD1-CG2 4.08Å; L225-V273 HydrophobicContact CG-CG1 4.15Å; L225-V273 HydrophobicContact CG-CG2 3.86Å; V271-V273 HydrophobicContact CG1-CG1 3.77Å; V271-V273 HydrophobicContact CG2-CG1 4.41Å; V273-E278 HydrophobicContact CG2-CG 3.93Å; V273-Y281 HydrophobicContact CB-CD2 4.02Å; V273-Y281 HydrophobicContact CB-CE2 3.69Å; V273-Y281 HydrophobicContact CG1-CD1 3.71Å; V273-Y281 HydrophobicContact CG1-CD2 3.62Å; V273-Y281 HydrophobicContact CG1-CE1 3.62Å; V273-Y281 HydrophobicContact CG1-CE2 3.56Å; V273-Y281 HydrophobicContact CG1-CG 3.7Å
274	P	96.9	Very high	97.2	Very high	44 Å²	44	32.6 Å²	32.6	29%	0.286	18%	0.182	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-62.2	139.9	169.9	-20.6	32.5	0	0	0	111.3	H221 G276 E277	H221-P274 CarbonylContact O-C 3.55Å; H221-P274 WeakPolarHBondContact O-CA 3.33Å; P274-G276 PolarHBondContact O-N 3.06Å; P274-E277 HydrophobicContact CB-CB 4.3Å; P274-E277 HydrophobicContact CB-CG 4.09Å; P274-E277 WeakPolarHBondContact O-CB 3.27Å; P274-E277 PolarHBondContact O-N 2.95Å
275	S	93.8	Very high	97.2	Very high	56 Å²	56	31.9 Å²	31.9	39%	0.392	18%	0.177	S	C	.	.	T	Hydrogen-bonded Turn	trans	-59.4	130	176.8	-63.4	0	0	0	0	111.2	H221 E222 E277 E278	H221-S275 PolarHBondContact O-N 2.85Å; E222-S275 PolarHBondContact N-OG 3.43Å; S275-E277 VanDerWaalsContact C-N 3.34Å; S275-E278 WeakPolarHBondContact CA-OE1 3.46Å
276	G	92.5	Very high	97.2	Very high	67 Å²	67	33.4 Å²	33.4	69%	0.691	18%	0.184	S	C	*	.	T	Hydrogen-bonded Turn	trans	88.8	-7.2	-176.3	0	0	0	0	0	114.7	P274 E278	P274-G276 PolarHBondContact O-N 3.06Å; G276-E278 WeakPolarHBondContact CA-OE2 3.44Å; G276-E278 VanDerWaalsContact N-CD 3.31Å; G276-E278 PolarHBondContact N-OE1 3.04Å; G276-E278 PolarHBondContact N-OE2 3.15Å
277	E	96.1	Very high	97.1	Very high	52 Å²	52	31.9 Å²	31.9	24%	0.243	18%	0.177	C	C	.	.			trans	-99.9	3.3	176.2	-65.3	-159.1	-156.9	0	0	113.8	R243 P274 S275 Q279 R280 Y281	R243-E277 IonicContact CZ-OE2 2.97Å; R243-E277 IonicContact NE-OE2 3.96Å; R243-E277 IonicContact NH2-OE1 2.77Å; R243-E277 IonicContact NH2-OE2 2.69Å; R243-E277 PolarHBondContact NH2-OE2 3.29Å; P274-E277 HydrophobicContact CB-CB 4.3Å; P274-E277 HydrophobicContact CB-CG 4.09Å; P274-E277 WeakPolarHBondContact O-CB 3.27Å; P274-E277 PolarHBondContact O-N 2.95Å; S275-E277 VanDerWaalsContact C-N 3.34Å; E277-Q279 PolarHBondContact O-N 3.13Å; E277-R280 WeakPolarHBondContact O-CB 3.37Å; E277-R280 PolarHBondContact O-N 2.91Å; E277-R280 IonicContact OE1-NH1 3.71Å; E277-R280 IonicContact OE2-CZ 3.34Å; E277-R280 IonicContact OE2-NE 3.68Å; E277-R280 IonicContact OE2-NH1 3.79Å; E277-R280 PolarHBondContact OE2-NH1 3.29Å; E277-Y281 HydrophobicContact CB-CE2 4.41Å; E277-Y281 WeakPolarHBondContact O-CD2 3.01Å
278	E	95.6	Very high	96.8	Very high	19 Å²	19	34.8 Å²	34.8	9%	0.089	19%	0.191	C	C	.	.	G	3₁₀ helix	trans	-56.6	-33	-171	-57.7	80.9	-177.8	0	0	112.7	H215 L225 V273 S275 G276 R280 Y281 W298	H215-E278 IonicContact NE2-OE1 3.91Å; L225-E278 HydrophobicContact CD1-CB 4.09Å; L225-E278 HydrophobicContact CD1-CG 4.49Å; L225-E278 HydrophobicContact CD2-CB 4.49Å; L225-E278 HydrophobicContact CD2-CG 4.32Å; V273-E278 HydrophobicContact CG2-CG 3.93Å; S275-E278 WeakPolarHBondContact CA-OE1 3.46Å; G276-E278 WeakPolarHBondContact CA-OE2 3.44Å; G276-E278 VanDerWaalsContact N-CD 3.31Å; G276-E278 PolarHBondContact N-OE1 3.04Å; G276-E278 PolarHBondContact N-OE2 3.15Å; E278-R280 VanDerWaalsContact C-N 3.26Å; E278-R280 PolarHBondContact O-N 2.99Å; E278-Y281 PolarHBondContact O-N 3.08Å; E278-W298 HydrophobicContact CB-CD2 4.45Å; E278-W298 HydrophobicContact CB-CE3 3.45Å; E278-W298 VanDerWaalsContact CB-CE3 3.45Å; E278-W298 HydrophobicContact CB-CZ3 3.88Å; E278-W298 HydrophobicContact CG-CE3 3.72Å; E278-W298 HydrophobicContact CG-CZ3 3.79Å
279	Q	95.6	Very high	96.6	Very high	94 Å²	94	34.6 Å²	34.6	44%	0.439	20%	0.197	S	C	.	.	G	3₁₀ helix	trans	-72.7	-15.9	-179.1	-62.5	-56.4	-46.1	0	0	114.1	E277 R297 W298	E277-Q279 PolarHBondContact O-N 3.13Å; Q279-R297 PolarHBondContact O-NE 3.44Å; Q279-W298 PolarHBondContact NE2-O 3.19Å
280	R	97.1	Very high	96.5	Very high	99 Å²	99	35.9 Å²	35.9	37%	0.374	20%	0.204	S	C	.	.	G	3₁₀ helix	trans	-75.9	-17.2	172.7	-63.3	174	67.7	178.8	5.1	112.1	R243 D244 E277 E278	R243-R280 WeakPolarHBondContact CA-O 3.45Å; R243-R280 HydrophobicContact CG-CB 4.38Å; D244-R280 PolarHBondContact N-O 3.39Å; D244-R280 IonicContact OD1-NE 2.67Å; D244-R280 PolarHBondContact OD1-NE 3.06Å; D244-R280 IonicContact OD2-CZ 3.69Å; D244-R280 IonicContact OD2-NE 3.51Å; D244-R280 PolarHBondContact OD2-NE 3.02Å; D244-R280 IonicContact OD2-NH2 3.48Å; D244-R280 PolarHBondContact OD2-NH2 3.48Å; E277-R280 WeakPolarHBondContact O-CB 3.37Å; E277-R280 PolarHBondContact O-N 2.91Å; E277-R280 IonicContact OE1-NH1 3.71Å; E277-R280 IonicContact OE2-CZ 3.34Å; E277-R280 IonicContact OE2-NE 3.68Å; E277-R280 IonicContact OE2-NH1 3.79Å; E277-R280 PolarHBondContact OE2-NH1 3.29Å; E278-R280 VanDerWaalsContact C-N 3.26Å; E278-R280 PolarHBondContact O-N 2.99Å
281	Y	97.9	Very high	96.3	Very high	6 Å²	6	42 Å²	42	2%	0.024	24%	0.243	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-95.9	131.5	-177.6	-69.2	-100.5	0	0	0	111.3	Q242 R243 Q248 V271 V273 E277 E278	Q242-Y281 CarbonylContact O-C 3.47Å; Q242-Y281 VanDerWaalsContact O-CA 3.25Å; Q242-Y281 WeakPolarHBondContact O-CA 3.38Å; R243-Y281 HydrophobicContact CB-CD1 4.1Å; R243-Y281 HydrophobicContact CB-CE1 3.89Å; R243-Y281 WeakPolarHBondContact CD-OH 2.98Å; R243-Y281 HydrophobicContact CG-CD1 4.47Å; R243-Y281 HydrophobicContact CG-CD2 4.45Å; R243-Y281 HydrophobicContact CG-CE1 4.09Å; R243-Y281 HydrophobicContact CG-CE2 4.05Å; Q248-Y281 HydrophobicContact CG-CE1 4.34Å; V271-Y281 HydrophobicContact CG1-CD1 3.99Å; V271-Y281 HydrophobicContact CG1-CE1 4.38Å; V271-Y281 HydrophobicContact CG2-CD1 4.41Å; V271-Y281 HydrophobicContact CG2-CE1 4.02Å; V273-Y281 HydrophobicContact CB-CD2 4.02Å; V273-Y281 HydrophobicContact CB-CE2 3.69Å; V273-Y281 HydrophobicContact CG1-CD1 3.71Å; V273-Y281 HydrophobicContact CG1-CD2 3.62Å; V273-Y281 HydrophobicContact CG1-CE1 3.62Å; V273-Y281 HydrophobicContact CG1-CE2 3.56Å; V273-Y281 HydrophobicContact CG1-CG 3.7Å; E277-Y281 HydrophobicContact CB-CE2 4.41Å; E277-Y281 WeakPolarHBondContact O-CD2 3.01Å; E278-Y281 PolarHBondContact O-N 3.08Å
282	T	98.1	Very high	96	Very high	12 Å²	12	49.7 Å²	49.7	7%	0.074	28%	0.276	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-125.9	131.9	175.7	47.3	0	0	0	0	110.6	W241 Q242 H284 T295 L296 R297	W241-T282 WeakPolarHBondContact CA-O 3.25Å; W241-T282 VanDerWaalsContact CE3-C 3.41Å; Q242-T282 PolarHBondContact N-O 3.15Å; Q242-T282 PolarHBondContact O-N 2.61Å; T282-H284 PolarHBondContact OG1-NE2 3.09Å; T282-T295 HydrophobicContact CG2-CG2 3.91Å; T282-L296 CarbonylContact C-O 3.58Å; T282-L296 WeakPolarHBondContact CA-O 3.48Å; T282-R297 HydrophobicContact CG2-CG 3.63Å
283	C	98.3	Very high	96	Very high	0 Å²	0	49.5 Å²	49.5	0%	0	28%	0.277	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-91.3	129.6	169.6	174.6	0	0	0	0	109.5	C227 T240 W241 T295 L296	C227-C283 HydrophobicContact CB-CB 3.52Å; C227-C283 WeakPolarHBondContact CB-SG 3.21Å; C227-C283 WeakPolarHBondContact SG-CB 3.49Å; C227-C283 CovalentContact SG-SG 2.03Å; C227-C283 PolarHBondContact SG-SG 2.93Å; T240-C283 CarbonylContact O-C 3.54Å; T240-C283 WeakPolarHBondContact O-CA 3.39Å; W241-C283 HydrophobicContact CD2-CB 4.16Å; W241-C283 HydrophobicContact CE3-CB 4.09Å; W241-C283 HydrophobicContact CH2-CB 3.97Å; W241-C283 HydrophobicContact CZ2-CB 4.05Å; W241-C283 HydrophobicContact CZ3-CB 3.99Å; C283-T295 CarbonylContact O-C 3.54Å; C283-T295 WeakPolarHBondContact O-CA 3.37Å; C283-L296 HydrophobicContact CB-CB 4.35Å; C283-L296 PolarHBondContact N-O 2.77Å; C283-L296 PolarHBondContact O-N 3.16Å
284	H	98.1	Very high	96	Very high	34 Å²	34	52.4 Å²	52.4	16%	0.157	29%	0.291	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-108.8	131.2	176.5	-64	-105.6	0	0	0	109.6	L239 T240 Q242 T282 L294 T295	L239-H284 WeakPolarHBondContact CA-O 3.46Å; T240-H284 PolarHBondContact N-O 2.99Å; T240-H284 PolarHBondContact O-N 3.37Å; Q242-H284 PolarHBondContact OE1-NE2 2.78Å; Q242-H284 VanDerWaalsContact OE1-NE2 3.17Å; T282-H284 PolarHBondContact OG1-NE2 3.09Å; H284-L294 CarbonylContact C-O 3.59Å; H284-L294 WeakPolarHBondContact CA-O 3.49Å; H284-T295 PolarHBondContact ND1-OG1 3.02Å
285	V	98.3	Very high	96	Very high	0 Å²	0	54.4 Å²	54.4	0%	0	30%	0.303	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-124.3	122.4	-178.7	-174.4	0	0	0	0	109.4	P209 T211 I237 T238 L239 L290 P293 L294 L296	P209-V285 HydrophobicContact CG-CG1 3.94Å; T211-V285 HydrophobicContact CG2-CB 4.37Å; T211-V285 HydrophobicContact CG2-CG1 4.09Å; T211-V285 HydrophobicContact CG2-CG2 4Å; I237-V285 HydrophobicContact CD1-CG1 4.04Å; I237-V285 HydrophobicContact CG1-CG1 4.36Å; T238-V285 WeakPolarHBondContact O-CA 3.18Å; L239-V285 HydrophobicContact CD1-CG1 4.11Å; L239-V285 HydrophobicContact CG-CG2 4.31Å; V285-L290 HydrophobicContact CG1-CD1 4.22Å; V285-P293 WeakPolarHBondContact O-CA 3.36Å; V285-L294 HydrophobicContact CB-CB 4.36Å; V285-L294 PolarHBondContact N-O 2.9Å; V285-L294 PolarHBondContact O-N 2.86Å; V285-L296 HydrophobicContact CG2-CD1 3.75Å
286	Q	97.6	Very high	96.2	Very high	57 Å²	57	53.1 Å²	53.1	27%	0.266	29%	0.292	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-118.5	131.6	174.2	-51.9	179.3	12.9	0	0	109.2	I237 T238 P293	I237-Q286 VanDerWaalsContact CG1-O 3.28Å; I237-Q286 WeakPolarHBondContact CG1-O 3.32Å; T238-Q286 PolarHBondContact N-O 2.98Å; T238-Q286 PolarHBondContact O-N 3.25Å; Q286-P293 HydrophobicContact CG-CB 4.09Å; Q286-P293 HydrophobicContact CG-CG 4.16Å
287	H	96.3	Very high	96.4	Very high	12 Å²	12	56.7 Å²	56.7	6%	0.056	28%	0.284	C	S	.	.			trans	-158.8	146.2	-178.3	-174.4	-99.4	0	0	0	109	D207 P209 F232 Y233 P234 E236 I237 G289 L290	D207-H287 PolarHBondContact O-CE1 3.26Å; D207-H287 VanDerWaalsContact O-CE1 3.29Å; P209-H287 HydrophobicContact CG-CB 4.09Å; F232-H287 AromaticContact CD2-CD2 3.85Å; F232-H287 AromaticContact CD2-NE2 3.69Å; Y233-H287 PolarHBondContact O-CE1 2.82Å; P234-H287 PolarHBondContact O-NE2 2.92Å; E236-H287 PolarHBondContact O-CD2 3.15Å; I237-H287 HydrophobicContact CD1-CB 4.34Å; I237-H287 HydrophobicContact CG1-CB 4.09Å; H287-G289 PolarHBondContact ND1-N 2.88Å; H287-G289 PolarHBondContact O-N 2.89Å; H287-L290 HydrophobicContact CB-CD1 3.96Å; H287-L290 HydrophobicContact CB-CG 4.15Å; H287-L290 WeakPolarHBondContact O-CB 3.41Å; H287-L290 PolarHBondContact O-N 3.38Å
288	E	93.4	Very high	96.4	Very high	78 Å²	78	56.5 Å²	56.5	36%	0.364	28%	0.281	S	S	.	.	T	Hydrogen-bonded Turn	trans	-58.1	-35.2	-179.7	-172.9	-172.6	169.1	0	0	113	W23 A206 P234 L290	W23-E288 HydrophobicContact CB-CG 4.46Å; W23-E288 HydrophobicContact CE3-CB 4.25Å; A206-E288 HydrophobicContact CB-CG 4.39Å; P234-E288 WeakPolarHBondContact CG-OE2 3.26Å; E288-L290 PolarHBondContact O-N 3.49Å
289	G	93.8	Very high	96.1	Very high	20 Å²	20	63.3 Å²	63.3	21%	0.206	31%	0.313	C	S	.	.	T	Hydrogen-bonded Turn	trans	-70.2	-10.2	178.4	0	0	0	0	0	114	H287	H287-G289 PolarHBondContact ND1-N 2.88Å; H287-G289 PolarHBondContact O-N 2.89Å
290	L	95.4	Very high	95.5	Very high	27 Å²	27	62.7 Å²	62.7	14%	0.141	32%	0.318	C	S	.	.			trans	-94.8	126.7	178.9	-65.9	170.8	0	0	0	110.8	P208 P209 V285 H287 E288 K292 L294	P208-L290 HydrophobicContact CB-CD2 3.88Å; P208-L290 HydrophobicContact CB-CG 4.42Å; P209-L290 HydrophobicContact CG-CD1 3.89Å; P209-L290 HydrophobicContact CG-CD2 4.44Å; P209-L290 HydrophobicContact CG-CG 4.22Å; V285-L290 HydrophobicContact CG1-CD1 4.22Å; H287-L290 HydrophobicContact CB-CD1 3.96Å; H287-L290 HydrophobicContact CB-CG 4.15Å; H287-L290 WeakPolarHBondContact O-CB 3.41Å; H287-L290 PolarHBondContact O-N 3.38Å; E288-L290 PolarHBondContact O-N 3.49Å; L290-K292 WeakPolarHBondContact CB-O 3.44Å; L290-K292 PolarHBondContact O-N 2.95Å; L290-L294 HydrophobicContact CD1-CD1 4.01Å; L290-L294 HydrophobicContact CD1-CG 3.89Å; L290-L294 HydrophobicContact CD2-CD1 3.72Å; L290-L294 HydrophobicContact CD2-CG 3.97Å
291	P	93.5	Very high	93.8	Very high	131 Å²	131	62.9 Å²	62.9	85%	0.851	33%	0.334	S	S	*	.	S	Bend	trans	-66.1	-24.1	176.9	27.5	-35	0	0	0	112.6
292	K	93.8	Very high	91.4	Very high	163 Å²	163	68 Å²	68	71%	0.709	37%	0.371	S	S	*	.	S	Bend	trans	-147.7	149.3	173.3	-63.7	-176	-177.4	176.6	0	108.9	L290	L290-K292 WeakPolarHBondContact CB-O 3.44Å; L290-K292 PolarHBondContact O-N 2.95Å
293	P	96	Very high	88.9	Confident	68 Å²	68	75.4 Å²	75.4	44%	0.442	40%	0.404	S	S	.	.			trans	-51.7	141.7	171.3	-27.8	36.2	0	0	0	112.2	V285 Q286	V285-P293 WeakPolarHBondContact O-CA 3.36Å; Q286-P293 HydrophobicContact CG-CB 4.09Å; Q286-P293 HydrophobicContact CG-CG 4.16Å
294	L	97.1	Very high	86.2	Confident	61 Å²	61	79.8 Å²	79.8	32%	0.319	44%	0.435	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-93.6	142.2	174.8	-62.6	177.9	0	0	0	110.1	T211 H284 V285 L290 L296	T211-L294 HydrophobicContact CG2-CD1 4.36Å; H284-L294 CarbonylContact C-O 3.59Å; H284-L294 WeakPolarHBondContact CA-O 3.49Å; V285-L294 HydrophobicContact CB-CB 4.36Å; V285-L294 PolarHBondContact N-O 2.9Å; V285-L294 PolarHBondContact O-N 2.86Å; L290-L294 HydrophobicContact CD1-CD1 4.01Å; L290-L294 HydrophobicContact CD1-CG 3.89Å; L290-L294 HydrophobicContact CD2-CD1 3.72Å; L290-L294 HydrophobicContact CD2-CG 3.97Å; L294-L296 HydrophobicContact CB-CD1 4.1Å
295	T	97.9	Very high	83.8	Confident	87 Å²	87	84.3 Å²	84.3	53%	0.534	47%	0.465	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-119.8	116.9	170.1	-55.8	0	0	0	0	108.1	T282 C283 H284	T282-T295 HydrophobicContact CG2-CG2 3.91Å; C283-T295 CarbonylContact O-C 3.54Å; C283-T295 WeakPolarHBondContact O-CA 3.37Å; H284-T295 PolarHBondContact ND1-OG1 3.02Å
296	L	97.4	Very high	81.6	Confident	28 Å²	28	87.8 Å²	87.8	15%	0.147	49%	0.486	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-110.2	144.1	-179.4	-60.8	100.9	0	0	0	110.7	T211 V213 T282 C283 V285 L294	T211-L296 HydrophobicContact CG2-CD1 4.47Å; V213-L296 HydrophobicContact CG2-CB 3.8Å; T282-L296 CarbonylContact C-O 3.58Å; T282-L296 WeakPolarHBondContact CA-O 3.48Å; C283-L296 HydrophobicContact CB-CB 4.35Å; C283-L296 PolarHBondContact N-O 2.77Å; C283-L296 PolarHBondContact O-N 3.16Å; V285-L296 HydrophobicContact CG2-CD1 3.75Å; L294-L296 HydrophobicContact CB-CD1 4.1Å
297	R	96.5	Very high	79.5	Confident	143 Å²	143	89.1 Å²	89.1	54%	0.54	50%	0.5	S	S	.	.			trans	-115.7	162.6	163.7	-71.8	-173.1	174.6	133.7	1.7	109.1	Q279 T282 E299	Q279-R297 PolarHBondContact O-NE 3.44Å; T282-R297 HydrophobicContact CG2-CG 3.63Å; R297-E299 PolarHBondContact O-N 2.84Å
298	W	96.1	Very high	77.8	Confident	47 Å²	47	94.4 Å²	94.4	18%	0.178	53%	0.527	C	S	.	.	P	Polyproline II helix	trans	-68.9	121.1	166.4	171.4	57.8	0	0	0	109.8	V213 H215 L225 E278 Q279 P300	V213-W298 HydrophobicContact CB-CB 4.47Å; V213-W298 HydrophobicContact CG1-CB 3.81Å; H215-W298 HydrophobicContact CB-CD2 4.07Å; H215-W298 HydrophobicContact CB-CG 4.12Å; H215-W298 HydrophobicContact CB-CZ2 3.99Å; H215-W298 AromaticContact CG-CE2 3.77Å; H215-W298 AromaticContact CG-CZ2 3.79Å; H215-W298 AromaticContact ND1-CZ2 3.99Å; L225-W298 HydrophobicContact CD1-CB 4.4Å; L225-W298 HydrophobicContact CD2-CB 3.8Å; L225-W298 HydrophobicContact CD2-CD2 4.39Å; L225-W298 HydrophobicContact CD2-CG 3.95Å; E278-W298 HydrophobicContact CB-CD2 4.45Å; E278-W298 HydrophobicContact CB-CE3 3.45Å; E278-W298 VanDerWaalsContact CB-CE3 3.45Å; E278-W298 HydrophobicContact CB-CZ3 3.88Å; E278-W298 HydrophobicContact CG-CE3 3.72Å; E278-W298 HydrophobicContact CG-CZ3 3.79Å; Q279-W298 PolarHBondContact NE2-O 3.19Å; W298-P300 HydrophobicContact CE3-CG 4.35Å; W298-P300 HydrophobicContact CH2-CB 4.13Å; W298-P300 HydrophobicContact CH2-CG 3.88Å; W298-P300 HydrophobicContact CZ2-CB 3.93Å; W298-P300 HydrophobicContact CZ2-CG 4.04Å; W298-P300 HydrophobicContact CZ3-CG 4.03Å
299	E	90	Very high	76.2	Confident	163 Å²	163	96.5 Å²	96.5	76%	0.762	55%	0.545	S	S	*	.	P	Polyproline II helix	trans	-98.1	119	167.9	-69.7	-177.5	174.7	0	0	108.2	R297 S301	R297-E299 PolarHBondContact O-N 2.84Å; E299-S301 PolarHBondContact O-N 2.76Å
300	P	82.1	Confident	74.9	Confident	81 Å²	81	97.6 Å²	97.6	53%	0.526	56%	0.556	S	S	.	*	P	Polyproline II helix	trans	-56.7	119.4	170.2	-17.2	28	0	0	0	107	W298 S302	W298-P300 HydrophobicContact CE3-CG 4.35Å; W298-P300 HydrophobicContact CH2-CB 4.13Å; W298-P300 HydrophobicContact CH2-CG 3.88Å; W298-P300 HydrophobicContact CZ2-CB 3.93Å; W298-P300 HydrophobicContact CZ2-CG 4.04Å; W298-P300 HydrophobicContact CZ3-CG 4.03Å; P300-S302 PolarHBondContact O-N 2.71Å
301	S	62.6	Low	73.9	Confident	102 Å²	102	100.7 Å²	100.7	71%	0.713	57%	0.572	S	S	*	*			trans	-50	115.4	179	44	0	0	0	0	108.2	E299 Q303	E299-S301 PolarHBondContact O-N 2.76Å; S301-Q303 PolarHBondContact O-N 3.12Å
302	S	47.3	Very low	73	Confident	114 Å²	114	98.7 Å²	98.7	80%	0.797	56%	0.557	S	S	*	*			trans	-67	80.6	160.9	52.6	0	0	0	0	105.5	P300 S304	P300-S302 PolarHBondContact O-N 2.71Å; S302-S304 PolarHBondContact O-N 3.17Å
303	Q	44.8	Very low	72.2	Confident	168 Å²	168	93.4 Å²	93.4	79%	0.785	54%	0.544	S	S	*	.			trans	-55.5	94	144.7	-82.1	-171.8	-11.8	0	0	103.3	S301 T305	S301-Q303 PolarHBondContact O-N 3.12Å; Q303-T305 PolarHBondContact O-N 2.83Å; Q303-T305 PolarHBondContact O-OG1 3.2Å
304	S	41.7	Very low	71.5	Confident	92 Å²	92	92 Å²	92	64%	0.643	54%	0.541	S	S	*	.			trans	-50.4	101.9	164.6	176.6	0	0	0	0	103.4	S302 V306	S302-S304 PolarHBondContact O-N 3.17Å; S304-V306 PolarHBondContact O-N 3.46Å; S304-V306 WeakPolarHBondContact OG-CG2 3.4Å
305	T	47.5	Very low	70.9	Confident	129 Å²	129	94.3 Å²	94.3	79%	0.791	55%	0.554	S	S	*	*			trans	-66.3	69.5	160.7	-32.4	0	0	0	0	104.1	Q303 P307	Q303-T305 PolarHBondContact O-N 2.83Å; Q303-T305 PolarHBondContact O-OG1 3.2Å; T305-P307 WeakPolarHBondContact O-CD 3.38Å
306	V	51.9	Low	70.3	Confident	73 Å²	73	92.9 Å²	92.9	44%	0.442	55%	0.55	S	S	.	*			trans	-45	119.1	152.5	178.4	0	0	0	0	102.2	S304 I308 I311	S304-V306 PolarHBondContact O-N 3.46Å; S304-V306 WeakPolarHBondContact OG-CG2 3.4Å; V306-I308 WeakPolarHBondContact O-CG1 3.44Å; V306-I308 PolarHBondContact O-N 2.85Å; V306-I311 HydrophobicContact CG1-CD1 3.93Å
307	P	55	Low	69.7	Low	84 Å²	84	96 Å²	96	55%	0.545	57%	0.571	S	S	.	*			trans	-72.1	81.2	-171.6	28.3	-32.9	0	0	0	106.5	T305 V309 G310 I311	T305-P307 WeakPolarHBondContact O-CD 3.38Å; P307-V309 PolarHBondContact O-N 3.01Å; P307-G310 WeakPolarHBondContact O-CA 3.18Å; P307-G310 PolarHBondContact O-N 2.88Å; P307-I311 PolarHBondContact O-N 3.38Å
308	I	59.7	Low	69.2	Low	123 Å²	123	94.5 Å²	94.5	63%	0.631	57%	0.572	S	S	*	*	H	α-helix	trans	-55.6	-35.4	176.6	-67.4	165.8	0	0	0	107.5	V306 G310 I311 V312	V306-I308 WeakPolarHBondContact O-CG1 3.44Å; V306-I308 PolarHBondContact O-N 2.85Å; I308-G310 PolarHBondContact O-N 3.12Å; I308-I311 PolarHBondContact O-N 3.07Å; I308-V312 HydrophobicContact CG2-CG2 4.23Å; I308-V312 WeakPolarHBondContact O-CB 3.43Å; I308-V312 WeakPolarHBondContact O-CG2 3.47Å; I308-V312 PolarHBondContact O-N 3.36Å
309	V	60.1	Low	68.7	Low	123 Å²	123	94.6 Å²	94.6	75%	0.745	58%	0.583	S	S	*	*	H	α-helix	trans	-59.8	-42	171.5	-175.2	0	0	0	0	112.4	P307 A313	P307-V309 PolarHBondContact O-N 3.01Å; V309-A313 WeakPolarHBondContact O-CB 3.48Å; V309-A313 PolarHBondContact O-N 2.95Å
310	G	66.9	Low	68.6	Low	42 Å²	42	91.7 Å²	91.7	43%	0.433	58%	0.577	S	S	.	*	H	α-helix	trans	-68.5	-38.8	178.1	0	0	0	0	0	113.1	P307 I308 G314	P307-G310 WeakPolarHBondContact O-CA 3.18Å; P307-G310 PolarHBondContact O-N 2.88Å; I308-G310 PolarHBondContact O-N 3.12Å; G310-G314 PolarHBondContact O-N 2.81Å
311	I	73.2	Confident	68.8	Low	93 Å²	93	92.2 Å²	92.2	48%	0.477	58%	0.578	S	S	.	*	H	α-helix	trans	-69.3	-44	176.3	-62.4	173.2	0	0	0	110.6	V306 P307 I308 G314 L315	V306-I311 HydrophobicContact CG1-CD1 3.93Å; P307-I311 PolarHBondContact O-N 3.38Å; I308-I311 PolarHBondContact O-N 3.07Å; I311-G314 PolarHBondContact O-N 2.83Å; I311-L315 HydrophobicContact CG2-CD1 4Å; I311-L315 WeakPolarHBondContact O-CB 3.4Å; I311-L315 WeakPolarHBondContact O-CG 3.41Å; I311-L315 PolarHBondContact O-N 3.47Å
312	V	75.8	Confident	69.9	Low	88 Å²	88	91.2 Å²	91.2	53%	0.533	57%	0.567	S	S	.	*	H	α-helix	trans	-65.6	-43.3	178.2	172.4	0	0	0	0	111.1	I308 L315 A316	I308-V312 HydrophobicContact CG2-CG2 4.23Å; I308-V312 WeakPolarHBondContact O-CB 3.43Å; I308-V312 WeakPolarHBondContact O-CG2 3.47Å; I308-V312 PolarHBondContact O-N 3.36Å; V312-L315 PolarHBondContact O-N 3Å; V312-A316 WeakPolarHBondContact O-CB 3.48Å; V312-A316 PolarHBondContact O-N 3.02Å
313	A	76.4	Confident	71.6	Confident	52 Å²	52	91 Å²	91	43%	0.43	56%	0.556	S	S	.	*	H	α-helix	trans	-62.7	-43.2	174.6	0	0	0	0	0	111.7	V309 L315 A316 V317	V309-A313 WeakPolarHBondContact O-CB 3.48Å; V309-A313 PolarHBondContact O-N 2.95Å; A313-L315 PolarHBondContact O-N 3.27Å; A313-A316 PolarHBondContact O-N 3.4Å; A313-V317 VanDerWaalsContact O-CG2 3.32Å; A313-V317 WeakPolarHBondContact O-CG2 3.44Å; A313-V317 PolarHBondContact O-N 2.87Å
314	G	81.4	Confident	73.5	Confident	38 Å²	38	84.9 Å²	84.9	39%	0.392	54%	0.538	S	S	.	.	H	α-helix	trans	-60.5	-44.9	176.2	0	0	0	0	0	112.9	G310 I311 V317 L318	G310-G314 PolarHBondContact O-N 2.81Å; I311-G314 PolarHBondContact O-N 2.83Å; G314-V317 PolarHBondContact O-N 2.65Å; G314-L318 WeakPolarHBondContact O-CB 3.49Å; G314-L318 PolarHBondContact O-N 3Å
315	L	85.6	Confident	75.4	Confident	111 Å²	111	83.4 Å²	83.4	58%	0.581	53%	0.531	S	S	*	.	H	α-helix	trans	-66.6	-38.8	177.2	-73.7	170.8	0	0	0	112.6	I311 V312 A313 L318 A319	I311-L315 HydrophobicContact CG2-CD1 4Å; I311-L315 WeakPolarHBondContact O-CB 3.4Å; I311-L315 WeakPolarHBondContact O-CG 3.41Å; I311-L315 PolarHBondContact O-N 3.47Å; V312-L315 PolarHBondContact O-N 3Å; A313-L315 PolarHBondContact O-N 3.27Å; L315-L318 PolarHBondContact O-N 2.88Å; L315-A319 WeakPolarHBondContact O-CB 3.24Å; L315-A319 PolarHBondContact O-N 3.22Å
316	A	84	Confident	77.1	Confident	56 Å²	56	81.2 Å²	81.2	46%	0.463	52%	0.518	S	S	.	.	H	α-helix	trans	-63.9	-43.5	176.4	0	0	0	0	0	111.7	V312 A313 A319 V320	V312-A316 WeakPolarHBondContact O-CB 3.48Å; V312-A316 PolarHBondContact O-N 3.02Å; A313-A316 PolarHBondContact O-N 3.4Å; A316-A319 PolarHBondContact O-N 2.73Å; A316-V320 WeakPolarHBondContact O-CG2 3.46Å; A316-V320 PolarHBondContact O-N 2.92Å
317	V	85.5	Confident	78.5	Confident	95 Å²	95	81.3 Å²	81.3	58%	0.576	52%	0.519	S	S	*	.	H	α-helix	trans	-62.7	-45.1	175.8	173.1	0	0	0	0	110.8	A313 G314 A319 V320 V321	A313-V317 VanDerWaalsContact O-CG2 3.32Å; A313-V317 WeakPolarHBondContact O-CG2 3.44Å; A313-V317 PolarHBondContact O-N 2.87Å; G314-V317 PolarHBondContact O-N 2.65Å; V317-A319 VanDerWaalsContact C-N 3.34Å; V317-A319 PolarHBondContact O-N 3.5Å; V317-V320 PolarHBondContact O-N 3.09Å; V317-V321 HydrophobicContact CG1-CG2 4.46Å; V317-V321 WeakPolarHBondContact O-CG2 3.42Å; V317-V321 PolarHBondContact O-N 2.89Å
318	L	86.5	Confident	79.6	Confident	110 Å²	110	79.9 Å²	79.9	58%	0.576	51%	0.513	S	S	*	.	H	α-helix	trans	-58.9	-44	176.2	-110.1	152.6	0	0	0	112.1	G314 L315 V320 V321 V322	G314-L318 WeakPolarHBondContact O-CB 3.49Å; G314-L318 PolarHBondContact O-N 3Å; L315-L318 PolarHBondContact O-N 2.88Å; L318-V320 PolarHBondContact O-N 3.07Å; L318-V321 PolarHBondContact O-N 3.4Å; L318-V322 VanDerWaalsContact O-CG2 3.27Å; L318-V322 WeakPolarHBondContact O-CG2 3.39Å; L318-V322 PolarHBondContact O-N 3.43Å
319	A	85.3	Confident	80.4	Confident	49 Å²	49	76.7 Å²	76.7	41%	0.405	51%	0.505	S	S	.	.	H	α-helix	trans	-61.6	-43.7	177.3	0	0	0	0	0	112	L315 A316 V317 V321 V322 I323	L315-A319 WeakPolarHBondContact O-CB 3.24Å; L315-A319 PolarHBondContact O-N 3.22Å; A316-A319 PolarHBondContact O-N 2.73Å; V317-A319 VanDerWaalsContact C-N 3.34Å; V317-A319 PolarHBondContact O-N 3.5Å; A319-V321 PolarHBondContact O-N 2.83Å; A319-V322 PolarHBondContact O-N 3.3Å; A319-I323 WeakPolarHBondContact O-CB 3.37Å; A319-I323 WeakPolarHBondContact O-CD1 3.4Å; A319-I323 VanDerWaalsContact O-CG1 3.22Å; A319-I323 WeakPolarHBondContact O-CG1 3.49Å; A319-I323 PolarHBondContact O-N 3.09Å
320	V	86.8	Confident	81.1	Confident	103 Å²	103	74.7 Å²	74.7	62%	0.624	49%	0.493	S	S	*	.	H	α-helix	trans	-63.1	-42.8	177	173.2	0	0	0	0	111.4	A316 V317 L318 I323 G324	A316-V320 WeakPolarHBondContact O-CG2 3.46Å; A316-V320 PolarHBondContact O-N 2.92Å; V317-V320 PolarHBondContact O-N 3.09Å; L318-V320 PolarHBondContact O-N 3.07Å; V320-I323 PolarHBondContact O-N 3.34Å; V320-G324 PolarHBondContact O-N 3.27Å
321	V	87.6	Confident	81.4	Confident	92 Å²	92	78.7 Å²	78.7	56%	0.558	50%	0.502	S	S	*	.	H	α-helix	trans	-62.9	-44.3	177.6	172.1	0	0	0	0	111.2	V317 L318 A319 G324 A325	V317-V321 HydrophobicContact CG1-CG2 4.46Å; V317-V321 WeakPolarHBondContact O-CG2 3.42Å; V317-V321 PolarHBondContact O-N 2.89Å; L318-V321 PolarHBondContact O-N 3.4Å; A319-V321 PolarHBondContact O-N 2.83Å; V321-G324 PolarHBondContact O-N 3.35Å; V321-A325 WeakPolarHBondContact O-CB 3.39Å; V321-A325 PolarHBondContact O-N 3.01Å
322	V	85.3	Confident	81.1	Confident	80 Å²	80	78.6 Å²	78.6	49%	0.485	51%	0.509	S	S	.	.	H	α-helix	trans	-64.7	-45.2	178.8	172.7	0	0	0	0	110.9	L318 A319 G324 A325 V326	L318-V322 VanDerWaalsContact O-CG2 3.27Å; L318-V322 WeakPolarHBondContact O-CG2 3.39Å; L318-V322 PolarHBondContact O-N 3.43Å; A319-V322 PolarHBondContact O-N 3.3Å; V322-G324 VanDerWaalsContact C-N 3.34Å; V322-G324 PolarHBondContact O-N 3.28Å; V322-A325 PolarHBondContact O-N 2.96Å; V322-V326 HydrophobicContact CG1-CG2 4.45Å; V322-V326 VanDerWaalsContact O-CG2 3.29Å; V322-V326 WeakPolarHBondContact O-CG2 3.48Å; V322-V326 PolarHBondContact O-N 2.98Å
323	I	83.9	Confident	80.5	Confident	110 Å²	110	84 Å²	84	56%	0.564	52%	0.52	S	S	*	.	H	α-helix	trans	-61.3	-45.1	176.5	-67.1	164.9	0	0	0	110.3	A319 V320 A325 V326 V327	A319-I323 WeakPolarHBondContact O-CB 3.37Å; A319-I323 WeakPolarHBondContact O-CD1 3.4Å; A319-I323 VanDerWaalsContact O-CG1 3.22Å; A319-I323 WeakPolarHBondContact O-CG1 3.49Å; A319-I323 PolarHBondContact O-N 3.09Å; V320-I323 PolarHBondContact O-N 3.34Å; I323-A325 PolarHBondContact O-N 3.4Å; I323-V326 PolarHBondContact O-N 2.97Å; I323-V327 HydrophobicContact CG2-CG2 4.37Å; I323-V327 VanDerWaalsContact O-CG2 3.31Å; I323-V327 WeakPolarHBondContact O-CG2 3.37Å; I323-V327 PolarHBondContact O-N 3.28Å
324	G	84	Confident	79.7	Confident	40 Å²	40	90.9 Å²	90.9	41%	0.412	54%	0.535	S	S	.	.	H	α-helix	trans	-58.9	-44.5	176.2	0	0	0	0	0	112.8	V320 V321 V322 V327 A328	V320-G324 PolarHBondContact O-N 3.27Å; V321-G324 PolarHBondContact O-N 3.35Å; V322-G324 VanDerWaalsContact C-N 3.34Å; V322-G324 PolarHBondContact O-N 3.28Å; G324-V327 PolarHBondContact O-N 3.27Å; G324-A328 WeakPolarHBondContact O-CB 3.33Å; G324-A328 PolarHBondContact O-N 3.45Å
325	A	82.2	Confident	78.4	Confident	60 Å²	60	98.3 Å²	98.3	50%	0.496	56%	0.556	S	S	.	*	H	α-helix	trans	-64.6	-40.9	177.2	0	0	0	0	0	112.4	V321 V322 I323 A328 A329	V321-A325 WeakPolarHBondContact O-CB 3.39Å; V321-A325 PolarHBondContact O-N 3.01Å; V322-A325 PolarHBondContact O-N 2.96Å; I323-A325 PolarHBondContact O-N 3.4Å; A325-A328 PolarHBondContact O-N 2.84Å; A325-A329 WeakPolarHBondContact O-CB 3.23Å; A325-A329 PolarHBondContact O-N 2.84Å
326	V	83.2	Confident	76.9	Confident	83 Å²	83	97.7 Å²	97.7	50%	0.503	56%	0.561	S	S	.	*	H	α-helix	trans	-64.7	-45.6	176.2	171.9	0	0	0	0	110.8	V322 I323 A328 A329 V330	V322-V326 HydrophobicContact CG1-CG2 4.45Å; V322-V326 VanDerWaalsContact O-CG2 3.29Å; V322-V326 WeakPolarHBondContact O-CG2 3.48Å; V322-V326 PolarHBondContact O-N 2.98Å; I323-V326 PolarHBondContact O-N 2.97Å; V326-A328 PolarHBondContact O-N 3.07Å; V326-A329 PolarHBondContact O-N 2.99Å; V326-V330 HydrophobicContact CG1-CG2 4.38Å; V326-V330 WeakPolarHBondContact O-CB 3.3Å; V326-V330 VanDerWaalsContact O-CG2 3.28Å; V326-V330 WeakPolarHBondContact O-CG2 3.48Å; V326-V330 PolarHBondContact O-N 3.35Å
327	V	81	Confident	75.3	Confident	76 Å²	76	99.6 Å²	99.6	46%	0.461	57%	0.571	S	S	.	*	H	α-helix	trans	-61.6	-45.2	177.2	172.5	0	0	0	0	110.8	I323 G324 A329 V330 M331	I323-V327 HydrophobicContact CG2-CG2 4.37Å; I323-V327 VanDerWaalsContact O-CG2 3.31Å; I323-V327 WeakPolarHBondContact O-CG2 3.37Å; I323-V327 PolarHBondContact O-N 3.28Å; G324-V327 PolarHBondContact O-N 3.27Å; V327-A329 PolarHBondContact O-N 3.2Å; V327-V330 PolarHBondContact O-N 3.06Å; V327-M331 HydrophobicContact CG1-CG 4.45Å; V327-M331 HydrophobicContact CG1-SD 4.18Å; V327-M331 WeakPolarHBondContact O-CB 3.47Å; V327-M331 WeakPolarHBondContact O-CG 3.48Å; V327-M331 PolarHBondContact O-N 2.82Å
328	A	76.8	Confident	73.5	Confident	53 Å²	53	98.7 Å²	98.7	44%	0.438	58%	0.581	S	S	.	*	H	α-helix	trans	-60.9	-43.7	176.2	0	0	0	0	0	112.1	G324 A325 V326 M331 C332	G324-A328 WeakPolarHBondContact O-CB 3.33Å; G324-A328 PolarHBondContact O-N 3.45Å; A325-A328 PolarHBondContact O-N 2.84Å; V326-A328 PolarHBondContact O-N 3.07Å; A328-M331 PolarHBondContact O-N 3.01Å; A328-C332 WeakPolarHBondContact O-CB 3.42Å; A328-C332 PolarHBondContact O-N 3.29Å; A328-C332 PolarHBondContact O-SG 2.88Å
329	A	76.4	Confident	71.7	Confident	56 Å²	56	96.9 Å²	96.9	46%	0.463	59%	0.588	S	S	.	*	H	α-helix	trans	-64	-40.7	176.7	0	0	0	0	0	112.5	A325 V326 V327 C332 R333	A325-A329 WeakPolarHBondContact O-CB 3.23Å; A325-A329 PolarHBondContact O-N 2.84Å; V326-A329 PolarHBondContact O-N 2.99Å; V327-A329 PolarHBondContact O-N 3.2Å; A329-C332 PolarHBondContact O-N 3.48Å; A329-R333 WeakPolarHBondContact O-CB 3.36Å; A329-R333 PolarHBondContact O-N 2.97Å
330	V	74.8	Confident	69.5	Low	81 Å²	81	104.9 Å²	104.9	49%	0.491	61%	0.614	S	S	.	*	H	α-helix	trans	-66.7	-40.8	176	170.8	0	0	0	0	111.1	V326 V327 R333 R334	V326-V330 HydrophobicContact CG1-CG2 4.38Å; V326-V330 WeakPolarHBondContact O-CB 3.3Å; V326-V330 VanDerWaalsContact O-CG2 3.28Å; V326-V330 WeakPolarHBondContact O-CG2 3.48Å; V326-V330 PolarHBondContact O-N 3.35Å; V327-V330 PolarHBondContact O-N 3.06Å; V330-R333 PolarHBondContact O-N 2.62Å; V330-R334 PolarHBondContact O-N 3.36Å
331	M	73.3	Confident	67.3	Low	127 Å²	127	103.9 Å²	103.9	63%	0.626	62%	0.624	S	S	*	*	H	α-helix	trans	-65.6	-42.1	175.3	-73.4	-174.6	70.4	0	0	112.1	V327 A328 R333 R334 K335	V327-M331 HydrophobicContact CG1-CG 4.45Å; V327-M331 HydrophobicContact CG1-SD 4.18Å; V327-M331 WeakPolarHBondContact O-CB 3.47Å; V327-M331 WeakPolarHBondContact O-CG 3.48Å; V327-M331 PolarHBondContact O-N 2.82Å; A328-M331 PolarHBondContact O-N 3.01Å; M331-R333 VanDerWaalsContact C-N 3.34Å; M331-R333 PolarHBondContact O-N 3.15Å; M331-R334 PolarHBondContact O-N 2.99Å; M331-K335 PolarHBondContact O-N 3.26Å
332	C	67.5	Low	64.8	Low	91 Å²	91	103.4 Å²	103.4	62%	0.615	64%	0.639	S	S	*	*	H	α-helix	trans	-61.6	-40.5	173.1	-77.3	0	0	0	0	111.9	A328 A329 K335 S336	A328-C332 WeakPolarHBondContact O-CB 3.42Å; A328-C332 PolarHBondContact O-N 3.29Å; A328-C332 PolarHBondContact O-SG 2.88Å; A329-C332 PolarHBondContact O-N 3.48Å; C332-K335 PolarHBondContact O-N 3.24Å; C332-S336 PolarHBondContact O-N 3.13Å; C332-S336 PolarHBondContact O-OG 2.9Å
333	R	63.5	Low	62.7	Low	202 Å²	202	105 Å²	105	76%	0.762	65%	0.653	S	S	*	*	H	α-helix	trans	-68.5	-34.8	174.5	-84	-174.1	162.2	176	-3.4	113.6	A329 V330 M331 S336 S337	A329-R333 WeakPolarHBondContact O-CB 3.36Å; A329-R333 PolarHBondContact O-N 2.97Å; V330-R333 PolarHBondContact O-N 2.62Å; M331-R333 VanDerWaalsContact C-N 3.34Å; M331-R333 PolarHBondContact O-N 3.15Å; R333-S336 PolarHBondContact O-OG 2.84Å; R333-S336 VanDerWaalsContact O-OG 3.09Å; R333-S337 PolarHBondContact O-N 3.14Å
334	R	58.3	Low	60.6	Low	196 Å²	196	110.4 Å²	110.4	74%	0.74	67%	0.668	S	S	*	*	H	α-helix	trans	-66.7	-39.6	173.7	-101	-176	166.7	179.7	-3	111.5	V330 M331 S336 S337	V330-R334 PolarHBondContact O-N 3.36Å; M331-R334 PolarHBondContact O-N 2.99Å; R334-S336 VanDerWaalsContact C-N 3.32Å; R334-S336 PolarHBondContact O-N 2.78Å; R334-S337 PolarHBondContact O-N 3.03Å; R334-S337 PolarHBondContact O-OG 2.85Å; R334-S337 VanDerWaalsContact O-OG 3.05Å
335	K	55.3	Low	58.6	Low	194 Å²	194	112.9 Å²	112.9	84%	0.843	68%	0.679	S	S	*	*	H	α-helix	trans	-69.4	-25.2	179.6	-156.5	172.4	-177.6	179.7	0	113.3	M331 C332	M331-K335 PolarHBondContact O-N 3.26Å; C332-K335 PolarHBondContact O-N 3.24Å
336	S	54	Low	56.5	Low	98 Å²	98	119.5 Å²	119.5	69%	0.685	70%	0.7	S	S	*	*	H	α-helix	trans	-86.1	-7.8	173.6	57.5	0	0	0	0	114.9	C332 R333 R334	C332-S336 PolarHBondContact O-N 3.13Å; C332-S336 PolarHBondContact O-OG 2.9Å; R333-S336 PolarHBondContact O-OG 2.84Å; R333-S336 VanDerWaalsContact O-OG 3.09Å; R334-S336 VanDerWaalsContact C-N 3.32Å; R334-S336 PolarHBondContact O-N 2.78Å
337	S	50.3	Low	54.2	Low	96 Å²	96	120.2 Å²	120.2	67%	0.671	71%	0.714	S	S	*	*	S	Bend	trans	-95.6	-0.6	178.8	76.9	0	0	0	0	115.1	R333 R334	R333-S337 PolarHBondContact O-N 3.14Å; R334-S337 PolarHBondContact O-N 3.03Å; R334-S337 PolarHBondContact O-OG 2.85Å; R334-S337 VanDerWaalsContact O-OG 3.05Å
338	G	47.8	Very low	52.2	Low	76 Å²	76	124.9 Å²	124.9	78%	0.784	76%	0.76	S	S	*	*	S	Bend	trans	-92.9	21.7	-174.1	0	0	0	0	0	116.9
339	G	48.3	Very low	51	Low	71 Å²	71	128.5 Å²	128.5	73%	0.732	78%	0.777	S	S	*	*			trans	-147	76.8	-175.2	0	0	0	0	0	115
340	K	39.9	Very low	49.6	Very low	218 Å²	218	132.3 Å²	132.3	95%	0.948	79%	0.793	S	S	*	*			trans	-127.6	92.2	155.1	-103.1	-178.7	176.7	175.2	0	108.3
341	G	39.3	Very low	48.3	Very low	81 Å²	81	135.1 Å²	135.1	84%	0.835	81%	0.81	S	S	*	*	P	Polyproline II helix	trans	-75.3	137.1	166	0	0	0	0	0	110.1
342	G	36.8	Very low	46.8	Very low	83 Å²	83	135.6 Å²	135.6	86%	0.856	82%	0.821	S	S	*	*	P	Polyproline II helix	trans	-68.4	156.9	-173	0	0	0	0	0	114.9
343	S	40.3	Very low	45.5	Very low	112 Å²	112	138.4 Å²	138.4	78%	0.783	83%	0.834	S	S	*	*	P	Polyproline II helix	trans	-90.5	137	171.7	171.2	0	0	0	0	110.3
344	Y	40.6	Very low	44.3	Very low	224 Å²	224	134.1 Å²	134.1	88%	0.878	84%	0.838	S	S	*	*			trans	-136.2	110.2	152.5	-97.7	-79.9	0	0	0	110
345	S	41.4	Very low	43.3	Very low	93 Å²	93	129.7 Å²	129.7	65%	0.65	85%	0.845	S	S	*	*			trans	34.5	121.4	136.6	57.9	0	0	0	0	122.7
346	Q	37.2	Very low	42.4	Very low	199 Å²	199	124.8 Å²	124.8	93%	0.93	85%	0.846	S	S	*	*				-141.6	144.4	123.4	-91.6	-178	-19	0	0	105.3
347	A	36.4	Very low	41.4	Very low	97 Å²	97	127 Å²	127	80%	0.802	86%	0.859	S	S	*	*			cis	-162.4	-179.2	47.2	0	0	0	0	0	111.3
348	A	38.5	Very low	40.6	Very low	174 Å²	174	129.8 Å²	129.8	100%	1.438	88%	0.876	S	S	*	*			trans	-50.5	0	169.1	0	0	0	0	0	115

Retrieved 348 of 348 residues in 259.9 ms (Link to these results)

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