A0A077ZH38_TRITR Loading...

DUF940 domain containing protein

AlphaFold DB , UniProt , Accession A0A077ZH38, Species TRITR (Trichuris trichiura, Whipworm), Gene n/a, Length 683 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	37.7	Very low	46.9	Very low	235 Å²	235	117.1 Å²	117.1	100%	1.158	67%	0.674	S	S	*	*				0	104.7	0	-73	176.1	-168.1	0	0	107.4	C3	M1-C3 PolarHBondContact O-N 3.09Å
2	A	38.7	Very low	48.7	Very low	90 Å²	90	116.6 Å²	116.6	74%	0.744	67%	0.665	S	S	*	*			trans	-76.5	101.7	167.9	0	0	0	0	0	106.6	Y4	A2-Y4 PolarHBondContact O-N 3.03Å
3	C	41.7	Very low	51.3	Low	121 Å²	121	109 Å²	109	82%	0.818	63%	0.628	S	S	*	*			trans	-66.6	90.3	164.3	-68.7	0	0	0	0	106.6	M1 G5	M1-C3 PolarHBondContact O-N 3.09Å; C3-G5 VanDerWaalsContact C-N 3.33Å; C3-G5 PolarHBondContact O-N 3.47Å
4	Y	45.1	Very low	54.2	Low	197 Å²	197	102.9 Å²	102.9	77%	0.773	59%	0.594	S	S	*	*			trans	-60.6	107.7	156.3	-85.7	-87	0	0	0	105.3	A2 E6	A2-Y4 PolarHBondContact O-N 3.03Å; Y4-E6 PolarHBondContact O-N 3.23Å; Y4-E6 VanDerWaalsContact O-N 3.09Å
5	G	41.8	Very low	56.8	Low	57 Å²	57	96.3 Å²	96.3	59%	0.588	56%	0.557	S	S	*	*			trans	-57.2	115.7	161.4	0	0	0	0	0	106	C3 T7	C3-G5 VanDerWaalsContact C-N 3.33Å; C3-G5 PolarHBondContact O-N 3.47Å; G5-T7 VanDerWaalsContact C-N 3.29Å; G5-T7 PolarHBondContact O-N 3.48Å
6	E	42.5	Very low	59.3	Low	167 Å²	167	90.4 Å²	90.4	78%	0.78	52%	0.522	S	S	*	.			trans	-56.3	100.5	168.8	-76.7	-177	161.5	0	0	106.7	Y4 Y8	Y4-E6 PolarHBondContact O-N 3.23Å; Y4-E6 VanDerWaalsContact O-N 3.09Å; E6-Y8 PolarHBondContact O-N 3.47Å
7	T	46.3	Very low	61.5	Low	120 Å²	120	85.1 Å²	85.1	74%	0.736	49%	0.492	S	S	*	.	S	Bend	trans	-75.7	-9.1	-178.3	38.3	0	0	0	0	111.8	G5	G5-T7 VanDerWaalsContact C-N 3.29Å; G5-T7 PolarHBondContact O-N 3.48Å
8	Y	48.9	Very low	63.4	Low	101 Å²	101	80.4 Å²	80.4	40%	0.396	47%	0.465	S	S	.	.	S	Bend	trans	-129.9	128.8	174.9	-58.2	-82.4	0	0	0	107.8	E6 A10	E6-Y8 PolarHBondContact O-N 3.47Å; Y8-A10 PolarHBondContact O-N 2.94Å
9	P	52.6	Low	65.1	Low	78 Å²	78	76.3 Å²	76.3	51%	0.506	44%	0.44	S	S	.	.	P	Polyproline II helix	trans	-55.9	131.4	167.8	-7.5	17.3	0	0	0	108
10	A	58.7	Low	66.7	Low	68 Å²	68	72.6 Å²	72.6	56%	0.562	42%	0.42	S	S	*	.	P	Polyproline II helix	trans	-55.5	138.8	170	0	0	0	0	0	108.8	Y8	Y8-A10 PolarHBondContact O-N 2.94Å
11	P	62.5	Low	68.2	Low	54 Å²	54	69.3 Å²	69.3	35%	0.351	40%	0.401	S	S	.	.	P	Polyproline II helix	trans	-54.5	151.3	171	21.4	-30.1	0	0	0	109.5	G13	P11-G13 PolarHBondContact O-N 3.26Å
12	I	67.6	Low	71	Confident	111 Å²	111	58.2 Å²	58.2	57%	0.569	35%	0.347	S	S	*	.	S	Bend	trans	-70.7	34.9	-179.2	-44.8	173.1	0	0	0	111.1	D236	I12-D236 WeakPolarHBondContact CD1-OD1 3.47Å
13	G	83.4	Confident	73.8	Confident	18 Å²	18	53.9 Å²	53.9	19%	0.186	31%	0.311	C	S	.	.	S	Bend	trans	120.6	165.2	178.3	0	0	0	0	0	114.5	P11 R202	P11-G13 PolarHBondContact O-N 3.26Å; G13-R202 PolarHBondContact O-NH1 3.5Å
14	P	90.9	Very high	76.5	Confident	24 Å²	24	48.2 Å²	48.2	16%	0.156	27%	0.273	C	S	.	.	P	Polyproline II helix	trans	-65.3	152.6	177.4	28.6	-35.5	0	0	0	112.4	V22 R31 A33 R257	P14-V22 HydrophobicContact CB-CB 4.33Å; P14-V22 HydrophobicContact CB-CG1 3.53Å; P14-V22 HydrophobicContact CB-CG2 3.81Å; P14-V22 HydrophobicContact CG-CB 4.38Å; P14-V22 HydrophobicContact CG-CG1 4Å; P14-V22 HydrophobicContact CG-CG2 3.43Å; P14-V22 VanDerWaalsContact CG-CG2 3.43Å; P14-R31 HydrophobicContact CB-CB 4.1Å; P14-A33 HydrophobicContact CG-CB 4.13Å; P14-R257 PolarHBondContact O-NH1 3.15Å; P14-R257 PolarHBondContact O-NH2 3.07Å
15	S	93.7	Very high	79	Confident	4 Å²	4	39 Å²	39	3%	0.028	24%	0.237	C	C	.	.	P	Polyproline II helix	trans	-79	160.3	174.7	59.3	0	0	0	0	112.2	V22 G23 E193 K204	S15-V22 WeakPolarHBondContact O-CA 3.44Å; S15-G23 PolarHBondContact O-N 3.46Å; S15-G23 VanDerWaalsContact O-N 3.1Å; S15-G23 PolarHBondContact OG-O 3.1Å; S15-G23 VanDerWaalsContact OG-O 3.09Å; S15-E193 VanDerWaalsContact CB-OE2 3.29Å; S15-E193 WeakPolarHBondContact CB-OE2 3.28Å; S15-E193 PolarHBondContact OG-OE2 2.93Å; S15-K204 WeakPolarHBondContact OG-CE 3.4Å; S15-K204 PolarHBondContact OG-NZ 3.25Å
16	Q	96.1	Very high	81.6	Confident	2 Å²	2	36.4 Å²	36.4	1%	0.009	21%	0.21	C	C	.	.	B	Isolated β-bridge	trans	-98.8	142.5	179.6	-67.2	-70.8	-52.3	0	0	110.8	G21 S39 N41 R43 T255	Q16-G21 WeakPolarHBondContact CA-O 3.41Å; Q16-G21 PolarHBondContact OE1-O 2.83Å; Q16-S39 PolarHBondContact OE1-OG 2.98Å; Q16-S39 VanDerWaalsContact OE1-OG 3.09Å; Q16-N41 WeakPolarHBondContact CB-OD1 3.31Å; Q16-N41 VanDerWaalsContact CG-OD1 3.32Å; Q16-N41 WeakPolarHBondContact CG-OD1 3.41Å; Q16-N41 PolarHBondContact OE1-ND2 2.94Å; Q16-R43 PolarHBondContact O-NH2 3.24Å; Q16-T255 HydrophobicContact CB-CG2 4.4Å; Q16-T255 HydrophobicContact CG-CG2 3.88Å
17	S	97.1	Very high	84.2	Confident	0 Å²	0	28.5 Å²	28.5	0%	0	17%	0.173	C	C	.	.	P	Polyproline II helix	trans	-77.3	170.5	175	95.8	0	0	0	0	111.7	F19 G20 G21 L25	S17-F19 PolarHBondContact O-N 3.29Å; S17-F19 PolarHBondContact OG-N 3.03Å; S17-G20 PolarHBondContact O-N 2.71Å; S17-G20 PolarHBondContact OG-O 3.13Å; S17-G21 PolarHBondContact N-O 3.45Å; S17-L25 CarbonylContact C-O 3.42Å; S17-L25 WeakPolarHBondContact CA-O 3.4Å; S17-L25 VanDerWaalsContact CB-O 3.26Å; S17-L25 WeakPolarHBondContact CB-O 3.43Å
18	D	96.6	Very high	86.7	Confident	1 Å²	1	22.8 Å²	22.8	1%	0.005	14%	0.138	C	C	.	.	T	Hydrogen-bonded Turn	trans	-70.6	-25.2	-179.1	-57.8	-35.7	0	0	0	112.6	G20 L25 Q26 R43 Y50 M251	D18-G20 PolarHBondContact O-N 3.41Å; D18-L25 PolarHBondContact N-O 3.11Å; D18-L25 VanDerWaalsContact OD2-CA 3.3Å; D18-L25 WeakPolarHBondContact OD2-CA 3.43Å; D18-L25 WeakPolarHBondContact OD2-CB 3.48Å; D18-Q26 PolarHBondContact OD2-N 3.12Å; D18-Q26 PolarHBondContact OD2-NE2 2.74Å; D18-R43 HydrophobicContact CB-CG 4.22Å; D18-R43 VanDerWaalsContact OD1-CD 3.3Å; D18-R43 WeakPolarHBondContact OD1-CD 3.15Å; D18-R43 IonicContact OD1-NE 2.7Å; D18-R43 PolarHBondContact OD1-NE 3.25Å; D18-Y50 WeakPolarHBondContact O-CB 3.37Å; D18-M251 HydrophobicContact CB-CE 4.32Å; D18-M251 HydrophobicContact CB-SD 3.83Å
19	F	95.8	Very high	89.1	Confident	1 Å²	1	18.4 Å²	18.4	0%	0.004	12%	0.122	C	C	.	.	T	Hydrogen-bonded Turn	trans	-82	-0.8	172.9	-74.7	-72.4	0	0	0	112.9	S17 Y50 R66 R113 F121 Y145	S17-F19 PolarHBondContact O-N 3.29Å; S17-F19 PolarHBondContact OG-N 3.03Å; F19-Y50 HydrophobicContact CD1-CD1 4.39Å; F19-Y50 HydrophobicContact CD1-CE1 4.05Å; F19-Y50 AromaticContact CE1-CE1 3.74Å; F19-Y50 HydrophobicContact CE1-CE1 3.74Å; F19-R66 WeakPolarHBondContact O-CD 3.22Å; F19-R66 PolarHBondContact O-NH1 2.89Å; F19-R113 VanDerWaalsContact CD2-NH1 3.29Å; F19-F121 HydrophobicContact CE1-CB 4.18Å; F19-F121 AromaticContact CE1-CD1 3.56Å; F19-F121 HydrophobicContact CE1-CD1 3.56Å; F19-F121 HydrophobicContact CE1-CD2 4.49Å; F19-F121 HydrophobicContact CE1-CE1 4.01Å; F19-F121 AromaticContact CE1-CG 3.82Å; F19-F121 HydrophobicContact CE1-CG 3.82Å; F19-F121 AromaticContact CZ-CD1 3.81Å; F19-F121 HydrophobicContact CZ-CD1 3.81Å; F19-F121 HydrophobicContact CZ-CE1 4.25Å; F19-F121 HydrophobicContact CZ-CG 4.44Å; F19-Y145 HydrophobicContact CE2-CE1 4.4Å; F19-Y145 HydrophobicContact CZ-CD1 4.32Å; F19-Y145 AromaticContact CZ-CE1 3.86Å; F19-Y145 HydrophobicContact CZ-CE1 3.86Å
20	G	96.7	Very high	91.2	Very high	3 Å²	3	14.7 Å²	14.7	3%	0.031	10%	0.097	C	C	.	.	S	Bend	trans	76.7	176.9	-161.8	0	0	0	0	0	112.4	S17 D18 S52	S17-G20 PolarHBondContact O-N 2.71Å; S17-G20 PolarHBondContact OG-O 3.13Å; D18-G20 PolarHBondContact O-N 3.41Å; G20-S52 WeakPolarHBondContact CA-OG 3.36Å
21	G	97.2	Very high	93.1	Very high	3 Å²	3	13.2 Å²	13.2	3%	0.031	8%	0.077	C	C	.	.	S	Bend	trans	68.3	161.6	-170.8	0	0	0	0	0	112	Q16 S17 G23 S54 T64	Q16-G21 WeakPolarHBondContact CA-O 3.41Å; Q16-G21 PolarHBondContact OE1-O 2.83Å; S17-G21 PolarHBondContact N-O 3.45Å; G21-G23 PolarHBondContact O-N 3.44Å; G21-S54 WeakPolarHBondContact CA-OG 3.24Å; G21-S54 PolarHBondContact N-OG 2.82Å; G21-T64 WeakPolarHBondContact CA-OG1 3.48Å; G21-T64 PolarHBondContact N-OG1 3.04Å
22	V	97.7	Very high	94.7	Very high	2 Å²	2	11.6 Å²	11.6	1%	0.012	7%	0.065	C	C	.	.	B	Isolated β-bridge	trans	-62.3	128	-179.9	165.3	0	0	0	0	111.1	P14 S15 T29 R31 A33 E62 K95	P14-V22 HydrophobicContact CB-CB 4.33Å; P14-V22 HydrophobicContact CB-CG1 3.53Å; P14-V22 HydrophobicContact CB-CG2 3.81Å; P14-V22 HydrophobicContact CG-CB 4.38Å; P14-V22 HydrophobicContact CG-CG1 4Å; P14-V22 HydrophobicContact CG-CG2 3.43Å; P14-V22 VanDerWaalsContact CG-CG2 3.43Å; S15-V22 WeakPolarHBondContact O-CA 3.44Å; V22-T29 WeakPolarHBondContact CG1-OG1 3.27Å; V22-T29 PolarHBondContact O-N 3.48Å; V22-R31 HydrophobicContact CG1-CB 3.62Å; V22-R31 WeakPolarHBondContact CG1-O 3.33Å; V22-A33 HydrophobicContact CG2-CB 4.26Å; V22-E62 WeakPolarHBondContact CB-OE2 3.37Å; V22-E62 VanDerWaalsContact CG2-OE2 3.26Å; V22-E62 WeakPolarHBondContact CG2-OE2 3.46Å; V22-E62 PolarHBondContact N-OE1 2.79Å; V22-E62 VanDerWaalsContact N-OE1 3.16Å; V22-E62 PolarHBondContact N-OE2 2.86Å; V22-K95 PolarHBondContact O-NZ 2.91Å
23	G	97.7	Very high	96.1	Very high	0 Å²	0	6.8 Å²	6.8	0%	0	4%	0.042	C	C	.	.	B	Isolated β-bridge	trans	-179.1	-177	-177.2	0	0	0	0	0	114.4	S15 G21 T27 K204	S15-G23 PolarHBondContact O-N 3.46Å; S15-G23 VanDerWaalsContact O-N 3.1Å; S15-G23 PolarHBondContact OG-O 3.1Å; S15-G23 VanDerWaalsContact OG-O 3.09Å; G21-G23 PolarHBondContact O-N 3.44Å; G23-T27 WeakPolarHBondContact CA-O 3.3Å; G23-K204 PolarHBondContact O-NZ 3.05Å
24	L	97.2	Very high	96.7	Very high	2 Å²	2	13.1 Å²	13.1	1%	0.01	6%	0.061	C	C	.	.	S	Bend	trans	-81.2	-109.9	172.5	-66.2	177.5	0	0	0	109.3	T27 T29 E193 K204 E206	L24-T27 PolarHBondContact N-O 3.34Å; L24-T29 HydrophobicContact CD2-CG2 4.19Å; L24-T29 HydrophobicContact CG-CG2 3.83Å; L24-E193 HydrophobicContact CD2-CB 4.13Å; L24-K204 HydrophobicContact CD2-CD 4.35Å; L24-K204 HydrophobicContact CD2-CG 4.28Å; L24-K204 PolarHBondContact O-NZ 2.88Å; L24-E206 HydrophobicContact CB-CB 4.36Å; L24-E206 HydrophobicContact CB-CG 4.47Å; L24-E206 VanDerWaalsContact CB-OE2 3.25Å; L24-E206 WeakPolarHBondContact CB-OE2 3.31Å; L24-E206 HydrophobicContact CD1-CB 4.18Å; L24-E206 HydrophobicContact CD1-CG 4.35Å
25	L	97.5	Very high	96.9	Very high	4 Å²	4	14.9 Å²	14.9	2%	0.021	7%	0.066	C	C	.	.	S	Bend	trans	-104.7	-88.8	176.8	-56.7	172.2	0	0	0	107	S17 D18 T27 K204 E206 N227 E245	S17-L25 CarbonylContact C-O 3.42Å; S17-L25 WeakPolarHBondContact CA-O 3.4Å; S17-L25 VanDerWaalsContact CB-O 3.26Å; S17-L25 WeakPolarHBondContact CB-O 3.43Å; D18-L25 PolarHBondContact N-O 3.11Å; D18-L25 VanDerWaalsContact OD2-CA 3.3Å; D18-L25 WeakPolarHBondContact OD2-CA 3.43Å; D18-L25 WeakPolarHBondContact OD2-CB 3.48Å; L25-T27 VanDerWaalsContact C-N 3.34Å; L25-K204 HydrophobicContact CD2-CD 3.91Å; L25-K204 HydrophobicContact CG-CD 4.3Å; L25-E206 WeakPolarHBondContact CA-OE2 3.45Å; L25-E206 PolarHBondContact N-OE2 2.58Å; L25-N227 HydrophobicContact CD1-CB 3.64Å; L25-E245 HydrophobicContact CD1-CG 4.44Å
26	Q	97	Very high	97.1	Very high	2 Å²	2	14.7 Å²	14.7	1%	0.009	7%	0.065	C	C	.	.	S	Bend	trans	-77.3	-22.7	176.5	-62.7	-65.8	-31.7	0	0	112.2	D18 R113 E206 E208 E245	D18-Q26 PolarHBondContact OD2-N 3.12Å; D18-Q26 PolarHBondContact OD2-NE2 2.74Å; Q26-R113 PolarHBondContact O-NH1 2.94Å; Q26-R113 PolarHBondContact O-NH2 3.49Å; Q26-E206 WeakPolarHBondContact CB-OE1 3.37Å; Q26-E206 PolarHBondContact N-OE1 2.89Å; Q26-E206 PolarHBondContact N-OE2 3.33Å; Q26-E208 HydrophobicContact CB-CG 4.03Å; Q26-E245 PolarHBondContact NE2-OE2 2.82Å
27	T	98.1	Very high	97.1	Very high	0 Å²	0	15.3 Å²	15.3	0%	0	7%	0.068	C	C	.	.	S	Bend	trans	-104	145.4	-170.2	67.3	0	0	0	0	113.6	G23 L24 L25 L146 F189 E206 E208	G23-T27 WeakPolarHBondContact CA-O 3.3Å; L24-T27 PolarHBondContact N-O 3.34Å; L25-T27 VanDerWaalsContact C-N 3.34Å; T27-L146 HydrophobicContact CG2-CD2 4.45Å; T27-F189 HydrophobicContact CG2-CB 3.87Å; T27-F189 HydrophobicContact CG2-CD2 3.78Å; T27-F189 HydrophobicContact CG2-CG 4.01Å; T27-E206 WeakPolarHBondContact CB-OE2 3.49Å; T27-E206 HydrophobicContact CG2-CG 3.89Å; T27-E206 PolarHBondContact N-OE2 3.37Å; T27-E206 PolarHBondContact OG1-OE2 2.7Å; T27-E208 HydrophobicContact CG2-CG 4.16Å
28	P	97.9	Very high	97.1	Very high	1 Å²	1	16.9 Å²	16.9	1%	0.006	8%	0.076	C	C	.	.	B	Isolated β-bridge	trans	-76.4	159.1	174.2	32.6	-33.7	0	0	0	111.4	Y125 L146 F189	P28-Y125 HydrophobicContact CB-CD2 4.16Å; P28-Y125 HydrophobicContact CB-CE1 4.15Å; P28-Y125 HydrophobicContact CB-CE2 3.63Å; P28-Y125 HydrophobicContact CG-CD1 3.79Å; P28-Y125 HydrophobicContact CG-CD2 3.51Å; P28-Y125 HydrophobicContact CG-CE1 3.81Å; P28-Y125 HydrophobicContact CG-CE2 3.51Å; P28-Y125 HydrophobicContact CG-CG 3.64Å; P28-L146 HydrophobicContact CG-CD1 4.24Å; P28-F189 HydrophobicContact CG-CE2 4.05Å; P28-F189 HydrophobicContact CG-CZ 3.87Å
29	T	98.2	Very high	97.2	Very high	9 Å²	9	16.9 Å²	16.9	6%	0.055	8%	0.076	C	C	.	.			trans	-113.1	170	163.7	70.8	0	0	0	0	110.5	V22 L24 R31 K95 T138	V22-T29 WeakPolarHBondContact CG1-OG1 3.27Å; V22-T29 PolarHBondContact O-N 3.48Å; L24-T29 HydrophobicContact CD2-CG2 4.19Å; L24-T29 HydrophobicContact CG-CG2 3.83Å; T29-R31 PolarHBondContact O-N 3.47Å; T29-R31 PolarHBondContact OG1-N 3.28Å; T29-K95 WeakPolarHBondContact O-CE 3.49Å; T29-K95 PolarHBondContact O-NZ 3.17Å; T29-T138 HydrophobicContact CG2-CG2 4.01Å; T29-T138 WeakPolarHBondContact CG2-OG1 3.42Å
30	A	98.3	Very high	97.3	Very high	0 Å²	0	20.7 Å²	20.7	0%	0	10%	0.097	C	C	.	.	S	Bend	trans	-76.7	-9.5	174.9	0	0	0	0	0	112.8	Q107 A109 V127 S129	A30-Q107 HydrophobicContact CB-CB 4.37Å; A30-Q107 HydrophobicContact CB-CG 4.09Å; A30-Q107 WeakPolarHBondContact CB-O 3.34Å; A30-Q107 WeakPolarHBondContact O-CG 3.38Å; A30-Q107 PolarHBondContact O-NE2 2.72Å; A30-A109 HydrophobicContact CB-CB 4.22Å; A30-V127 HydrophobicContact CB-CG1 4.05Å; A30-V127 WeakPolarHBondContact CB-O 3.45Å; A30-S129 WeakPolarHBondContact CB-OG 3.26Å; A30-S129 PolarHBondContact N-OG 3.3Å
31	R	97.6	Very high	97.3	Very high	36 Å²	36	20.9 Å²	20.9	14%	0.136	10%	0.097	C	C	.	.			trans	-65.5	150.3	-176.7	-61	-62	-179	-169.3	-4.1	111.6	P14 V22 T29 E101 D136	P14-R31 HydrophobicContact CB-CB 4.1Å; V22-R31 HydrophobicContact CG1-CB 3.62Å; V22-R31 WeakPolarHBondContact CG1-O 3.33Å; T29-R31 PolarHBondContact O-N 3.47Å; T29-R31 PolarHBondContact OG1-N 3.28Å; R31-E101 IonicContact CZ-OE2 3.12Å; R31-E101 IonicContact NH1-OE2 2.75Å; R31-E101 PolarHBondContact NH1-OE2 3.06Å; R31-E101 IonicContact NH2-OE2 2.86Å; R31-E101 PolarHBondContact NH2-OE2 3.33Å; R31-D136 WeakPolarHBondContact CG-OD2 3.47Å; R31-D136 IonicContact CZ-OD1 3.1Å; R31-D136 IonicContact CZ-OD2 2.65Å; R31-D136 IonicContact NE-OD1 3.93Å; R31-D136 PolarHBondContact NE-OD1 3.14Å; R31-D136 IonicContact NE-OD2 2.79Å; R31-D136 PolarHBondContact NE-OD2 3.43Å; R31-D136 IonicContact NH2-OD1 3.91Å; R31-D136 PolarHBondContact NH2-OD1 2.68Å; R31-D136 IonicContact NH2-OD2 3.7Å
32	M	97.4	Very high	97.4	Very high	21 Å²	21	24 Å²	24	10%	0.103	11%	0.108	C	C	.	.			trans	-121.7	142.1	174.8	-67.3	-59.6	-176.2	0	0	108	Q56 E62 K95 R97 A109	M32-Q56 PolarHBondContact SD-NE2 2.89Å; M32-E62 HydrophobicContact SD-CB 3.97Å; M32-K95 HydrophobicContact CE-CB 4.25Å; M32-K95 HydrophobicContact CE-CD 3.64Å; M32-K95 HydrophobicContact CE-CG 3.68Å; M32-K95 WeakPolarHBondContact CE-O 3.36Å; M32-K95 HydrophobicContact SD-CD 4Å; M32-R97 HydrophobicContact CE-CB 3.56Å; M32-R97 HydrophobicContact CG-CB 3.99Å; M32-A109 HydrophobicContact CE-CB 4.45Å
33	A	96	Very high	97.4	Very high	10 Å²	10	24 Å²	24	8%	0.083	11%	0.108	C	C	.	.			trans	-69.9	175	168.4	0	0	0	0	0	110.4	P14 V22 E37 Q56	P14-A33 HydrophobicContact CG-CB 4.13Å; V22-A33 HydrophobicContact CG2-CB 4.26Å; A33-E37 HydrophobicContact CB-CB 3.81Å; A33-E37 VanDerWaalsContact CB-CD 3.47Å; A33-E37 HydrophobicContact CB-CG 4.07Å; A33-Q56 HydrophobicContact CB-CB 4.12Å; A33-Q56 HydrophobicContact CB-CG 4.33Å; A33-Q56 WeakPolarHBondContact O-CG 3.29Å
34	R	95.2	Very high	97.4	Very high	151 Å²	151	25.8 Å²	25.8	57%	0.57	12%	0.117	S	C	*	.			trans	-67.9	142.7	169.8	-79.8	178.2	50.9	-178.9	-14.1	109.5	G36 E37 Q56 D262	R34-G36 PolarHBondContact O-N 3.45Å; R34-E37 WeakPolarHBondContact O-CB 3.45Å; R34-E37 PolarHBondContact O-N 2.79Å; R34-Q56 VanDerWaalsContact O-CB 3.31Å; R34-Q56 WeakPolarHBondContact O-CB 3.32Å; R34-Q56 WeakPolarHBondContact O-CG 3.17Å; R34-D262 IonicContact CZ-OD2 2.91Å; R34-D262 IonicContact NH2-OD1 3.15Å; R34-D262 PolarHBondContact NH2-OD1 3.4Å; R34-D262 VanDerWaalsContact NH2-OD1 3.12Å; R34-D262 IonicContact NH2-OD2 3.87Å; R34-D262 PolarHBondContact NH2-OD2 2.85Å; R34-D262 VanDerWaalsContact NH2-OD2 3.1Å
35	E	96.6	Very high	97.4	Very high	60 Å²	60	25.9 Å²	25.9	28%	0.28	12%	0.118	S	C	.	.	T	Hydrogen-bonded Turn	trans	-50.2	135.2	172	179.3	176.9	-158.9	0	0	111.1	E37 P59 N259 N261 K601 F603	E35-E37 VanDerWaalsContact C-N 3.29Å; E35-E37 PolarHBondContact O-N 3.11Å; E35-P59 HydrophobicContact CB-CG 4.17Å; E35-P59 WeakPolarHBondContact OE2-CG 3.43Å; E35-N259 PolarHBondContact O-ND2 3.27Å; E35-N259 PolarHBondContact O-OD1 2.82Å; E35-N261 PolarHBondContact O-ND2 3.42Å; E35-K601 WeakPolarHBondContact OE1-CE 3.49Å; E35-K601 IonicContact OE1-NZ 3.78Å; E35-K601 PolarHBondContact OE1-NZ 2.6Å; E35-F603 HydrophobicContact CG-CE1 4.37Å
36	G	96.9	Very high	97.2	Very high	0 Å²	0	30.3 Å²	30.3	0%	0	14%	0.142	C	C	.	.	T	Hydrogen-bonded Turn	trans	82.3	-4.4	-175.3	0	0	0	0	0	114.8	R34 L38 Q56 N259 F260	R34-G36 PolarHBondContact O-N 3.45Å; G36-L38 PolarHBondContact O-N 2.6Å; G36-Q56 PolarHBondContact N-O 3.34Å; G36-N259 CarbonylContact O-C 3.51Å; G36-N259 WeakPolarHBondContact O-CA 3.38Å; G36-F260 PolarHBondContact O-N 3.26Å
37	E	97.1	Very high	97.1	Very high	16 Å²	16	31 Å²	31	8%	0.075	15%	0.145	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-63.3	122.6	173.4	-172.8	169.7	136.6	0	0	110.2	A33 R34 E35 V55 Q56 R257 T258 N259	A33-E37 HydrophobicContact CB-CB 3.81Å; A33-E37 VanDerWaalsContact CB-CD 3.47Å; A33-E37 HydrophobicContact CB-CG 4.07Å; R34-E37 WeakPolarHBondContact O-CB 3.45Å; R34-E37 PolarHBondContact O-N 2.79Å; E35-E37 VanDerWaalsContact C-N 3.29Å; E35-E37 PolarHBondContact O-N 3.11Å; E37-V55 WeakPolarHBondContact O-CA 3.46Å; E37-Q56 HydrophobicContact CB-CB 4.37Å; E37-Q56 PolarHBondContact O-N 3.4Å; E37-R257 IonicContact OE1-CZ 2.98Å; E37-R257 IonicContact OE1-NH1 3.53Å; E37-R257 PolarHBondContact OE1-NH1 2.86Å; E37-T258 WeakPolarHBondContact CA-O 3.36Å; E37-N259 PolarHBondContact N-ND2 3.16Å
38	L	97	Very high	97.1	Very high	32 Å²	32	31.1 Å²	31.1	17%	0.168	15%	0.145	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-103.5	131.3	165.7	170.6	72.9	0	0	0	107.5	G36 L40 S54 V55 R257 T258 F260	G36-L38 PolarHBondContact O-N 2.6Å; L38-L40 HydrophobicContact CD1-CD2 4.14Å; L38-L40 HydrophobicContact CD2-CD2 4.44Å; L38-L40 HydrophobicContact CD2-CG 4.49Å; L38-L40 HydrophobicContact CG-CD2 4.43Å; L38-S54 CarbonylContact C-O 3.09Å; L38-S54 WeakPolarHBondContact CA-O 3.41Å; L38-V55 HydrophobicContact CD1-CG2 3.65Å; L38-R257 WeakPolarHBondContact O-CA 3.44Å; L38-T258 HydrophobicContact CB-CG2 4Å; L38-T258 HydrophobicContact CD2-CG2 4.06Å; L38-T258 HydrophobicContact CG-CG2 4.49Å; L38-T258 PolarHBondContact N-O 2.69Å; L38-T258 PolarHBondContact O-N 2.88Å; L38-F260 HydrophobicContact CB-CE1 4.01Å; L38-F260 HydrophobicContact CB-CE2 4.12Å; L38-F260 HydrophobicContact CB-CZ 3.76Å; L38-F260 HydrophobicContact CD1-CZ 4.37Å; L38-F260 HydrophobicContact CD2-CE1 3.85Å; L38-F260 HydrophobicContact CD2-CZ 3.68Å; L38-F260 HydrophobicContact CG-CZ 4.12Å
39	S	97.4	Very high	97	Very high	1 Å²	1	34.7 Å²	34.7	1%	0.007	16%	0.159	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-122.7	135.4	165.4	63.1	0	0	0	0	111.1	Q16 N41 A53 S54 L256	Q16-S39 PolarHBondContact OE1-OG 2.98Å; Q16-S39 VanDerWaalsContact OE1-OG 3.09Å; S39-N41 PolarHBondContact OG-ND2 2.93Å; S39-A53 CarbonylContact O-C 3.54Å; S39-A53 VanDerWaalsContact O-CA 3.3Å; S39-A53 WeakPolarHBondContact O-CA 3.26Å; S39-S54 PolarHBondContact N-O 3.44Å; S39-S54 PolarHBondContact O-N 2.8Å; S39-S54 WeakPolarHBondContact OG-CB 3.35Å; S39-L256 CarbonylContact C-O 3.55Å; S39-L256 VanDerWaalsContact CA-O 3.23Å; S39-L256 WeakPolarHBondContact CA-O 3.47Å
40	L	97.8	Very high	97	Very high	82 Å²	82	34.4 Å²	34.4	43%	0.429	16%	0.157	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-109.4	121.5	170.3	-56.5	178.5	0	0	0	107.6	L38 S52 A53 T255 L256	L38-L40 HydrophobicContact CD1-CD2 4.14Å; L38-L40 HydrophobicContact CD2-CD2 4.44Å; L38-L40 HydrophobicContact CD2-CG 4.49Å; L38-L40 HydrophobicContact CG-CD2 4.43Å; L40-S52 CarbonylContact C-O 3.57Å; L40-S52 WeakPolarHBondContact CA-O 3.23Å; L40-A53 HydrophobicContact CD2-CB 3.68Å; L40-T255 CarbonylContact O-C 3.49Å; L40-T255 WeakPolarHBondContact O-CA 3.47Å; L40-L256 HydrophobicContact CB-CB 4.36Å; L40-L256 PolarHBondContact N-O 2.86Å; L40-L256 PolarHBondContact O-N 3.33Å
41	N	98.2	Very high	96.9	Very high	7 Å²	7	38.4 Å²	38.4	4%	0.037	17%	0.172	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-119.1	138.3	-172.8	-47.4	-75.9	0	0	0	110.8	Q16 S39 Y51 S52 V254 T255	Q16-N41 WeakPolarHBondContact CB-OD1 3.31Å; Q16-N41 VanDerWaalsContact CG-OD1 3.32Å; Q16-N41 WeakPolarHBondContact CG-OD1 3.41Å; Q16-N41 PolarHBondContact OE1-ND2 2.94Å; S39-N41 PolarHBondContact OG-ND2 2.93Å; N41-Y51 WeakPolarHBondContact O-CA 3.16Å; N41-S52 WeakPolarHBondContact CB-OG 3.45Å; N41-S52 PolarHBondContact N-O 2.79Å; N41-S52 PolarHBondContact ND2-OG 3.22Å; N41-S52 PolarHBondContact O-N 3.03Å; N41-V254 WeakPolarHBondContact CA-O 3.35Å; N41-T255 WeakPolarHBondContact OD1-CB 3.46Å; N41-T255 WeakPolarHBondContact OD1-CG2 3.41Å; N41-T255 PolarHBondContact OD1-OG1 2.86Å
42	Y	98.1	Very high	96.8	Very high	69 Å²	69	37.1 Å²	37.1	27%	0.271	17%	0.169	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-122.4	135.7	166.2	173.4	-112.4	0	0	0	109	D44 R49 Y50 Y51 G253 V254	Y42-D44 HydrophobicContact CE1-CB 4.01Å; Y42-D44 HydrophobicContact CE2-CB 4.46Å; Y42-D44 WeakPolarHBondContact OH-CB 3.5Å; Y42-D44 PolarHBondContact OH-OD1 2.91Å; Y42-R49 HydrophobicContact CE2-CB 4.27Å; Y42-Y50 WeakPolarHBondContact CA-O 3.46Å; Y42-Y51 AromaticContact CD2-CD1 3.76Å; Y42-Y51 HydrophobicContact CD2-CD1 3.76Å; Y42-Y51 AromaticContact CD2-CE1 3.42Å; Y42-Y51 HydrophobicContact CD2-CE1 3.42Å; Y42-Y51 VanDerWaalsContact CD2-CE1 3.42Å; Y42-Y51 HydrophobicContact CE2-CD1 4.39Å; Y42-Y51 AromaticContact CE2-CE1 3.63Å; Y42-Y51 HydrophobicContact CE2-CE1 3.63Å; Y42-Y51 AromaticContact CE2-CZ 3.82Å; Y42-G253 CarbonylContact O-C 3.54Å; Y42-G253 WeakPolarHBondContact O-CA 3.44Å; Y42-V254 PolarHBondContact N-O 3.23Å; Y42-V254 PolarHBondContact O-N 2.63Å
43	R	98	Very high	96.8	Very high	1 Å²	1	37.7 Å²	37.7	0%	0.004	18%	0.177	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-139.9	137.1	176.5	-61.1	-76.8	-176.8	-79.4	-2.3	109.1	Q16 D18 R49 Y50 N241 M251 F252 V254 T255	Q16-R43 PolarHBondContact O-NH2 3.24Å; D18-R43 HydrophobicContact CB-CG 4.22Å; D18-R43 VanDerWaalsContact OD1-CD 3.3Å; D18-R43 WeakPolarHBondContact OD1-CD 3.15Å; D18-R43 IonicContact OD1-NE 2.7Å; D18-R43 PolarHBondContact OD1-NE 3.25Å; R43-R49 CarbonylContact O-C 3.52Å; R43-R49 VanDerWaalsContact O-CA 3.25Å; R43-R49 WeakPolarHBondContact O-CA 3.09Å; R43-Y50 HydrophobicContact CB-CD2 3.92Å; R43-Y50 PolarHBondContact N-O 3.46Å; R43-Y50 PolarHBondContact O-N 3.1Å; R43-N241 PolarHBondContact NH2-ND2 3.44Å; R43-M251 HydrophobicContact CB-SD 3.95Å; R43-M251 HydrophobicContact CG-SD 4.42Å; R43-F252 CarbonylContact C-O 3.58Å; R43-F252 WeakPolarHBondContact CA-O 3.41Å; R43-V254 PolarHBondContact NH1-O 3.16Å; R43-T255 PolarHBondContact NH1-OG1 2.85Å; R43-T255 PolarHBondContact NH2-OG1 2.85Å; R43-T255 VanDerWaalsContact NH2-OG1 3.1Å
44	D	97.6	Very high	96.9	Very high	37 Å²	37	37.3 Å²	37.3	20%	0.198	17%	0.174	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-137.4	127.1	-174.5	-168.9	92.6	0	0	0	110.8	Y42 R49 R71 M251 F252	Y42-D44 HydrophobicContact CE1-CB 4.01Å; Y42-D44 HydrophobicContact CE2-CB 4.46Å; Y42-D44 WeakPolarHBondContact OH-CB 3.5Å; Y42-D44 PolarHBondContact OH-OD1 2.91Å; D44-R49 VanDerWaalsContact OD1-CD 3.24Å; D44-R49 WeakPolarHBondContact OD1-CD 3.34Å; D44-R49 VanDerWaalsContact OD1-CG 3.23Å; D44-R49 WeakPolarHBondContact OD1-CG 3.44Å; D44-R49 IonicContact OD1-CZ 3.95Å; D44-R49 IonicContact OD1-NE 3.17Å; D44-R49 PolarHBondContact OD1-NE 3.5Å; D44-R71 IonicContact OD2-NH1 3.82Å; D44-M251 WeakPolarHBondContact O-CA 3.47Å; D44-M251 WeakPolarHBondContact O-CG 2.9Å; D44-F252 PolarHBondContact N-O 3.08Å; D44-F252 PolarHBondContact O-N 2.78Å; D44-F252 VanDerWaalsContact O-N 3.09Å
45	N	96.7	Very high	97	Very high	5 Å²	5	30.8 Å²	30.8	3%	0.027	15%	0.151	C	C	.	.			trans	-137.3	-175.8	164.5	71.6	24.9	0	0	0	109.7	Q47 Y48 R71 T249 M251	N45-Q47 VanDerWaalsContact C-N 3.3Å; N45-Q47 PolarHBondContact ND2-OE1 3.15Å; N45-Q47 PolarHBondContact O-N 2.98Å; N45-Q47 PolarHBondContact OD1-N 3.4Å; N45-Q47 PolarHBondContact OD1-OE1 3.46Å; N45-Y48 PolarHBondContact N-O 3.38Å; N45-Y48 PolarHBondContact OD1-N 2.9Å; N45-Y48 PolarHBondContact OD1-O 3.17Å; N45-R71 WeakPolarHBondContact O-CD 2.86Å; N45-R71 PolarHBondContact O-NH1 2.79Å; N45-T249 HydrophobicContact CB-CG2 3.9Å; N45-M251 HydrophobicContact CB-CB 4.26Å; N45-M251 HydrophobicContact CB-CE 4.2Å; N45-M251 HydrophobicContact CB-CG 4.39Å; N45-M251 WeakPolarHBondContact ND2-CE 2.91Å
46	D	94.5	Very high	97.1	Very high	97 Å²	97	28 Å²	28	52%	0.519	14%	0.137	S	C	.	.	S	Bend	trans	-68.9	-22.4	-176.5	60.5	-46.5	0	0	0	114.3
47	Q	95.6	Very high	97.1	Very high	17 Å²	17	29.3 Å²	29.3	8%	0.079	14%	0.144	C	C	.	.	S	Bend	trans	-98.2	-32	178.2	-53.5	88.8	16.6	0	0	113.7	N45 R71 A217 L220 R246	N45-Q47 VanDerWaalsContact C-N 3.3Å; N45-Q47 PolarHBondContact ND2-OE1 3.15Å; N45-Q47 PolarHBondContact O-N 2.98Å; N45-Q47 PolarHBondContact OD1-N 3.4Å; N45-Q47 PolarHBondContact OD1-OE1 3.46Å; Q47-R71 WeakPolarHBondContact O-CB 3.26Å; Q47-R71 PolarHBondContact O-N 2.96Å; Q47-A217 HydrophobicContact CB-CB 4.01Å; Q47-L220 HydrophobicContact CG-CD1 4.23Å; Q47-L220 HydrophobicContact CG-CD2 3.78Å; Q47-R246 VanDerWaalsContact CD-NH2 3.33Å
48	Y	96.7	Very high	97.1	Very high	2 Å²	2	30.3 Å²	30.3	1%	0.008	15%	0.148	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-140.5	146.1	-164.2	-68.9	-64.6	0	0	0	112.9	N45 Y50 T68 D69 V70 F121 D215 A217 L220	N45-Y48 PolarHBondContact N-O 3.38Å; N45-Y48 PolarHBondContact OD1-N 2.9Å; N45-Y48 PolarHBondContact OD1-O 3.17Å; Y48-Y50 VanDerWaalsContact CD2-OH 3.23Å; Y48-Y50 WeakPolarHBondContact CD2-OH 3.45Å; Y48-Y50 HydrophobicContact CG-CE1 4.36Å; Y48-Y50 HydrophobicContact CG-CE2 4.33Å; Y48-Y50 AromaticContact CG-CZ 3.8Å; Y48-T68 HydrophobicContact CD1-CG2 3.52Å; Y48-T68 HydrophobicContact CE1-CG2 3.99Å; Y48-T68 HydrophobicContact CG-CG2 4.36Å; Y48-D69 CarbonylContact C-O 3.2Å; Y48-D69 VanDerWaalsContact CA-O 3.26Å; Y48-D69 WeakPolarHBondContact CA-O 3.44Å; Y48-V70 HydrophobicContact CD1-CB 4.36Å; Y48-V70 HydrophobicContact CD1-CG1 4.3Å; Y48-V70 HydrophobicContact CD1-CG2 4.14Å; Y48-V70 HydrophobicContact CE1-CB 4.03Å; Y48-V70 HydrophobicContact CE1-CG1 3.68Å; Y48-V70 HydrophobicContact CE1-CG2 3.69Å; Y48-F121 HydrophobicContact CD1-CZ 4.33Å; Y48-F121 HydrophobicContact CE1-CE1 4.44Å; Y48-F121 AromaticContact CE1-CZ 3.67Å; Y48-F121 HydrophobicContact CE1-CZ 3.67Å; Y48-F121 AromaticContact CZ-CZ 3.76Å; Y48-D215 PolarHBondContact OH-OD1 3.1Å; Y48-A217 HydrophobicContact CE1-CB 4.16Å; Y48-A217 HydrophobicContact CE2-CB 3.86Å; Y48-A217 WeakPolarHBondContact OH-CB 3.33Å; Y48-A217 PolarHBondContact OH-N 3.46Å; Y48-L220 HydrophobicContact CE2-CD1 4.47Å
49	R	96.9	Very high	97	Very high	76 Å²	76	31.1 Å²	31.1	29%	0.287	16%	0.156	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-121.8	129.5	157.1	-41.8	-175.3	163.6	129.5	-10.3	109.7	Y42 R43 D44 Y51 T68 D69 R71	Y42-R49 HydrophobicContact CE2-CB 4.27Å; R43-R49 CarbonylContact O-C 3.52Å; R43-R49 VanDerWaalsContact O-CA 3.25Å; R43-R49 WeakPolarHBondContact O-CA 3.09Å; D44-R49 VanDerWaalsContact OD1-CD 3.24Å; D44-R49 WeakPolarHBondContact OD1-CD 3.34Å; D44-R49 VanDerWaalsContact OD1-CG 3.23Å; D44-R49 WeakPolarHBondContact OD1-CG 3.44Å; D44-R49 IonicContact OD1-CZ 3.95Å; D44-R49 IonicContact OD1-NE 3.17Å; D44-R49 PolarHBondContact OD1-NE 3.5Å; R49-Y51 HydrophobicContact CB-CE2 4.05Å; R49-T68 WeakPolarHBondContact O-CA 3.44Å; R49-D69 HydrophobicContact CB-CB 3.91Å; R49-D69 HydrophobicContact CG-CB 4.25Å; R49-D69 PolarHBondContact N-O 2.95Å; R49-D69 IonicContact NH1-OD2 2.68Å; R49-D69 PolarHBondContact NH1-OD2 3.46Å; R49-D69 PolarHBondContact O-N 3.46Å; R49-R71 HydrophobicContact CG-CG 4.37Å
50	Y	96.7	Very high	97	Very high	3 Å²	3	36.7 Å²	36.7	1%	0.012	18%	0.177	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-109	129	177.1	-51.8	-80.2	0	0	0	109.6	D18 F19 Y42 R43 Y48 T68 F121 M251	D18-Y50 WeakPolarHBondContact O-CB 3.37Å; F19-Y50 HydrophobicContact CD1-CD1 4.39Å; F19-Y50 HydrophobicContact CD1-CE1 4.05Å; F19-Y50 AromaticContact CE1-CE1 3.74Å; F19-Y50 HydrophobicContact CE1-CE1 3.74Å; Y42-Y50 WeakPolarHBondContact CA-O 3.46Å; R43-Y50 HydrophobicContact CB-CD2 3.92Å; R43-Y50 PolarHBondContact N-O 3.46Å; R43-Y50 PolarHBondContact O-N 3.1Å; Y48-Y50 VanDerWaalsContact CD2-OH 3.23Å; Y48-Y50 WeakPolarHBondContact CD2-OH 3.45Å; Y48-Y50 HydrophobicContact CG-CE1 4.36Å; Y48-Y50 HydrophobicContact CG-CE2 4.33Å; Y48-Y50 AromaticContact CG-CZ 3.8Å; Y50-T68 HydrophobicContact CD1-CG2 3.63Å; Y50-T68 WeakPolarHBondContact CD1-OG1 3.21Å; Y50-T68 HydrophobicContact CE1-CG2 3.41Å; Y50-T68 VanDerWaalsContact CE1-CG2 3.41Å; Y50-F121 HydrophobicContact CE1-CZ 4.39Å; Y50-M251 HydrophobicContact CE2-CE 4.37Å
51	Y	96.4	Very high	97	Very high	84 Å²	84	34 Å²	34	33%	0.329	16%	0.163	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-116.6	118.8	168.6	-53.9	-89.4	0	0	0	107.1	N41 Y42 R49 R66 Y67 F426	N41-Y51 WeakPolarHBondContact O-CA 3.16Å; Y42-Y51 AromaticContact CD2-CD1 3.76Å; Y42-Y51 HydrophobicContact CD2-CD1 3.76Å; Y42-Y51 AromaticContact CD2-CE1 3.42Å; Y42-Y51 HydrophobicContact CD2-CE1 3.42Å; Y42-Y51 VanDerWaalsContact CD2-CE1 3.42Å; Y42-Y51 HydrophobicContact CE2-CD1 4.39Å; Y42-Y51 AromaticContact CE2-CE1 3.63Å; Y42-Y51 HydrophobicContact CE2-CE1 3.63Å; Y42-Y51 AromaticContact CE2-CZ 3.82Å; R49-Y51 HydrophobicContact CB-CE2 4.05Å; Y51-R66 CarbonylContact O-C 3.53Å; Y51-R66 VanDerWaalsContact O-CA 3.29Å; Y51-R66 WeakPolarHBondContact O-CA 3.47Å; Y51-Y67 PolarHBondContact N-O 3.22Å; Y51-Y67 PolarHBondContact O-N 3.48Å; Y51-F426 HydrophobicContact CD2-CE1 4.5Å; Y51-F426 HydrophobicContact CD2-CZ 4.2Å; Y51-F426 HydrophobicContact CE2-CE1 4.37Å; Y51-F426 HydrophobicContact CE2-CZ 4.41Å
52	S	97	Very high	97	Very high	9 Å²	9	34 Å²	34	6%	0.063	16%	0.163	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-136.5	150.4	180	64.8	0	0	0	0	113.3	G20 L40 N41 L65	G20-S52 WeakPolarHBondContact CA-OG 3.36Å; L40-S52 CarbonylContact C-O 3.57Å; L40-S52 WeakPolarHBondContact CA-O 3.23Å; N41-S52 WeakPolarHBondContact CB-OG 3.45Å; N41-S52 PolarHBondContact N-O 2.79Å; N41-S52 PolarHBondContact ND2-OG 3.22Å; N41-S52 PolarHBondContact O-N 3.03Å; S52-L65 CarbonylContact C-O 3.58Å; S52-L65 WeakPolarHBondContact CA-O 3.25Å; S52-L65 VanDerWaalsContact CB-O 3.24Å; S52-L65 WeakPolarHBondContact CB-O 3.22Å
53	A	97	Very high	97	Very high	32 Å²	32	31.5 Å²	31.5	26%	0.264	15%	0.154	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-124.2	116.2	172.8	0	0	0	0	0	108.1	S39 L40 T64 L65	S39-A53 CarbonylContact O-C 3.54Å; S39-A53 VanDerWaalsContact O-CA 3.3Å; S39-A53 WeakPolarHBondContact O-CA 3.26Å; L40-A53 HydrophobicContact CD2-CB 3.68Å; A53-T64 WeakPolarHBondContact O-CA 3.42Å; A53-L65 PolarHBondContact N-O 3.01Å; A53-L65 PolarHBondContact O-N 3.48Å
54	S	97.8	Very high	97	Very high	3 Å²	3	31.7 Å²	31.7	2%	0.021	16%	0.155	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-113	131.2	179.5	-53.5	0	0	0	0	110.2	G21 L38 S39 T63 T64	G21-S54 WeakPolarHBondContact CA-OG 3.24Å; G21-S54 PolarHBondContact N-OG 2.82Å; L38-S54 CarbonylContact C-O 3.09Å; L38-S54 WeakPolarHBondContact CA-O 3.41Å; S39-S54 PolarHBondContact N-O 3.44Å; S39-S54 PolarHBondContact O-N 2.8Å; S39-S54 WeakPolarHBondContact OG-CB 3.35Å; S54-T63 CarbonylContact C-O 3.57Å; S54-T63 VanDerWaalsContact CA-O 3.31Å; S54-T63 WeakPolarHBondContact CA-O 3.28Å; S54-T64 WeakPolarHBondContact CB-OG1 3.47Å; S54-T64 WeakPolarHBondContact OG-CB 3.38Å; S54-T64 WeakPolarHBondContact OG-CG2 3.49Å; S54-T64 PolarHBondContact OG-OG1 2.82Å
55	V	97.8	Very high	96.8	Very high	14 Å²	14	31.8 Å²	31.8	9%	0.085	16%	0.156	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-121.9	125.7	177.6	-176.3	0	0	0	0	109	E37 L38 L57 T63 F260 F603	E37-V55 WeakPolarHBondContact O-CA 3.46Å; L38-V55 HydrophobicContact CD1-CG2 3.65Å; V55-L57 VanDerWaalsContact C-N 3.32Å; V55-L57 HydrophobicContact CB-CD2 4.46Å; V55-L57 HydrophobicContact CG1-CD2 3.78Å; V55-L57 HydrophobicContact CG1-CG 4.21Å; V55-L57 PolarHBondContact O-N 2.89Å; V55-L57 VanDerWaalsContact O-N 3.09Å; V55-T63 PolarHBondContact N-O 3.33Å; V55-T63 PolarHBondContact O-N 3.07Å; V55-T63 PolarHBondContact O-OG1 3.23Å; V55-F260 HydrophobicContact CG1-CE2 4.38Å; V55-F603 HydrophobicContact CG1-CZ 4.42Å
56	Q	97.8	Very high	96.7	Very high	1 Å²	1	31.6 Å²	31.6	1%	0.005	16%	0.155	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-80.1	82.6	167.6	-169.5	75.1	55.7	0	0	109.1	M32 A33 R34 G36 E37 F58 L61	M32-Q56 PolarHBondContact SD-NE2 2.89Å; A33-Q56 HydrophobicContact CB-CB 4.12Å; A33-Q56 HydrophobicContact CB-CG 4.33Å; A33-Q56 WeakPolarHBondContact O-CG 3.29Å; R34-Q56 VanDerWaalsContact O-CB 3.31Å; R34-Q56 WeakPolarHBondContact O-CB 3.32Å; R34-Q56 WeakPolarHBondContact O-CG 3.17Å; G36-Q56 PolarHBondContact N-O 3.34Å; E37-Q56 HydrophobicContact CB-CB 4.37Å; E37-Q56 PolarHBondContact O-N 3.4Å; Q56-F58 PolarHBondContact NE2-O 2.93Å; Q56-F58 PolarHBondContact O-N 2.89Å; Q56-L61 VanDerWaalsContact NE2-C 3.26Å; Q56-L61 PolarHBondContact NE2-O 3.2Å; Q56-L61 VanDerWaalsContact NE2-O 3.12Å
57	L	96.5	Very high	96.7	Very high	27 Å²	27	28.2 Å²	28.2	14%	0.141	14%	0.135	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-61.2	-45.3	-176.5	-73.5	179.5	0	0	0	112	V55 L61 T63 K601 F603 V609	V55-L57 VanDerWaalsContact C-N 3.32Å; V55-L57 HydrophobicContact CB-CD2 4.46Å; V55-L57 HydrophobicContact CG1-CD2 3.78Å; V55-L57 HydrophobicContact CG1-CG 4.21Å; V55-L57 PolarHBondContact O-N 2.89Å; V55-L57 VanDerWaalsContact O-N 3.09Å; L57-L61 HydrophobicContact CB-CD2 4.49Å; L57-L61 HydrophobicContact CD1-CD2 4.3Å; L57-L61 PolarHBondContact N-O 3.34Å; L57-L61 VanDerWaalsContact N-O 3.08Å; L57-T63 HydrophobicContact CD1-CG2 3.49Å; L57-T63 VanDerWaalsContact CD1-CG2 3.49Å; L57-T63 HydrophobicContact CG-CG2 4.14Å; L57-K601 WeakPolarHBondContact O-CD 3.31Å; L57-K601 WeakPolarHBondContact O-CE 3.47Å; L57-K601 PolarHBondContact O-NZ 3.4Å; L57-F603 HydrophobicContact CD2-CZ 4.35Å; L57-V609 HydrophobicContact CD2-CB 3.91Å; L57-V609 HydrophobicContact CD2-CG1 3.69Å
58	F	96.9	Very high	96.6	Very high	37 Å²	37	27.4 Å²	27.4	16%	0.162	13%	0.131	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-131.1	161.6	176.6	-61.7	-85.3	0	0	0	109	Q56 W60 L61 V579 K601	Q56-F58 PolarHBondContact NE2-O 2.93Å; Q56-F58 PolarHBondContact O-N 2.89Å; F58-W60 HydrophobicContact CB-CD2 4.09Å; F58-W60 HydrophobicContact CB-CG 4.33Å; F58-W60 HydrophobicContact CB-CZ2 3.99Å; F58-W60 HydrophobicContact CD1-CZ2 4.31Å; F58-W60 HydrophobicContact CD2-CH2 4.22Å; F58-W60 HydrophobicContact CD2-CZ2 4.02Å; F58-W60 HydrophobicContact CG-CH2 4.48Å; F58-W60 AromaticContact CG-CZ2 3.84Å; F58-W60 HydrophobicContact CG-CZ2 3.84Å; F58-W60 PolarHBondContact O-N 2.99Å; F58-L61 HydrophobicContact CB-CB 4.11Å; F58-L61 HydrophobicContact CD2-CB 4.07Å; F58-L61 HydrophobicContact CD2-CD2 3.94Å; F58-L61 HydrophobicContact CE2-CD2 4.36Å; F58-L61 PolarHBondContact N-O 3.07Å; F58-L61 PolarHBondContact O-N 3.28Å; F58-L61 VanDerWaalsContact O-O 3.13Å; F58-V579 HydrophobicContact CE1-CG2 3.7Å; F58-V579 HydrophobicContact CZ-CG2 3.7Å; F58-K601 HydrophobicContact CD1-CD 4.38Å; F58-K601 HydrophobicContact CE1-CD 4.04Å; F58-K601 HydrophobicContact CZ-CD 4.17Å
59	P	96.1	Very high	96.5	Very high	50 Å²	50	27.7 Å²	27.7	33%	0.325	13%	0.133	S	C	.	.	T	Hydrogen-bonded Turn	trans	-55.3	-16.3	175.9	-26.2	35.1	0	0	0	114.6	E35 R97	E35-P59 HydrophobicContact CB-CG 4.17Å; E35-P59 WeakPolarHBondContact OE2-CG 3.43Å; P59-R97 PolarHBondContact O-NE 3.38Å; P59-R97 PolarHBondContact O-NH2 3.25Å
60	W	97.3	Very high	96.5	Very high	118 Å²	118	24 Å²	24	45%	0.447	12%	0.119	S	C	.	.	T	Hydrogen-bonded Turn	trans	-118.7	-3.7	-179.2	53.2	-96.1	0	0	0	113.8	F58 L96 R97	F58-W60 HydrophobicContact CB-CD2 4.09Å; F58-W60 HydrophobicContact CB-CG 4.33Å; F58-W60 HydrophobicContact CB-CZ2 3.99Å; F58-W60 HydrophobicContact CD1-CZ2 4.31Å; F58-W60 HydrophobicContact CD2-CH2 4.22Å; F58-W60 HydrophobicContact CD2-CZ2 4.02Å; F58-W60 HydrophobicContact CG-CH2 4.48Å; F58-W60 AromaticContact CG-CZ2 3.84Å; F58-W60 HydrophobicContact CG-CZ2 3.84Å; F58-W60 PolarHBondContact O-N 2.99Å; W60-L96 CarbonylContact O-C 3.58Å; W60-L96 VanDerWaalsContact O-CA 3.31Å; W60-L96 WeakPolarHBondContact O-CA 3.5Å; W60-R97 HydrophobicContact CB-CB 4.25Å; W60-R97 PolarHBondContact O-N 2.95Å
61	L	98	Very high	96.4	Very high	25 Å²	25	28.6 Å²	28.6	13%	0.131	14%	0.136	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-128.8	116	-179.2	-179.1	67.4	0	0	0	111.5	Q56 L57 F58 T63 L94 K95 L96	Q56-L61 VanDerWaalsContact NE2-C 3.26Å; Q56-L61 PolarHBondContact NE2-O 3.2Å; Q56-L61 VanDerWaalsContact NE2-O 3.12Å; L57-L61 HydrophobicContact CB-CD2 4.49Å; L57-L61 HydrophobicContact CD1-CD2 4.3Å; L57-L61 PolarHBondContact N-O 3.34Å; L57-L61 VanDerWaalsContact N-O 3.08Å; F58-L61 HydrophobicContact CB-CB 4.11Å; F58-L61 HydrophobicContact CD2-CB 4.07Å; F58-L61 HydrophobicContact CD2-CD2 3.94Å; F58-L61 HydrophobicContact CE2-CD2 4.36Å; F58-L61 PolarHBondContact N-O 3.07Å; F58-L61 PolarHBondContact O-N 3.28Å; F58-L61 VanDerWaalsContact O-O 3.13Å; L61-T63 HydrophobicContact CD1-CG2 4.46Å; L61-T63 HydrophobicContact CD2-CG2 4.28Å; L61-T63 HydrophobicContact CG-CG2 4.1Å; L61-L94 HydrophobicContact CD1-CD2 4.32Å; L61-K95 WeakPolarHBondContact CA-O 3.29Å; L61-L96 HydrophobicContact CD1-CD1 4.27Å; L61-L96 HydrophobicContact CD1-CG 3.97Å
62	E	98.4	Very high	96.3	Very high	8 Å²	8	27.6 Å²	27.6	4%	0.037	14%	0.139	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-104.7	137.7	167.6	174.4	-177	71.5	0	0	109.3	V22 M32 K95	V22-E62 WeakPolarHBondContact CB-OE2 3.37Å; V22-E62 VanDerWaalsContact CG2-OE2 3.26Å; V22-E62 WeakPolarHBondContact CG2-OE2 3.46Å; V22-E62 PolarHBondContact N-OE1 2.79Å; V22-E62 VanDerWaalsContact N-OE1 3.16Å; V22-E62 PolarHBondContact N-OE2 2.86Å; M32-E62 HydrophobicContact SD-CB 3.97Å; E62-K95 HydrophobicContact CB-CB 4.27Å; E62-K95 PolarHBondContact N-O 2.84Å; E62-K95 PolarHBondContact O-N 3.44Å; E62-K95 WeakPolarHBondContact OE1-CE 3.25Å; E62-K95 IonicContact OE1-NZ 2.81Å; E62-K95 PolarHBondContact OE1-NZ 3.11Å
63	T	97.4	Very high	96.1	Very high	16 Å²	16	31.6 Å²	31.6	10%	0.098	15%	0.152	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-126.1	139	175.8	63.5	0	0	0	0	109.6	S54 V55 L57 L61 F92 D93 L94	S54-T63 CarbonylContact C-O 3.57Å; S54-T63 VanDerWaalsContact CA-O 3.31Å; S54-T63 WeakPolarHBondContact CA-O 3.28Å; V55-T63 PolarHBondContact N-O 3.33Å; V55-T63 PolarHBondContact O-N 3.07Å; V55-T63 PolarHBondContact O-OG1 3.23Å; L57-T63 HydrophobicContact CD1-CG2 3.49Å; L57-T63 VanDerWaalsContact CD1-CG2 3.49Å; L57-T63 HydrophobicContact CG-CG2 4.14Å; L61-T63 HydrophobicContact CD1-CG2 4.46Å; L61-T63 HydrophobicContact CD2-CG2 4.28Å; L61-T63 HydrophobicContact CG-CG2 4.1Å; T63-F92 HydrophobicContact CG2-CZ 4.14Å; T63-D93 WeakPolarHBondContact CA-O 3.3Å; T63-L94 HydrophobicContact CG2-CD2 3.57Å
64	T	97	Very high	96	Very high	4 Å²	4	36 Å²	36	3%	0.025	17%	0.168	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-130.8	130.6	178.2	-60.1	0	0	0	0	110.7	G21 A53 S54 F92 D93	G21-T64 WeakPolarHBondContact CA-OG1 3.48Å; G21-T64 PolarHBondContact N-OG1 3.04Å; A53-T64 WeakPolarHBondContact O-CA 3.42Å; S54-T64 WeakPolarHBondContact CB-OG1 3.47Å; S54-T64 WeakPolarHBondContact OG-CB 3.38Å; S54-T64 WeakPolarHBondContact OG-CG2 3.49Å; S54-T64 PolarHBondContact OG-OG1 2.82Å; T64-F92 CarbonylContact O-C 3.49Å; T64-F92 WeakPolarHBondContact O-CA 3.39Å; T64-D93 PolarHBondContact N-O 2.86Å; T64-D93 PolarHBondContact O-N 2.87Å
65	L	95	Very high	95.6	Very high	39 Å²	39	38.8 Å²	38.8	20%	0.204	18%	0.178	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-97.8	138.3	163.2	-74.2	175	0	0	0	109.4	S52 A53 F92 V632 W654	S52-L65 CarbonylContact C-O 3.58Å; S52-L65 WeakPolarHBondContact CA-O 3.25Å; S52-L65 VanDerWaalsContact CB-O 3.24Å; S52-L65 WeakPolarHBondContact CB-O 3.22Å; A53-L65 PolarHBondContact N-O 3.01Å; A53-L65 PolarHBondContact O-N 3.48Å; L65-F92 HydrophobicContact CD2-CB 4.29Å; L65-F92 HydrophobicContact CD2-CD2 3.61Å; L65-F92 HydrophobicContact CD2-CE2 4.45Å; L65-F92 HydrophobicContact CD2-CG 4.41Å; L65-F92 HydrophobicContact CG-CD2 4.17Å; L65-V632 HydrophobicContact CD1-CG2 3.56Å; L65-V632 HydrophobicContact CG-CG2 4.5Å; L65-W654 HydrophobicContact CD1-CD2 4.24Å; L65-W654 HydrophobicContact CD1-CE3 4.01Å; L65-W654 HydrophobicContact CD2-CD2 4.21Å; L65-W654 HydrophobicContact CD2-CE3 3.56Å; L65-W654 HydrophobicContact CD2-CH2 3.59Å; L65-W654 HydrophobicContact CD2-CZ2 4.26Å; L65-W654 HydrophobicContact CD2-CZ3 3.21Å; L65-W654 HydrophobicContact CG-CE3 4.47Å; L65-W654 HydrophobicContact CG-CZ3 4.5Å
66	R	94.3	Very high	95.2	Very high	2 Å²	2	39.4 Å²	39.4	1%	0.008	18%	0.183	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-138.3	139.4	178.4	177.3	177.1	59.2	-107.1	-1.3	112	F19 Y51 K90 A91 D93	F19-R66 WeakPolarHBondContact O-CD 3.22Å; F19-R66 PolarHBondContact O-NH1 2.89Å; Y51-R66 CarbonylContact O-C 3.53Å; Y51-R66 VanDerWaalsContact O-CA 3.29Å; Y51-R66 WeakPolarHBondContact O-CA 3.47Å; R66-K90 WeakPolarHBondContact O-CA 3.44Å; R66-A91 HydrophobicContact CB-CB 4.37Å; R66-A91 PolarHBondContact N-O 3Å; R66-A91 VanDerWaalsContact NH2-CB 3.31Å; R66-A91 PolarHBondContact O-N 3.18Å; R66-D93 IonicContact CZ-OD1 2.72Å; R66-D93 IonicContact CZ-OD2 3.55Å; R66-D93 IonicContact NH1-OD1 3.3Å; R66-D93 IonicContact NH1-OD2 2.79Å; R66-D93 PolarHBondContact NH1-OD2 2.87Å; R66-D93 IonicContact NH2-OD1 2.91Å; R66-D93 PolarHBondContact NH2-OD1 2.96Å; R66-D93 IonicContact NH2-OD2 2.81Å
67	Y	93.7	Very high	94.8	Very high	26 Å²	26	44.9 Å²	44.9	10%	0.102	22%	0.221	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-109	130.1	159.7	-83.4	-92.6	0	0	0	109.6	Y51 D89 K90 V420 F426 W654	Y51-Y67 PolarHBondContact N-O 3.22Å; Y51-Y67 PolarHBondContact O-N 3.48Å; Y67-D89 CarbonylContact C-O 3.59Å; Y67-D89 VanDerWaalsContact CA-O 3.31Å; Y67-D89 WeakPolarHBondContact CA-O 3.45Å; Y67-K90 HydrophobicContact CD1-CG 3.77Å; Y67-K90 HydrophobicContact CE1-CD 3.88Å; Y67-K90 VanDerWaalsContact CE1-CE 3.49Å; Y67-K90 HydrophobicContact CE1-CG 3.33Å; Y67-K90 HydrophobicContact CE2-CG 4.48Å; Y67-K90 WeakPolarHBondContact OH-CE 3.27Å; Y67-V420 HydrophobicContact CD2-CG1 4.44Å; Y67-V420 HydrophobicContact CE1-CG1 4.15Å; Y67-V420 HydrophobicContact CE2-CB 4.46Å; Y67-V420 HydrophobicContact CE2-CG1 4.09Å; Y67-V420 PolarHBondContact OH-O 2.93Å; Y67-F426 AromaticContact CD1-CE2 3.71Å; Y67-F426 HydrophobicContact CD1-CE2 3.71Å; Y67-F426 HydrophobicContact CD1-CZ 4.34Å; Y67-F426 HydrophobicContact CE1-CE2 4.29Å; Y67-F426 HydrophobicContact CG-CE2 4.06Å; Y67-F426 HydrophobicContact CG-CZ 4.25Å; Y67-W654 AromaticContact CE2-NE1 3.54Å; Y67-W654 AromaticContact CZ-NE1 3.63Å; Y67-W654 PolarHBondContact OH-NE1 3.2Å
68	T	94.6	Very high	94.4	Very high	0 Å²	0	47.2 Å²	47.2	0%	0	24%	0.237	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-113.1	118.5	176	-53.3	0	0	0	0	109.8	Y48 R49 Y50 V70 K88 D89 F121	Y48-T68 HydrophobicContact CD1-CG2 3.52Å; Y48-T68 HydrophobicContact CE1-CG2 3.99Å; Y48-T68 HydrophobicContact CG-CG2 4.36Å; R49-T68 WeakPolarHBondContact O-CA 3.44Å; Y50-T68 HydrophobicContact CD1-CG2 3.63Å; Y50-T68 WeakPolarHBondContact CD1-OG1 3.21Å; Y50-T68 HydrophobicContact CE1-CG2 3.41Å; Y50-T68 VanDerWaalsContact CE1-CG2 3.41Å; T68-V70 HydrophobicContact CG2-CG2 4.41Å; T68-K88 WeakPolarHBondContact O-CA 3.39Å; T68-D89 PolarHBondContact N-O 3.4Å; T68-D89 PolarHBondContact O-N 3.21Å; T68-F121 HydrophobicContact CG2-CE2 3.72Å; T68-F121 HydrophobicContact CG2-CZ 3.85Å
69	D	94.9	Very high	93.9	Very high	7 Å²	7	53.1 Å²	53.1	4%	0.037	27%	0.265	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-87.2	113.1	170.5	-179.6	17.9	0	0	0	110	Y48 R49 R71 T86 K88	Y48-D69 CarbonylContact C-O 3.2Å; Y48-D69 VanDerWaalsContact CA-O 3.26Å; Y48-D69 WeakPolarHBondContact CA-O 3.44Å; R49-D69 HydrophobicContact CB-CB 3.91Å; R49-D69 HydrophobicContact CG-CB 4.25Å; R49-D69 PolarHBondContact N-O 2.95Å; R49-D69 IonicContact NH1-OD2 2.68Å; R49-D69 PolarHBondContact NH1-OD2 3.46Å; R49-D69 PolarHBondContact O-N 3.46Å; D69-R71 PolarHBondContact O-N 3.07Å; D69-T86 VanDerWaalsContact OD1-CB 3.29Å; D69-T86 WeakPolarHBondContact OD1-CB 3.48Å; D69-T86 PolarHBondContact OD1-OG1 2.75Å; D69-K88 HydrophobicContact CB-CD 4.06Å; D69-K88 IonicContact OD1-NZ 3.32Å; D69-K88 PolarHBondContact OD1-NZ 3.17Å; D69-K88 IonicContact OD2-NZ 3.61Å
70	V	95.1	Very high	93.4	Very high	0 Å²	0	54.9 Å²	54.9	0%	0	28%	0.284	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-93.7	97.4	179.1	-168.1	0	0	0	0	109	Y48 T68 T72 R73 Y87 F216 A217	Y48-V70 HydrophobicContact CD1-CB 4.36Å; Y48-V70 HydrophobicContact CD1-CG1 4.3Å; Y48-V70 HydrophobicContact CD1-CG2 4.14Å; Y48-V70 HydrophobicContact CE1-CB 4.03Å; Y48-V70 HydrophobicContact CE1-CG1 3.68Å; Y48-V70 HydrophobicContact CE1-CG2 3.69Å; T68-V70 HydrophobicContact CG2-CG2 4.41Å; V70-T72 PolarHBondContact O-N 3.2Å; V70-T72 VanDerWaalsContact O-N 3.14Å; V70-R73 HydrophobicContact CB-CB 4.32Å; V70-R73 HydrophobicContact CG1-CB 4Å; V70-R73 HydrophobicContact CG1-CG 3.77Å; V70-R73 PolarHBondContact O-N 2.89Å; V70-R73 VanDerWaalsContact O-O 3.12Å; V70-Y87 HydrophobicContact CG2-CD1 3.87Å; V70-Y87 PolarHBondContact N-O 2.82Å; V70-F216 HydrophobicContact CB-CD1 4.43Å; V70-F216 HydrophobicContact CG1-CD1 3.98Å; V70-F216 HydrophobicContact CG1-CE1 4.44Å; V70-F216 HydrophobicContact CG2-CD1 4.08Å; V70-F216 HydrophobicContact CG2-CE1 4.38Å; V70-A217 HydrophobicContact CG1-CB 3.98Å
71	R	94.7	Very high	92.8	Very high	98 Å²	98	51.2 Å²	51.2	37%	0.37	27%	0.271	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-66.8	-20.7	-169.5	-60.2	177.5	62.8	177.5	-1	113.7	D44 N45 Q47 R49 D69	D44-R71 IonicContact OD2-NH1 3.82Å; N45-R71 WeakPolarHBondContact O-CD 2.86Å; N45-R71 PolarHBondContact O-NH1 2.79Å; Q47-R71 WeakPolarHBondContact O-CB 3.26Å; Q47-R71 PolarHBondContact O-N 2.96Å; R49-R71 HydrophobicContact CG-CG 4.37Å; D69-R71 PolarHBondContact O-N 3.07Å
72	T	95	Very high	92.3	Very high	63 Å²	63	50.2 Å²	50.2	39%	0.387	27%	0.266	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-96.3	4.7	-177.3	63.9	0	0	0	0	113.5	V70 A217	V70-T72 PolarHBondContact O-N 3.2Å; V70-T72 VanDerWaalsContact O-N 3.14Å; T72-A217 WeakPolarHBondContact OG1-CA 3.31Å; T72-A217 VanDerWaalsContact OG1-CB 3.32Å; T72-A217 WeakPolarHBondContact OG1-CB 3.17Å; T72-A217 PolarHBondContact OG1-O 3.37Å
73	R	93.5	Very high	91.8	Very high	93 Å²	93	51.1 Å²	51.1	35%	0.351	28%	0.277	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-131.2	134.2	-178	-64.5	-66.4	179.1	-98.9	-2.1	110.4	V70 T86 Y87 F216 A217	V70-R73 HydrophobicContact CB-CB 4.32Å; V70-R73 HydrophobicContact CG1-CB 4Å; V70-R73 HydrophobicContact CG1-CG 3.77Å; V70-R73 PolarHBondContact O-N 2.89Å; V70-R73 VanDerWaalsContact O-O 3.12Å; R73-T86 CarbonylContact O-C 3.5Å; R73-T86 VanDerWaalsContact O-CA 3.24Å; R73-T86 WeakPolarHBondContact O-CA 3.39Å; R73-Y87 PolarHBondContact O-N 3.48Å; R73-F216 HydrophobicContact CB-CE1 4.14Å; R73-F216 HydrophobicContact CG-CD1 4.13Å; R73-F216 HydrophobicContact CG-CE1 3.83Å; R73-F216 HydrophobicContact CG-CZ 4.45Å; R73-F216 VanDerWaalsContact CZ-O 3.25Å; R73-F216 PolarHBondContact NE-O 3.23Å; R73-F216 PolarHBondContact NH2-O 3.1Å; R73-A217 PolarHBondContact NH1-O 2.93Å; R73-A217 PolarHBondContact NH2-O 3.37Å
74	Q	93.3	Very high	91.5	Very high	125 Å²	125	57.4 Å²	57.4	58%	0.584	31%	0.31	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-73.4	149.1	167.4	-68.7	-179.7	-42.1	0	0	109.7	S76	Q74-S76 VanDerWaalsContact C-N 3.3Å; Q74-S76 PolarHBondContact O-N 3.16Å
75	Y	90.6	Very high	91.2	Very high	61 Å²	61	58.5 Å²	58.5	24%	0.239	32%	0.315	C	S	.	.	S	Bend	trans	-60.5	-42.7	177.2	-170.8	-71.4	0	0	0	111.4	F81 Q85 K88 P423	Y75-F81 HydrophobicContact CD1-CE1 4.26Å; Y75-F81 HydrophobicContact CE1-CE1 4.05Å; Y75-F81 HydrophobicContact CE1-CZ 4.39Å; Y75-Q85 WeakPolarHBondContact CB-O 3.44Å; Y75-Q85 HydrophobicContact CD2-CG 4.31Å; Y75-Q85 PolarHBondContact N-O 2.85Å; Y75-K88 HydrophobicContact CE2-CB 4.39Å; Y75-P423 HydrophobicContact CD1-CB 3.69Å; Y75-P423 HydrophobicContact CE1-CB 3.41Å; Y75-P423 VanDerWaalsContact CE1-CB 3.41Å; Y75-P423 HydrophobicContact CE1-CG 4.22Å; Y75-P423 HydrophobicContact CE2-CB 4.38Å; Y75-P423 HydrophobicContact CG-CB 4.35Å
76	S	89.5	Confident	91.2	Very high	27 Å²	27	58.4 Å²	58.4	19%	0.189	32%	0.316	C	S	.	.			trans	-141.3	155.4	173.7	-175.3	0	0	0	0	110.3	Q74 V78 S82	Q74-S76 VanDerWaalsContact C-N 3.3Å; Q74-S76 PolarHBondContact O-N 3.16Å; S76-V78 PolarHBondContact O-N 3.16Å; S76-V78 PolarHBondContact OG-N 3.43Å; S76-V78 VanDerWaalsContact OG-N 3.15Å; S76-S82 WeakPolarHBondContact CB-OG 3.29Å; S76-S82 PolarHBondContact N-OG 3.31Å
77	S	89.2	Confident	91.1	Very high	116 Å²	116	60.6 Å²	60.6	81%	0.811	33%	0.325	S	S	*	.	S	Bend	trans	-73.4	-5.9	167.7	60.9	0	0	0	0	113
78	V	88.3	Confident	91	Very high	77 Å²	77	60.1 Å²	60.1	47%	0.467	32%	0.323	S	S	.	.			trans	-99.6	99.5	-179.1	-176.2	0	0	0	0	109.2	S76 A80 F81 S82	S76-V78 PolarHBondContact O-N 3.16Å; S76-V78 PolarHBondContact OG-N 3.43Å; S76-V78 VanDerWaalsContact OG-N 3.15Å; V78-A80 HydrophobicContact CG1-CB 4.36Å; V78-A80 PolarHBondContact O-N 2.83Å; V78-F81 HydrophobicContact CB-CB 4.03Å; V78-F81 HydrophobicContact CG1-CB 3.98Å; V78-F81 WeakPolarHBondContact O-CB 3.26Å; V78-F81 PolarHBondContact O-N 3.45Å; V78-S82 PolarHBondContact O-N 2.86Å; V78-S82 VanDerWaalsContact O-N 3.17Å
79	E	86.6	Confident	90.7	Very high	160 Å²	160	60.1 Å²	60.1	75%	0.748	32%	0.323	S	S	*	.	H	α-helix	trans	-56.7	-37.7	-179.4	-173.9	178.4	-177	0	0	112.5	F81 G83	E79-F81 PolarHBondContact O-N 3.37Å; E79-F81 VanDerWaalsContact O-N 3.14Å; E79-G83 VanDerWaalsContact O-CA 3.26Å; E79-G83 WeakPolarHBondContact O-CA 3.38Å; E79-G83 PolarHBondContact O-N 3.13Å
80	A	85.3	Confident	90.5	Very high	88 Å²	88	62.1 Å²	62.1	73%	0.727	33%	0.332	S	S	*	.	H	α-helix	trans	-64.7	-16.6	176.6	0	0	0	0	0	114	V78 N463	V78-A80 HydrophobicContact CG1-CB 4.36Å; V78-A80 PolarHBondContact O-N 2.83Å; A80-N463 PolarHBondContact O-ND2 2.99Å
81	F	84	Confident	90.3	Very high	41 Å²	41	62.2 Å²	62.2	18%	0.18	33%	0.332	C	S	.	.	H	α-helix	trans	-95.6	-50.5	178	173.7	-130.7	0	0	0	111.5	Y75 V78 E79 P423 N463 Y464	Y75-F81 HydrophobicContact CD1-CE1 4.26Å; Y75-F81 HydrophobicContact CE1-CE1 4.05Å; Y75-F81 HydrophobicContact CE1-CZ 4.39Å; V78-F81 HydrophobicContact CB-CB 4.03Å; V78-F81 HydrophobicContact CG1-CB 3.98Å; V78-F81 WeakPolarHBondContact O-CB 3.26Å; V78-F81 PolarHBondContact O-N 3.45Å; E79-F81 PolarHBondContact O-N 3.37Å; E79-F81 VanDerWaalsContact O-N 3.14Å; F81-P423 HydrophobicContact CD1-CB 4.35Å; F81-P423 HydrophobicContact CD2-CB 4.21Å; F81-P423 HydrophobicContact CD2-CG 4.33Å; F81-P423 HydrophobicContact CE1-CB 3.8Å; F81-P423 HydrophobicContact CE1-CG 4.27Å; F81-P423 HydrophobicContact CE2-CB 3.63Å; F81-P423 HydrophobicContact CE2-CG 3.41Å; F81-P423 VanDerWaalsContact CE2-CG 3.41Å; F81-P423 HydrophobicContact CZ-CB 3.43Å; F81-P423 VanDerWaalsContact CZ-CB 3.43Å; F81-P423 HydrophobicContact CZ-CG 3.4Å; F81-P423 VanDerWaalsContact CZ-CG 3.4Å; F81-N463 PolarHBondContact O-ND2 2.84Å; F81-N463 PolarHBondContact O-OD1 2.97Å; F81-Y464 AromaticContact CD2-CD2 3.39Å; F81-Y464 HydrophobicContact CD2-CD2 3.39Å; F81-Y464 AromaticContact CD2-CE2 3.97Å; F81-Y464 HydrophobicContact CD2-CE2 3.97Å; F81-Y464 HydrophobicContact CD2-CG 4.15Å; F81-Y464 AromaticContact CE2-CD2 3.1Å; F81-Y464 HydrophobicContact CE2-CD2 3.1Å; F81-Y464 AromaticContact CE2-CE2 3.53Å; F81-Y464 HydrophobicContact CE2-CE2 3.53Å; F81-Y464 AromaticContact CE2-CG 3.6Å; F81-Y464 HydrophobicContact CE2-CG 3.6Å; F81-Y464 HydrophobicContact CG-CD2 4.49Å; F81-Y464 HydrophobicContact CZ-CD2 4.03Å; F81-Y464 HydrophobicContact CZ-CE2 4.01Å
82	S	88.4	Confident	90.2	Very high	4 Å²	4	60 Å²	60	3%	0.028	33%	0.325	C	S	.	.	H	α-helix	trans	-118.6	-3.2	-173.1	63.4	0	0	0	0	115.9	S76 V78 D84 Q85 P423	S76-S82 WeakPolarHBondContact CB-OG 3.29Å; S76-S82 PolarHBondContact N-OG 3.31Å; V78-S82 PolarHBondContact O-N 2.86Å; V78-S82 VanDerWaalsContact O-N 3.17Å; S82-D84 PolarHBondContact O-N 3.42Å; S82-Q85 WeakPolarHBondContact O-CB 3.34Å; S82-Q85 PolarHBondContact O-N 2.82Å; S82-P423 WeakPolarHBondContact CA-O 3.31Å; S82-P423 WeakPolarHBondContact CB-O 3.46Å
83	G	88.5	Confident	90.2	Very high	26 Å²	26	57.3 Å²	57.3	27%	0.268	31%	0.309	S	S	.	.	T	Hydrogen-bonded Turn	trans	53.7	-132.7	-172.8	0	0	0	0	0	112	E79 Q85	E79-G83 VanDerWaalsContact O-CA 3.26Å; E79-G83 WeakPolarHBondContact O-CA 3.38Å; E79-G83 PolarHBondContact O-N 3.13Å; G83-Q85 VanDerWaalsContact C-N 3.35Å
84	D	90	Very high	90.3	Very high	149 Å²	149	55.1 Å²	55.1	80%	0.797	30%	0.304	S	S	*	.	T	Hydrogen-bonded Turn	trans	-90.8	9.8	176.7	67.5	-19.5	0	0	0	113.9	S82 T86	S82-D84 PolarHBondContact O-N 3.42Å; D84-T86 PolarHBondContact O-N 3.37Å
85	Q	91.6	Very high	90.6	Very high	27 Å²	27	49.3 Å²	49.3	13%	0.126	28%	0.277	C	S	.	.	P	Polyproline II helix	trans	-58.5	133.5	180	-176.3	58.6	-111	0	0	111.2	Y75 S82 G83 P423	Y75-Q85 WeakPolarHBondContact CB-O 3.44Å; Y75-Q85 HydrophobicContact CD2-CG 4.31Å; Y75-Q85 PolarHBondContact N-O 2.85Å; S82-Q85 WeakPolarHBondContact O-CB 3.34Å; S82-Q85 PolarHBondContact O-N 2.82Å; G83-Q85 VanDerWaalsContact C-N 3.35Å; Q85-P423 WeakPolarHBondContact CB-O 3.39Å; Q85-P423 WeakPolarHBondContact CG-O 3.24Å
86	T	93.5	Very high	91	Very high	36 Å²	36	49.6 Å²	49.6	22%	0.221	28%	0.282	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-78.1	152.2	173.8	48.8	0	0	0	0	111.3	D69 R73 D84 K88	D69-T86 VanDerWaalsContact OD1-CB 3.29Å; D69-T86 WeakPolarHBondContact OD1-CB 3.48Å; D69-T86 PolarHBondContact OD1-OG1 2.75Å; R73-T86 CarbonylContact O-C 3.5Å; R73-T86 VanDerWaalsContact O-CA 3.24Å; R73-T86 WeakPolarHBondContact O-CA 3.39Å; D84-T86 PolarHBondContact O-N 3.37Å; T86-K88 PolarHBondContact O-NZ 2.99Å; T86-K88 PolarHBondContact OG1-NZ 2.82Å
87	Y	92.5	Very high	91.4	Very high	49 Å²	49	50.6 Å²	50.6	19%	0.192	28%	0.282	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-60.9	142	-178.4	-172.9	-87.4	0	0	0	111.9	V70 R73 D89 L120 F216	V70-Y87 HydrophobicContact CG2-CD1 3.87Å; V70-Y87 PolarHBondContact N-O 2.82Å; R73-Y87 PolarHBondContact O-N 3.48Å; Y87-D89 HydrophobicContact CE1-CB 4.02Å; Y87-L120 HydrophobicContact CD1-CD1 4.49Å; Y87-L120 HydrophobicContact CE1-CD1 3.88Å; Y87-F216 HydrophobicContact CD1-CD1 4.43Å; Y87-F216 AromaticContact CD1-CE1 3.61Å; Y87-F216 HydrophobicContact CD1-CE1 3.61Å; Y87-F216 HydrophobicContact CD1-CZ 4.28Å; Y87-F216 HydrophobicContact CD2-CE1 4.26Å; Y87-F216 HydrophobicContact CD2-CZ 4.28Å; Y87-F216 AromaticContact CE1-CE1 3.87Å; Y87-F216 HydrophobicContact CE1-CE1 3.87Å; Y87-F216 HydrophobicContact CE1-CZ 4.24Å; Y87-F216 HydrophobicContact CE2-CE1 4.49Å; Y87-F216 HydrophobicContact CE2-CZ 4.24Å; Y87-F216 AromaticContact CG-CE1 3.82Å; Y87-F216 HydrophobicContact CG-CE1 3.82Å; Y87-F216 HydrophobicContact CG-CZ 4.29Å
88	K	91.3	Very high	91.8	Very high	15 Å²	15	49.3 Å²	49.3	7%	0.065	27%	0.265	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-125.4	115.6	-179.7	-61.4	-66	178.3	-70.4	0	110	T68 D69 Y75 T86 F426	T68-K88 WeakPolarHBondContact O-CA 3.39Å; D69-K88 HydrophobicContact CB-CD 4.06Å; D69-K88 IonicContact OD1-NZ 3.32Å; D69-K88 PolarHBondContact OD1-NZ 3.17Å; D69-K88 IonicContact OD2-NZ 3.61Å; Y75-K88 HydrophobicContact CE2-CB 4.39Å; T86-K88 PolarHBondContact O-NZ 2.99Å; T86-K88 PolarHBondContact OG1-NZ 2.82Å; K88-F426 HydrophobicContact CD-CD2 3.45Å; K88-F426 VanDerWaalsContact CD-CD2 3.45Å; K88-F426 HydrophobicContact CD-CE2 3.79Å; K88-F426 HydrophobicContact CD-CG 4.29Å; K88-F426 VanDerWaalsContact CE-CD2 3.41Å; K88-F426 HydrophobicContact CG-CD2 3.77Å; K88-F426 HydrophobicContact CG-CE2 4.32Å
89	D	90.1	Very high	92.3	Very high	0 Å²	0	51.2 Å²	51.2	0%	0	26%	0.264	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-97.9	149.9	172.1	-176	42.3	0	0	0	111.1	Y67 T68 Y87 T118 L120	Y67-D89 CarbonylContact C-O 3.59Å; Y67-D89 VanDerWaalsContact CA-O 3.31Å; Y67-D89 WeakPolarHBondContact CA-O 3.45Å; T68-D89 PolarHBondContact N-O 3.4Å; T68-D89 PolarHBondContact O-N 3.21Å; Y87-D89 HydrophobicContact CE1-CB 4.02Å; D89-T118 VanDerWaalsContact CG-OG1 3.31Å; D89-T118 WeakPolarHBondContact OD1-CB 3.38Å; D89-T118 WeakPolarHBondContact OD1-CG2 3.43Å; D89-T118 PolarHBondContact OD1-OG1 2.81Å; D89-L120 HydrophobicContact CB-CD1 3.98Å
90	K	89.5	Confident	92.9	Very high	49 Å²	49	49.1 Å²	49.1	21%	0.213	25%	0.254	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-123.7	130.3	-179.9	-66.8	167.5	-169.6	164.3	0	108	R66 Y67 G117 W654 P656	R66-K90 WeakPolarHBondContact O-CA 3.44Å; Y67-K90 HydrophobicContact CD1-CG 3.77Å; Y67-K90 HydrophobicContact CE1-CD 3.88Å; Y67-K90 VanDerWaalsContact CE1-CE 3.49Å; Y67-K90 HydrophobicContact CE1-CG 3.33Å; Y67-K90 HydrophobicContact CE2-CG 4.48Å; Y67-K90 WeakPolarHBondContact OH-CE 3.27Å; K90-G117 WeakPolarHBondContact O-CA 3.36Å; K90-W654 HydrophobicContact CB-CZ2 4.33Å; K90-W654 HydrophobicContact CD-CZ2 4.37Å; K90-P656 PolarHBondContact NZ-O 3.33Å
91	A	90.3	Very high	93.4	Very high	2 Å²	2	47.4 Å²	47.4	2%	0.017	23%	0.231	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-135	146.2	-179.3	0	0	0	0	0	111.5	R66 D114	R66-A91 HydrophobicContact CB-CB 4.37Å; R66-A91 PolarHBondContact N-O 3Å; R66-A91 VanDerWaalsContact NH2-CB 3.31Å; R66-A91 PolarHBondContact O-N 3.18Å; A91-D114 HydrophobicContact CB-CB 4.15Å; A91-D114 WeakPolarHBondContact CB-OD1 3.49Å
92	F	92.7	Very high	94	Very high	51 Å²	51	48 Å²	48	22%	0.224	24%	0.241	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-120.9	125.2	167.2	179.6	-106.7	0	0	0	109.7	T63 T64 L65 L94 D114 I115	T63-F92 HydrophobicContact CG2-CZ 4.14Å; T64-F92 CarbonylContact O-C 3.49Å; T64-F92 WeakPolarHBondContact O-CA 3.39Å; L65-F92 HydrophobicContact CD2-CB 4.29Å; L65-F92 HydrophobicContact CD2-CD2 3.61Å; L65-F92 HydrophobicContact CD2-CE2 4.45Å; L65-F92 HydrophobicContact CD2-CG 4.41Å; L65-F92 HydrophobicContact CG-CD2 4.17Å; F92-L94 HydrophobicContact CD1-CD2 4.34Å; F92-L94 HydrophobicContact CD1-CG 4.21Å; F92-L94 HydrophobicContact CE1-CD1 4.04Å; F92-L94 HydrophobicContact CE1-CD2 3.33Å; F92-L94 HydrophobicContact CE1-CG 3.58Å; F92-L94 HydrophobicContact CZ-CD2 3.49Å; F92-L94 VanDerWaalsContact CZ-CD2 3.49Å; F92-L94 HydrophobicContact CZ-CG 4.24Å; F92-D114 PolarHBondContact O-N 3.06Å; F92-I115 WeakPolarHBondContact CB-O 3.46Å; F92-I115 HydrophobicContact CD1-CB 4.46Å; F92-I115 WeakPolarHBondContact O-CB 3.3Å; F92-I115 PolarHBondContact O-N 3.32Å
93	D	95.4	Very high	94.3	Very high	8 Å²	8	55.9 Å²	55.9	4%	0.043	27%	0.271	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-112.7	145.1	-178.7	-51.2	-12.5	0	0	0	110.4	T63 T64 R66 A112 R113 D114	T63-D93 WeakPolarHBondContact CA-O 3.3Å; T64-D93 PolarHBondContact N-O 2.86Å; T64-D93 PolarHBondContact O-N 2.87Å; R66-D93 IonicContact CZ-OD1 2.72Å; R66-D93 IonicContact CZ-OD2 3.55Å; R66-D93 IonicContact NH1-OD1 3.3Å; R66-D93 IonicContact NH1-OD2 2.79Å; R66-D93 PolarHBondContact NH1-OD2 2.87Å; R66-D93 IonicContact NH2-OD1 2.91Å; R66-D93 PolarHBondContact NH2-OD1 2.96Å; R66-D93 IonicContact NH2-OD2 2.81Å; D93-A112 WeakPolarHBondContact CA-O 3.25Å; D93-R113 HydrophobicContact CB-CG 4.33Å; D93-R113 VanDerWaalsContact OD1-CA 3.27Å; D93-R113 WeakPolarHBondContact OD1-CA 3.25Å; D93-D114 PolarHBondContact OD1-N 2.71Å
94	L	96.7	Very high	94.6	Very high	47 Å²	47	64.8 Å²	64.8	25%	0.246	30%	0.297	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-124.9	137.8	174.4	-67.4	179.8	0	0	0	110.3	L61 T63 F92 L96 G111 A112 I115	L61-L94 HydrophobicContact CD1-CD2 4.32Å; T63-L94 HydrophobicContact CG2-CD2 3.57Å; F92-L94 HydrophobicContact CD1-CD2 4.34Å; F92-L94 HydrophobicContact CD1-CG 4.21Å; F92-L94 HydrophobicContact CE1-CD1 4.04Å; F92-L94 HydrophobicContact CE1-CD2 3.33Å; F92-L94 HydrophobicContact CE1-CG 3.58Å; F92-L94 HydrophobicContact CZ-CD2 3.49Å; F92-L94 VanDerWaalsContact CZ-CD2 3.49Å; F92-L94 HydrophobicContact CZ-CG 4.24Å; L94-L96 HydrophobicContact CB-CD1 4.41Å; L94-G111 CarbonylContact O-C 3.55Å; L94-G111 WeakPolarHBondContact O-CA 3.33Å; L94-A112 PolarHBondContact N-O 3.41Å; L94-A112 PolarHBondContact O-N 2.8Å; L94-I115 HydrophobicContact CB-CD1 4.01Å; L94-I115 HydrophobicContact CD1-CD1 3.62Å; L94-I115 HydrophobicContact CG-CD1 3.75Å
95	K	98.5	Very high	94.9	Very high	3 Å²	3	62.4 Å²	62.4	1%	0.013	28%	0.283	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-132.7	126.1	169.6	-173.4	-163.9	-69.3	155.5	0	110	V22 T29 M32 L61 E62 A109 V110 Y125	V22-K95 PolarHBondContact O-NZ 2.91Å; T29-K95 WeakPolarHBondContact O-CE 3.49Å; T29-K95 PolarHBondContact O-NZ 3.17Å; M32-K95 HydrophobicContact CE-CB 4.25Å; M32-K95 HydrophobicContact CE-CD 3.64Å; M32-K95 HydrophobicContact CE-CG 3.68Å; M32-K95 WeakPolarHBondContact CE-O 3.36Å; M32-K95 HydrophobicContact SD-CD 4Å; L61-K95 WeakPolarHBondContact CA-O 3.29Å; E62-K95 HydrophobicContact CB-CB 4.27Å; E62-K95 PolarHBondContact N-O 2.84Å; E62-K95 PolarHBondContact O-N 3.44Å; E62-K95 WeakPolarHBondContact OE1-CE 3.25Å; E62-K95 IonicContact OE1-NZ 2.81Å; E62-K95 PolarHBondContact OE1-NZ 3.11Å; K95-A109 HydrophobicContact CD-CB 4.2Å; K95-A109 HydrophobicContact CG-CB 3.97Å; K95-V110 WeakPolarHBondContact CA-O 3.46Å; K95-Y125 WeakPolarHBondContact CB-OH 3.31Å; K95-Y125 WeakPolarHBondContact CE-OH 3.26Å; K95-Y125 HydrophobicContact CG-CE2 4.34Å; K95-Y125 WeakPolarHBondContact CG-OH 3.5Å
96	L	98.5	Very high	95.2	Very high	66 Å²	66	63.1 Å²	63.1	35%	0.346	29%	0.29	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-113.5	120.8	179	-65.5	88.2	0	0	0	109.7	W60 L61 L94 A109 V110	W60-L96 CarbonylContact O-C 3.58Å; W60-L96 VanDerWaalsContact O-CA 3.31Å; W60-L96 WeakPolarHBondContact O-CA 3.5Å; L61-L96 HydrophobicContact CD1-CD1 4.27Å; L61-L96 HydrophobicContact CD1-CG 3.97Å; L94-L96 HydrophobicContact CB-CD1 4.41Å; L96-A109 CarbonylContact O-C 3.52Å; L96-A109 WeakPolarHBondContact O-CA 3.36Å; L96-A109 WeakPolarHBondContact O-CB 3.31Å; L96-V110 HydrophobicContact CB-CG1 4.08Å; L96-V110 PolarHBondContact N-O 3.02Å; L96-V110 PolarHBondContact O-N 3.06Å
97	R	98.6	Very high	95.5	Very high	48 Å²	48	62.1 Å²	62.1	18%	0.181	28%	0.283	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-76.3	125.3	171.3	-176.2	-179.9	64.3	175.5	5.9	108.4	M32 P59 W60 E100 Q107	M32-R97 HydrophobicContact CE-CB 3.56Å; M32-R97 HydrophobicContact CG-CB 3.99Å; P59-R97 PolarHBondContact O-NE 3.38Å; P59-R97 PolarHBondContact O-NH2 3.25Å; W60-R97 HydrophobicContact CB-CB 4.25Å; W60-R97 PolarHBondContact O-N 2.95Å; R97-E100 IonicContact CZ-OE1 2.8Å; R97-E100 IonicContact NH1-OE1 2.73Å; R97-E100 PolarHBondContact NH1-OE1 2.99Å; R97-E100 IonicContact NH2-OE1 3.74Å; R97-E100 PolarHBondContact NH2-OE1 3.44Å; R97-Q107 HydrophobicContact CG-CG 4.11Å
98	L	98.5	Very high	95.8	Very high	89 Å²	89	60.2 Å²	60.2	47%	0.466	28%	0.277	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-84.4	-43.8	179.1	-57.5	-175.6	0	0	0	111.5	V108 V110 L126	L98-V108 HydrophobicContact CD1-CG1 4Å; L98-V108 PolarHBondContact N-O 2.95Å; L98-V110 HydrophobicContact CD2-CG1 3.9Å; L98-V110 HydrophobicContact CG-CG1 4.45Å; L98-L126 HydrophobicContact CD1-CD1 4.18Å
99	W	98.3	Very high	96.1	Very high	117 Å²	117	59.5 Å²	59.5	44%	0.443	27%	0.274	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-155.2	158.5	173.5	59.9	85.4	0	0	0	111.2	P106 Q107 V108	W99-P106 PolarHBondContact NE1-O 3.24Å; W99-Q107 WeakPolarHBondContact O-CG 3.41Å; W99-V108 HydrophobicContact CD2-CB 4.02Å; W99-V108 HydrophobicContact CD2-CG2 4.43Å; W99-V108 VanDerWaalsContact CE2-CG2 3.44Å; W99-V108 HydrophobicContact CE3-CB 4.35Å; W99-V108 HydrophobicContact CH2-CB 3.79Å; W99-V108 HydrophobicContact CH2-CG1 3.78Å; W99-V108 HydrophobicContact CH2-CG2 3.95Å; W99-V108 HydrophobicContact CZ2-CB 3.43Å; W99-V108 VanDerWaalsContact CZ2-CB 3.43Å; W99-V108 HydrophobicContact CZ2-CG1 3.91Å; W99-V108 HydrophobicContact CZ2-CG2 3.18Å; W99-V108 HydrophobicContact CZ3-CB 4.23Å; W99-V108 HydrophobicContact CZ3-CG1 4.23Å; W99-V108 PolarHBondContact O-N 3.36Å
100	E	97.8	Very high	96.5	Very high	117 Å²	117	61.2 Å²	61.2	55%	0.547	28%	0.284	S	S	.	.			trans	-78.7	154.6	178.9	-68.5	-173.9	167.8	0	0	112.4	R97 S102	R97-E100 IonicContact CZ-OE1 2.8Å; R97-E100 IonicContact NH1-OE1 2.73Å; R97-E100 PolarHBondContact NH1-OE1 2.99Å; R97-E100 IonicContact NH2-OE1 3.74Å; R97-E100 PolarHBondContact NH2-OE1 3.44Å; E100-S102 PolarHBondContact O-N 2.78Å
101	E	97.2	Very high	96.9	Very high	51 Å²	51	59.1 Å²	59.1	24%	0.238	28%	0.276	C	S	.	.			trans	-60.2	132.3	168.6	178.9	173.3	-163	0	0	109.7	R31 Q107 K130 A131	R31-E101 IonicContact CZ-OE2 3.12Å; R31-E101 IonicContact NH1-OE2 2.75Å; R31-E101 PolarHBondContact NH1-OE2 3.06Å; R31-E101 IonicContact NH2-OE2 2.86Å; R31-E101 PolarHBondContact NH2-OE2 3.33Å; E101-Q107 HydrophobicContact CB-CB 3.89Å; E101-K130 HydrophobicContact CG-CD 4.18Å; E101-K130 WeakPolarHBondContact OE1-CD 3.23Å; E101-K130 WeakPolarHBondContact OE1-CE 3.45Å; E101-K130 IonicContact OE1-NZ 2.69Å; E101-K130 PolarHBondContact OE1-NZ 3.34Å; E101-A131 PolarHBondContact OE1-N 3.25Å
102	S	95.6	Very high	97.2	Very high	54 Å²	54	59.5 Å²	59.5	38%	0.378	28%	0.279	S	S	.	.			trans	-116.4	-176	168.2	72.3	0	0	0	0	109.6	E100 W104 L105 K130	E100-S102 PolarHBondContact O-N 2.78Å; S102-W104 PolarHBondContact O-N 2.78Å; S102-L105 PolarHBondContact N-O 3.49Å; S102-L105 VanDerWaalsContact O-O 3.11Å; S102-L105 WeakPolarHBondContact OG-CB 3.38Å; S102-L105 PolarHBondContact OG-N 3.27Å; S102-L105 VanDerWaalsContact OG-N 3.08Å; S102-K130 PolarHBondContact O-NZ 3.06Å
103	Y	94.3	Very high	97.2	Very high	170 Å²	170	57.4 Å²	57.4	67%	0.667	27%	0.269	S	S	*	.	S	Bend	trans	-54.8	-42.5	175.8	-173.8	-90.2	0	0	0	112.2	K130	Y103-K130 PolarHBondContact O-NZ 2.91Å
104	W	94.7	Very high	96.9	Very high	213 Å²	213	57.3 Å²	57.3	81%	0.807	27%	0.269	S	S	*	.	S	Bend	trans	-100.6	-28.8	-176.4	-59.8	112.2	0	0	0	114.5	S102	S102-W104 PolarHBondContact O-N 2.78Å
105	L	97.2	Very high	96.3	Very high	98 Å²	98	56.8 Å²	56.8	51%	0.513	27%	0.266	S	S	.	.	S	Bend	trans	-102.6	139.9	-173.9	-61.2	174.4	0	0	0	111.1	S102	S102-L105 PolarHBondContact N-O 3.49Å; S102-L105 VanDerWaalsContact O-O 3.11Å; S102-L105 WeakPolarHBondContact OG-CB 3.38Å; S102-L105 PolarHBondContact OG-N 3.27Å; S102-L105 VanDerWaalsContact OG-N 3.08Å
106	P	98.2	Very high	95.2	Very high	42 Å²	42	57.5 Å²	57.5	27%	0.273	27%	0.274	S	S	.	.	P	Polyproline II helix	trans	-69.3	157.3	167.3	32.4	-35	0	0	0	110.3	W99 V108 A128 S129 K130	W99-P106 PolarHBondContact NE1-O 3.24Å; P106-V108 HydrophobicContact CG-CG2 4.24Å; P106-A128 HydrophobicContact CB-CB 4.06Å; P106-A128 HydrophobicContact CG-CB 4Å; P106-S129 CarbonylContact C-O 3.59Å; P106-S129 WeakPolarHBondContact CA-O 3.37Å; P106-S129 VanDerWaalsContact CB-O 3.3Å; P106-S129 WeakPolarHBondContact CB-O 3.4Å; P106-K130 HydrophobicContact CB-CB 4.21Å; P106-K130 HydrophobicContact CB-CD 4.3Å
107	Q	98.6	Very high	93.9	Very high	15 Å²	15	54.6 Å²	54.6	7%	0.07	26%	0.26	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-67.2	138.1	162.6	177.5	153.8	-52.4	0	0	108.5	A30 R97 W99 E101 A128 S129	A30-Q107 HydrophobicContact CB-CB 4.37Å; A30-Q107 HydrophobicContact CB-CG 4.09Å; A30-Q107 WeakPolarHBondContact CB-O 3.34Å; A30-Q107 WeakPolarHBondContact O-CG 3.38Å; A30-Q107 PolarHBondContact O-NE2 2.72Å; R97-Q107 HydrophobicContact CG-CG 4.11Å; W99-Q107 WeakPolarHBondContact O-CG 3.41Å; E101-Q107 HydrophobicContact CB-CB 3.89Å; Q107-A128 CarbonylContact O-C 3.52Å; Q107-A128 WeakPolarHBondContact O-CA 3.39Å; Q107-S129 PolarHBondContact N-O 2.86Å; Q107-S129 PolarHBondContact O-N 2.85Å
108	V	98.8	Very high	92.9	Very high	10 Å²	10	52.8 Å²	52.8	6%	0.061	26%	0.255	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-127.7	139.8	179.3	176.9	0	0	0	0	110.8	L98 W99 P106 L126 V127 A128	L98-V108 HydrophobicContact CD1-CG1 4Å; L98-V108 PolarHBondContact N-O 2.95Å; W99-V108 HydrophobicContact CD2-CB 4.02Å; W99-V108 HydrophobicContact CD2-CG2 4.43Å; W99-V108 VanDerWaalsContact CE2-CG2 3.44Å; W99-V108 HydrophobicContact CE3-CB 4.35Å; W99-V108 HydrophobicContact CH2-CB 3.79Å; W99-V108 HydrophobicContact CH2-CG1 3.78Å; W99-V108 HydrophobicContact CH2-CG2 3.95Å; W99-V108 HydrophobicContact CZ2-CB 3.43Å; W99-V108 VanDerWaalsContact CZ2-CB 3.43Å; W99-V108 HydrophobicContact CZ2-CG1 3.91Å; W99-V108 HydrophobicContact CZ2-CG2 3.18Å; W99-V108 HydrophobicContact CZ3-CB 4.23Å; W99-V108 HydrophobicContact CZ3-CG1 4.23Å; W99-V108 PolarHBondContact O-N 3.36Å; P106-V108 HydrophobicContact CG-CG2 4.24Å; V108-L126 HydrophobicContact CG1-CD1 3.75Å; V108-V127 VanDerWaalsContact CA-O 3.31Å; V108-V127 WeakPolarHBondContact CA-O 3.46Å; V108-A128 HydrophobicContact CG2-CB 3.88Å
109	A	98.8	Very high	92.1	Very high	0 Å²	0	50 Å²	50	0%	0	25%	0.247	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-136.1	152.1	175.1	0	0	0	0	0	111.4	A30 M32 K95 L96 V127	A30-A109 HydrophobicContact CB-CB 4.22Å; M32-A109 HydrophobicContact CE-CB 4.45Å; K95-A109 HydrophobicContact CD-CB 4.2Å; K95-A109 HydrophobicContact CG-CB 3.97Å; L96-A109 CarbonylContact O-C 3.52Å; L96-A109 WeakPolarHBondContact O-CA 3.36Å; L96-A109 WeakPolarHBondContact O-CB 3.31Å; A109-V127 HydrophobicContact CB-CG1 4.14Å; A109-V127 PolarHBondContact N-O 2.69Å; A109-V127 PolarHBondContact O-N 3.02Å
110	V	98.6	Very high	91.5	Very high	36 Å²	36	45.2 Å²	45.2	22%	0.218	23%	0.23	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-112.8	145.7	166.2	65.1	0	0	0	0	108.2	K95 L96 L98 Y125 F182	K95-V110 WeakPolarHBondContact CA-O 3.46Å; L96-V110 HydrophobicContact CB-CG1 4.08Å; L96-V110 PolarHBondContact N-O 3.02Å; L96-V110 PolarHBondContact O-N 3.06Å; L98-V110 HydrophobicContact CD2-CG1 3.9Å; L98-V110 HydrophobicContact CG-CG1 4.45Å; V110-Y125 VanDerWaalsContact CA-O 3.31Å; V110-Y125 WeakPolarHBondContact CA-O 3.18Å; V110-Y125 WeakPolarHBondContact CG2-O 3.39Å; V110-F182 HydrophobicContact CG2-CE1 4.28Å; V110-F182 HydrophobicContact CG2-CZ 4.11Å
111	G	97.8	Very high	91.1	Very high	4 Å²	4	39.7 Å²	39.7	4%	0.041	20%	0.204	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-154	166.3	173.9	0	0	0	0	0	113.4	L94 E124 Y125	L94-G111 CarbonylContact O-C 3.55Å; L94-G111 WeakPolarHBondContact O-CA 3.33Å; G111-E124 CarbonylContact O-C 3.48Å; G111-E124 WeakPolarHBondContact O-CA 3.49Å; G111-Y125 PolarHBondContact N-O 3.05Å; G111-Y125 WeakPolarHBondContact O-CD1 3.28Å; G111-Y125 PolarHBondContact O-N 3.42Å
112	A	95.7	Very high	90.8	Very high	10 Å²	10	39 Å²	39	8%	0.083	20%	0.202	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-135.6	136.3	175	0	0	0	0	0	108.7	D93 L94 I115 A123 E124 M181	D93-A112 WeakPolarHBondContact CA-O 3.25Å; L94-A112 PolarHBondContact N-O 3.41Å; L94-A112 PolarHBondContact O-N 2.8Å; A112-I115 HydrophobicContact CB-CD1 3.94Å; A112-I115 HydrophobicContact CB-CG1 4.01Å; A112-A123 CarbonylContact C-O 3.52Å; A112-A123 VanDerWaalsContact CA-O 3.31Å; A112-A123 WeakPolarHBondContact CA-O 3.39Å; A112-E124 HydrophobicContact CB-CG 4.46Å; A112-M181 HydrophobicContact CB-CE 4Å
113	R	93.2	Very high	90.6	Very high	7 Å²	7	36.5 Å²	36.5	3%	0.026	19%	0.185	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-106.1	151.9	175	-65.2	-177.2	171.2	170.5	-4.5	109.5	F19 Q26 D93 I115 A123 Y125	F19-R113 VanDerWaalsContact CD2-NH1 3.29Å; Q26-R113 PolarHBondContact O-NH1 2.94Å; Q26-R113 PolarHBondContact O-NH2 3.49Å; D93-R113 HydrophobicContact CB-CG 4.33Å; D93-R113 VanDerWaalsContact OD1-CA 3.27Å; D93-R113 WeakPolarHBondContact OD1-CA 3.25Å; R113-I115 PolarHBondContact O-N 2.95Å; R113-A123 HydrophobicContact CB-CB 4.48Å; R113-A123 PolarHBondContact N-O 3.49Å; R113-Y125 HydrophobicContact CG-CE1 4.27Å
114	D	89	Confident	90.7	Very high	6 Å²	6	28.5 Å²	28.5	3%	0.032	15%	0.153	C	C	.	.	S	Bend	trans	63.1	37.2	173.7	-156.9	7.4	0	0	0	114.3	A91 F92 D93 G116 G117 G119 L120 F121 D122	A91-D114 HydrophobicContact CB-CB 4.15Å; A91-D114 WeakPolarHBondContact CB-OD1 3.49Å; F92-D114 PolarHBondContact O-N 3.06Å; D93-D114 PolarHBondContact OD1-N 2.71Å; D114-G116 PolarHBondContact O-N 2.86Å; D114-G117 PolarHBondContact O-N 3.21Å; D114-G117 VanDerWaalsContact OD1-CA 3.22Å; D114-G117 WeakPolarHBondContact OD1-CA 3.25Å; D114-G119 VanDerWaalsContact OD2-C 3.24Å; D114-G119 VanDerWaalsContact OD2-CA 3.22Å; D114-G119 WeakPolarHBondContact OD2-CA 3.43Å; D114-G119 PolarHBondContact OD2-N 2.98Å; D114-L120 PolarHBondContact OD2-N 3.33Å; D114-F121 HydrophobicContact CB-CB 4.47Å; D114-F121 PolarHBondContact OD2-N 2.98Å; D114-D122 HydrophobicContact CB-CB 4.42Å; D114-D122 PolarHBondContact OD2-N 2.91Å
115	I	84.1	Confident	90.9	Very high	37 Å²	37	18.6 Å²	18.6	19%	0.19	12%	0.116	C	C	.	.	T	Hydrogen-bonded Turn	trans	-70.1	119.5	171.9	-54.1	174.5	0	0	0	108.6	F92 L94 A112 R113 G117 I176	F92-I115 WeakPolarHBondContact CB-O 3.46Å; F92-I115 HydrophobicContact CD1-CB 4.46Å; F92-I115 WeakPolarHBondContact O-CB 3.3Å; F92-I115 PolarHBondContact O-N 3.32Å; L94-I115 HydrophobicContact CB-CD1 4.01Å; L94-I115 HydrophobicContact CD1-CD1 3.62Å; L94-I115 HydrophobicContact CG-CD1 3.75Å; A112-I115 HydrophobicContact CB-CD1 3.94Å; A112-I115 HydrophobicContact CB-CG1 4.01Å; R113-I115 PolarHBondContact O-N 2.95Å; I115-G117 VanDerWaalsContact C-N 3.27Å; I115-G117 PolarHBondContact O-N 2.85Å; I115-I176 HydrophobicContact CG2-CG2 4.35Å
116	G	75	Confident	90.9	Very high	17 Å²	17	17.7 Å²	17.7	18%	0.175	11%	0.111	C	C	.	.	T	Hydrogen-bonded Turn	trans	74.3	16.8	178.2	0	0	0	0	0	114	D114 G174 S175	D114-G116 PolarHBondContact O-N 2.86Å; G116-G174 CarbonylContact O-C 3.55Å; G116-G174 WeakPolarHBondContact O-CA 3.3Å; G116-G174 PolarHBondContact O-N 2.63Å; G116-S175 VanDerWaalsContact CA-O 3.32Å; G116-S175 WeakPolarHBondContact CA-O 3.5Å
117	G	72.7	Confident	90.9	Very high	5 Å²	5	15.7 Å²	15.7	5%	0.052	10%	0.098	C	C	.	.	S	Bend	trans	-92.3	-143.8	168.5	0	0	0	0	0	112.4	K90 D114 I115 G174	K90-G117 WeakPolarHBondContact O-CA 3.36Å; D114-G117 PolarHBondContact O-N 3.21Å; D114-G117 VanDerWaalsContact OD1-CA 3.22Å; D114-G117 WeakPolarHBondContact OD1-CA 3.25Å; I115-G117 VanDerWaalsContact C-N 3.27Å; I115-G117 PolarHBondContact O-N 2.85Å; G117-G174 PolarHBondContact O-N 3.48Å; G117-G174 VanDerWaalsContact O-N 3.12Å
118	T	77	Confident	91	Very high	11 Å²	11	16.3 Å²	16.3	7%	0.067	11%	0.106	C	C	.	.			trans	-96.1	-11.7	175.9	58.4	0	0	0	0	112.6	D89 L120 K171 A173	D89-T118 VanDerWaalsContact CG-OG1 3.31Å; D89-T118 WeakPolarHBondContact OD1-CB 3.38Å; D89-T118 WeakPolarHBondContact OD1-CG2 3.43Å; D89-T118 PolarHBondContact OD1-OG1 2.81Å; T118-L120 WeakPolarHBondContact OG1-CG 3.46Å; T118-K171 PolarHBondContact O-N 3.01Å; T118-A173 HydrophobicContact CG2-CB 3.56Å
119	G	81.6	Confident	90.9	Very high	30 Å²	30	15.9 Å²	15.9	31%	0.309	10%	0.103	S	C	.	.	S	Bend	trans	87.8	12	179.6	0	0	0	0	0	114.3	D114 F121	D114-G119 VanDerWaalsContact OD2-C 3.24Å; D114-G119 VanDerWaalsContact OD2-CA 3.22Å; D114-G119 WeakPolarHBondContact OD2-CA 3.43Å; D114-G119 PolarHBondContact OD2-N 2.98Å; G119-F121 VanDerWaalsContact C-N 3.26Å; G119-F121 PolarHBondContact O-N 3.19Å
120	L	85.2	Confident	90.9	Very high	16 Å²	16	18.9 Å²	18.9	8%	0.084	12%	0.116	C	C	.	.	T	Hydrogen-bonded Turn	trans	-61.8	-35.4	178.3	-64.5	-172.4	0	0	0	112.4	Y87 D89 D114 T118 Y170 F216	Y87-L120 HydrophobicContact CD1-CD1 4.49Å; Y87-L120 HydrophobicContact CE1-CD1 3.88Å; D89-L120 HydrophobicContact CB-CD1 3.98Å; D114-L120 PolarHBondContact OD2-N 3.33Å; T118-L120 WeakPolarHBondContact OG1-CG 3.46Å; L120-Y170 HydrophobicContact CD2-CD1 3.64Å; L120-Y170 HydrophobicContact CD2-CE1 3.29Å; L120-F216 HydrophobicContact CD1-CB 3.99Å; L120-F216 HydrophobicContact CD1-CD1 3.51Å; L120-F216 HydrophobicContact CD1-CD2 4.27Å; L120-F216 HydrophobicContact CD1-CE1 4.01Å; L120-F216 HydrophobicContact CD1-CG 3.66Å; L120-F216 HydrophobicContact CD2-CB 3.83Å; L120-F216 HydrophobicContact CD2-CD1 4.27Å; L120-F216 HydrophobicContact CD2-CD2 3.47Å; L120-F216 VanDerWaalsContact CD2-CD2 3.47Å; L120-F216 HydrophobicContact CD2-CE2 4.06Å; L120-F216 HydrophobicContact CD2-CG 3.59Å; L120-F216 HydrophobicContact CG-CB 4.34Å; L120-F216 HydrophobicContact CG-CG 4.22Å
121	F	89.8	Confident	90.7	Very high	2 Å²	2	19.3 Å²	19.3	1%	0.009	12%	0.124	C	C	.	.	T	Hydrogen-bonded Turn	trans	-120.1	19.3	-176	-56.1	-75.2	0	0	0	112.2	F19 Y48 Y50 T68 D114 G119 A123 Y145	F19-F121 HydrophobicContact CE1-CB 4.18Å; F19-F121 AromaticContact CE1-CD1 3.56Å; F19-F121 HydrophobicContact CE1-CD1 3.56Å; F19-F121 HydrophobicContact CE1-CD2 4.49Å; F19-F121 HydrophobicContact CE1-CE1 4.01Å; F19-F121 AromaticContact CE1-CG 3.82Å; F19-F121 HydrophobicContact CE1-CG 3.82Å; F19-F121 AromaticContact CZ-CD1 3.81Å; F19-F121 HydrophobicContact CZ-CD1 3.81Å; F19-F121 HydrophobicContact CZ-CE1 4.25Å; F19-F121 HydrophobicContact CZ-CG 4.44Å; Y48-F121 HydrophobicContact CD1-CZ 4.33Å; Y48-F121 HydrophobicContact CE1-CE1 4.44Å; Y48-F121 AromaticContact CE1-CZ 3.67Å; Y48-F121 HydrophobicContact CE1-CZ 3.67Å; Y48-F121 AromaticContact CZ-CZ 3.76Å; Y50-F121 HydrophobicContact CE1-CZ 4.39Å; T68-F121 HydrophobicContact CG2-CE2 3.72Å; T68-F121 HydrophobicContact CG2-CZ 3.85Å; D114-F121 HydrophobicContact CB-CB 4.47Å; D114-F121 PolarHBondContact OD2-N 2.98Å; G119-F121 VanDerWaalsContact C-N 3.26Å; G119-F121 PolarHBondContact O-N 3.19Å; F121-A123 PolarHBondContact O-N 2.76Å; F121-Y145 HydrophobicContact CD1-CD1 4.28Å; F121-Y145 HydrophobicContact CD1-CD2 4.11Å; F121-Y145 HydrophobicContact CD1-CE1 4Å; F121-Y145 AromaticContact CD1-CE2 3.84Å; F121-Y145 HydrophobicContact CD1-CE2 3.84Å; F121-Y145 HydrophobicContact CD1-CG 4.34Å; F121-Y145 AromaticContact CD1-CZ 3.77Å; F121-Y145 HydrophobicContact CE1-CE1 4.49Å; F121-Y145 HydrophobicContact CE1-CE2 4.12Å; F121-Y145 AromaticContact CE1-CZ 3.94Å
122	D	90.3	Very high	90.5	Very high	37 Å²	37	28.1 Å²	28.1	20%	0.198	16%	0.156	C	C	.	.			trans	-56.7	122.6	-179.9	-172.9	13.6	0	0	0	110.7	D114 G144 Y145 R166	D114-D122 HydrophobicContact CB-CB 4.42Å; D114-D122 PolarHBondContact OD2-N 2.91Å; D122-G144 CarbonylContact O-C 3.57Å; D122-G144 WeakPolarHBondContact O-CA 3.07Å; D122-Y145 PolarHBondContact O-N 3.47Å; D122-R166 IonicContact OD1-NH2 2.61Å; D122-R166 PolarHBondContact OD1-NH2 3.2Å; D122-R166 IonicContact OD2-CZ 3.67Å; D122-R166 IonicContact OD2-NH2 3.86Å; D122-R166 PolarHBondContact OD2-NH2 3.17Å
123	A	93.1	Very high	90.3	Very high	1 Å²	1	30.7 Å²	30.7	1%	0.008	18%	0.183	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-157.1	134.4	-176.5	0	0	0	0	0	110.5	A112 R113 F121 W143 L146	A112-A123 CarbonylContact C-O 3.52Å; A112-A123 VanDerWaalsContact CA-O 3.31Å; A112-A123 WeakPolarHBondContact CA-O 3.39Å; R113-A123 HydrophobicContact CB-CB 4.48Å; R113-A123 PolarHBondContact N-O 3.49Å; F121-A123 PolarHBondContact O-N 2.76Å; A123-W143 WeakPolarHBondContact CA-O 3.29Å; A123-W143 WeakPolarHBondContact CB-O 3.3Å; A123-L146 HydrophobicContact CB-CB 4.19Å; A123-L146 HydrophobicContact CB-CD1 4.01Å; A123-L146 HydrophobicContact CB-CG 3.86Å
124	E	95.8	Very high	90.3	Very high	1 Å²	1	31.6 Å²	31.6	1%	0.005	19%	0.19	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-106.6	152.7	166.6	-49.5	81	-161.4	0	0	109.9	G111 A112 G142 W143 R166 M181 F182	G111-E124 CarbonylContact O-C 3.48Å; G111-E124 WeakPolarHBondContact O-CA 3.49Å; A112-E124 HydrophobicContact CB-CG 4.46Å; E124-G142 CarbonylContact O-C 3.57Å; E124-G142 WeakPolarHBondContact O-CA 2.96Å; E124-W143 HydrophobicContact CB-CE3 4.46Å; E124-W143 PolarHBondContact O-N 3.11Å; E124-W143 WeakPolarHBondContact OE2-CB 3.39Å; E124-R166 IonicContact OE1-CZ 2.79Å; E124-R166 IonicContact OE1-NH1 3.79Å; E124-R166 PolarHBondContact OE1-NH1 2.86Å; E124-R166 IonicContact OE1-NH2 3.78Å; E124-R166 PolarHBondContact OE1-NH2 2.7Å; E124-R166 IonicContact OE2-CZ 2.99Å; E124-R166 IonicContact OE2-NH1 3.98Å; E124-R166 PolarHBondContact OE2-NH1 3.22Å; E124-R166 IonicContact OE2-NH2 3.39Å; E124-M181 HydrophobicContact CG-CB 4.09Å; E124-M181 HydrophobicContact CG-CG 3.99Å; E124-M181 WeakPolarHBondContact OE1-CA 2.91Å; E124-F182 HydrophobicContact CB-CD1 3.68Å; E124-F182 HydrophobicContact CB-CE1 3.54Å; E124-F182 HydrophobicContact CB-CG 4.34Å; E124-F182 HydrophobicContact CB-CZ 4.09Å; E124-F182 HydrophobicContact CG-CD1 4.36Å; E124-F182 HydrophobicContact CG-CE1 4.28Å; E124-F182 HydrophobicContact CG-CZ 4.41Å; E124-F182 PolarHBondContact OE2-N 2.83Å
125	Y	97.9	Very high	90.6	Very high	6 Å²	6	34.7 Å²	34.7	2%	0.024	20%	0.204	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-151.3	150.6	177.7	59.1	-88.9	0	0	0	113.1	P28 K95 V110 G111 R113 V127 L141 L146	P28-Y125 HydrophobicContact CB-CD2 4.16Å; P28-Y125 HydrophobicContact CB-CE1 4.15Å; P28-Y125 HydrophobicContact CB-CE2 3.63Å; P28-Y125 HydrophobicContact CG-CD1 3.79Å; P28-Y125 HydrophobicContact CG-CD2 3.51Å; P28-Y125 HydrophobicContact CG-CE1 3.81Å; P28-Y125 HydrophobicContact CG-CE2 3.51Å; P28-Y125 HydrophobicContact CG-CG 3.64Å; K95-Y125 WeakPolarHBondContact CB-OH 3.31Å; K95-Y125 WeakPolarHBondContact CE-OH 3.26Å; K95-Y125 HydrophobicContact CG-CE2 4.34Å; K95-Y125 WeakPolarHBondContact CG-OH 3.5Å; V110-Y125 VanDerWaalsContact CA-O 3.31Å; V110-Y125 WeakPolarHBondContact CA-O 3.18Å; V110-Y125 WeakPolarHBondContact CG2-O 3.39Å; G111-Y125 PolarHBondContact N-O 3.05Å; G111-Y125 WeakPolarHBondContact O-CD1 3.28Å; G111-Y125 PolarHBondContact O-N 3.42Å; R113-Y125 HydrophobicContact CG-CE1 4.27Å; Y125-V127 HydrophobicContact CD2-CB 4.16Å; Y125-V127 HydrophobicContact CD2-CG1 3.74Å; Y125-V127 HydrophobicContact CE2-CG1 3.83Å; Y125-L141 CarbonylContact C-O 3.57Å; Y125-L141 VanDerWaalsContact CA-O 3.25Å; Y125-L141 WeakPolarHBondContact CA-O 3.24Å; Y125-L146 HydrophobicContact CD1-CD1 3.88Å; Y125-L146 HydrophobicContact CG-CD1 4.25Å
126	L	98.5	Very high	91.2	Very high	78 Å²	78	34.4 Å²	34.4	41%	0.408	20%	0.202	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-115.6	127.2	162.3	179.1	70.5	0	0	0	107.2	L98 V108 G140 L141	L98-L126 HydrophobicContact CD1-CD1 4.18Å; V108-L126 HydrophobicContact CG1-CD1 3.75Å; L126-G140 CarbonylContact O-C 3.51Å; L126-G140 WeakPolarHBondContact O-CA 3.37Å; L126-L141 PolarHBondContact N-O 2.87Å; L126-L141 PolarHBondContact O-N 3Å
127	V	98.7	Very high	92.3	Very high	1 Å²	1	37.9 Å²	37.9	1%	0.006	21%	0.213	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-137.6	142.4	-173.4	63.5	0	0	0	0	111.4	A30 V108 A109 Y125 T138 F189	A30-V127 HydrophobicContact CB-CG1 4.05Å; A30-V127 WeakPolarHBondContact CB-O 3.45Å; V108-V127 VanDerWaalsContact CA-O 3.31Å; V108-V127 WeakPolarHBondContact CA-O 3.46Å; A109-V127 HydrophobicContact CB-CG1 4.14Å; A109-V127 PolarHBondContact N-O 2.69Å; A109-V127 PolarHBondContact O-N 3.02Å; Y125-V127 HydrophobicContact CD2-CB 4.16Å; Y125-V127 HydrophobicContact CD2-CG1 3.74Å; Y125-V127 HydrophobicContact CE2-CG1 3.83Å; V127-T138 HydrophobicContact CG2-CG2 3.39Å; V127-F189 HydrophobicContact CB-CE2 4.44Å; V127-F189 HydrophobicContact CB-CZ 4.17Å; V127-F189 HydrophobicContact CG2-CE2 4.02Å; V127-F189 HydrophobicContact CG2-CZ 4.25Å
128	A	98.8	Very high	93.5	Very high	28 Å²	28	38.1 Å²	38.1	23%	0.231	21%	0.213	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-121.5	138.2	176.1	0	0	0	0	0	110.5	P106 Q107 V108 T138 L139	P106-A128 HydrophobicContact CB-CB 4.06Å; P106-A128 HydrophobicContact CG-CB 4Å; Q107-A128 CarbonylContact O-C 3.52Å; Q107-A128 WeakPolarHBondContact O-CA 3.39Å; V108-A128 HydrophobicContact CG2-CB 3.88Å; A128-T138 WeakPolarHBondContact O-CA 2.95Å; A128-L139 PolarHBondContact N-O 3.14Å; A128-L139 PolarHBondContact O-N 2.76Å
129	S	98.5	Very high	94.6	Very high	0 Å²	0	42.9 Å²	42.9	0%	0	24%	0.237	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-130.3	140	175.2	-58.5	0	0	0	0	112.1	A30 P106 Q107 F137 T138	A30-S129 WeakPolarHBondContact CB-OG 3.26Å; A30-S129 PolarHBondContact N-OG 3.3Å; P106-S129 CarbonylContact C-O 3.59Å; P106-S129 WeakPolarHBondContact CA-O 3.37Å; P106-S129 VanDerWaalsContact CB-O 3.3Å; P106-S129 WeakPolarHBondContact CB-O 3.4Å; Q107-S129 PolarHBondContact N-O 2.86Å; Q107-S129 PolarHBondContact O-N 2.85Å; S129-F137 CarbonylContact C-O 3.56Å; S129-F137 WeakPolarHBondContact CA-O 3.01Å; S129-T138 PolarHBondContact OG-OG1 3.48Å
130	K	98.1	Very high	95.4	Very high	63 Å²	63	41.7 Å²	41.7	27%	0.274	23%	0.225	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-139.2	125.1	-178.4	-170.8	81	-172.8	121.4	0	110	E101 S102 Y103 P106 F137	E101-K130 HydrophobicContact CG-CD 4.18Å; E101-K130 WeakPolarHBondContact OE1-CD 3.23Å; E101-K130 WeakPolarHBondContact OE1-CE 3.45Å; E101-K130 IonicContact OE1-NZ 2.69Å; E101-K130 PolarHBondContact OE1-NZ 3.34Å; S102-K130 PolarHBondContact O-NZ 3.06Å; Y103-K130 PolarHBondContact O-NZ 2.91Å; P106-K130 HydrophobicContact CB-CB 4.21Å; P106-K130 HydrophobicContact CB-CD 4.3Å; K130-F137 PolarHBondContact N-O 3.16Å; K130-F137 PolarHBondContact O-N 2.99Å
131	A	94.9	Very high	96	Very high	45 Å²	45	42.3 Å²	42.3	37%	0.372	23%	0.229	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-88.4	137.4	177	0	0	0	0	0	110	E101 F135	E101-A131 PolarHBondContact OE1-N 3.25Å; A131-F135 WeakPolarHBondContact CA-O 3.35Å
132	W	93.8	Very high	96.4	Very high	189 Å²	189	42.2 Å²	42.2	72%	0.716	23%	0.228	S	C	*	.	E	Extended strand (participates in β ladder)	trans	-145.6	103.1	173.6	-176.2	58.5	0	0	0	110.5	F135 F137	W132-F135 PolarHBondContact N-O 3.45Å; W132-F135 PolarHBondContact O-N 3.34Å; W132-F135 VanDerWaalsContact O-N 3.17Å; W132-F137 HydrophobicContact CB-CE2 4.18Å; W132-F137 HydrophobicContact CE3-CE2 4.14Å; W132-F137 HydrophobicContact CE3-CZ 4.5Å
133	G	91.1	Very high	96.6	Very high	64 Å²	64	41 Å²	41	66%	0.66	22%	0.221	S	C	*	.	T	Hydrogen-bonded Turn	trans	60.3	-130.4	-172.7	0	0	0	0	0	110.8	F135	G133-F135 PolarHBondContact O-N 3.28Å
134	P	92.3	Very high	96.5	Very high	27 Å²	27	41.6 Å²	41.6	18%	0.175	23%	0.227	C	C	.	.	T	Hydrogen-bonded Turn	trans	-80.3	2.1	178.5	34.5	-36.7	0	0	0	113.9	Y194 Q195	P134-Y194 HydrophobicContact CB-CD2 3.96Å; P134-Y194 HydrophobicContact CB-CE2 3.69Å; P134-Y194 HydrophobicContact CG-CD2 4.08Å; P134-Y194 HydrophobicContact CG-CE2 3.61Å; P134-Y194 WeakPolarHBondContact O-CA 3.48Å; P134-Q195 WeakPolarHBondContact CB-O 3.42Å; P134-Q195 PolarHBondContact O-N 2.8Å
135	F	95.6	Very high	96.4	Very high	71 Å²	71	42.6 Å²	42.6	31%	0.311	23%	0.231	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-104.9	138.2	-178	-58.5	-81.3	0	0	0	111	A131 W132 G133 F137 V192 E193 Y194	A131-F135 WeakPolarHBondContact CA-O 3.35Å; W132-F135 PolarHBondContact N-O 3.45Å; W132-F135 PolarHBondContact O-N 3.34Å; W132-F135 VanDerWaalsContact O-N 3.17Å; G133-F135 PolarHBondContact O-N 3.28Å; F135-F137 HydrophobicContact CB-CD2 4.19Å; F135-F137 HydrophobicContact CB-CE2 3.48Å; F135-F137 VanDerWaalsContact CB-CE2 3.48Å; F135-F137 HydrophobicContact CB-CZ 3.78Å; F135-F137 HydrophobicContact CG-CE2 4.33Å; F135-F137 HydrophobicContact CG-CZ 4.21Å; F135-V192 HydrophobicContact CB-CG2 4.01Å; F135-V192 HydrophobicContact CD1-CG2 3.83Å; F135-V192 HydrophobicContact CG-CG2 4.4Å; F135-E193 CarbonylContact C-O 3.54Å; F135-E193 WeakPolarHBondContact CA-O 3.39Å; F135-Y194 AromaticContact CD1-CD2 3.58Å; F135-Y194 HydrophobicContact CD1-CD2 3.58Å; F135-Y194 HydrophobicContact CD1-CE2 4.45Å; F135-Y194 HydrophobicContact CD1-CG 4.08Å; F135-Y194 AromaticContact CE1-CD2 3.29Å; F135-Y194 HydrophobicContact CE1-CD2 3.29Å; F135-Y194 AromaticContact CE1-CE2 3.86Å; F135-Y194 HydrophobicContact CE1-CE2 3.86Å; F135-Y194 AromaticContact CE1-CG 3.76Å; F135-Y194 HydrophobicContact CE1-CG 3.76Å; F135-Y194 HydrophobicContact CE2-CD2 4.36Å; F135-Y194 HydrophobicContact CE2-CE2 4.36Å; F135-Y194 HydrophobicContact CG-CD2 4.23Å; F135-Y194 AromaticContact CZ-CD2 3.73Å; F135-Y194 HydrophobicContact CZ-CD2 3.73Å; F135-Y194 AromaticContact CZ-CE2 3.8Å; F135-Y194 HydrophobicContact CZ-CE2 3.8Å
136	D	96.5	Very high	96.3	Very high	30 Å²	30	42.3 Å²	42.3	16%	0.16	23%	0.23	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-119.5	108.2	168.6	-165.4	6.7	0	0	0	109.4	R31 V192 E193	R31-D136 WeakPolarHBondContact CG-OD2 3.47Å; R31-D136 IonicContact CZ-OD1 3.1Å; R31-D136 IonicContact CZ-OD2 2.65Å; R31-D136 IonicContact NE-OD1 3.93Å; R31-D136 PolarHBondContact NE-OD1 3.14Å; R31-D136 IonicContact NE-OD2 2.79Å; R31-D136 PolarHBondContact NE-OD2 3.43Å; R31-D136 IonicContact NH2-OD1 3.91Å; R31-D136 PolarHBondContact NH2-OD1 2.68Å; R31-D136 IonicContact NH2-OD2 3.7Å; D136-V192 WeakPolarHBondContact O-CA 3.47Å; D136-E193 HydrophobicContact CB-CB 4.46Å; D136-E193 PolarHBondContact N-O 3.43Å; D136-E193 PolarHBondContact O-N 3.31Å
137	F	98.3	Very high	96.1	Very high	91 Å²	91	38.6 Å²	38.6	40%	0.399	21%	0.21	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-89.1	137.5	-176.8	-64.1	-87.3	0	0	0	110	S129 K130 W132 F135 V192	S129-F137 CarbonylContact C-O 3.56Å; S129-F137 WeakPolarHBondContact CA-O 3.01Å; K130-F137 PolarHBondContact N-O 3.16Å; K130-F137 PolarHBondContact O-N 2.99Å; W132-F137 HydrophobicContact CB-CE2 4.18Å; W132-F137 HydrophobicContact CE3-CE2 4.14Å; W132-F137 HydrophobicContact CE3-CZ 4.5Å; F135-F137 HydrophobicContact CB-CD2 4.19Å; F135-F137 HydrophobicContact CB-CE2 3.48Å; F135-F137 VanDerWaalsContact CB-CE2 3.48Å; F135-F137 HydrophobicContact CB-CZ 3.78Å; F135-F137 HydrophobicContact CG-CE2 4.33Å; F135-F137 HydrophobicContact CG-CZ 4.21Å; F137-V192 HydrophobicContact CD1-CB 4.23Å; F137-V192 HydrophobicContact CD1-CG2 4.09Å; F137-V192 HydrophobicContact CE1-CB 4.37Å; F137-V192 HydrophobicContact CE1-CG2 4Å; F137-V192 HydrophobicContact CZ-CG2 4.4Å
138	T	98.6	Very high	95.8	Very high	9 Å²	9	40.2 Å²	40.2	6%	0.055	22%	0.22	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-128.6	136	176.7	-66.3	0	0	0	0	110.7	T29 V127 A128 S129 G190 G191	T29-T138 HydrophobicContact CG2-CG2 4.01Å; T29-T138 WeakPolarHBondContact CG2-OG1 3.42Å; V127-T138 HydrophobicContact CG2-CG2 3.39Å; A128-T138 WeakPolarHBondContact O-CA 2.95Å; S129-T138 PolarHBondContact OG-OG1 3.48Å; T138-G190 CarbonylContact O-C 3.55Å; T138-G190 WeakPolarHBondContact O-CA 3.33Å; T138-G191 PolarHBondContact N-O 3.1Å; T138-G191 PolarHBondContact O-N 2.91Å
139	L	98.7	Very high	95.6	Very high	111 Å²	111	40.3 Å²	40.3	58%	0.581	22%	0.219	S	C	*	.	E	Extended strand (participates in β ladder)	trans	-137.4	130.9	171.5	-179.3	66.7	0	0	0	109	A128	A128-L139 PolarHBondContact N-O 3.14Å; A128-L139 PolarHBondContact O-N 2.76Å
140	G	98.5	Very high	95.3	Very high	5 Å²	5	42.1 Å²	42.1	5%	0.052	24%	0.238	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-143	164.7	-179.7	0	0	0	0	0	113.5	L126 L188 F189	L126-G140 CarbonylContact O-C 3.51Å; L126-G140 WeakPolarHBondContact O-CA 3.37Å; G140-L188 WeakPolarHBondContact O-CA 3.25Å; G140-F189 PolarHBondContact N-O 3.22Å; G140-F189 PolarHBondContact O-N 2.96Å
141	L	98.4	Very high	95.1	Very high	30 Å²	30	41.9 Å²	41.9	16%	0.157	24%	0.24	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-118.3	123.1	172.5	-177.8	63.2	0	0	0	107.5	Y125 L126 W143 V152 P155 A186 S187 L188	Y125-L141 CarbonylContact C-O 3.57Å; Y125-L141 VanDerWaalsContact CA-O 3.25Å; Y125-L141 WeakPolarHBondContact CA-O 3.24Å; L126-L141 PolarHBondContact N-O 2.87Å; L126-L141 PolarHBondContact O-N 3Å; L141-W143 HydrophobicContact CB-CH2 4.28Å; L141-W143 HydrophobicContact CB-CZ3 4.36Å; L141-W143 HydrophobicContact CD2-CH2 3.48Å; L141-W143 VanDerWaalsContact CD2-CH2 3.48Å; L141-W143 HydrophobicContact CD2-CZ2 3.61Å; L141-W143 HydrophobicContact CD2-CZ3 4.31Å; L141-W143 HydrophobicContact CG-CH2 3.68Å; L141-W143 HydrophobicContact CG-CZ2 3.96Å; L141-W143 HydrophobicContact CG-CZ3 4.03Å; L141-W143 VanDerWaalsContact O-CZ3 3.31Å; L141-W143 WeakPolarHBondContact O-CZ3 2.8Å; L141-V152 HydrophobicContact CD1-CG2 3.44Å; L141-V152 VanDerWaalsContact CD1-CG2 3.44Å; L141-P155 HydrophobicContact CD2-CG 3.87Å; L141-A186 HydrophobicContact CD1-CB 3.93Å; L141-S187 WeakPolarHBondContact CA-O 3.31Å; L141-L188 HydrophobicContact CD1-CD2 4.31Å
142	G	97.2	Very high	95.1	Very high	0 Å²	0	42 Å²	42	0%	0	24%	0.235	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-118.7	150.8	-178.1	0	0	0	0	0	112.4	E124 G147 A186 S187	E124-G142 CarbonylContact O-C 3.57Å; E124-G142 WeakPolarHBondContact O-CA 2.96Å; G142-G147 VanDerWaalsContact O-CA 3.3Å; G142-G147 WeakPolarHBondContact O-CA 3.26Å; G142-A186 CarbonylContact O-C 3.58Å; G142-A186 VanDerWaalsContact O-CA 3.29Å; G142-A186 WeakPolarHBondContact O-CA 3.33Å; G142-S187 PolarHBondContact N-O 2.82Å; G142-S187 PolarHBondContact O-N 2.67Å
143	W	95.1	Very high	95.1	Very high	11 Å²	11	41.2 Å²	41.2	4%	0.042	24%	0.237	C	C	.	.			trans	-121.1	173.1	171.4	-63.9	-100.1	0	0	0	109.1	A123 E124 L141 Y145 L146 N154 P155 F182	A123-W143 WeakPolarHBondContact CA-O 3.29Å; A123-W143 WeakPolarHBondContact CB-O 3.3Å; E124-W143 HydrophobicContact CB-CE3 4.46Å; E124-W143 PolarHBondContact O-N 3.11Å; E124-W143 WeakPolarHBondContact OE2-CB 3.39Å; L141-W143 HydrophobicContact CB-CH2 4.28Å; L141-W143 HydrophobicContact CB-CZ3 4.36Å; L141-W143 HydrophobicContact CD2-CH2 3.48Å; L141-W143 VanDerWaalsContact CD2-CH2 3.48Å; L141-W143 HydrophobicContact CD2-CZ2 3.61Å; L141-W143 HydrophobicContact CD2-CZ3 4.31Å; L141-W143 HydrophobicContact CG-CH2 3.68Å; L141-W143 HydrophobicContact CG-CZ2 3.96Å; L141-W143 HydrophobicContact CG-CZ3 4.03Å; L141-W143 VanDerWaalsContact O-CZ3 3.31Å; L141-W143 WeakPolarHBondContact O-CZ3 2.8Å; W143-Y145 PolarHBondContact O-N 3.47Å; W143-L146 PolarHBondContact O-N 2.79Å; W143-N154 VanDerWaalsContact NE1-CG 3.25Å; W143-N154 PolarHBondContact NE1-ND2 2.85Å; W143-N154 VanDerWaalsContact NE1-ND2 3.16Å; W143-N154 PolarHBondContact NE1-OD1 3.05Å; W143-P155 HydrophobicContact CZ2-CG 4.41Å; W143-F182 HydrophobicContact CD2-CB 4.31Å; W143-F182 HydrophobicContact CD2-CD1 4.1Å; W143-F182 AromaticContact CE3-CD1 3.74Å; W143-F182 HydrophobicContact CE3-CD1 3.74Å; W143-F182 HydrophobicContact CE3-CE1 4.44Å; W143-F182 HydrophobicContact CH2-CD1 4.13Å; W143-F182 HydrophobicContact CZ2-CD1 4.45Å; W143-F182 AromaticContact CZ3-CD1 3.77Å; W143-F182 HydrophobicContact CZ3-CD1 3.77Å; W143-F182 HydrophobicContact CZ3-CE1 4.27Å; W143-F182 PolarHBondContact NE1-O 3.13Å
144	G	91.9	Very high	95.3	Very high	13 Å²	13	38.5 Å²	38.5	13%	0.134	21%	0.207	C	C	.	.	G	3₁₀ helix	trans	60.3	-134.8	-177.6	0	0	0	0	0	111.6	D122 L146 G147 T148	D122-G144 CarbonylContact O-C 3.57Å; D122-G144 WeakPolarHBondContact O-CA 3.07Å; G144-L146 VanDerWaalsContact C-N 3.26Å; G144-L146 PolarHBondContact O-N 2.65Å; G144-G147 WeakPolarHBondContact O-CA 3.47Å; G144-G147 PolarHBondContact O-N 3.15Å; G144-T148 VanDerWaalsContact O-CG2 3.25Å; G144-T148 WeakPolarHBondContact O-CG2 3.38Å; G144-T148 PolarHBondContact O-N 2.61Å
145	Y	92.8	Very high	95.3	Very high	22 Å²	22	40.4 Å²	40.4	9%	0.086	22%	0.22	C	C	.	.	G	3₁₀ helix	trans	-56.3	-36.4	-178	-165.4	-97.2	0	0	0	113	F19 F121 D122 W143 G147 N210 Y212 D215	F19-Y145 HydrophobicContact CE2-CE1 4.4Å; F19-Y145 HydrophobicContact CZ-CD1 4.32Å; F19-Y145 AromaticContact CZ-CE1 3.86Å; F19-Y145 HydrophobicContact CZ-CE1 3.86Å; F121-Y145 HydrophobicContact CD1-CD1 4.28Å; F121-Y145 HydrophobicContact CD1-CD2 4.11Å; F121-Y145 HydrophobicContact CD1-CE1 4Å; F121-Y145 AromaticContact CD1-CE2 3.84Å; F121-Y145 HydrophobicContact CD1-CE2 3.84Å; F121-Y145 HydrophobicContact CD1-CG 4.34Å; F121-Y145 AromaticContact CD1-CZ 3.77Å; F121-Y145 HydrophobicContact CE1-CE1 4.49Å; F121-Y145 HydrophobicContact CE1-CE2 4.12Å; F121-Y145 AromaticContact CE1-CZ 3.94Å; D122-Y145 PolarHBondContact O-N 3.47Å; W143-Y145 PolarHBondContact O-N 3.47Å; Y145-G147 VanDerWaalsContact C-N 3.3Å; Y145-G147 PolarHBondContact O-N 2.93Å; Y145-N210 WeakPolarHBondContact CE1-ND2 3.37Å; Y145-N210 WeakPolarHBondContact O-CB 3.33Å; Y145-N210 VanDerWaalsContact O-CG 3.26Å; Y145-N210 PolarHBondContact OH-ND2 3.11Å; Y145-Y212 WeakPolarHBondContact OH-CE1 3.11Å; Y145-D215 PolarHBondContact OH-OD2 3.28Å
146	L	95.1	Very high	95.2	Very high	1 Å²	1	39.8 Å²	39.8	1%	0.005	22%	0.219	C	C	.	.	G	3₁₀ helix	trans	-74.3	-19.2	175.3	-70.5	173.3	0	0	0	113.3	T27 P28 A123 Y125 W143 G144 F189 G209	T27-L146 HydrophobicContact CG2-CD2 4.45Å; P28-L146 HydrophobicContact CG-CD1 4.24Å; A123-L146 HydrophobicContact CB-CB 4.19Å; A123-L146 HydrophobicContact CB-CD1 4.01Å; A123-L146 HydrophobicContact CB-CG 3.86Å; Y125-L146 HydrophobicContact CD1-CD1 3.88Å; Y125-L146 HydrophobicContact CG-CD1 4.25Å; W143-L146 PolarHBondContact O-N 2.79Å; G144-L146 VanDerWaalsContact C-N 3.26Å; G144-L146 PolarHBondContact O-N 2.65Å; L146-F189 HydrophobicContact CD1-CE1 4.38Å; L146-G209 CarbonylContact O-C 3.32Å; L146-G209 VanDerWaalsContact O-CA 3.25Å; L146-G209 WeakPolarHBondContact O-CA 3.4Å
147	G	94.2	Very high	95	Very high	0 Å²	0	39 Å²	39	0%	0	22%	0.216	C	C	.	.	T	Hydrogen-bonded Turn	trans	-103.2	-6.2	-169.6	0	0	0	0	0	115.8	G142 G144 Y145 S149 G150	G142-G147 VanDerWaalsContact O-CA 3.3Å; G142-G147 WeakPolarHBondContact O-CA 3.26Å; G144-G147 WeakPolarHBondContact O-CA 3.47Å; G144-G147 PolarHBondContact O-N 3.15Å; Y145-G147 VanDerWaalsContact C-N 3.3Å; Y145-G147 PolarHBondContact O-N 2.93Å; G147-S149 PolarHBondContact O-N 2.75Å; G147-G150 PolarHBondContact O-N 3.41Å
148	T	93	Very high	94.7	Very high	35 Å²	35	39.9 Å²	39.9	22%	0.215	23%	0.234	C	C	.	.	T	Hydrogen-bonded Turn	trans	-62.4	-22.5	-163.5	65.3	0	0	0	0	115	G144 G150 N210 N211	G144-T148 VanDerWaalsContact O-CG2 3.25Å; G144-T148 WeakPolarHBondContact O-CG2 3.38Å; G144-T148 PolarHBondContact O-N 2.61Å; T148-G150 PolarHBondContact O-N 2.91Å; T148-N210 WeakPolarHBondContact OG1-CA 3.33Å; T148-N210 PolarHBondContact OG1-OD1 3.37Å; T148-N211 PolarHBondContact O-ND2 3.25Å; T148-N211 PolarHBondContact OG1-N 3.16Å; T148-N211 PolarHBondContact OG1-OD1 2.76Å
149	S	94.2	Very high	94.4	Very high	29 Å²	29	43.2 Å²	43.2	20%	0.203	26%	0.262	C	S	.	.	T	Hydrogen-bonded Turn	trans	-70.9	-15.9	175.1	69.9	0	0	0	0	114.2	G147 N151 S187 G209	G147-S149 PolarHBondContact O-N 2.75Å; S149-N151 PolarHBondContact O-N 2.93Å; S149-N151 VanDerWaalsContact O-N 3.17Å; S149-S187 PolarHBondContact OG-OG 3.41Å; S149-G209 WeakPolarHBondContact CB-O 3.31Å; S149-G209 PolarHBondContact N-O 2.99Å; S149-G209 PolarHBondContact OG-O 2.97Å
150	G	93.3	Very high	94	Very high	38 Å²	38	40.3 Å²	40.3	39%	0.392	25%	0.251	S	S	.	.			trans	58.6	30.4	173.2	0	0	0	0	0	114.4	G147 T148 V152 A186	G147-G150 PolarHBondContact O-N 3.41Å; T148-G150 PolarHBondContact O-N 2.91Å; G150-V152 PolarHBondContact O-N 3.19Å; G150-A186 CarbonylContact C-O 3.5Å; G150-A186 VanDerWaalsContact CA-O 3.23Å; G150-A186 WeakPolarHBondContact CA-O 3.43Å
151	N	93.7	Very high	93.6	Very high	59 Å²	59	45.9 Å²	45.9	32%	0.316	28%	0.279	S	S	.	.			trans	-72.5	-8.6	-171.2	70.9	20.1	0	0	0	114	S149 A186 S187 L188 Y207	S149-N151 PolarHBondContact O-N 2.93Å; S149-N151 VanDerWaalsContact O-N 3.17Å; N151-A186 PolarHBondContact N-O 2.75Å; N151-S187 PolarHBondContact ND2-OG 3.37Å; N151-S187 WeakPolarHBondContact OD1-CA 3.35Å; N151-S187 PolarHBondContact OD1-OG 2.78Å; N151-L188 PolarHBondContact ND2-O 3.36Å; N151-L188 PolarHBondContact OD1-N 3.28Å; N151-Y207 PolarHBondContact ND2-OH 3.24Å
152	V	95.1	Very high	93.3	Very high	46 Å²	46	50 Å²	50	28%	0.279	30%	0.296	S	S	.	.	B	Isolated β-bridge	trans	-135.1	149.5	171.3	-69.1	0	0	0	0	109.9	L141 G150 N154 A186 L188	L141-V152 HydrophobicContact CD1-CG2 3.44Å; L141-V152 VanDerWaalsContact CD1-CG2 3.44Å; G150-V152 PolarHBondContact O-N 3.19Å; V152-N154 PolarHBondContact O-N 3.09Å; V152-A186 HydrophobicContact CG2-CB 4.22Å; V152-A186 PolarHBondContact N-O 3.02Å; V152-L188 HydrophobicContact CG1-CD1 3.68Å; V152-L188 HydrophobicContact CG1-CG 3.71Å; V152-L188 HydrophobicContact CG2-CG 4.23Å
153	K	93.1	Very high	93	Very high	173 Å²	173	52.7 Å²	52.7	75%	0.752	31%	0.307	S	S	*	.			trans	-66.3	132.3	172.7	-171.9	177.3	-178.8	180	0	108.9	P155	K153-P155 VanDerWaalsContact O-CD 3.31Å; K153-P155 WeakPolarHBondContact O-CD 3.43Å; K153-P155 VanDerWaalsContact O-N 3.09Å
154	N	94.8	Very high	92.8	Very high	7 Å²	7	54.1 Å²	54.1	4%	0.037	32%	0.318	C	S	.	.			trans	-56.3	115.7	173	-177.8	-12.5	0	0	0	109.3	W143 V152 L156 C157 Y163 F182 G184 A186	W143-N154 VanDerWaalsContact NE1-CG 3.25Å; W143-N154 PolarHBondContact NE1-ND2 2.85Å; W143-N154 VanDerWaalsContact NE1-ND2 3.16Å; W143-N154 PolarHBondContact NE1-OD1 3.05Å; V152-N154 PolarHBondContact O-N 3.09Å; N154-L156 PolarHBondContact O-N 2.65Å; N154-L156 WeakPolarHBondContact OD1-CB 3.41Å; N154-L156 PolarHBondContact OD1-N 3.43Å; N154-C157 WeakPolarHBondContact O-CB 3.36Å; N154-C157 PolarHBondContact O-N 2.9Å; N154-C157 VanDerWaalsContact O-N 3.16Å; N154-Y163 PolarHBondContact ND2-O 3.5Å; N154-F182 PolarHBondContact ND2-O 3.02Å; N154-G184 WeakPolarHBondContact CB-O 3.29Å; N154-G184 PolarHBondContact ND2-O 3.35Å; N154-A186 HydrophobicContact CB-CB 4.05Å
155	P	93.7	Very high	92.6	Very high	68 Å²	68	62 Å²	62	44%	0.442	35%	0.345	S	S	.	.	G	3₁₀ helix	trans	-66.2	-22.4	-175.6	26.8	-35	0	0	0	112.5	L141 W143 K153 C157 S158	L141-P155 HydrophobicContact CD2-CG 3.87Å; W143-P155 HydrophobicContact CZ2-CG 4.41Å; K153-P155 VanDerWaalsContact O-CD 3.31Å; K153-P155 WeakPolarHBondContact O-CD 3.43Å; K153-P155 VanDerWaalsContact O-N 3.09Å; P155-C157 VanDerWaalsContact C-N 3.27Å; P155-C157 PolarHBondContact O-N 2.94Å; P155-S158 PolarHBondContact O-N 3.21Å; P155-S158 PolarHBondContact O-OG 3.41Å
156	L	93.7	Very high	92.1	Very high	57 Å²	57	62.4 Å²	62.4	30%	0.298	35%	0.346	S	S	.	.	G	3₁₀ helix	trans	-76.1	-15.7	178.8	-59.8	179.4	0	0	0	113	N154 S158 A159 S160 Y163 F182	N154-L156 PolarHBondContact O-N 2.65Å; N154-L156 WeakPolarHBondContact OD1-CB 3.41Å; N154-L156 PolarHBondContact OD1-N 3.43Å; L156-S158 PolarHBondContact O-N 3.33Å; L156-A159 WeakPolarHBondContact O-CB 3.3Å; L156-A159 PolarHBondContact O-N 3.11Å; L156-S160 PolarHBondContact O-N 3.19Å; L156-S160 VanDerWaalsContact O-N 3.14Å; L156-Y163 HydrophobicContact CB-CD1 4.01Å; L156-Y163 HydrophobicContact CB-CD2 3.79Å; L156-Y163 HydrophobicContact CB-CE2 4.39Å; L156-Y163 HydrophobicContact CB-CG 3.58Å; L156-Y163 HydrophobicContact CD1-CD1 4.03Å; L156-Y163 HydrophobicContact CD1-CE1 4.15Å; L156-Y163 HydrophobicContact CD1-CG 4.44Å; L156-Y163 VanDerWaalsContact O-CD2 3.31Å; L156-Y163 WeakPolarHBondContact O-CD2 3.35Å; L156-F182 HydrophobicContact CD1-CB 3.47Å; L156-F182 VanDerWaalsContact CD1-CB 3.47Å; L156-F182 HydrophobicContact CD1-CG 4.26Å
157	C	92.6	Very high	91.2	Very high	13 Å²	13	66.8 Å²	66.8	9%	0.088	37%	0.37	C	S	.	.	G	3₁₀ helix	trans	-54	-36.4	171.3	-85.8	0	0	0	0	112.9	N154 P155 A159 S160 C164	N154-C157 WeakPolarHBondContact O-CB 3.36Å; N154-C157 PolarHBondContact O-N 2.9Å; N154-C157 VanDerWaalsContact O-N 3.16Å; P155-C157 VanDerWaalsContact C-N 3.27Å; P155-C157 PolarHBondContact O-N 2.94Å; C157-A159 VanDerWaalsContact C-N 3.26Å; C157-A159 PolarHBondContact O-N 2.7Å; C157-S160 CarbonylContact O-C 3.45Å; C157-S160 PolarHBondContact O-N 3.25Å; C157-C164 VanDerWaalsContact CA-SG 3.51Å; C157-C164 HydrophobicContact CB-CB 4.45Å; C157-C164 WeakPolarHBondContact CB-SG 3.49Å; C157-C164 WeakPolarHBondContact SG-CA 3.42Å; C157-C164 WeakPolarHBondContact SG-CB 3.4Å; C157-C164 CovalentContact SG-SG 2.04Å; C157-C164 PolarHBondContact SG-SG 2.64Å
158	S	91.2	Very high	90	Very high	111 Å²	111	71.4 Å²	71.4	78%	0.776	39%	0.394	S	S	*	.	G	3₁₀ helix	trans	-73.4	-20.3	178.4	55.1	0	0	0	0	113.1	P155 L156	P155-S158 PolarHBondContact O-N 3.21Å; P155-S158 PolarHBondContact O-OG 3.41Å; L156-S158 PolarHBondContact O-N 3.33Å
159	A	91.5	Very high	88.8	Confident	79 Å²	79	72.9 Å²	72.9	65%	0.653	41%	0.406	S	S	*	.	T	Hydrogen-bonded Turn	trans	-80.8	-35.9	174.6	0	0	0	0	0	111.4	L156 C157	L156-A159 WeakPolarHBondContact O-CB 3.3Å; L156-A159 PolarHBondContact O-N 3.11Å; C157-A159 VanDerWaalsContact C-N 3.26Å; C157-A159 PolarHBondContact O-N 2.7Å
160	S	91.2	Very high	87.2	Confident	49 Å²	49	78 Å²	78	34%	0.343	42%	0.422	S	S	.	.			trans	-165.4	138.6	173.3	-178.3	0	0	0	0	110.9	L156 C157 K162 Y163	L156-S160 PolarHBondContact O-N 3.19Å; L156-S160 VanDerWaalsContact O-N 3.14Å; C157-S160 CarbonylContact O-C 3.45Å; C157-S160 PolarHBondContact O-N 3.25Å; S160-K162 PolarHBondContact O-N 3.35Å; S160-K162 VanDerWaalsContact O-N 3.08Å; S160-K162 WeakPolarHBondContact OG-CG 3.27Å; S160-Y163 PolarHBondContact O-N 2.81Å; S160-Y163 VanDerWaalsContact O-N 3.13Å
161	D	90.4	Very high	85.9	Confident	122 Å²	122	79 Å²	79	65%	0.652	42%	0.416	S	S	*	.	G	3₁₀ helix	trans	-58.5	-23.7	178.4	-69.5	-33	0	0	0	113.5	Y163 C164 Y165	D161-Y163 PolarHBondContact O-N 3.3Å; D161-C164 WeakPolarHBondContact O-CB 3.15Å; D161-C164 PolarHBondContact O-N 2.81Å; D161-Y165 VanDerWaalsContact O-CD2 3.3Å; D161-Y165 WeakPolarHBondContact O-CD2 3.3Å
162	K	91	Very high	84.6	Confident	117 Å²	117	82 Å²	82	51%	0.509	43%	0.427	S	S	.	.	G	3₁₀ helix	trans	-54.2	-40.5	176.7	74.1	-176.6	-176.7	167.5	0	111.4	S160 C164 Y165 H183	S160-K162 PolarHBondContact O-N 3.35Å; S160-K162 VanDerWaalsContact O-N 3.08Å; S160-K162 WeakPolarHBondContact OG-CG 3.27Å; K162-C164 PolarHBondContact O-N 3Å; K162-C164 VanDerWaalsContact O-N 3.11Å; K162-Y165 PolarHBondContact O-N 3.47Å; K162-Y165 VanDerWaalsContact O-N 3.16Å; K162-H183 PolarHBondContact O-CD2 2.99Å
163	Y	91.8	Very high	83.2	Confident	57 Å²	57	81.3 Å²	81.3	22%	0.224	43%	0.427	C	S	.	.	G	3₁₀ helix	trans	-67.1	-14.9	-178	-67.1	-71.1	0	0	0	113.6	N154 L156 S160 D161 Y165 H183 G184	N154-Y163 PolarHBondContact ND2-O 3.5Å; L156-Y163 HydrophobicContact CB-CD1 4.01Å; L156-Y163 HydrophobicContact CB-CD2 3.79Å; L156-Y163 HydrophobicContact CB-CE2 4.39Å; L156-Y163 HydrophobicContact CB-CG 3.58Å; L156-Y163 HydrophobicContact CD1-CD1 4.03Å; L156-Y163 HydrophobicContact CD1-CE1 4.15Å; L156-Y163 HydrophobicContact CD1-CG 4.44Å; L156-Y163 VanDerWaalsContact O-CD2 3.31Å; L156-Y163 WeakPolarHBondContact O-CD2 3.35Å; S160-Y163 PolarHBondContact O-N 2.81Å; S160-Y163 VanDerWaalsContact O-N 3.13Å; D161-Y163 PolarHBondContact O-N 3.3Å; Y163-Y165 VanDerWaalsContact C-N 3.28Å; Y163-Y165 PolarHBondContact O-N 3.44Å; Y163-H183 AromaticContact CD1-CE1 3.36Å; Y163-H183 WeakPolarHBondContact CD1-CE1 3.29Å; Y163-H183 AromaticContact CD1-ND1 3.56Å; Y163-H183 AromaticContact CD1-NE2 3.72Å; Y163-H183 AromaticContact CE1-CE1 3.46Å; Y163-H183 VanDerWaalsContact CE1-CE1 3.46Å; Y163-H183 WeakPolarHBondContact CE1-CE1 3.38Å; Y163-H183 AromaticContact CE1-ND1 3.94Å; Y163-H183 CarbonylContact O-C 3.37Å; Y163-H183 WeakPolarHBondContact O-CA 3.01Å; Y163-G184 PolarHBondContact O-N 3.28Å
164	C	90.5	Very high	82	Confident	40 Å²	40	73.4 Å²	73.4	27%	0.27	39%	0.394	S	S	.	.	G	3₁₀ helix	trans	-76	-18.5	177.3	-57.5	0	0	0	0	113.5	C157 D161 K162	C157-C164 VanDerWaalsContact CA-SG 3.51Å; C157-C164 HydrophobicContact CB-CB 4.45Å; C157-C164 WeakPolarHBondContact CB-SG 3.49Å; C157-C164 WeakPolarHBondContact SG-CA 3.42Å; C157-C164 WeakPolarHBondContact SG-CB 3.4Å; C157-C164 CovalentContact SG-SG 2.04Å; C157-C164 PolarHBondContact SG-SG 2.64Å; D161-C164 WeakPolarHBondContact O-CB 3.15Å; D161-C164 PolarHBondContact O-N 2.81Å; K162-C164 PolarHBondContact O-N 3Å; K162-C164 VanDerWaalsContact O-N 3.11Å
165	Y	87.1	Confident	80.9	Confident	179 Å²	179	73.8 Å²	73.8	70%	0.702	40%	0.398	S	S	*	.			trans	-118.1	122.2	-173.9	-55.4	-81.3	0	0	0	109.4	D161 K162 Y163 H183	D161-Y165 VanDerWaalsContact O-CD2 3.3Å; D161-Y165 WeakPolarHBondContact O-CD2 3.3Å; K162-Y165 PolarHBondContact O-N 3.47Å; K162-Y165 VanDerWaalsContact O-N 3.16Å; Y163-Y165 VanDerWaalsContact C-N 3.28Å; Y163-Y165 PolarHBondContact O-N 3.44Å; Y165-H183 WeakPolarHBondContact O-CB 3.42Å; Y165-H183 PolarHBondContact O-CD2 3.15Å
166	R	83.8	Confident	79.8	Confident	31 Å²	31	73.7 Å²	73.7	12%	0.117	39%	0.393	C	S	.	.			trans	-106.3	129	169.7	-168.1	179.3	-169.9	105.9	-0.7	108.6	D122 E124 N168 Q180 H183	D122-R166 IonicContact OD1-NH2 2.61Å; D122-R166 PolarHBondContact OD1-NH2 3.2Å; D122-R166 IonicContact OD2-CZ 3.67Å; D122-R166 IonicContact OD2-NH2 3.86Å; D122-R166 PolarHBondContact OD2-NH2 3.17Å; E124-R166 IonicContact OE1-CZ 2.79Å; E124-R166 IonicContact OE1-NH1 3.79Å; E124-R166 PolarHBondContact OE1-NH1 2.86Å; E124-R166 IonicContact OE1-NH2 3.78Å; E124-R166 PolarHBondContact OE1-NH2 2.7Å; E124-R166 IonicContact OE2-CZ 2.99Å; E124-R166 IonicContact OE2-NH1 3.98Å; E124-R166 PolarHBondContact OE2-NH1 3.22Å; E124-R166 IonicContact OE2-NH2 3.39Å; R166-N168 WeakPolarHBondContact CD-OD1 3.32Å; R166-N168 WeakPolarHBondContact CG-OD1 3.33Å; R166-N168 PolarHBondContact O-N 2.89Å; R166-Q180 HydrophobicContact CG-CB 4.28Å; R166-Q180 PolarHBondContact NH1-O 3.03Å; R166-H183 HydrophobicContact CB-CB 4.1Å; R166-H183 HydrophobicContact CG-CB 4.34Å; R166-H183 PolarHBondContact NH1-O 2.93Å
167	D	75.6	Confident	78.7	Confident	93 Å²	93	74.3 Å²	74.3	50%	0.497	40%	0.397	S	S	.	.			trans	-74.6	113.7	163.5	-174.2	-4.2	0	0	0	108.6	S169	D167-S169 VanDerWaalsContact CG-OG 3.24Å; D167-S169 VanDerWaalsContact OD1-CB 3.28Å; D167-S169 WeakPolarHBondContact OD1-CB 3.41Å; D167-S169 PolarHBondContact OD1-N 2.77Å; D167-S169 PolarHBondContact OD1-OG 3.42Å; D167-S169 PolarHBondContact OD2-OG 3.27Å
168	N	68.4	Low	77.8	Confident	97 Å²	97	75.7 Å²	75.7	52%	0.519	41%	0.413	S	S	.	.			trans	-98.1	14	179.8	-65.8	-25.7	0	0	0	112.3	R166 Y170	R166-N168 WeakPolarHBondContact CD-OD1 3.32Å; R166-N168 WeakPolarHBondContact CG-OD1 3.33Å; R166-N168 PolarHBondContact O-N 2.89Å; N168-Y170 PolarHBondContact O-N 2.69Å
169	S	67.5	Low	77.3	Confident	66 Å²	66	73.3 Å²	73.3	46%	0.462	40%	0.396	S	S	.	.	P	Polyproline II helix	trans	-62.6	130.2	172.2	58.5	0	0	0	0	110.3	D167 K171	D167-S169 VanDerWaalsContact CG-OG 3.24Å; D167-S169 VanDerWaalsContact OD1-CB 3.28Å; D167-S169 WeakPolarHBondContact OD1-CB 3.41Å; D167-S169 PolarHBondContact OD1-N 2.77Å; D167-S169 PolarHBondContact OD1-OG 3.42Å; D167-S169 PolarHBondContact OD2-OG 3.27Å; S169-K171 PolarHBondContact O-N 2.7Å
170	Y	61.8	Low	76.8	Confident	135 Å²	135	71 Å²	71	53%	0.529	37%	0.372	S	S	.	.	P	Polyproline II helix	trans	-62.5	134.2	174.5	-60.5	-65.2	0	0	0	109.5	L120 N168	L120-Y170 HydrophobicContact CD2-CD1 3.64Å; L120-Y170 HydrophobicContact CD2-CE1 3.29Å; N168-Y170 PolarHBondContact O-N 2.69Å
171	K	65.7	Low	76.6	Confident	61 Å²	61	71.6 Å²	71.6	27%	0.265	37%	0.37	S	S	.	.	P	Polyproline II helix	trans	-92.8	165.9	177.7	-58	-177.1	-172.8	169.2	0	110.1	T118 S169 S175 D177	T118-K171 PolarHBondContact O-N 3.01Å; S169-K171 PolarHBondContact O-N 2.7Å; K171-S175 WeakPolarHBondContact CB-OG 3.33Å; K171-D177 HydrophobicContact CD-CB 4.3Å; K171-D177 VanDerWaalsContact NZ-CB 3.31Å; K171-D177 VanDerWaalsContact NZ-CG 3.32Å; K171-D177 PolarHBondContact NZ-O 2.94Å; K171-D177 IonicContact NZ-OD2 3.97Å; K171-D177 PolarHBondContact NZ-OD2 2.84Å
172	Q	65.4	Low	76.7	Confident	120 Å²	120	68.5 Å²	68.5	56%	0.561	35%	0.351	S	S	*	.	P	Polyproline II helix	trans	-60.4	140.1	170.1	-68.4	-179.2	-13	0	0	109.6	G174 S175	Q172-G174 PolarHBondContact O-N 2.65Å; Q172-S175 VanDerWaalsContact O-CB 3.31Å; Q172-S175 WeakPolarHBondContact O-CB 3.42Å; Q172-S175 PolarHBondContact O-N 2.74Å; Q172-S175 VanDerWaalsContact O-N 3.15Å; Q172-S175 PolarHBondContact O-OG 2.99Å
173	A	66.3	Low	76.8	Confident	32 Å²	32	63.7 Å²	63.7	26%	0.264	33%	0.33	S	S	.	.	T	Hydrogen-bonded Turn	trans	-56.1	138.5	179.5	0	0	0	0	0	110.4	T118 S175 E625 G626	T118-A173 HydrophobicContact CG2-CB 3.56Å; A173-S175 VanDerWaalsContact C-N 3.27Å; A173-S175 PolarHBondContact O-N 3.1Å; A173-E625 HydrophobicContact CB-CG 4.49Å; A173-E625 WeakPolarHBondContact CB-OE1 3.42Å; A173-E625 WeakPolarHBondContact O-CG 3.23Å; A173-G626 WeakPolarHBondContact O-CA 3.29Å; A173-G626 PolarHBondContact O-N 3.19Å
174	G	67.1	Low	76.8	Confident	7 Å²	7	61.1 Å²	61.1	7%	0.072	32%	0.321	C	S	.	.	T	Hydrogen-bonded Turn	trans	87.7	-15.3	179.7	0	0	0	0	0	114.5	G116 G117 Q172 K630	G116-G174 CarbonylContact O-C 3.55Å; G116-G174 WeakPolarHBondContact O-CA 3.3Å; G116-G174 PolarHBondContact O-N 2.63Å; G117-G174 PolarHBondContact O-N 3.48Å; G117-G174 VanDerWaalsContact O-N 3.12Å; Q172-G174 PolarHBondContact O-N 2.65Å; G174-K630 PolarHBondContact O-NZ 2.81Å
175	S	71.8	Confident	76.8	Confident	16 Å²	16	62.5 Å²	62.5	11%	0.112	33%	0.329	C	S	.	.			trans	-70.8	140.3	-176.9	65.6	0	0	0	0	112.1	G116 K171 Q172 A173 D627	G116-S175 VanDerWaalsContact CA-O 3.32Å; G116-S175 WeakPolarHBondContact CA-O 3.5Å; K171-S175 WeakPolarHBondContact CB-OG 3.33Å; Q172-S175 VanDerWaalsContact O-CB 3.31Å; Q172-S175 WeakPolarHBondContact O-CB 3.42Å; Q172-S175 PolarHBondContact O-N 2.74Å; Q172-S175 VanDerWaalsContact O-N 3.15Å; Q172-S175 PolarHBondContact O-OG 2.99Å; A173-S175 VanDerWaalsContact C-N 3.27Å; A173-S175 PolarHBondContact O-N 3.1Å; S175-D627 VanDerWaalsContact CA-OD2 3.3Å; S175-D627 WeakPolarHBondContact CA-OD2 3.45Å; S175-D627 WeakPolarHBondContact CB-OD2 2.92Å
176	I	71.2	Confident	77.3	Confident	66 Å²	66	54 Å²	54	34%	0.338	30%	0.296	S	S	.	.			trans	-114.2	118.8	177.8	-58.3	-178.1	0	0	0	108.6	I115 D627 F628 K630	I115-I176 HydrophobicContact CG2-CG2 4.35Å; I176-D627 PolarHBondContact N-OD2 3.12Å; I176-D627 VanDerWaalsContact N-OD2 3.11Å; I176-F628 HydrophobicContact CD1-CE1 4.07Å; I176-F628 HydrophobicContact CD1-CZ 3.73Å; I176-F628 HydrophobicContact CG1-CE1 4.41Å; I176-K630 HydrophobicContact CD1-CD 4.09Å
177	D	70	Confident	77.9	Confident	70 Å²	70	52.5 Å²	52.5	37%	0.374	29%	0.29	S	S	.	.			trans	-145.5	109.8	172.9	169.7	32.8	0	0	0	110.9	K171 S179	K171-D177 HydrophobicContact CD-CB 4.3Å; K171-D177 VanDerWaalsContact NZ-CB 3.31Å; K171-D177 VanDerWaalsContact NZ-CG 3.32Å; K171-D177 PolarHBondContact NZ-O 2.94Å; K171-D177 IonicContact NZ-OD2 3.97Å; K171-D177 PolarHBondContact NZ-OD2 2.84Å; D177-S179 VanDerWaalsContact C-N 3.31Å; D177-S179 VanDerWaalsContact CG-OG 3.23Å; D177-S179 WeakPolarHBondContact OD1-CB 3.29Å; D177-S179 PolarHBondContact OD1-N 3.19Å; D177-S179 PolarHBondContact OD1-OG 2.87Å; D177-S179 PolarHBondContact OD2-OG 3.28Å
178	G	75.4	Confident	79	Confident	41 Å²	41	51.4 Å²	51.4	42%	0.423	28%	0.284	S	S	.	.	G	3₁₀ helix	trans	-84.1	2.7	177.6	0	0	0	0	0	114.6	Q180 M181	G178-Q180 PolarHBondContact O-N 2.99Å; G178-M181 WeakPolarHBondContact O-CB 3.35Å; G178-M181 WeakPolarHBondContact O-CG 3.36Å; G178-M181 PolarHBondContact O-N 3.1Å; G178-M181 VanDerWaalsContact O-N 3.12Å
179	S	79.3	Confident	80.4	Confident	61 Å²	61	46.9 Å²	46.9	43%	0.427	26%	0.26	S	S	.	.	G	3₁₀ helix	trans	-59.8	-28.9	-177	71.8	0	0	0	0	113.4	D177 H183	D177-S179 VanDerWaalsContact C-N 3.31Å; D177-S179 VanDerWaalsContact CG-OG 3.23Å; D177-S179 WeakPolarHBondContact OD1-CB 3.29Å; D177-S179 PolarHBondContact OD1-N 3.19Å; D177-S179 PolarHBondContact OD1-OG 2.87Å; D177-S179 PolarHBondContact OD2-OG 3.28Å; S179-H183 PolarHBondContact O-CE1 3.45Å; S179-H183 PolarHBondContact O-ND1 2.79Å
180	Q	81.2	Confident	81.9	Confident	31 Å²	31	44 Å²	44	15%	0.145	24%	0.241	C	C	.	.	G	3₁₀ helix	trans	-90.8	-1.6	-178.6	-59.6	-53.6	-51.4	0	0	113.9	R166 G178 F182 H183	R166-Q180 HydrophobicContact CG-CB 4.28Å; R166-Q180 PolarHBondContact NH1-O 3.03Å; G178-Q180 PolarHBondContact O-N 2.99Å; Q180-F182 PolarHBondContact O-N 3.11Å; Q180-H183 VanDerWaalsContact O-CB 3.28Å; Q180-H183 WeakPolarHBondContact O-CB 3.42Å; Q180-H183 PolarHBondContact O-N 3.14Å; Q180-H183 VanDerWaalsContact O-N 3.09Å; Q180-H183 PolarHBondContact O-ND1 2.87Å
181	M	88.1	Confident	83.7	Confident	62 Å²	62	38.6 Å²	38.6	31%	0.305	23%	0.226	S	C	.	.	T	Hydrogen-bonded Turn	trans	-59.1	131.8	-176.8	-76.7	-174	162.2	0	0	111.4	A112 E124 G178 H183	A112-M181 HydrophobicContact CB-CE 4Å; E124-M181 HydrophobicContact CG-CB 4.09Å; E124-M181 HydrophobicContact CG-CG 3.99Å; E124-M181 WeakPolarHBondContact OE1-CA 2.91Å; G178-M181 WeakPolarHBondContact O-CB 3.35Å; G178-M181 WeakPolarHBondContact O-CG 3.36Å; G178-M181 PolarHBondContact O-N 3.1Å; G178-M181 VanDerWaalsContact O-N 3.12Å; M181-H183 PolarHBondContact O-N 3.29Å; M181-H183 PolarHBondContact O-ND1 3.07Å
182	F	92.8	Very high	85.2	Confident	57 Å²	57	37 Å²	37	25%	0.25	22%	0.221	C	C	.	.	T	Hydrogen-bonded Turn	trans	62.2	18	179.6	-42.7	-81.6	0	0	0	114.6	V110 E124 W143 N154 L156 Q180	V110-F182 HydrophobicContact CG2-CE1 4.28Å; V110-F182 HydrophobicContact CG2-CZ 4.11Å; E124-F182 HydrophobicContact CB-CD1 3.68Å; E124-F182 HydrophobicContact CB-CE1 3.54Å; E124-F182 HydrophobicContact CB-CG 4.34Å; E124-F182 HydrophobicContact CB-CZ 4.09Å; E124-F182 HydrophobicContact CG-CD1 4.36Å; E124-F182 HydrophobicContact CG-CE1 4.28Å; E124-F182 HydrophobicContact CG-CZ 4.41Å; E124-F182 PolarHBondContact OE2-N 2.83Å; W143-F182 HydrophobicContact CD2-CB 4.31Å; W143-F182 HydrophobicContact CD2-CD1 4.1Å; W143-F182 AromaticContact CE3-CD1 3.74Å; W143-F182 HydrophobicContact CE3-CD1 3.74Å; W143-F182 HydrophobicContact CE3-CE1 4.44Å; W143-F182 HydrophobicContact CH2-CD1 4.13Å; W143-F182 HydrophobicContact CZ2-CD1 4.45Å; W143-F182 AromaticContact CZ3-CD1 3.77Å; W143-F182 HydrophobicContact CZ3-CD1 3.77Å; W143-F182 HydrophobicContact CZ3-CE1 4.27Å; W143-F182 PolarHBondContact NE1-O 3.13Å; N154-F182 PolarHBondContact ND2-O 3.02Å; L156-F182 HydrophobicContact CD1-CB 3.47Å; L156-F182 VanDerWaalsContact CD1-CB 3.47Å; L156-F182 HydrophobicContact CD1-CG 4.26Å; Q180-F182 PolarHBondContact O-N 3.11Å
183	H	91.7	Very high	86.7	Confident	16 Å²	16	32.1 Å²	32.1	7%	0.074	20%	0.198	C	C	.	.			trans	-92.4	156	174.8	-69.2	60.7	0	0	0	111.9	K162 Y163 Y165 R166 S179 Q180 M181	K162-H183 PolarHBondContact O-CD2 2.99Å; Y163-H183 AromaticContact CD1-CE1 3.36Å; Y163-H183 WeakPolarHBondContact CD1-CE1 3.29Å; Y163-H183 AromaticContact CD1-ND1 3.56Å; Y163-H183 AromaticContact CD1-NE2 3.72Å; Y163-H183 AromaticContact CE1-CE1 3.46Å; Y163-H183 VanDerWaalsContact CE1-CE1 3.46Å; Y163-H183 WeakPolarHBondContact CE1-CE1 3.38Å; Y163-H183 AromaticContact CE1-ND1 3.94Å; Y163-H183 CarbonylContact O-C 3.37Å; Y163-H183 WeakPolarHBondContact O-CA 3.01Å; Y165-H183 WeakPolarHBondContact O-CB 3.42Å; Y165-H183 PolarHBondContact O-CD2 3.15Å; R166-H183 HydrophobicContact CB-CB 4.1Å; R166-H183 HydrophobicContact CG-CB 4.34Å; R166-H183 PolarHBondContact NH1-O 2.93Å; S179-H183 PolarHBondContact O-CE1 3.45Å; S179-H183 PolarHBondContact O-ND1 2.79Å; Q180-H183 VanDerWaalsContact O-CB 3.28Å; Q180-H183 WeakPolarHBondContact O-CB 3.42Å; Q180-H183 PolarHBondContact O-N 3.14Å; Q180-H183 VanDerWaalsContact O-N 3.09Å; Q180-H183 PolarHBondContact O-ND1 2.87Å; M181-H183 PolarHBondContact O-N 3.29Å; M181-H183 PolarHBondContact O-ND1 3.07Å
184	G	91.8	Very high	88.1	Confident	3 Å²	3	33.9 Å²	33.9	3%	0.031	20%	0.198	C	C	.	.	S	Bend	trans	85	-161.2	173.2	0	0	0	0	0	114.3	N154 Y163	N154-G184 WeakPolarHBondContact CB-O 3.29Å; N154-G184 PolarHBondContact ND2-O 3.35Å; Y163-G184 PolarHBondContact O-N 3.28Å
185	P	91.8	Very high	89.4	Confident	69 Å²	69	34.2 Å²	34.2	45%	0.448	20%	0.198	S	C	.	.			trans	-56.2	139.2	177.5	-24	34.2	0	0	0	112.1
186	A	96.1	Very high	90.5	Very high	0 Å²	0	34 Å²	34	0%	0	20%	0.197	C	C	.	.	B	Isolated β-bridge	trans	-116.5	148.7	174.8	0	0	0	0	0	110.1	L141 G142 G150 N151 V152 N154	L141-A186 HydrophobicContact CD1-CB 3.93Å; G142-A186 CarbonylContact O-C 3.58Å; G142-A186 VanDerWaalsContact O-CA 3.29Å; G142-A186 WeakPolarHBondContact O-CA 3.33Å; G150-A186 CarbonylContact C-O 3.5Å; G150-A186 VanDerWaalsContact CA-O 3.23Å; G150-A186 WeakPolarHBondContact CA-O 3.43Å; N151-A186 PolarHBondContact N-O 2.75Å; V152-A186 HydrophobicContact CG2-CB 4.22Å; V152-A186 PolarHBondContact N-O 3.02Å; N154-A186 HydrophobicContact CB-CB 4.05Å
187	S	97.8	Very high	91.4	Very high	0 Å²	0	35.2 Å²	35.2	0%	0	21%	0.209	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-138.9	137.7	179.2	-164.1	0	0	0	0	112	L141 G142 S149 N151 G209	L141-S187 WeakPolarHBondContact CA-O 3.31Å; G142-S187 PolarHBondContact N-O 2.82Å; G142-S187 PolarHBondContact O-N 2.67Å; S149-S187 PolarHBondContact OG-OG 3.41Å; N151-S187 PolarHBondContact ND2-OG 3.37Å; N151-S187 WeakPolarHBondContact OD1-CA 3.35Å; N151-S187 PolarHBondContact OD1-OG 2.78Å; S187-G209 VanDerWaalsContact OG-CA 3.22Å; S187-G209 WeakPolarHBondContact OG-CA 3.37Å; S187-G209 PolarHBondContact OG-O 2.8Å
188	L	98.2	Very high	92.4	Very high	70 Å²	70	38.8 Å²	38.8	37%	0.366	22%	0.217	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-69.3	136.6	163	-66.8	173.7	0	0	0	109.7	G140 L141 N151 V152 Y207	G140-L188 WeakPolarHBondContact O-CA 3.25Å; L141-L188 HydrophobicContact CD1-CD2 4.31Å; N151-L188 PolarHBondContact ND2-O 3.36Å; N151-L188 PolarHBondContact OD1-N 3.28Å; V152-L188 HydrophobicContact CG1-CD1 3.68Å; V152-L188 HydrophobicContact CG1-CG 3.71Å; V152-L188 HydrophobicContact CG2-CG 4.23Å; L188-Y207 WeakPolarHBondContact O-CE1 3.34Å
189	F	98.4	Very high	92.8	Very high	1 Å²	1	40.4 Å²	40.4	0%	0.004	21%	0.213	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-134.2	163.4	167.7	67.5	-96.6	0	0	0	108.8	T27 P28 V127 G140 L146 Y207	T27-F189 HydrophobicContact CG2-CB 3.87Å; T27-F189 HydrophobicContact CG2-CD2 3.78Å; T27-F189 HydrophobicContact CG2-CG 4.01Å; P28-F189 HydrophobicContact CG-CE2 4.05Å; P28-F189 HydrophobicContact CG-CZ 3.87Å; V127-F189 HydrophobicContact CB-CE2 4.44Å; V127-F189 HydrophobicContact CB-CZ 4.17Å; V127-F189 HydrophobicContact CG2-CE2 4.02Å; V127-F189 HydrophobicContact CG2-CZ 4.25Å; G140-F189 PolarHBondContact N-O 3.22Å; G140-F189 PolarHBondContact O-N 2.96Å; L146-F189 HydrophobicContact CD1-CE1 4.38Å; F189-Y207 WeakPolarHBondContact CA-O 3.45Å
190	G	98.3	Very high	93.4	Very high	7 Å²	7	39.2 Å²	39.2	7%	0.072	20%	0.204	C	C	.	.	E	Extended strand (participates in β ladder)	trans	172.4	-174.1	177.6	0	0	0	0	0	112.5	T138 E206 Y207	T138-G190 CarbonylContact O-C 3.55Å; T138-G190 WeakPolarHBondContact O-CA 3.33Å; G190-E206 CarbonylContact O-C 3.58Å; G190-Y207 PolarHBondContact N-O 2.83Å; G190-Y207 PolarHBondContact O-N 3.1Å
191	G	98.5	Very high	94.1	Very high	20 Å²	20	39.5 Å²	39.5	21%	0.206	21%	0.207	C	C	.	.	E	Extended strand (participates in β ladder)	trans	168.2	-170	-179.1	0	0	0	0	0	112.8	T138 L205	T138-G191 PolarHBondContact N-O 3.1Å; T138-G191 PolarHBondContact O-N 2.91Å; G191-L205 CarbonylContact C-O 3.55Å; G191-L205 WeakPolarHBondContact CA-O 3.45Å
192	V	98.4	Very high	94.4	Very high	27 Å²	27	37 Å²	37	16%	0.164	19%	0.194	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-136.4	132	178.8	60.8	0	0	0	0	109.7	F135 D136 F137 K204 L205	F135-V192 HydrophobicContact CB-CG2 4.01Å; F135-V192 HydrophobicContact CD1-CG2 3.83Å; F135-V192 HydrophobicContact CG-CG2 4.4Å; D136-V192 WeakPolarHBondContact O-CA 3.47Å; F137-V192 HydrophobicContact CD1-CB 4.23Å; F137-V192 HydrophobicContact CD1-CG2 4.09Å; F137-V192 HydrophobicContact CE1-CB 4.37Å; F137-V192 HydrophobicContact CE1-CG2 4Å; F137-V192 HydrophobicContact CZ-CG2 4.4Å; V192-K204 WeakPolarHBondContact O-CA 3.45Å; V192-L205 HydrophobicContact CG1-CB 3.98Å; V192-L205 PolarHBondContact N-O 3.06Å; V192-L205 PolarHBondContact O-N 3.02Å
193	E	97	Very high	94.7	Very high	19 Å²	19	37.7 Å²	37.7	9%	0.089	20%	0.2	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-96.1	130.5	160.9	-179.4	165.6	116.2	0	0	108.4	S15 L24 F135 D136 R202 L203 K204	S15-E193 VanDerWaalsContact CB-OE2 3.29Å; S15-E193 WeakPolarHBondContact CB-OE2 3.28Å; S15-E193 PolarHBondContact OG-OE2 2.93Å; L24-E193 HydrophobicContact CD2-CB 4.13Å; F135-E193 CarbonylContact C-O 3.54Å; F135-E193 WeakPolarHBondContact CA-O 3.39Å; D136-E193 HydrophobicContact CB-CB 4.46Å; D136-E193 PolarHBondContact N-O 3.43Å; D136-E193 PolarHBondContact O-N 3.31Å; E193-R202 WeakPolarHBondContact OE1-CD 3.24Å; E193-R202 IonicContact OE1-CZ 3.9Å; E193-R202 IonicContact OE1-NE 3.78Å; E193-R202 IonicContact OE1-NH1 3.66Å; E193-R202 PolarHBondContact OE1-NH1 3.49Å; E193-L203 CarbonylContact C-O 3.54Å; E193-L203 WeakPolarHBondContact CA-O 3.33Å; E193-K204 HydrophobicContact CG-CG 4.43Å; E193-K204 WeakPolarHBondContact OE2-CE 3.48Å; E193-K204 IonicContact OE2-NZ 3.22Å
194	Y	95.8	Very high	95	Very high	68 Å²	68	37.3 Å²	37.3	27%	0.267	20%	0.198	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-116.9	116.3	178	172.3	-124.1	0	0	0	109.8	P134 F135 T196 R202 L203	P134-Y194 HydrophobicContact CB-CD2 3.96Å; P134-Y194 HydrophobicContact CB-CE2 3.69Å; P134-Y194 HydrophobicContact CG-CD2 4.08Å; P134-Y194 HydrophobicContact CG-CE2 3.61Å; P134-Y194 WeakPolarHBondContact O-CA 3.48Å; F135-Y194 AromaticContact CD1-CD2 3.58Å; F135-Y194 HydrophobicContact CD1-CD2 3.58Å; F135-Y194 HydrophobicContact CD1-CE2 4.45Å; F135-Y194 HydrophobicContact CD1-CG 4.08Å; F135-Y194 AromaticContact CE1-CD2 3.29Å; F135-Y194 HydrophobicContact CE1-CD2 3.29Å; F135-Y194 AromaticContact CE1-CE2 3.86Å; F135-Y194 HydrophobicContact CE1-CE2 3.86Å; F135-Y194 AromaticContact CE1-CG 3.76Å; F135-Y194 HydrophobicContact CE1-CG 3.76Å; F135-Y194 HydrophobicContact CE2-CD2 4.36Å; F135-Y194 HydrophobicContact CE2-CE2 4.36Å; F135-Y194 HydrophobicContact CG-CD2 4.23Å; F135-Y194 AromaticContact CZ-CD2 3.73Å; F135-Y194 HydrophobicContact CZ-CD2 3.73Å; F135-Y194 AromaticContact CZ-CE2 3.8Å; F135-Y194 HydrophobicContact CZ-CE2 3.8Å; Y194-T196 HydrophobicContact CD1-CG2 3.99Å; Y194-T196 HydrophobicContact CE1-CG2 3.91Å; Y194-T196 PolarHBondContact O-N 2.91Å; Y194-R202 WeakPolarHBondContact O-CA 3.22Å; Y194-L203 HydrophobicContact CD1-CD1 4.34Å; Y194-L203 PolarHBondContact N-O 2.88Å; Y194-L203 PolarHBondContact O-N 3.43Å
195	Q	94	Very high	95.3	Very high	15 Å²	15	40.8 Å²	40.8	7%	0.07	22%	0.215	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-76.4	110.9	169	179.1	57.3	60.6	0	0	108.9	P134 Q199 L201	P134-Q195 WeakPolarHBondContact CB-O 3.42Å; P134-Q195 PolarHBondContact O-N 2.8Å; Q195-Q199 PolarHBondContact NE2-O 3.22Å; Q195-Q199 VanDerWaalsContact NE2-O 3.08Å; Q195-L201 PolarHBondContact NE2-O 3.5Å
196	T	94.2	Very high	95.7	Very high	12 Å²	12	37.5 Å²	37.5	7%	0.074	19%	0.194	C	C	.	.			trans	-72.2	160.2	179.3	79	0	0	0	0	110.5	Y194 W198 L201 L203	Y194-T196 HydrophobicContact CD1-CG2 3.99Å; Y194-T196 HydrophobicContact CE1-CG2 3.91Å; Y194-T196 PolarHBondContact O-N 2.91Å; T196-W198 PolarHBondContact O-N 3.06Å; T196-W198 VanDerWaalsContact O-N 3.16Å; T196-W198 PolarHBondContact OG1-N 2.87Å; T196-W198 PolarHBondContact OG1-O 3.12Å; T196-L201 WeakPolarHBondContact CB-O 3.5Å; T196-L201 HydrophobicContact CG2-CD2 4.27Å; T196-L201 HydrophobicContact CG2-CG 4.12Å; T196-L201 WeakPolarHBondContact CG2-O 3.42Å; T196-L201 PolarHBondContact N-O 3.39Å; T196-L201 PolarHBondContact OG1-O 2.92Å; T196-L203 HydrophobicContact CG2-CD1 3.96Å; T196-L203 HydrophobicContact CG2-CG 3.82Å
197	P	91.6	Very high	95.8	Very high	91 Å²	91	40.6 Å²	40.6	59%	0.591	21%	0.206	S	C	*	.	S	Bend	trans	-57.7	-25.7	171.7	-25.4	35.5	0	0	0	113	Q199	P197-Q199 PolarHBondContact O-N 3.06Å
198	W	90.1	Very high	95.6	Very high	145 Å²	145	40.7 Å²	40.7	55%	0.549	21%	0.206	S	C	.	.	S	Bend	trans	-80.4	98.3	169.7	-175	33.8	0	0	0	109.5	T196 P200 L201 Y232	T196-W198 PolarHBondContact O-N 3.06Å; T196-W198 VanDerWaalsContact O-N 3.16Å; T196-W198 PolarHBondContact OG1-N 2.87Å; T196-W198 PolarHBondContact OG1-O 3.12Å; W198-P200 VanDerWaalsContact C-N 3.32Å; W198-P200 VanDerWaalsContact CD1-CD 3.41Å; W198-P200 VanDerWaalsContact O-N 3.09Å; W198-L201 HydrophobicContact CD2-CB 4.14Å; W198-L201 HydrophobicContact CE3-CB 3.56Å; W198-L201 HydrophobicContact CE3-CD2 3.67Å; W198-L201 HydrophobicContact CE3-CG 4.23Å; W198-L201 HydrophobicContact CZ3-CB 4.12Å; W198-L201 HydrophobicContact CZ3-CD2 4Å; W198-L201 PolarHBondContact O-N 3.16Å; W198-Y232 AromaticContact CH2-CD2 3.98Å; W198-Y232 HydrophobicContact CH2-CD2 3.98Å; W198-Y232 AromaticContact CH2-CE2 3.4Å; W198-Y232 HydrophobicContact CH2-CE2 3.4Å; W198-Y232 HydrophobicContact CZ2-CD2 4.36Å; W198-Y232 AromaticContact CZ2-CE2 3.42Å; W198-Y232 HydrophobicContact CZ2-CE2 3.42Å; W198-Y232 VanDerWaalsContact CZ2-CE2 3.42Å; W198-Y232 HydrophobicContact CZ3-CD2 4.35Å; W198-Y232 HydrophobicContact CZ3-CE2 4.15Å
199	Q	84.5	Confident	95.5	Very high	75 Å²	75	37.3 Å²	37.3	35%	0.35	19%	0.189	S	C	.	.	T	Hydrogen-bonded Turn	trans	-48.2	-40.2	-169.7	-66.8	-61.1	-52.7	0	0	116	Q195 P197 L201	Q195-Q199 PolarHBondContact NE2-O 3.22Å; Q195-Q199 VanDerWaalsContact NE2-O 3.08Å; P197-Q199 PolarHBondContact O-N 3.06Å; Q199-L201 PolarHBondContact O-N 3.16Å
200	P	91.5	Very high	95.4	Very high	35 Å²	35	37.4 Å²	37.4	23%	0.227	19%	0.189	C	C	.	.	T	Hydrogen-bonded Turn	trans	-65.5	-18.9	177.6	-23.5	36.2	0	0	0	114.7	W198 Y232 R233	W198-P200 VanDerWaalsContact C-N 3.32Å; W198-P200 VanDerWaalsContact CD1-CD 3.41Å; W198-P200 VanDerWaalsContact O-N 3.09Å; P200-Y232 HydrophobicContact CB-CD2 3.94Å; P200-Y232 HydrophobicContact CB-CE2 3.51Å; P200-Y232 HydrophobicContact CG-CE2 4.4Å; P200-Y232 CarbonylContact O-C 3.51Å; P200-Y232 WeakPolarHBondContact O-CA 3.45Å; P200-R233 HydrophobicContact CB-CB 4.18Å; P200-R233 PolarHBondContact O-N 2.93Å
201	L	95.3	Very high	95.2	Very high	38 Å²	38	39 Å²	39	20%	0.199	20%	0.196	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-107.5	125.8	-171.9	-179.5	65.7	0	0	0	112.2	Q195 T196 W198 Q199 L203 A230 I231	Q195-L201 PolarHBondContact NE2-O 3.5Å; T196-L201 WeakPolarHBondContact CB-O 3.5Å; T196-L201 HydrophobicContact CG2-CD2 4.27Å; T196-L201 HydrophobicContact CG2-CG 4.12Å; T196-L201 WeakPolarHBondContact CG2-O 3.42Å; T196-L201 PolarHBondContact N-O 3.39Å; T196-L201 PolarHBondContact OG1-O 2.92Å; W198-L201 HydrophobicContact CD2-CB 4.14Å; W198-L201 HydrophobicContact CE3-CB 3.56Å; W198-L201 HydrophobicContact CE3-CD2 3.67Å; W198-L201 HydrophobicContact CE3-CG 4.23Å; W198-L201 HydrophobicContact CZ3-CB 4.12Å; W198-L201 HydrophobicContact CZ3-CD2 4Å; W198-L201 PolarHBondContact O-N 3.16Å; Q199-L201 PolarHBondContact O-N 3.16Å; L201-L203 HydrophobicContact CD1-CD2 4.27Å; L201-L203 HydrophobicContact CD2-CD2 4.47Å; L201-L203 HydrophobicContact CG-CD2 4.37Å; L201-A230 HydrophobicContact CD1-CB 4.15Å; L201-I231 WeakPolarHBondContact CA-O 3.43Å
202	R	95.4	Very high	94.9	Very high	9 Å²	9	38.2 Å²	38.2	3%	0.034	19%	0.187	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-118	145.6	167.5	-66.4	-175.5	-71.4	-174.4	-15.5	110.7	G13 E193 Y194 A230 I231	G13-R202 PolarHBondContact O-NH1 3.5Å; E193-R202 WeakPolarHBondContact OE1-CD 3.24Å; E193-R202 IonicContact OE1-CZ 3.9Å; E193-R202 IonicContact OE1-NE 3.78Å; E193-R202 IonicContact OE1-NH1 3.66Å; E193-R202 PolarHBondContact OE1-NH1 3.49Å; Y194-R202 WeakPolarHBondContact O-CA 3.22Å; R202-A230 CarbonylContact O-C 3.58Å; R202-A230 WeakPolarHBondContact O-CA 3.34Å; R202-I231 HydrophobicContact CB-CB 4.4Å; R202-I231 PolarHBondContact N-O 3.2Å; R202-I231 PolarHBondContact O-N 3.36Å
203	L	98	Very high	94.7	Very high	72 Å²	72	40.8 Å²	40.8	38%	0.377	20%	0.197	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-115.3	145.5	175.9	-59	178.1	0	0	0	109.9	E193 Y194 T196 L201 G229 A230	E193-L203 CarbonylContact C-O 3.54Å; E193-L203 WeakPolarHBondContact CA-O 3.33Å; Y194-L203 HydrophobicContact CD1-CD1 4.34Å; Y194-L203 PolarHBondContact N-O 2.88Å; Y194-L203 PolarHBondContact O-N 3.43Å; T196-L203 HydrophobicContact CG2-CD1 3.96Å; T196-L203 HydrophobicContact CG2-CG 3.82Å; L201-L203 HydrophobicContact CD1-CD2 4.27Å; L201-L203 HydrophobicContact CD2-CD2 4.47Å; L201-L203 HydrophobicContact CG-CD2 4.37Å; L203-G229 CarbonylContact C-O 3.57Å; L203-G229 WeakPolarHBondContact CA-O 2.85Å; L203-A230 HydrophobicContact CD2-CB 3.91Å
204	K	98.4	Very high	94.3	Very high	7 Å²	7	46.8 Å²	46.8	3%	0.03	23%	0.225	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-125.6	136	179	-69.6	179.7	167.9	-176.7	0	110	S15 G23 L24 L25 V192 E193 V228 G229 I231	S15-K204 WeakPolarHBondContact OG-CE 3.4Å; S15-K204 PolarHBondContact OG-NZ 3.25Å; G23-K204 PolarHBondContact O-NZ 3.05Å; L24-K204 HydrophobicContact CD2-CD 4.35Å; L24-K204 HydrophobicContact CD2-CG 4.28Å; L24-K204 PolarHBondContact O-NZ 2.88Å; L25-K204 HydrophobicContact CD2-CD 3.91Å; L25-K204 HydrophobicContact CG-CD 4.3Å; V192-K204 WeakPolarHBondContact O-CA 3.45Å; E193-K204 HydrophobicContact CG-CG 4.43Å; E193-K204 WeakPolarHBondContact OE2-CE 3.48Å; E193-K204 IonicContact OE2-NZ 3.22Å; K204-V228 WeakPolarHBondContact O-CA 3.49Å; K204-G229 PolarHBondContact N-O 2.93Å; K204-G229 PolarHBondContact O-N 2.85Å; K204-I231 HydrophobicContact CD-CD1 4.04Å
205	L	98.8	Very high	94.2	Very high	76 Å²	76	44 Å²	44	40%	0.398	22%	0.215	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-122.7	126.1	163.3	174.4	68.2	0	0	0	107.4	G191 V192 F226 V228	G191-L205 CarbonylContact C-O 3.55Å; G191-L205 WeakPolarHBondContact CA-O 3.45Å; V192-L205 HydrophobicContact CG1-CB 3.98Å; V192-L205 PolarHBondContact N-O 3.06Å; V192-L205 PolarHBondContact O-N 3.02Å; L205-F226 HydrophobicContact CD1-CB 4.45Å; L205-F226 HydrophobicContact CD1-CD1 4.13Å; L205-V228 HydrophobicContact CD1-CG1 3.81Å
206	E	98.7	Very high	94.1	Very high	0 Å²	0	45.6 Å²	45.6	0%	0	22%	0.222	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-128.3	138.1	-176.9	172.7	-176	88.8	0	0	110	L24 L25 Q26 T27 G190 F226 N227	L24-E206 HydrophobicContact CB-CB 4.36Å; L24-E206 HydrophobicContact CB-CG 4.47Å; L24-E206 VanDerWaalsContact CB-OE2 3.25Å; L24-E206 WeakPolarHBondContact CB-OE2 3.31Å; L24-E206 HydrophobicContact CD1-CB 4.18Å; L24-E206 HydrophobicContact CD1-CG 4.35Å; L25-E206 WeakPolarHBondContact CA-OE2 3.45Å; L25-E206 PolarHBondContact N-OE2 2.58Å; Q26-E206 WeakPolarHBondContact CB-OE1 3.37Å; Q26-E206 PolarHBondContact N-OE1 2.89Å; Q26-E206 PolarHBondContact N-OE2 3.33Å; T27-E206 WeakPolarHBondContact CB-OE2 3.49Å; T27-E206 HydrophobicContact CG2-CG 3.89Å; T27-E206 PolarHBondContact N-OE2 3.37Å; T27-E206 PolarHBondContact OG1-OE2 2.7Å; G190-E206 CarbonylContact O-C 3.58Å; E206-F226 CarbonylContact O-C 3.46Å; E206-F226 WeakPolarHBondContact O-CA 3.45Å; E206-N227 HydrophobicContact CB-CB 4.22Å; E206-N227 PolarHBondContact N-O 2.78Å; E206-N227 PolarHBondContact O-N 2.96Å; E206-N227 PolarHBondContact OE1-ND2 3.16Å
207	Y	98.5	Very high	94.1	Very high	66 Å²	66	45.4 Å²	45.4	26%	0.259	22%	0.221	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-107.3	121.9	164.7	174	-96.3	0	0	0	108.8	N151 L188 F189 G190 K225 F226	N151-Y207 PolarHBondContact ND2-OH 3.24Å; L188-Y207 WeakPolarHBondContact O-CE1 3.34Å; F189-Y207 WeakPolarHBondContact CA-O 3.45Å; G190-Y207 PolarHBondContact N-O 2.83Å; G190-Y207 PolarHBondContact O-N 3.1Å; Y207-K225 WeakPolarHBondContact CA-O 3.04Å; Y207-K225 HydrophobicContact CD2-CB 3.84Å; Y207-K225 HydrophobicContact CE2-CB 3.57Å; Y207-K225 HydrophobicContact CE2-CD 3.67Å; Y207-K225 HydrophobicContact CE2-CG 4.29Å; Y207-F226 HydrophobicContact CD2-CD1 4.36Å; Y207-F226 AromaticContact CD2-CE1 3.96Å; Y207-F226 HydrophobicContact CD2-CE1 3.96Å; Y207-F226 HydrophobicContact CD2-CE2 4.17Å; Y207-F226 AromaticContact CD2-CZ 3.86Å; Y207-F226 HydrophobicContact CD2-CZ 3.86Å; Y207-F226 HydrophobicContact CG-CE1 4.36Å
208	E	95.3	Very high	94.1	Very high	1 Å²	1	42 Å²	42	1%	0.005	20%	0.202	C	C	.	.			trans	-104.3	140.3	-172	-161.5	-166.4	149	0	0	112.7	Q26 T27 N210 Y212 K225 N227	Q26-E208 HydrophobicContact CB-CG 4.03Å; T27-E208 HydrophobicContact CG2-CG 4.16Å; E208-N210 HydrophobicContact CG-CB 4.36Å; E208-N210 WeakPolarHBondContact OE1-CB 3.41Å; E208-Y212 WeakPolarHBondContact OE1-CE2 3.27Å; E208-Y212 PolarHBondContact OE1-OH 2.83Å; E208-Y212 PolarHBondContact OE2-OH 3.38Å; E208-K225 PolarHBondContact N-O 2.62Å; E208-N227 PolarHBondContact OE2-ND2 3.09Å; E208-N227 VanDerWaalsContact OE2-ND2 3.09Å
209	G	95.2	Very high	94.3	Very high	0 Å²	0	42.4 Å²	42.4	0%	0	21%	0.208	C	C	.	.			trans	-85.4	-5.6	-179.3	0	0	0	0	0	115.6	L146 S149 S187	L146-G209 CarbonylContact O-C 3.32Å; L146-G209 VanDerWaalsContact O-CA 3.25Å; L146-G209 WeakPolarHBondContact O-CA 3.4Å; S149-G209 WeakPolarHBondContact CB-O 3.31Å; S149-G209 PolarHBondContact N-O 2.99Å; S149-G209 PolarHBondContact OG-O 2.97Å; S187-G209 VanDerWaalsContact OG-CA 3.22Å; S187-G209 WeakPolarHBondContact OG-CA 3.37Å; S187-G209 PolarHBondContact OG-O 2.8Å
210	N	95.2	Very high	94.8	Very high	3 Å²	3	39.6 Å²	39.6	2%	0.016	20%	0.195	C	C	.	.			trans	-82.8	150.9	178.2	-163.8	-0.6	0	0	0	112.3	Y145 T148 E208 Y212 Q222	Y145-N210 WeakPolarHBondContact CE1-ND2 3.37Å; Y145-N210 WeakPolarHBondContact O-CB 3.33Å; Y145-N210 VanDerWaalsContact O-CG 3.26Å; Y145-N210 PolarHBondContact OH-ND2 3.11Å; T148-N210 WeakPolarHBondContact OG1-CA 3.33Å; T148-N210 PolarHBondContact OG1-OD1 3.37Å; E208-N210 HydrophobicContact CG-CB 4.36Å; E208-N210 WeakPolarHBondContact OE1-CB 3.41Å; N210-Y212 HydrophobicContact CB-CD2 4.18Å; N210-Y212 HydrophobicContact CB-CE2 3.92Å; N210-Y212 WeakPolarHBondContact ND2-CD1 3.42Å; N210-Y212 WeakPolarHBondContact ND2-CE1 3.41Å; N210-Y212 PolarHBondContact OD1-N 2.9Å; N210-Q222 PolarHBondContact O-NE2 2.88Å; N210-Q222 PolarHBondContact O-OE1 2.93Å
211	N	94.4	Very high	95	Very high	41 Å²	41	43.5 Å²	43.5	22%	0.219	21%	0.211	C	C	.	.			trans	-110.4	-9.5	175.5	73.2	23	0	0	0	114.1	T148 Q213	T148-N211 PolarHBondContact O-ND2 3.25Å; T148-N211 PolarHBondContact OG1-N 3.16Å; T148-N211 PolarHBondContact OG1-OD1 2.76Å; N211-Q213 HydrophobicContact CB-CG 4.26Å; N211-Q213 PolarHBondContact O-N 2.8Å; N211-Q213 PolarHBondContact O-NE2 3.45Å; N211-Q213 WeakPolarHBondContact OD1-CB 3.42Å; N211-Q213 PolarHBondContact OD1-N 2.8Å
212	Y	93.6	Very high	95.1	Very high	2 Å²	2	43.8 Å²	43.8	1%	0.008	21%	0.211	C	C	.	.			trans	54.7	19.2	178.2	-58.8	-89.1	0	0	0	116.5	Y145 E208 N210 L220 Q222 R246	Y145-Y212 WeakPolarHBondContact OH-CE1 3.11Å; E208-Y212 WeakPolarHBondContact OE1-CE2 3.27Å; E208-Y212 PolarHBondContact OE1-OH 2.83Å; E208-Y212 PolarHBondContact OE2-OH 3.38Å; N210-Y212 HydrophobicContact CB-CD2 4.18Å; N210-Y212 HydrophobicContact CB-CE2 3.92Å; N210-Y212 WeakPolarHBondContact ND2-CD1 3.42Å; N210-Y212 WeakPolarHBondContact ND2-CE1 3.41Å; N210-Y212 PolarHBondContact OD1-N 2.9Å; Y212-L220 HydrophobicContact CD1-CB 4.5Å; Y212-L220 HydrophobicContact CD1-CD1 3.86Å; Y212-L220 HydrophobicContact CE1-CD1 4.42Å; Y212-L220 HydrophobicContact CG-CB 4.47Å; Y212-L220 PolarHBondContact O-N 2.88Å; Y212-Q222 HydrophobicContact CD2-CB 4.44Å; Y212-Q222 HydrophobicContact CD2-CG 4.39Å; Y212-R246 HydrophobicContact CD2-CG 4.21Å; Y212-R246 HydrophobicContact CE2-CG 3.72Å
213	Q	93	Very high	95.1	Very high	81 Å²	81	50 Å²	50	38%	0.379	24%	0.238	S	C	.	.	T	Hydrogen-bonded Turn	trans	-78	-24.7	-177.3	-61.4	-52.9	-65.7	0	0	113.4	N211	N211-Q213 HydrophobicContact CB-CG 4.26Å; N211-Q213 PolarHBondContact O-N 2.8Å; N211-Q213 PolarHBondContact O-NE2 3.45Å; N211-Q213 WeakPolarHBondContact OD1-CB 3.42Å; N211-Q213 PolarHBondContact OD1-N 2.8Å
214	Q	88.7	Confident	95.1	Very high	145 Å²	145	48.5 Å²	48.5	68%	0.678	23%	0.234	S	C	*	.	T	Hydrogen-bonded Turn	trans	-119.4	22	-176.4	-64.6	176.4	-27.1	0	0	111.6
215	D	93	Very high	95	Very high	10 Å²	10	51.2 Å²	51.2	5%	0.053	25%	0.246	C	C	.	.			trans	-67.2	140.3	-176.6	-173.9	-73.7	0	0	0	111.3	Y48 Y145 A217 G218 L220	Y48-D215 PolarHBondContact OH-OD1 3.1Å; Y145-D215 PolarHBondContact OH-OD2 3.28Å; D215-A217 VanDerWaalsContact C-N 3.28Å; D215-A217 PolarHBondContact O-N 2.73Å; D215-A217 WeakPolarHBondContact OD1-CB 3.03Å; D215-A217 PolarHBondContact OD1-N 3.01Å; D215-G218 WeakPolarHBondContact CB-O 3.38Å; D215-G218 CarbonylContact O-C 3.45Å; D215-G218 WeakPolarHBondContact O-CA 3.25Å; D215-G218 PolarHBondContact O-N 2.99Å; D215-L220 HydrophobicContact CB-CD1 4.38Å; D215-L220 HydrophobicContact CB-CG 4.16Å
216	F	92.1	Very high	95	Very high	49 Å²	49	52.9 Å²	52.9	22%	0.215	25%	0.25	C	C	.	.	T	Hydrogen-bonded Turn	trans	-64.9	-31.5	-174.3	-173.1	-105.3	0	0	0	112.7	V70 R73 Y87 L120 G218	V70-F216 HydrophobicContact CB-CD1 4.43Å; V70-F216 HydrophobicContact CG1-CD1 3.98Å; V70-F216 HydrophobicContact CG1-CE1 4.44Å; V70-F216 HydrophobicContact CG2-CD1 4.08Å; V70-F216 HydrophobicContact CG2-CE1 4.38Å; R73-F216 HydrophobicContact CB-CE1 4.14Å; R73-F216 HydrophobicContact CG-CD1 4.13Å; R73-F216 HydrophobicContact CG-CE1 3.83Å; R73-F216 HydrophobicContact CG-CZ 4.45Å; R73-F216 VanDerWaalsContact CZ-O 3.25Å; R73-F216 PolarHBondContact NE-O 3.23Å; R73-F216 PolarHBondContact NH2-O 3.1Å; Y87-F216 HydrophobicContact CD1-CD1 4.43Å; Y87-F216 AromaticContact CD1-CE1 3.61Å; Y87-F216 HydrophobicContact CD1-CE1 3.61Å; Y87-F216 HydrophobicContact CD1-CZ 4.28Å; Y87-F216 HydrophobicContact CD2-CE1 4.26Å; Y87-F216 HydrophobicContact CD2-CZ 4.28Å; Y87-F216 AromaticContact CE1-CE1 3.87Å; Y87-F216 HydrophobicContact CE1-CE1 3.87Å; Y87-F216 HydrophobicContact CE1-CZ 4.24Å; Y87-F216 HydrophobicContact CE2-CE1 4.49Å; Y87-F216 HydrophobicContact CE2-CZ 4.24Å; Y87-F216 AromaticContact CG-CE1 3.82Å; Y87-F216 HydrophobicContact CG-CE1 3.82Å; Y87-F216 HydrophobicContact CG-CZ 4.29Å; L120-F216 HydrophobicContact CD1-CB 3.99Å; L120-F216 HydrophobicContact CD1-CD1 3.51Å; L120-F216 HydrophobicContact CD1-CD2 4.27Å; L120-F216 HydrophobicContact CD1-CE1 4.01Å; L120-F216 HydrophobicContact CD1-CG 3.66Å; L120-F216 HydrophobicContact CD2-CB 3.83Å; L120-F216 HydrophobicContact CD2-CD1 4.27Å; L120-F216 HydrophobicContact CD2-CD2 3.47Å; L120-F216 VanDerWaalsContact CD2-CD2 3.47Å; L120-F216 HydrophobicContact CD2-CE2 4.06Å; L120-F216 HydrophobicContact CD2-CG 3.59Å; L120-F216 HydrophobicContact CG-CB 4.34Å; L120-F216 HydrophobicContact CG-CG 4.22Å; F216-G218 PolarHBondContact O-N 2.84Å; F216-G218 VanDerWaalsContact O-N 3.14Å
217	A	94.2	Very high	95	Very high	7 Å²	7	52.9 Å²	52.9	6%	0.058	25%	0.25	C	C	.	.	T	Hydrogen-bonded Turn	trans	-66.5	-10.6	172.7	0	0	0	0	0	112.7	Q47 Y48 V70 T72 R73 D215 L220	Q47-A217 HydrophobicContact CB-CB 4.01Å; Y48-A217 HydrophobicContact CE1-CB 4.16Å; Y48-A217 HydrophobicContact CE2-CB 3.86Å; Y48-A217 WeakPolarHBondContact OH-CB 3.33Å; Y48-A217 PolarHBondContact OH-N 3.46Å; V70-A217 HydrophobicContact CG1-CB 3.98Å; T72-A217 WeakPolarHBondContact OG1-CA 3.31Å; T72-A217 VanDerWaalsContact OG1-CB 3.32Å; T72-A217 WeakPolarHBondContact OG1-CB 3.17Å; T72-A217 PolarHBondContact OG1-O 3.37Å; R73-A217 PolarHBondContact NH1-O 2.93Å; R73-A217 PolarHBondContact NH2-O 3.37Å; D215-A217 VanDerWaalsContact C-N 3.28Å; D215-A217 PolarHBondContact O-N 2.73Å; D215-A217 WeakPolarHBondContact OD1-CB 3.03Å; D215-A217 PolarHBondContact OD1-N 3.01Å; A217-L220 HydrophobicContact CB-CD2 4.29Å
218	G	92.8	Very high	95	Very high	19 Å²	19	53.1 Å²	53.1	20%	0.196	26%	0.258	C	S	.	.			trans	115.8	170.8	-175.4	0	0	0	0	0	110.2	D215 F216 L220	D215-G218 WeakPolarHBondContact CB-O 3.38Å; D215-G218 CarbonylContact O-C 3.45Å; D215-G218 WeakPolarHBondContact O-CA 3.25Å; D215-G218 PolarHBondContact O-N 2.99Å; F216-G218 PolarHBondContact O-N 2.84Å; F216-G218 VanDerWaalsContact O-N 3.14Å; G218-L220 VanDerWaalsContact O-CD2 3.27Å; G218-L220 WeakPolarHBondContact O-CD2 3.5Å; G218-L220 WeakPolarHBondContact O-CG 3.44Å; G218-L220 PolarHBondContact O-N 2.69Å
219	K	94	Very high	95.2	Very high	155 Å²	155	53.5 Å²	53.5	67%	0.674	26%	0.263	S	S	*	.			trans	-58.8	113	174.6	173.6	170.4	169.2	152.4	0	109.8
220	L	95.3	Very high	95.3	Very high	15 Å²	15	55 Å²	55	8%	0.079	28%	0.275	C	S	.	.			trans	-91.3	136.9	178	-46.4	-175.7	0	0	0	109.4	Q47 Y48 Y212 D215 A217 G218 Q222	Q47-L220 HydrophobicContact CG-CD1 4.23Å; Q47-L220 HydrophobicContact CG-CD2 3.78Å; Y48-L220 HydrophobicContact CE2-CD1 4.47Å; Y212-L220 HydrophobicContact CD1-CB 4.5Å; Y212-L220 HydrophobicContact CD1-CD1 3.86Å; Y212-L220 HydrophobicContact CE1-CD1 4.42Å; Y212-L220 HydrophobicContact CG-CB 4.47Å; Y212-L220 PolarHBondContact O-N 2.88Å; D215-L220 HydrophobicContact CB-CD1 4.38Å; D215-L220 HydrophobicContact CB-CG 4.16Å; A217-L220 HydrophobicContact CB-CD2 4.29Å; G218-L220 VanDerWaalsContact O-CD2 3.27Å; G218-L220 WeakPolarHBondContact O-CD2 3.5Å; G218-L220 WeakPolarHBondContact O-CG 3.44Å; G218-L220 PolarHBondContact O-N 2.69Å; L220-Q222 PolarHBondContact O-N 2.85Å
221	E	95.6	Very high	95.4	Very high	118 Å²	118	55 Å²	55	55%	0.551	28%	0.275	S	S	*	.			trans	-70.1	130.1	174	-172.9	-171.1	-161.5	0	0	109.2	K223 N248	E221-K223 HydrophobicContact CG-CG 4.27Å; E221-K223 WeakPolarHBondContact OE1-CE 3.46Å; E221-K223 IonicContact OE1-NZ 3.31Å; E221-K223 VanDerWaalsContact OE2-CE 3.25Å; E221-K223 WeakPolarHBondContact OE2-CE 3.46Å; E221-K223 IonicContact OE2-NZ 2.85Å; E221-N248 PolarHBondContact O-ND2 2.81Å; E221-N248 PolarHBondContact OE2-ND2 2.87Å
222	Q	96.2	Very high	95.4	Very high	44 Å²	44	57.5 Å²	57.5	21%	0.206	28%	0.282	C	S	.	.			trans	-122.7	101.3	175.1	-174.2	-173.7	42.2	0	0	108.9	N210 Y212 L220 S224 R246	N210-Q222 PolarHBondContact O-NE2 2.88Å; N210-Q222 PolarHBondContact O-OE1 2.93Å; Y212-Q222 HydrophobicContact CD2-CB 4.44Å; Y212-Q222 HydrophobicContact CD2-CG 4.39Å; L220-Q222 PolarHBondContact O-N 2.85Å; Q222-S224 VanDerWaalsContact CG-O 3.23Å; Q222-S224 WeakPolarHBondContact CG-O 3.07Å; Q222-R246 HydrophobicContact CG-CB 4.24Å; Q222-R246 HydrophobicContact CG-CG 4.32Å
223	K	97	Very high	95.4	Very high	138 Å²	138	58.8 Å²	58.8	60%	0.6	29%	0.287	S	S	*	.	S	Bend	trans	-82.2	-24.5	177.7	-63	-173.9	-176.8	173.2	0	112.5	E221 R246 N248	E221-K223 HydrophobicContact CG-CG 4.27Å; E221-K223 WeakPolarHBondContact OE1-CE 3.46Å; E221-K223 IonicContact OE1-NZ 3.31Å; E221-K223 VanDerWaalsContact OE2-CE 3.25Å; E221-K223 WeakPolarHBondContact OE2-CE 3.46Å; E221-K223 IonicContact OE2-NZ 2.85Å; K223-R246 WeakPolarHBondContact CA-O 3.35Å; K223-R246 PolarHBondContact N-O 3.31Å; K223-N248 HydrophobicContact CD-CB 4.18Å; K223-N248 HydrophobicContact CG-CB 4.49Å
224	S	97.3	Very high	95.5	Very high	41 Å²	41	59.1 Å²	59.1	29%	0.287	29%	0.294	S	S	.	.			trans	-144.3	145.7	178.8	-179	0	0	0	0	110.1	Q222 F226 R246	Q222-S224 VanDerWaalsContact CG-O 3.23Å; Q222-S224 WeakPolarHBondContact CG-O 3.07Å; S224-F226 VanDerWaalsContact C-N 3.3Å; S224-F226 PolarHBondContact OG-N 2.6Å; S224-F226 PolarHBondContact OG-O 3.49Å; S224-R246 PolarHBondContact N-O 2.98Å; S224-R246 CarbonylContact O-C 3.55Å; S224-R246 WeakPolarHBondContact O-CA 3.28Å
225	K	96.7	Very high	95.6	Very high	64 Å²	64	54.4 Å²	54.4	28%	0.278	28%	0.276	S	S	.	.	S	Bend	trans	-85.6	-6.3	166.8	-68.2	-170.1	175.3	-171.3	0	113.1	Y207 E208	Y207-K225 WeakPolarHBondContact CA-O 3.04Å; Y207-K225 HydrophobicContact CD2-CB 3.84Å; Y207-K225 HydrophobicContact CE2-CB 3.57Å; Y207-K225 HydrophobicContact CE2-CD 3.67Å; Y207-K225 HydrophobicContact CE2-CG 4.29Å; E208-K225 PolarHBondContact N-O 2.62Å
226	F	98.4	Very high	95.4	Very high	111 Å²	111	59.3 Å²	59.3	49%	0.487	30%	0.302	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-94.3	127.7	176.3	-67.6	-82.5	0	0	0	110.6	L205 E206 Y207 S224	L205-F226 HydrophobicContact CD1-CB 4.45Å; L205-F226 HydrophobicContact CD1-CD1 4.13Å; E206-F226 CarbonylContact O-C 3.46Å; E206-F226 WeakPolarHBondContact O-CA 3.45Å; Y207-F226 HydrophobicContact CD2-CD1 4.36Å; Y207-F226 AromaticContact CD2-CE1 3.96Å; Y207-F226 HydrophobicContact CD2-CE1 3.96Å; Y207-F226 HydrophobicContact CD2-CE2 4.17Å; Y207-F226 AromaticContact CD2-CZ 3.86Å; Y207-F226 HydrophobicContact CD2-CZ 3.86Å; Y207-F226 HydrophobicContact CG-CE1 4.36Å; S224-F226 VanDerWaalsContact C-N 3.3Å; S224-F226 PolarHBondContact OG-N 2.6Å; S224-F226 PolarHBondContact OG-O 3.49Å
227	N	98.6	Very high	95.4	Very high	0 Å²	0	64.5 Å²	64.5	0%	0	32%	0.32	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-109.9	142.2	173.9	-57.5	-31.1	0	0	0	108.5	L25 E206 E208 Y244 E245 R246	L25-N227 HydrophobicContact CD1-CB 3.64Å; E206-N227 HydrophobicContact CB-CB 4.22Å; E206-N227 PolarHBondContact N-O 2.78Å; E206-N227 PolarHBondContact O-N 2.96Å; E206-N227 PolarHBondContact OE1-ND2 3.16Å; E208-N227 PolarHBondContact OE2-ND2 3.09Å; E208-N227 VanDerWaalsContact OE2-ND2 3.09Å; N227-Y244 WeakPolarHBondContact CA-O 3.15Å; N227-E245 HydrophobicContact CB-CB 4.43Å; N227-E245 HydrophobicContact CB-CG 3.82Å; N227-E245 WeakPolarHBondContact OD1-CA 3.25Å; N227-R246 PolarHBondContact OD1-N 3.44Å
228	V	98.7	Very high	95.4	Very high	71 Å²	71	64.6 Å²	64.6	43%	0.43	32%	0.321	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-124.2	141.6	175.7	-66.6	0	0	0	0	109.9	K204 L205 S243 Y244	K204-V228 WeakPolarHBondContact O-CA 3.49Å; L205-V228 HydrophobicContact CD1-CG1 3.81Å; V228-S243 CarbonylContact O-C 3.51Å; V228-S243 VanDerWaalsContact O-CA 3.25Å; V228-S243 WeakPolarHBondContact O-CA 3.39Å; V228-S243 WeakPolarHBondContact O-CB 3.35Å; V228-Y244 PolarHBondContact N-O 2.5Å; V228-Y244 PolarHBondContact O-N 2.84Å
229	G	98.5	Very high	95.6	Very high	10 Å²	10	63.8 Å²	63.8	10%	0.103	31%	0.312	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-147.8	159.3	-178.7	0	0	0	0	0	113.7	L203 K204 L242	L203-G229 CarbonylContact C-O 3.57Å; L203-G229 WeakPolarHBondContact CA-O 2.85Å; K204-G229 PolarHBondContact N-O 2.93Å; K204-G229 PolarHBondContact O-N 2.85Å; G229-L242 CarbonylContact C-O 3.57Å; G229-L242 VanDerWaalsContact CA-O 3.25Å; G229-L242 WeakPolarHBondContact CA-O 3.45Å
230	A	98.2	Very high	95.8	Very high	32 Å²	32	58.5 Å²	58.5	26%	0.264	29%	0.293	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-131.1	138.7	175.4	0	0	0	0	0	109.5	L201 R202 L203 L242	L201-A230 HydrophobicContact CD1-CB 4.15Å; R202-A230 CarbonylContact O-C 3.58Å; R202-A230 WeakPolarHBondContact O-CA 3.34Å; L203-A230 HydrophobicContact CD2-CB 3.91Å; A230-L242 PolarHBondContact N-O 2.94Å; A230-L242 PolarHBondContact O-N 2.82Å
231	I	96.7	Very high	95.9	Very high	3 Å²	3	58.1 Å²	58.1	2%	0.015	29%	0.291	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-122.6	123.6	175.9	-54.9	-176.9	0	0	0	107.9	L201 R202 K204 D239 V240 N241	L201-I231 WeakPolarHBondContact CA-O 3.43Å; R202-I231 HydrophobicContact CB-CB 4.4Å; R202-I231 PolarHBondContact N-O 3.2Å; R202-I231 PolarHBondContact O-N 3.36Å; K204-I231 HydrophobicContact CD-CD1 4.04Å; I231-D239 HydrophobicContact CG2-CB 3.89Å; I231-V240 CarbonylContact C-O 3.5Å; I231-V240 WeakPolarHBondContact CA-O 3.35Å; I231-N241 WeakPolarHBondContact CD1-ND2 3.15Å
232	Y	95.8	Very high	96	Very high	93 Å²	93	57.4 Å²	57.4	37%	0.365	29%	0.29	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-112.1	118.5	177.1	-175.5	-101.2	0	0	0	110.8	W198 P200 V234 D239 V240	W198-Y232 AromaticContact CH2-CD2 3.98Å; W198-Y232 HydrophobicContact CH2-CD2 3.98Å; W198-Y232 AromaticContact CH2-CE2 3.4Å; W198-Y232 HydrophobicContact CH2-CE2 3.4Å; W198-Y232 HydrophobicContact CZ2-CD2 4.36Å; W198-Y232 AromaticContact CZ2-CE2 3.42Å; W198-Y232 HydrophobicContact CZ2-CE2 3.42Å; W198-Y232 VanDerWaalsContact CZ2-CE2 3.42Å; W198-Y232 HydrophobicContact CZ3-CD2 4.35Å; W198-Y232 HydrophobicContact CZ3-CE2 4.15Å; P200-Y232 HydrophobicContact CB-CD2 3.94Å; P200-Y232 HydrophobicContact CB-CE2 3.51Å; P200-Y232 HydrophobicContact CG-CE2 4.4Å; P200-Y232 CarbonylContact O-C 3.51Å; P200-Y232 WeakPolarHBondContact O-CA 3.45Å; Y232-V234 HydrophobicContact CD1-CG2 3.87Å; Y232-V234 HydrophobicContact CE1-CG2 4.14Å; Y232-V234 PolarHBondContact O-N 3Å; Y232-D239 WeakPolarHBondContact O-CA 3.31Å; Y232-V240 PolarHBondContact N-O 2.97Å; Y232-V240 PolarHBondContact O-N 3Å
233	R	93.5	Very high	96.1	Very high	28 Å²	28	55.7 Å²	55.7	11%	0.106	28%	0.283	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-76.6	104.7	174	178.9	62.3	55.7	111.7	-10.1	109.3	P200 T235 D239	P200-R233 HydrophobicContact CB-CB 4.18Å; P200-R233 PolarHBondContact O-N 2.93Å; R233-T235 WeakPolarHBondContact CD-O 3.48Å; R233-D239 IonicContact CZ-OD1 3Å; R233-D239 VanDerWaalsContact CZ-OD1 3.32Å; R233-D239 IonicContact CZ-OD2 3.4Å; R233-D239 IonicContact NE-OD1 3.44Å; R233-D239 PolarHBondContact NE-OD1 2.91Å; R233-D239 IonicContact NE-OD2 3.59Å; R233-D239 IonicContact NH2-OD1 3.19Å; R233-D239 PolarHBondContact NH2-OD1 3Å; R233-D239 VanDerWaalsContact NH2-OD1 3.16Å; R233-D239 IonicContact NH2-OD2 3.47Å; R233-D239 PolarHBondContact NH2-OD2 2.74Å
234	V	93.7	Very high	96.2	Very high	89 Å²	89	53.1 Å²	53.1	54%	0.539	27%	0.27	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-74.1	-38.4	177.5	-179	0	0	0	0	110.6	Y232 A238 V240	Y232-V234 HydrophobicContact CD1-CG2 3.87Å; Y232-V234 HydrophobicContact CE1-CG2 4.14Å; Y232-V234 PolarHBondContact O-N 3Å; V234-A238 PolarHBondContact N-O 2.76Å; V234-V240 HydrophobicContact CG2-CB 4.43Å; V234-V240 HydrophobicContact CG2-CG2 3.66Å
235	T	91.8	Very high	96.2	Very high	46 Å²	46	51.2 Å²	51.2	28%	0.282	26%	0.256	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-162.9	162.3	-177.4	173.2	0	0	0	0	107.8	R233 W237 A238	R233-T235 WeakPolarHBondContact CD-O 3.48Å; T235-W237 HydrophobicContact CG2-CD2 3.56Å; T235-W237 HydrophobicContact CG2-CE3 4.14Å; T235-W237 HydrophobicContact CG2-CG 3.9Å; T235-W237 HydrophobicContact CG2-CH2 4.2Å; T235-W237 HydrophobicContact CG2-CZ2 3.66Å; T235-W237 HydrophobicContact CG2-CZ3 4.42Å; T235-W237 PolarHBondContact O-N 3.35Å; T235-W237 PolarHBondContact OG1-NE1 3.28Å; T235-A238 HydrophobicContact CG2-CB 3.76Å; T235-A238 PolarHBondContact N-O 2.72Å; T235-A238 PolarHBondContact O-N 3.08Å
236	D	88.5	Confident	96.2	Very high	113 Å²	113	48.3 Å²	48.3	60%	0.604	24%	0.244	S	C	*	.	T	Hydrogen-bonded Turn	trans	-53.8	-26.7	-174.5	-64.7	-23.9	0	0	0	114.3	I12	I12-D236 WeakPolarHBondContact CD1-OD1 3.47Å
237	W	91.6	Very high	96.1	Very high	158 Å²	158	43.8 Å²	43.8	60%	0.598	23%	0.228	S	C	*	.	T	Hydrogen-bonded Turn	trans	-98.6	-1.6	178.8	58.3	-96.9	0	0	0	115.3	T235 L256 R257	T235-W237 HydrophobicContact CG2-CD2 3.56Å; T235-W237 HydrophobicContact CG2-CE3 4.14Å; T235-W237 HydrophobicContact CG2-CG 3.9Å; T235-W237 HydrophobicContact CG2-CH2 4.2Å; T235-W237 HydrophobicContact CG2-CZ2 3.66Å; T235-W237 HydrophobicContact CG2-CZ3 4.42Å; T235-W237 PolarHBondContact O-N 3.35Å; T235-W237 PolarHBondContact OG1-NE1 3.28Å; W237-L256 HydrophobicContact CE3-CD2 4Å; W237-L256 HydrophobicContact CZ3-CD2 3.81Å; W237-L256 CarbonylContact O-C 3.48Å; W237-L256 WeakPolarHBondContact O-CA 3.35Å; W237-R257 WeakPolarHBondContact CB-O 3.32Å; W237-R257 PolarHBondContact O-N 2.69Å
238	A	95.3	Very high	96.1	Very high	9 Å²	9	45.8 Å²	45.8	7%	0.074	24%	0.239	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-143.5	131.8	-180	0	0	0	0	0	115.3	V234 T235 T255 L256	V234-A238 PolarHBondContact N-O 2.76Å; T235-A238 HydrophobicContact CG2-CB 3.76Å; T235-A238 PolarHBondContact N-O 2.72Å; T235-A238 PolarHBondContact O-N 3.08Å; A238-T255 CarbonylContact C-O 3.5Å; A238-T255 VanDerWaalsContact CA-O 3.32Å; A238-T255 WeakPolarHBondContact CA-O 3.43Å; A238-L256 HydrophobicContact CB-CD2 3.94Å
239	D	95.8	Very high	96	Very high	2 Å²	2	42.7 Å²	42.7	1%	0.011	22%	0.22	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-110.6	144.9	170.3	-67.9	-46.7	0	0	0	110.6	I231 Y232 R233 V254 T255 R257	I231-D239 HydrophobicContact CG2-CB 3.89Å; Y232-D239 WeakPolarHBondContact O-CA 3.31Å; R233-D239 IonicContact CZ-OD1 3Å; R233-D239 VanDerWaalsContact CZ-OD1 3.32Å; R233-D239 IonicContact CZ-OD2 3.4Å; R233-D239 IonicContact NE-OD1 3.44Å; R233-D239 PolarHBondContact NE-OD1 2.91Å; R233-D239 IonicContact NE-OD2 3.59Å; R233-D239 IonicContact NH2-OD1 3.19Å; R233-D239 PolarHBondContact NH2-OD1 3Å; R233-D239 VanDerWaalsContact NH2-OD1 3.16Å; R233-D239 IonicContact NH2-OD2 3.47Å; R233-D239 PolarHBondContact NH2-OD2 2.74Å; D239-V254 WeakPolarHBondContact O-CA 3.4Å; D239-T255 PolarHBondContact N-O 3.01Å; D239-T255 PolarHBondContact O-N 2.95Å; D239-R257 IonicContact OD2-CZ 3.61Å; D239-R257 IonicContact OD2-NE 3.54Å; D239-R257 PolarHBondContact OD2-NE 3.39Å; D239-R257 IonicContact OD2-NH2 3.62Å; D239-R257 PolarHBondContact OD2-NH2 2.89Å
240	V	97.9	Very high	96	Very high	44 Å²	44	49.9 Å²	49.9	27%	0.267	25%	0.249	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-110.8	136.4	164.8	173.7	0	0	0	0	108.9	I231 Y232 V234 F252 G253	I231-V240 CarbonylContact C-O 3.5Å; I231-V240 WeakPolarHBondContact CA-O 3.35Å; Y232-V240 PolarHBondContact N-O 2.97Å; Y232-V240 PolarHBondContact O-N 3Å; V234-V240 HydrophobicContact CG2-CB 4.43Å; V234-V240 HydrophobicContact CG2-CG2 3.66Å; V240-F252 HydrophobicContact CG1-CD2 4.42Å; V240-F252 HydrophobicContact CG1-CE2 3.74Å; V240-G253 WeakPolarHBondContact CA-O 3.34Å
241	N	97.2	Very high	96	Very high	7 Å²	7	48.6 Å²	48.6	4%	0.037	24%	0.237	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-119.5	135.1	-175.4	-63.9	63.8	0	0	0	110.1	R43 I231 F252 G253	R43-N241 PolarHBondContact NH2-ND2 3.44Å; I231-N241 WeakPolarHBondContact CD1-ND2 3.15Å; N241-F252 CarbonylContact O-C 3.59Å; N241-F252 WeakPolarHBondContact O-CA 3.32Å; N241-G253 PolarHBondContact N-O 2.92Å; N241-G253 PolarHBondContact O-N 3.25Å
242	L	98.4	Very high	96	Very high	102 Å²	102	52.6 Å²	52.6	53%	0.534	26%	0.255	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-132.1	130.7	169.3	-70.2	173.3	0	0	0	108.8	G229 A230 M251 F252	G229-L242 CarbonylContact C-O 3.57Å; G229-L242 VanDerWaalsContact CA-O 3.25Å; G229-L242 WeakPolarHBondContact CA-O 3.45Å; A230-L242 PolarHBondContact N-O 2.94Å; A230-L242 PolarHBondContact O-N 2.82Å; L242-M251 WeakPolarHBondContact CA-O 3.22Å; L242-F252 HydrophobicContact CD2-CB 4.25Å; L242-F252 HydrophobicContact CD2-CD2 3.82Å
243	S	98.3	Very high	96.1	Very high	8 Å²	8	48.2 Å²	48.2	6%	0.056	24%	0.238	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-138.1	154.7	176.1	48.1	0	0	0	0	112.5	V228 E245 F250 M251	V228-S243 CarbonylContact O-C 3.51Å; V228-S243 VanDerWaalsContact O-CA 3.25Å; V228-S243 WeakPolarHBondContact O-CA 3.39Å; V228-S243 WeakPolarHBondContact O-CB 3.35Å; S243-E245 WeakPolarHBondContact CB-OE1 3.37Å; S243-E245 PolarHBondContact OG-OE1 2.78Å; S243-F250 WeakPolarHBondContact O-CA 3.38Å; S243-M251 PolarHBondContact N-O 2.7Å; S243-M251 PolarHBondContact O-N 2.84Å; S243-M251 WeakPolarHBondContact OG-CB 3.31Å
244	Y	98.4	Very high	96.4	Very high	85 Å²	85	49 Å²	49	33%	0.333	25%	0.246	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-119.9	109.2	169.1	-173.3	-112.4	0	0	0	108.5	N227 V228 G247 N248 T249 F250	N227-Y244 WeakPolarHBondContact CA-O 3.15Å; V228-Y244 PolarHBondContact N-O 2.5Å; V228-Y244 PolarHBondContact O-N 2.84Å; Y244-G247 PolarHBondContact OH-O 2.9Å; Y244-N248 WeakPolarHBondContact OH-CA 3.42Å; Y244-N248 PolarHBondContact OH-N 3.08Å; Y244-T249 CarbonylContact C-O 3.51Å; Y244-T249 VanDerWaalsContact CA-O 3.3Å; Y244-T249 WeakPolarHBondContact CA-O 3.41Å; Y244-T249 WeakPolarHBondContact CD2-O 3.46Å; Y244-F250 AromaticContact CD2-CD1 3.84Å; Y244-F250 HydrophobicContact CD2-CD1 3.84Å; Y244-F250 HydrophobicContact CD2-CD2 4.1Å; Y244-F250 AromaticContact CD2-CE1 3.65Å; Y244-F250 HydrophobicContact CD2-CE1 3.65Å; Y244-F250 AromaticContact CD2-CE2 3.93Å; Y244-F250 HydrophobicContact CD2-CE2 3.93Å; Y244-F250 HydrophobicContact CD2-CG 4.06Å; Y244-F250 AromaticContact CD2-CZ 3.7Å; Y244-F250 HydrophobicContact CD2-CZ 3.7Å; Y244-F250 HydrophobicContact CE2-CD2 4.18Å; Y244-F250 HydrophobicContact CE2-CE1 4.29Å; Y244-F250 AromaticContact CE2-CE2 3.79Å; Y244-F250 HydrophobicContact CE2-CE2 3.79Å; Y244-F250 AromaticContact CE2-CZ 3.85Å; Y244-F250 HydrophobicContact CE2-CZ 3.85Å; Y244-F250 HydrophobicContact CG-CE1 4.36Å
245	E	98.1	Very high	96.6	Very high	0 Å²	0	44.8 Å²	44.8	0%	0	22%	0.22	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-115.3	154.2	-170.2	-73.4	163.4	-137.3	0	0	111.2	L25 Q26 N227 S243 G247 N248 T249 M251	L25-E245 HydrophobicContact CD1-CG 4.44Å; Q26-E245 PolarHBondContact NE2-OE2 2.82Å; N227-E245 HydrophobicContact CB-CB 4.43Å; N227-E245 HydrophobicContact CB-CG 3.82Å; N227-E245 WeakPolarHBondContact OD1-CA 3.25Å; S243-E245 WeakPolarHBondContact CB-OE1 3.37Å; S243-E245 PolarHBondContact OG-OE1 2.78Å; E245-G247 PolarHBondContact O-N 2.79Å; E245-N248 PolarHBondContact O-N 3.17Å; E245-T249 PolarHBondContact N-O 3.21Å; E245-T249 PolarHBondContact O-N 2.78Å; E245-M251 WeakPolarHBondContact OE2-CE 3.4Å
246	R	96.9	Very high	96.8	Very high	4 Å²	4	46.1 Å²	46.1	2%	0.015	23%	0.225	C	C	.	.	T	Hydrogen-bonded Turn	trans	55.8	10.3	-179.4	-61	-173.7	-63.2	-92.1	6.1	114.7	Q47 Y212 Q222 K223 S224 N227 N248 T249	Q47-R246 VanDerWaalsContact CD-NH2 3.33Å; Y212-R246 HydrophobicContact CD2-CG 4.21Å; Y212-R246 HydrophobicContact CE2-CG 3.72Å; Q222-R246 HydrophobicContact CG-CB 4.24Å; Q222-R246 HydrophobicContact CG-CG 4.32Å; K223-R246 WeakPolarHBondContact CA-O 3.35Å; K223-R246 PolarHBondContact N-O 3.31Å; S224-R246 PolarHBondContact N-O 2.98Å; S224-R246 CarbonylContact O-C 3.55Å; S224-R246 WeakPolarHBondContact O-CA 3.28Å; N227-R246 PolarHBondContact OD1-N 3.44Å; R246-N248 WeakPolarHBondContact CB-OD1 3.33Å; R246-N248 PolarHBondContact O-N 2.92Å; R246-T249 PolarHBondContact NH2-OG1 2.85Å
247	G	97.3	Very high	97.1	Very high	15 Å²	15	41.9 Å²	41.9	16%	0.155	20%	0.201	C	C	.	.	T	Hydrogen-bonded Turn	trans	65.8	20.7	-172.6	0	0	0	0	0	114.3	Y244 E245	Y244-G247 PolarHBondContact OH-O 2.9Å; E245-G247 PolarHBondContact O-N 2.79Å
248	N	97.1	Very high	97.3	Very high	43 Å²	43	36.9 Å²	36.9	23%	0.23	19%	0.188	C	C	.	.	T	Hydrogen-bonded Turn	trans	-156.4	-6.3	178.8	62.9	10.5	0	0	0	115.7	E221 K223 Y244 E245 R246	E221-N248 PolarHBondContact O-ND2 2.81Å; E221-N248 PolarHBondContact OE2-ND2 2.87Å; K223-N248 HydrophobicContact CD-CB 4.18Å; K223-N248 HydrophobicContact CG-CB 4.49Å; Y244-N248 WeakPolarHBondContact OH-CA 3.42Å; Y244-N248 PolarHBondContact OH-N 3.08Å; E245-N248 PolarHBondContact O-N 3.17Å; R246-N248 WeakPolarHBondContact CB-OD1 3.33Å; R246-N248 PolarHBondContact O-N 2.92Å
249	T	97.4	Very high	97.3	Very high	6 Å²	6	37.1 Å²	37.1	4%	0.037	19%	0.187	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-119.7	127.8	-171.2	-56.9	0	0	0	0	110.4	N45 Y244 E245 R246	N45-T249 HydrophobicContact CB-CG2 3.9Å; Y244-T249 CarbonylContact C-O 3.51Å; Y244-T249 VanDerWaalsContact CA-O 3.3Å; Y244-T249 WeakPolarHBondContact CA-O 3.41Å; Y244-T249 WeakPolarHBondContact CD2-O 3.46Å; E245-T249 PolarHBondContact N-O 3.21Å; E245-T249 PolarHBondContact O-N 2.78Å; R246-T249 PolarHBondContact NH2-OG1 2.85Å
250	F	98.1	Very high	97.3	Very high	160 Å²	160	37.5 Å²	37.5	70%	0.702	19%	0.189	S	C	*	.	E	Extended strand (participates in β ladder)	trans	-91.9	137.9	168.2	-71.8	-81.4	0	0	0	109.7	S243 Y244	S243-F250 WeakPolarHBondContact O-CA 3.38Å; Y244-F250 AromaticContact CD2-CD1 3.84Å; Y244-F250 HydrophobicContact CD2-CD1 3.84Å; Y244-F250 HydrophobicContact CD2-CD2 4.1Å; Y244-F250 AromaticContact CD2-CE1 3.65Å; Y244-F250 HydrophobicContact CD2-CE1 3.65Å; Y244-F250 AromaticContact CD2-CE2 3.93Å; Y244-F250 HydrophobicContact CD2-CE2 3.93Å; Y244-F250 HydrophobicContact CD2-CG 4.06Å; Y244-F250 AromaticContact CD2-CZ 3.7Å; Y244-F250 HydrophobicContact CD2-CZ 3.7Å; Y244-F250 HydrophobicContact CE2-CD2 4.18Å; Y244-F250 HydrophobicContact CE2-CE1 4.29Å; Y244-F250 AromaticContact CE2-CE2 3.79Å; Y244-F250 HydrophobicContact CE2-CE2 3.79Å; Y244-F250 AromaticContact CE2-CZ 3.85Å; Y244-F250 HydrophobicContact CE2-CZ 3.85Å; Y244-F250 HydrophobicContact CG-CE1 4.36Å
251	M	97.5	Very high	97.2	Very high	5 Å²	5	36.5 Å²	36.5	3%	0.025	18%	0.182	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-126.9	140.3	172.7	-177.8	-175.9	-62	0	0	110.1	D18 R43 D44 N45 Y50 L242 S243 E245	D18-M251 HydrophobicContact CB-CE 4.32Å; D18-M251 HydrophobicContact CB-SD 3.83Å; R43-M251 HydrophobicContact CB-SD 3.95Å; R43-M251 HydrophobicContact CG-SD 4.42Å; D44-M251 WeakPolarHBondContact O-CA 3.47Å; D44-M251 WeakPolarHBondContact O-CG 2.9Å; N45-M251 HydrophobicContact CB-CB 4.26Å; N45-M251 HydrophobicContact CB-CE 4.2Å; N45-M251 HydrophobicContact CB-CG 4.39Å; N45-M251 WeakPolarHBondContact ND2-CE 2.91Å; Y50-M251 HydrophobicContact CE2-CE 4.37Å; L242-M251 WeakPolarHBondContact CA-O 3.22Å; S243-M251 PolarHBondContact N-O 2.7Å; S243-M251 PolarHBondContact O-N 2.84Å; S243-M251 WeakPolarHBondContact OG-CB 3.31Å; E245-M251 WeakPolarHBondContact OE2-CE 3.4Å
252	F	97.9	Very high	97.1	Very high	88 Å²	88	40.3 Å²	40.3	39%	0.386	20%	0.202	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-116.2	149	173.5	167.1	-97.9	0	0	0	109.6	R43 D44 V240 N241 L242 V254	R43-F252 CarbonylContact C-O 3.58Å; R43-F252 WeakPolarHBondContact CA-O 3.41Å; D44-F252 PolarHBondContact N-O 3.08Å; D44-F252 PolarHBondContact O-N 2.78Å; D44-F252 VanDerWaalsContact O-N 3.09Å; V240-F252 HydrophobicContact CG1-CD2 4.42Å; V240-F252 HydrophobicContact CG1-CE2 3.74Å; N241-F252 CarbonylContact O-C 3.59Å; N241-F252 WeakPolarHBondContact O-CA 3.32Å; L242-F252 HydrophobicContact CD2-CB 4.25Å; L242-F252 HydrophobicContact CD2-CD2 3.82Å; F252-V254 HydrophobicContact CE1-CG2 3.97Å; F252-V254 HydrophobicContact CZ-CG2 3.66Å
253	G	98.1	Very high	96.8	Very high	0 Å²	0	37.2 Å²	37.2	0%	0	19%	0.186	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-156.6	164.4	174.1	0	0	0	0	0	114.9	Y42 V240 N241	Y42-G253 CarbonylContact O-C 3.54Å; Y42-G253 WeakPolarHBondContact O-CA 3.44Å; V240-G253 WeakPolarHBondContact CA-O 3.34Å; N241-G253 PolarHBondContact N-O 2.92Å; N241-G253 PolarHBondContact O-N 3.25Å
254	V	98.2	Very high	96.5	Very high	45 Å²	45	43.6 Å²	43.6	27%	0.273	21%	0.209	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-131	140.8	171.7	-179.7	0	0	0	0	108	N41 Y42 R43 D239 F252 L256	N41-V254 WeakPolarHBondContact CA-O 3.35Å; Y42-V254 PolarHBondContact N-O 3.23Å; Y42-V254 PolarHBondContact O-N 2.63Å; R43-V254 PolarHBondContact NH1-O 3.16Å; D239-V254 WeakPolarHBondContact O-CA 3.4Å; F252-V254 HydrophobicContact CE1-CG2 3.97Å; F252-V254 HydrophobicContact CZ-CG2 3.66Å; V254-L256 HydrophobicContact CG1-CD2 4.15Å
255	T	97.8	Very high	96	Very high	0 Å²	0	41.8 Å²	41.8	0%	0	21%	0.208	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-126.2	120.4	171.8	-71.4	0	0	0	0	108.6	Q16 L40 N41 R43 A238 D239 R257	Q16-T255 HydrophobicContact CB-CG2 4.4Å; Q16-T255 HydrophobicContact CG-CG2 3.88Å; L40-T255 CarbonylContact O-C 3.49Å; L40-T255 WeakPolarHBondContact O-CA 3.47Å; N41-T255 WeakPolarHBondContact OD1-CB 3.46Å; N41-T255 WeakPolarHBondContact OD1-CG2 3.41Å; N41-T255 PolarHBondContact OD1-OG1 2.86Å; R43-T255 PolarHBondContact NH1-OG1 2.85Å; R43-T255 PolarHBondContact NH2-OG1 2.85Å; R43-T255 VanDerWaalsContact NH2-OG1 3.1Å; A238-T255 CarbonylContact C-O 3.5Å; A238-T255 VanDerWaalsContact CA-O 3.32Å; A238-T255 WeakPolarHBondContact CA-O 3.43Å; D239-T255 PolarHBondContact N-O 3.01Å; D239-T255 PolarHBondContact O-N 2.95Å; T255-R257 HydrophobicContact CG2-CG 3.83Å
256	L	97.5	Very high	95.4	Very high	74 Å²	74	47.4 Å²	47.4	39%	0.387	25%	0.247	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-97.5	140.7	171.6	-55.7	179.8	0	0	0	109.4	S39 L40 W237 A238 V254	S39-L256 CarbonylContact C-O 3.55Å; S39-L256 VanDerWaalsContact CA-O 3.23Å; S39-L256 WeakPolarHBondContact CA-O 3.47Å; L40-L256 HydrophobicContact CB-CB 4.36Å; L40-L256 PolarHBondContact N-O 2.86Å; L40-L256 PolarHBondContact O-N 3.33Å; W237-L256 HydrophobicContact CE3-CD2 4Å; W237-L256 HydrophobicContact CZ3-CD2 3.81Å; W237-L256 CarbonylContact O-C 3.48Å; W237-L256 WeakPolarHBondContact O-CA 3.35Å; A238-L256 HydrophobicContact CB-CD2 3.94Å; V254-L256 HydrophobicContact CG1-CD2 4.15Å
257	R	94.7	Very high	94.8	Very high	25 Å²	25	50.3 Å²	50.3	9%	0.094	26%	0.259	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-134.7	147.9	-175	-56.9	-176.9	-171.4	-113	4.5	112.4	P14 E37 L38 W237 D239 T255	P14-R257 PolarHBondContact O-NH1 3.15Å; P14-R257 PolarHBondContact O-NH2 3.07Å; E37-R257 IonicContact OE1-CZ 2.98Å; E37-R257 IonicContact OE1-NH1 3.53Å; E37-R257 PolarHBondContact OE1-NH1 2.86Å; L38-R257 WeakPolarHBondContact O-CA 3.44Å; W237-R257 WeakPolarHBondContact CB-O 3.32Å; W237-R257 PolarHBondContact O-N 2.69Å; D239-R257 IonicContact OD2-CZ 3.61Å; D239-R257 IonicContact OD2-NE 3.54Å; D239-R257 PolarHBondContact OD2-NE 3.39Å; D239-R257 IonicContact OD2-NH2 3.62Å; D239-R257 PolarHBondContact OD2-NH2 2.89Å; T255-R257 HydrophobicContact CG2-CG 3.83Å
258	T	94.9	Very high	94.3	Very high	53 Å²	53	57.3 Å²	57.3	33%	0.325	29%	0.292	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-151.1	168.2	164.4	-171.5	0	0	0	0	109.1	E37 L38 F260 L263	E37-T258 WeakPolarHBondContact CA-O 3.36Å; L38-T258 HydrophobicContact CB-CG2 4Å; L38-T258 HydrophobicContact CD2-CG2 4.06Å; L38-T258 HydrophobicContact CG-CG2 4.49Å; L38-T258 PolarHBondContact N-O 2.69Å; L38-T258 PolarHBondContact O-N 2.88Å; T258-F260 HydrophobicContact CG2-CD1 4.41Å; T258-F260 HydrophobicContact CG2-CE1 4.26Å; T258-L263 WeakPolarHBondContact OG1-CD2 3.35Å
259	N	96	Very high	94	Very high	13 Å²	13	57.6 Å²	57.6	7%	0.07	29%	0.294	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-124.1	118.8	171.8	-169.4	-49.2	0	0	0	109.9	E35 G36 E37 N261 D262 L263	E35-N259 PolarHBondContact O-ND2 3.27Å; E35-N259 PolarHBondContact O-OD1 2.82Å; G36-N259 CarbonylContact O-C 3.51Å; G36-N259 WeakPolarHBondContact O-CA 3.38Å; E37-N259 PolarHBondContact N-ND2 3.16Å; N259-N261 PolarHBondContact O-N 3.02Å; N259-N261 VanDerWaalsContact O-N 3.16Å; N259-N261 WeakPolarHBondContact OD1-CA 3.38Å; N259-N261 VanDerWaalsContact OD1-CB 3.31Å; N259-N261 WeakPolarHBondContact OD1-CB 3.18Å; N259-N261 PolarHBondContact OD1-N 3.36Å; N259-D262 HydrophobicContact CB-CB 4.12Å; N259-D262 WeakPolarHBondContact CB-OD2 3.46Å; N259-D262 PolarHBondContact O-N 2.9Å; N259-L263 PolarHBondContact O-N 3.3Å
260	F	96.5	Very high	93.7	Very high	11 Å²	11	61.8 Å²	61.8	5%	0.048	32%	0.316	C	S	.	.	T	Hydrogen-bonded Turn	trans	-62	-18.9	179.4	-64	-29.3	0	0	0	113.7	G36 L38 V55 T258 L263 F603 S605 V607 V609 V634	G36-F260 PolarHBondContact O-N 3.26Å; L38-F260 HydrophobicContact CB-CE1 4.01Å; L38-F260 HydrophobicContact CB-CE2 4.12Å; L38-F260 HydrophobicContact CB-CZ 3.76Å; L38-F260 HydrophobicContact CD1-CZ 4.37Å; L38-F260 HydrophobicContact CD2-CE1 3.85Å; L38-F260 HydrophobicContact CD2-CZ 3.68Å; L38-F260 HydrophobicContact CG-CZ 4.12Å; V55-F260 HydrophobicContact CG1-CE2 4.38Å; T258-F260 HydrophobicContact CG2-CD1 4.41Å; T258-F260 HydrophobicContact CG2-CE1 4.26Å; F260-L263 HydrophobicContact CD1-CD1 3.86Å; F260-F603 HydrophobicContact CB-CB 3.7Å; F260-F603 HydrophobicContact CB-CD1 4.13Å; F260-F603 HydrophobicContact CB-CD2 3.84Å; F260-F603 HydrophobicContact CB-CG 3.6Å; F260-F603 AromaticContact CD2-CD2 3.76Å; F260-F603 HydrophobicContact CD2-CD2 3.76Å; F260-F603 AromaticContact CD2-CE2 3.76Å; F260-F603 HydrophobicContact CD2-CE2 3.76Å; F260-F603 HydrophobicContact CD2-CG 4.33Å; F260-F603 HydrophobicContact CD2-CZ 4.3Å; F260-F603 HydrophobicContact CG-CD2 4.24Å; F260-F603 HydrophobicContact CG-CG 4.47Å; F260-S605 WeakPolarHBondContact O-CB 3.44Å; F260-S605 PolarHBondContact O-N 3.22Å; F260-S605 PolarHBondContact O-OG 3.12Å; F260-V607 HydrophobicContact CB-CB 4.26Å; F260-V607 HydrophobicContact CD1-CB 4.29Å; F260-V607 HydrophobicContact CD1-CG1 4.07Å; F260-V607 HydrophobicContact CD1-CG2 4.1Å; F260-V607 HydrophobicContact CD2-CB 4.44Å; F260-V607 HydrophobicContact CD2-CG1 3.82Å; F260-V607 HydrophobicContact CE1-CG1 4.11Å; F260-V607 HydrophobicContact CE1-CG2 4.49Å; F260-V607 HydrophobicContact CE2-CG1 3.87Å; F260-V607 HydrophobicContact CG-CB 4.11Å; F260-V607 HydrophobicContact CG-CG1 3.91Å; F260-V607 HydrophobicContact CG-CG2 4.4Å; F260-V607 HydrophobicContact CZ-CG1 3.99Å; F260-V609 HydrophobicContact CD2-CG2 4.24Å; F260-V609 HydrophobicContact CE2-CG2 3.75Å; F260-V634 HydrophobicContact CZ-CG1 4.5Å
261	N	95.5	Very high	93.5	Very high	23 Å²	23	58.1 Å²	58.1	12%	0.123	32%	0.316	C	S	.	.	T	Hydrogen-bonded Turn	trans	-83.3	-18.6	171	-67.5	-42.8	0	0	0	113.3	E35 N259 R264 F603 D604	E35-N261 PolarHBondContact O-ND2 3.42Å; N259-N261 PolarHBondContact O-N 3.02Å; N259-N261 VanDerWaalsContact O-N 3.16Å; N259-N261 WeakPolarHBondContact OD1-CA 3.38Å; N259-N261 VanDerWaalsContact OD1-CB 3.31Å; N259-N261 WeakPolarHBondContact OD1-CB 3.18Å; N259-N261 PolarHBondContact OD1-N 3.36Å; N261-R264 VanDerWaalsContact O-CZ 3.26Å; N261-R264 PolarHBondContact O-NH1 2.71Å; N261-R264 PolarHBondContact O-NH2 2.85Å; N261-F603 WeakPolarHBondContact OD1-CB 3.31Å; N261-F603 WeakPolarHBondContact OD1-CD1 3.44Å; N261-D604 HydrophobicContact CB-CB 4.43Å; N261-D604 PolarHBondContact OD1-N 3.5Å; N261-D604 VanDerWaalsContact OD1-N 3.1Å
262	D	93.9	Very high	93.3	Very high	86 Å²	86	63.2 Å²	63.2	46%	0.46	33%	0.334	S	S	.	.	T	Hydrogen-bonded Turn	trans	-99.9	-17.5	-178.2	-61.5	-28.1	0	0	0	112.3	R34 N259 R264	R34-D262 IonicContact CZ-OD2 2.91Å; R34-D262 IonicContact NH2-OD1 3.15Å; R34-D262 PolarHBondContact NH2-OD1 3.4Å; R34-D262 VanDerWaalsContact NH2-OD1 3.12Å; R34-D262 IonicContact NH2-OD2 3.87Å; R34-D262 PolarHBondContact NH2-OD2 2.85Å; R34-D262 VanDerWaalsContact NH2-OD2 3.1Å; N259-D262 HydrophobicContact CB-CB 4.12Å; N259-D262 WeakPolarHBondContact CB-OD2 3.46Å; N259-D262 PolarHBondContact O-N 2.9Å; D262-R264 PolarHBondContact O-N 3.02Å
263	L	93.3	Very high	93.2	Very high	37 Å²	37	59.9 Å²	59.9	19%	0.194	32%	0.322	C	S	.	.			trans	-59.1	126.3	174.4	-71.3	179.2	0	0	0	111.1	T258 N259 F260 S605 V607 L640	T258-L263 WeakPolarHBondContact OG1-CD2 3.35Å; N259-L263 PolarHBondContact O-N 3.3Å; F260-L263 HydrophobicContact CD1-CD1 3.86Å; L263-S605 VanDerWaalsContact O-CB 3.24Å; L263-S605 WeakPolarHBondContact O-CB 3.48Å; L263-V607 HydrophobicContact CD1-CG2 4.47Å; L263-L640 HydrophobicContact CB-CD2 4.31Å; L263-L640 HydrophobicContact CD1-CD1 4.34Å
264	R	91.4	Very high	93	Very high	143 Å²	143	66.5 Å²	66.5	54%	0.54	35%	0.353	S	S	.	.			trans	-130.5	142.5	176.6	-63.6	-67.1	176.4	-84.8	-3.4	109.5	N261 D262	N261-R264 VanDerWaalsContact O-CZ 3.26Å; N261-R264 PolarHBondContact O-NH1 2.71Å; N261-R264 PolarHBondContact O-NH2 2.85Å; D262-R264 PolarHBondContact O-N 3.02Å
265	P	88.7	Confident	92.8	Very high	47 Å²	47	66.7 Å²	66.7	31%	0.305	35%	0.349	S	S	.	.			trans	-58.1	139.8	171	-22.5	32.8	0	0	0	111.9	Y267 D639 L640	P265-Y267 HydrophobicContact CB-CD1 3.57Å; P265-Y267 HydrophobicContact CB-CE1 3.23Å; P265-Y267 HydrophobicContact CG-CE1 4.02Å; P265-D639 WeakPolarHBondContact CB-O 3.35Å; P265-L640 HydrophobicContact CG-CD2 4.06Å
266	S	84.2	Confident	92.6	Very high	117 Å²	117	72 Å²	72	82%	0.818	37%	0.373	S	S	*	.			trans	-126	72.9	172.9	175.9	0	0	0	0	108.9
267	Y	85.9	Confident	92.3	Very high	66 Å²	66	71.6 Å²	71.6	26%	0.259	38%	0.376	S	S	.	.			trans	-120.3	156.5	175.8	53.1	-112.3	0	0	0	111.6	P265 D269 D639 S643 P645	P265-Y267 HydrophobicContact CB-CD1 3.57Å; P265-Y267 HydrophobicContact CB-CE1 3.23Å; P265-Y267 HydrophobicContact CG-CE1 4.02Å; Y267-D269 HydrophobicContact CD2-CB 3.91Å; Y267-D269 HydrophobicContact CE2-CB 3.87Å; Y267-D639 WeakPolarHBondContact CD1-O 3.43Å; Y267-D639 HydrophobicContact CE1-CB 4.08Å; Y267-S643 WeakPolarHBondContact CB-O 3.28Å; Y267-P645 HydrophobicContact CD2-CG 4.45Å; Y267-P645 HydrophobicContact CE1-CB 4.11Å; Y267-P645 HydrophobicContact CE2-CB 3.88Å; Y267-P645 HydrophobicContact CE2-CG 4.05Å
268	N	85.4	Confident	92.1	Very high	162 Å²	162	76.7 Å²	76.7	87%	0.866	40%	0.4	S	S	*	.			trans	-87.2	119	169.9	-69.6	-30.4	0	0	0	108.4
269	D	90.5	Very high	91.7	Very high	49 Å²	49	78.7 Å²	78.7	26%	0.262	41%	0.414	S	S	.	.			trans	-120.7	159	174.2	-177.5	34.5	0	0	0	110.2	Y267 A271 K322 Y323 R332	Y267-D269 HydrophobicContact CD2-CB 3.91Å; Y267-D269 HydrophobicContact CE2-CB 3.87Å; D269-A271 PolarHBondContact O-N 2.94Å; D269-K322 WeakPolarHBondContact OD1-CE 3.2Å; D269-K322 IonicContact OD1-NZ 3.67Å; D269-K322 PolarHBondContact OD1-NZ 2.84Å; D269-Y323 WeakPolarHBondContact OD2-CE1 3.42Å; D269-Y323 PolarHBondContact OD2-OH 3.23Å; D269-R332 IonicContact OD2-CZ 2.71Å; D269-R332 IonicContact OD2-NH1 3.29Å; D269-R332 IonicContact OD2-NH2 2.8Å; D269-R332 PolarHBondContact OD2-NH2 2.8Å
270	N	91.1	Very high	91.3	Very high	93 Å²	93	78.5 Å²	78.5	50%	0.497	41%	0.413	S	S	.	.	P	Polyproline II helix	trans	-59.2	135.5	171.7	-67.6	-39.5	0	0	0	109.3	R332	N270-R332 PolarHBondContact O-NH1 3.24Å; N270-R332 PolarHBondContact O-NH2 2.92Å
271	A	94	Very high	90.9	Very high	84 Å²	84	82.6 Å²	82.6	69%	0.694	44%	0.435	S	S	*	.	P	Polyproline II helix	trans	-54.5	146.7	171.6	0	0	0	0	0	110.5	D269 N299	D269-A271 PolarHBondContact O-N 2.94Å; A271-N299 PolarHBondContact O-ND2 2.87Å
272	R	94.9	Very high	90.5	Very high	111 Å²	111	84 Å²	84	42%	0.419	45%	0.451	S	S	.	.	P	Polyproline II helix	trans	-55.1	138.1	168.9	-68.8	-177.5	-176.2	151.9	-1.9	108.2	Q274 E328 R332	R272-Q274 PolarHBondContact O-N 2.88Å; R272-E328 IonicContact CZ-OE1 3.61Å; R272-E328 IonicContact CZ-OE2 3.06Å; R272-E328 VanDerWaalsContact CZ-OE2 3.3Å; R272-E328 IonicContact NE-OE1 2.63Å; R272-E328 PolarHBondContact NE-OE1 3.49Å; R272-E328 IonicContact NE-OE2 3.68Å; R272-E328 PolarHBondContact NE-OE2 2.89Å; R272-E328 IonicContact NH2-OE1 3.3Å; R272-E328 IonicContact NH2-OE2 2.72Å; R272-E328 PolarHBondContact NH2-OE2 2.86Å; R272-R332 HydrophobicContact CG-CG 4.04Å
273	P	94.6	Very high	90.1	Very high	19 Å²	19	85.9 Å²	85.9	12%	0.123	46%	0.459	C	S	.	.	P	Polyproline II helix	trans	-54.1	138.2	177.1	-27.1	38.5	0	0	0	109.8	N299 R335 I336	P273-N299 VanDerWaalsContact CD-OD1 3.28Å; P273-N299 WeakPolarHBondContact CD-OD1 3.36Å; P273-R335 HydrophobicContact CB-CB 4.36Å; P273-R335 WeakPolarHBondContact O-CD 3.45Å; P273-R335 PolarHBondContact O-NH1 3.31Å; P273-I336 HydrophobicContact CB-CG1 4.37Å; P273-I336 HydrophobicContact CG-CD1 4.25Å; P273-I336 HydrophobicContact CG-CG1 3.77Å
274	Q	94.1	Very high	89.8	Confident	138 Å²	138	84.5 Å²	84.5	65%	0.645	45%	0.452	S	S	*	.	P	Polyproline II helix	trans	-74.5	145.4	172.8	-67.5	-173.5	-1.5	0	0	109	R272 Q276 N339	R272-Q274 PolarHBondContact O-N 2.88Å; Q274-Q276 HydrophobicContact CB-CG 4.29Å; Q274-Q276 PolarHBondContact O-N 2.86Å; Q274-N339 PolarHBondContact O-ND2 2.84Å; Q274-N339 PolarHBondContact O-OD1 2.84Å
275	Y	94.6	Very high	89.7	Confident	50 Å²	50	81.4 Å²	81.4	20%	0.196	44%	0.444	C	S	.	.			trans	-76.2	109.3	172.6	-178.7	-124.6	0	0	0	109.1	P277 M338 N339 L373 A374	Y275-P277 HydrophobicContact CE1-CG 4.04Å; Y275-P277 HydrophobicContact CE2-CB 3.97Å; Y275-P277 HydrophobicContact CE2-CG 4.14Å; Y275-M338 HydrophobicContact CD2-CB 4.42Å; Y275-M338 HydrophobicContact CE2-CB 4.08Å; Y275-M338 HydrophobicContact CE2-CE 4.37Å; Y275-N339 WeakPolarHBondContact CA-OD1 3.28Å; Y275-N339 WeakPolarHBondContact CD2-OD1 3.31Å; Y275-L373 HydrophobicContact CD1-CB 3.58Å; Y275-L373 HydrophobicContact CD2-CB 4.04Å; Y275-L373 HydrophobicContact CD2-CD1 3.75Å; Y275-L373 HydrophobicContact CD2-CG 4.5Å; Y275-L373 HydrophobicContact CE1-CB 3.94Å; Y275-L373 HydrophobicContact CE2-CB 4.39Å; Y275-L373 HydrophobicContact CE2-CD1 4.06Å; Y275-L373 HydrophobicContact CG-CB 3.63Å; Y275-L373 HydrophobicContact CG-CD1 4.15Å; Y275-L373 HydrophobicContact CG-CG 4.42Å; Y275-A374 HydrophobicContact CE1-CB 4.29Å
276	Q	93.1	Very high	89.7	Confident	110 Å²	110	84.6 Å²	84.6	51%	0.514	45%	0.454	S	S	.	.			trans	-139.5	81.9	179.4	-65.6	-177	18.3	0	0	107.1	Q274 Q278 N339	Q274-Q276 HydrophobicContact CB-CG 4.29Å; Q274-Q276 PolarHBondContact O-N 2.86Å; Q276-Q278 PolarHBondContact O-N 3.49Å; Q276-N339 PolarHBondContact N-OD1 2.88Å
277	P	91.8	Very high	90	Very high	67 Å²	67	83 Å²	83	44%	0.435	44%	0.443	S	S	.	.			trans	-67.1	123.1	-173.3	26.4	-33.8	0	0	0	111.7	Y275 N339	Y275-P277 HydrophobicContact CE1-CG 4.04Å; Y275-P277 HydrophobicContact CE2-CB 3.97Å; Y275-P277 HydrophobicContact CE2-CG 4.14Å; P277-N339 CarbonylContact C-O 3.59Å; P277-N339 WeakPolarHBondContact CA-O 3.32Å
278	Q	90.1	Very high	90.3	Very high	131 Å²	131	81.1 Å²	81.1	61%	0.612	44%	0.439	S	S	*	.			trans	-125	79.7	168.7	-63.5	-174.1	-5.7	0	0	107.8	Q276 Q280 N339 D340	Q276-Q278 PolarHBondContact O-N 3.49Å; Q278-Q280 PolarHBondContact O-N 2.8Å; Q278-N339 CarbonylContact C-O 3.54Å; Q278-N339 VanDerWaalsContact C-O 3.31Å; Q278-N339 PolarHBondContact N-O 3.36Å; Q278-D340 WeakPolarHBondContact O-CA 3.44Å
279	P	85.4	Confident	90.7	Very high	96 Å²	96	73.4 Å²	73.4	62%	0.623	40%	0.397	S	S	*	.			trans	-53.4	141.7	-177.1	-24	33.6	0	0	0	111.9
280	Q	88.3	Confident	90.9	Very high	9 Å²	9	72.9 Å²	72.9	4%	0.042	40%	0.4	C	S	.	.	B	Isolated β-bridge	trans	-108.1	159.8	173	70.8	176.9	-64.7	0	0	110.3	Q278 Q285 D340 L341 P342 D343	Q278-Q280 PolarHBondContact O-N 2.8Å; Q280-Q285 VanDerWaalsContact OE1-N 3.07Å; Q280-D340 PolarHBondContact NE2-O 2.87Å; Q280-L341 PolarHBondContact N-O 2.79Å; Q280-P342 HydrophobicContact CG-CB 4.12Å; Q280-P342 HydrophobicContact CG-CG 4.05Å; Q280-P342 WeakPolarHBondContact O-CA 3.36Å; Q280-D343 PolarHBondContact O-N 2.88Å
281	D	88.9	Confident	91.1	Very high	96 Å²	96	72.6 Å²	72.6	51%	0.513	40%	0.398	S	S	.	.			trans	-56.8	161.8	174.8	-58.8	-59.3	0	0	0	111.7	I283 Q285	D281-I283 CarbonylContact O-C 3.57Å; D281-I283 PolarHBondContact O-N 2.84Å; D281-Q285 PolarHBondContact OD2-NE2 3.37Å; D281-Q285 VanDerWaalsContact OD2-NE2 3.09Å
282	A	86	Confident	91.2	Very high	54 Å²	54	68.6 Å²	68.6	45%	0.446	37%	0.365	S	S	.	.	S	Bend	trans	-58.1	-20.8	174.7	0	0	0	0	0	113.3	D343 Q399	A282-D343 HydrophobicContact CB-CB 4.36Å; A282-Q399 PolarHBondContact O-NE2 2.84Å
283	I	86.3	Confident	91.3	Very high	124 Å²	124	63.7 Å²	63.7	64%	0.636	35%	0.347	S	S	*	.	S	Bend	trans	-87.9	119.7	170	-61.3	172.5	0	0	0	109	D281 Q285 Q399	D281-I283 CarbonylContact O-C 3.57Å; D281-I283 PolarHBondContact O-N 2.84Å; I283-Q285 PolarHBondContact O-N 2.81Å; I283-Q285 VanDerWaalsContact O-N 3.1Å; I283-Q399 VanDerWaalsContact CA-OE1 3.24Å
284	L	86.1	Confident	91.4	Very high	8 Å²	8	65.8 Å²	65.8	4%	0.042	36%	0.36	C	S	.	.			trans	-58.4	110.7	177.1	-70	-174.5	0	0	0	111	H286 V289 I307 A309 P342 Q399	L284-H286 PolarHBondContact O-N 3.17Å; L284-V289 HydrophobicContact CB-CG2 3.87Å; L284-V289 HydrophobicContact CD1-CG2 4.39Å; L284-V289 HydrophobicContact CD2-CG2 3.95Å; L284-V289 HydrophobicContact CG-CG2 4.29Å; L284-I307 HydrophobicContact CD1-CG2 4.37Å; L284-A309 HydrophobicContact CD1-CB 4.35Å; L284-P342 HydrophobicContact CD2-CB 4.23Å; L284-P342 HydrophobicContact CD2-CG 3.37Å; L284-Q399 HydrophobicContact CD1-CB 3.89Å; L284-Q399 HydrophobicContact CG-CB 4.19Å
285	Q	88.8	Confident	91.6	Very high	79 Å²	79	62 Å²	62	37%	0.369	34%	0.344	S	S	.	.			trans	-76.1	125	177.3	-62.9	-174.6	14.2	0	0	109.9	Q280 D281 I283 S287 V288 V289	Q280-Q285 VanDerWaalsContact OE1-N 3.07Å; D281-Q285 PolarHBondContact OD2-NE2 3.37Å; D281-Q285 VanDerWaalsContact OD2-NE2 3.09Å; I283-Q285 PolarHBondContact O-N 2.81Å; I283-Q285 VanDerWaalsContact O-N 3.1Å; Q285-S287 VanDerWaalsContact C-N 3.34Å; Q285-S287 PolarHBondContact O-N 2.87Å; Q285-V288 HydrophobicContact CB-CB 4.16Å; Q285-V288 HydrophobicContact CB-CG2 3.88Å; Q285-V288 PolarHBondContact O-N 3.45Å; Q285-V288 VanDerWaalsContact O-N 3.1Å; Q285-V289 PolarHBondContact O-N 3.2Å
286	H	88.9	Confident	91.7	Very high	114 Å²	114	59.7 Å²	59.7	53%	0.528	33%	0.334	S	S	.	.	H	α-helix	trans	-53	-46.6	-174.2	175	-106.7	0	0	0	113.6	L284 V288 V289 A290 W401	L284-H286 PolarHBondContact O-N 3.17Å; H286-V288 VanDerWaalsContact C-N 3.35Å; H286-V288 PolarHBondContact O-N 2.79Å; H286-V289 PolarHBondContact O-N 2.77Å; H286-A290 VanDerWaalsContact O-CB 3.26Å; H286-A290 WeakPolarHBondContact O-CB 3.32Å; H286-A290 PolarHBondContact O-N 3.3Å; H286-W401 HydrophobicContact CB-CH2 4.16Å; H286-W401 HydrophobicContact CB-CZ2 3.97Å; H286-W401 AromaticContact CD2-CE3 3.57Å; H286-W401 AromaticContact CD2-CH2 3.35Å; H286-W401 WeakPolarHBondContact CD2-CH2 3.06Å; H286-W401 AromaticContact CD2-CZ2 3.82Å; H286-W401 AromaticContact CD2-CZ3 3.21Å; H286-W401 WeakPolarHBondContact CD2-CZ3 3.05Å; H286-W401 AromaticContact CG-CH2 4Å; H286-W401 AromaticContact NE2-CZ3 3.81Å
287	S	90.4	Very high	91.9	Very high	84 Å²	84	57.7 Å²	57.7	59%	0.587	32%	0.324	S	S	*	.	H	α-helix	trans	-64.8	-37.7	-179.5	48.5	0	0	0	0	113	Q285 N291	Q285-S287 VanDerWaalsContact C-N 3.34Å; Q285-S287 PolarHBondContact O-N 2.87Å; S287-N291 PolarHBondContact O-N 3.3Å
288	V	92.7	Very high	92	Very high	26 Å²	26	61.5 Å²	61.5	16%	0.158	33%	0.331	C	S	.	.	H	α-helix	trans	-68.1	-50.9	178.7	178.2	0	0	0	0	109.6	Q285 H286 A290 N291 Q292 D340	Q285-V288 HydrophobicContact CB-CB 4.16Å; Q285-V288 HydrophobicContact CB-CG2 3.88Å; Q285-V288 PolarHBondContact O-N 3.45Å; Q285-V288 VanDerWaalsContact O-N 3.1Å; H286-V288 VanDerWaalsContact C-N 3.35Å; H286-V288 PolarHBondContact O-N 2.79Å; V288-A290 VanDerWaalsContact C-N 3.34Å; V288-A290 PolarHBondContact O-N 3.01Å; V288-N291 WeakPolarHBondContact O-CB 3.37Å; V288-N291 PolarHBondContact O-N 3.12Å; V288-N291 VanDerWaalsContact O-N 3.15Å; V288-Q292 WeakPolarHBondContact O-CG 3.32Å; V288-Q292 PolarHBondContact O-N 3.5Å; V288-D340 HydrophobicContact CG1-CB 3.33Å
289	V	93.9	Very high	92.4	Very high	0 Å²	0	56 Å²	56	0%	0	31%	0.305	C	S	.	.	H	α-helix	trans	-65.2	-37.4	-179.6	-178.3	0	0	0	0	111.8	L284 Q285 H286 N291 Q292 L293 I307 W401	L284-V289 HydrophobicContact CB-CG2 3.87Å; L284-V289 HydrophobicContact CD1-CG2 4.39Å; L284-V289 HydrophobicContact CD2-CG2 3.95Å; L284-V289 HydrophobicContact CG-CG2 4.29Å; Q285-V289 PolarHBondContact O-N 3.2Å; H286-V289 PolarHBondContact O-N 2.77Å; V289-N291 VanDerWaalsContact C-N 3.3Å; V289-N291 PolarHBondContact O-N 2.85Å; V289-Q292 PolarHBondContact O-N 2.8Å; V289-L293 HydrophobicContact CG1-CD1 4Å; V289-L293 HydrophobicContact CG1-CG 4.07Å; V289-L293 WeakPolarHBondContact O-CB 3.3Å; V289-L293 VanDerWaalsContact O-CG 3.23Å; V289-L293 WeakPolarHBondContact O-CG 3.18Å; V289-L293 PolarHBondContact O-N 2.9Å; V289-I307 HydrophobicContact CG1-CB 4.15Å; V289-I307 HydrophobicContact CG1-CD1 3.98Å; V289-I307 HydrophobicContact CG1-CG2 4.48Å; V289-W401 HydrophobicContact CB-CG 4.39Å; V289-W401 HydrophobicContact CG1-CB 3.63Å; V289-W401 HydrophobicContact CG1-CG 3.98Å
290	A	94.7	Very high	92.9	Very high	38 Å²	38	51.4 Å²	51.4	31%	0.314	28%	0.276	S	S	.	.	H	α-helix	trans	-59.3	-40.1	174.3	0	0	0	0	0	112.5	H286 V288 T294	H286-A290 VanDerWaalsContact O-CB 3.26Å; H286-A290 WeakPolarHBondContact O-CB 3.32Å; H286-A290 PolarHBondContact O-N 3.3Å; V288-A290 VanDerWaalsContact C-N 3.34Å; V288-A290 PolarHBondContact O-N 3.01Å; A290-T294 PolarHBondContact O-N 2.67Å; A290-T294 VanDerWaalsContact O-N 3.07Å; A290-T294 PolarHBondContact O-OG1 2.91Å
291	N	95.2	Very high	93.3	Very high	86 Å²	86	51 Å²	51	46%	0.46	28%	0.275	S	S	.	.	H	α-helix	trans	-66.9	-44.7	173.9	-177.4	53.1	0	0	0	111.6	S287 V288 V289 L293 T294 L295	S287-N291 PolarHBondContact O-N 3.3Å; V288-N291 WeakPolarHBondContact O-CB 3.37Å; V288-N291 PolarHBondContact O-N 3.12Å; V288-N291 VanDerWaalsContact O-N 3.15Å; V289-N291 VanDerWaalsContact C-N 3.3Å; V289-N291 PolarHBondContact O-N 2.85Å; N291-L293 PolarHBondContact O-N 2.9Å; N291-T294 WeakPolarHBondContact O-CB 3.48Å; N291-T294 PolarHBondContact O-N 2.72Å; N291-L295 WeakPolarHBondContact O-CG 3.39Å; N291-L295 PolarHBondContact O-N 3.21Å
292	Q	96.5	Very high	93.7	Very high	1 Å²	1	46.5 Å²	46.5	1%	0.005	25%	0.251	C	S	.	.	H	α-helix	trans	-58.8	-46.8	175.9	-69.1	179.2	-51.3	0	0	111.6	V288 V289 T294 L295 L296 I307 I336 D340	V288-Q292 WeakPolarHBondContact O-CG 3.32Å; V288-Q292 PolarHBondContact O-N 3.5Å; V289-Q292 PolarHBondContact O-N 2.8Å; Q292-T294 VanDerWaalsContact C-N 3.31Å; Q292-T294 PolarHBondContact O-N 2.72Å; Q292-L295 CarbonylContact O-C 3.48Å; Q292-L295 PolarHBondContact O-N 2.88Å; Q292-L296 WeakPolarHBondContact O-CB 3.32Å; Q292-L296 VanDerWaalsContact O-CG 3.25Å; Q292-L296 WeakPolarHBondContact O-CG 3.37Å; Q292-L296 PolarHBondContact O-N 2.87Å; Q292-I307 HydrophobicContact CB-CD1 3.71Å; Q292-I336 HydrophobicContact CB-CG2 4.01Å; Q292-I336 HydrophobicContact CG-CG2 4.2Å; Q292-I336 PolarHBondContact NE2-O 2.91Å; Q292-D340 PolarHBondContact NE2-O 2.87Å; Q292-D340 VanDerWaalsContact NE2-O 3.12Å
293	L	97.2	Very high	94	Very high	7 Å²	7	44.9 Å²	44.9	4%	0.037	24%	0.237	C	C	.	.	H	α-helix	trans	-59.3	-41.5	176.3	-70.5	172	0	0	0	112	V289 N291 L296 K297 P305 I307 W401 I403	V289-L293 HydrophobicContact CG1-CD1 4Å; V289-L293 HydrophobicContact CG1-CG 4.07Å; V289-L293 WeakPolarHBondContact O-CB 3.3Å; V289-L293 VanDerWaalsContact O-CG 3.23Å; V289-L293 WeakPolarHBondContact O-CG 3.18Å; V289-L293 PolarHBondContact O-N 2.9Å; N291-L293 PolarHBondContact O-N 2.9Å; L293-L296 HydrophobicContact CD2-CD1 4.46Å; L293-L296 PolarHBondContact O-N 2.77Å; L293-K297 PolarHBondContact O-N 2.78Å; L293-P305 HydrophobicContact CB-CG 4.39Å; L293-P305 HydrophobicContact CD2-CB 4.03Å; L293-P305 HydrophobicContact CD2-CG 4.09Å; L293-P305 WeakPolarHBondContact CD2-O 3.39Å; L293-P305 WeakPolarHBondContact O-CG 3.38Å; L293-I307 HydrophobicContact CD2-CB 4.43Å; L293-I307 HydrophobicContact CD2-CD1 4Å; L293-I307 HydrophobicContact CD2-CG1 3.96Å; L293-I307 HydrophobicContact CG-CD1 4.2Å; L293-W401 HydrophobicContact CD1-CB 4.01Å; L293-I403 HydrophobicContact CB-CD1 3.93Å; L293-I403 HydrophobicContact CB-CG1 3.97Å; L293-I403 HydrophobicContact CD1-CG1 4.44Å
294	T	96.7	Very high	94.3	Very high	64 Å²	64	41.4 Å²	41.4	39%	0.393	22%	0.22	S	C	.	.	H	α-helix	trans	-62.4	-44.5	175.3	-59.7	0	0	0	0	111.3	A290 N291 Q292 K297 Y298	A290-T294 PolarHBondContact O-N 2.67Å; A290-T294 VanDerWaalsContact O-N 3.07Å; A290-T294 PolarHBondContact O-OG1 2.91Å; N291-T294 WeakPolarHBondContact O-CB 3.48Å; N291-T294 PolarHBondContact O-N 2.72Å; Q292-T294 VanDerWaalsContact C-N 3.31Å; Q292-T294 PolarHBondContact O-N 2.72Å; T294-K297 PolarHBondContact O-N 3.03Å; T294-Y298 HydrophobicContact CG2-CD2 3.79Å; T294-Y298 HydrophobicContact CG2-CE2 4.14Å; T294-Y298 VanDerWaalsContact O-CD2 3.31Å; T294-Y298 WeakPolarHBondContact O-CD2 3.13Å; T294-Y298 PolarHBondContact O-N 2.89Å
295	L	97.2	Very high	94.8	Very high	59 Å²	59	41 Å²	41	31%	0.309	22%	0.218	S	C	.	.	H	α-helix	trans	-66.8	-38.5	176.1	-70.5	173	0	0	0	112.2	N291 Q292 K297 N299 A300 I336	N291-L295 WeakPolarHBondContact O-CG 3.39Å; N291-L295 PolarHBondContact O-N 3.21Å; Q292-L295 CarbonylContact O-C 3.48Å; Q292-L295 PolarHBondContact O-N 2.88Å; L295-K297 VanDerWaalsContact C-N 3.29Å; L295-K297 PolarHBondContact O-N 2.85Å; L295-N299 VanDerWaalsContact O-CA 3.3Å; L295-N299 WeakPolarHBondContact O-CA 3.33Å; L295-N299 WeakPolarHBondContact O-CB 3.08Å; L295-N299 PolarHBondContact O-N 2.71Å; L295-A300 PolarHBondContact O-N 2.91Å; L295-I336 HydrophobicContact CB-CD1 3.76Å; L295-I336 HydrophobicContact CB-CG1 3.93Å; L295-I336 HydrophobicContact CB-CG2 3.85Å; L295-I336 HydrophobicContact CD1-CG2 4.3Å; L295-I336 WeakPolarHBondContact O-CD1 3.18Å
296	L	97.9	Very high	95.1	Very high	0 Å²	0	39.7 Å²	39.7	0%	0	21%	0.212	C	C	.	.	H	α-helix	trans	-60.3	-42.9	175.4	-72.4	170.6	0	0	0	110.4	Q292 L293 A300 G301 L302 P305 I307 V316 A333 I336	Q292-L296 WeakPolarHBondContact O-CB 3.32Å; Q292-L296 VanDerWaalsContact O-CG 3.25Å; Q292-L296 WeakPolarHBondContact O-CG 3.37Å; Q292-L296 PolarHBondContact O-N 2.87Å; L293-L296 HydrophobicContact CD2-CD1 4.46Å; L293-L296 PolarHBondContact O-N 2.77Å; L296-A300 HydrophobicContact CD2-CB 4.39Å; L296-A300 CarbonylContact O-C 3.54Å; L296-A300 WeakPolarHBondContact O-CB 3.47Å; L296-A300 PolarHBondContact O-N 2.91Å; L296-G301 PolarHBondContact O-N 2.86Å; L296-L302 HydrophobicContact CD2-CD1 4.17Å; L296-L302 PolarHBondContact O-N 2.81Å; L296-P305 HydrophobicContact CB-CB 3.78Å; L296-P305 HydrophobicContact CB-CG 4.09Å; L296-P305 HydrophobicContact CD1-CB 4.14Å; L296-I307 HydrophobicContact CD1-CD1 3.68Å; L296-I307 HydrophobicContact CD1-CG1 3.84Å; L296-V316 HydrophobicContact CD1-CG1 3.79Å; L296-V316 HydrophobicContact CD2-CG1 4.17Å; L296-A333 HydrophobicContact CD2-CB 3.47Å; L296-A333 VanDerWaalsContact CD2-CB 3.47Å; L296-I336 HydrophobicContact CD2-CB 4.33Å; L296-I336 HydrophobicContact CD2-CD1 4.08Å; L296-I336 HydrophobicContact CD2-CG2 4.3Å; L296-I336 HydrophobicContact CG-CD1 4.46Å; L296-I336 HydrophobicContact CG-CG2 4.15Å
297	K	96.5	Very high	95.4	Very high	69 Å²	69	34.3 Å²	34.3	30%	0.3	19%	0.186	S	C	.	.	H	α-helix	trans	-65.7	-58.8	176.7	-174.5	171.9	179.9	171.2	0	113.1	L293 T294 L295 G301 L302 P305 I403	L293-K297 PolarHBondContact O-N 2.78Å; T294-K297 PolarHBondContact O-N 3.03Å; L295-K297 VanDerWaalsContact C-N 3.29Å; L295-K297 PolarHBondContact O-N 2.85Å; K297-G301 VanDerWaalsContact O-CA 3.31Å; K297-G301 WeakPolarHBondContact O-CA 3.23Å; K297-G301 PolarHBondContact O-N 2.89Å; K297-L302 VanDerWaalsContact CA-O 3.26Å; K297-L302 WeakPolarHBondContact CA-O 3.38Å; K297-P305 HydrophobicContact CB-CG 4.15Å; K297-I403 HydrophobicContact CB-CD1 4.3Å; K297-I403 HydrophobicContact CD-CD1 4.02Å
298	Y	95.5	Very high	95.6	Very high	146 Å²	146	31.1 Å²	31.1	57%	0.573	16%	0.162	S	C	*	.	H	α-helix	trans	-90.5	-27	-168	-65.2	-71.5	0	0	0	114.4	T294 K322	T294-Y298 HydrophobicContact CG2-CD2 3.79Å; T294-Y298 HydrophobicContact CG2-CE2 4.14Å; T294-Y298 VanDerWaalsContact O-CD2 3.31Å; T294-Y298 WeakPolarHBondContact O-CD2 3.13Å; T294-Y298 PolarHBondContact O-N 2.89Å; Y298-K322 PolarHBondContact O-NZ 2.98Å
299	N	96.6	Very high	95.7	Very high	15 Å²	15	30.1 Å²	30.1	8%	0.08	16%	0.157	C	C	.	.	T	Hydrogen-bonded Turn	trans	-96.1	-55.1	177.4	-167	-62.2	0	0	0	111.8	A271 P273 L295 G301 Y323 R332	A271-N299 PolarHBondContact O-ND2 2.87Å; P273-N299 VanDerWaalsContact CD-OD1 3.28Å; P273-N299 WeakPolarHBondContact CD-OD1 3.36Å; L295-N299 VanDerWaalsContact O-CA 3.3Å; L295-N299 WeakPolarHBondContact O-CA 3.33Å; L295-N299 WeakPolarHBondContact O-CB 3.08Å; L295-N299 PolarHBondContact O-N 2.71Å; N299-G301 VanDerWaalsContact C-N 3.32Å; N299-G301 PolarHBondContact O-N 2.86Å; N299-Y323 WeakPolarHBondContact O-CE2 3.4Å; N299-Y323 PolarHBondContact O-OH 2.88Å; N299-R332 WeakPolarHBondContact O-CD 3.46Å; N299-R332 WeakPolarHBondContact OD1-CD 3.34Å; N299-R332 PolarHBondContact OD1-NH1 3.29Å
300	A	97.3	Very high	95.6	Very high	0 Å²	0	33.5 Å²	33.5	0%	0	17%	0.172	C	C	.	.	S	Bend	trans	-78.6	-13.5	-180	0	0	0	0	0	114	L295 L296 L302 Q320 Y323 G329 R332 A333 I336	L295-A300 PolarHBondContact O-N 2.91Å; L296-A300 HydrophobicContact CD2-CB 4.39Å; L296-A300 CarbonylContact O-C 3.54Å; L296-A300 WeakPolarHBondContact O-CB 3.47Å; L296-A300 PolarHBondContact O-N 2.91Å; A300-L302 VanDerWaalsContact C-N 3.33Å; A300-L302 HydrophobicContact CB-CG 4.45Å; A300-Q320 PolarHBondContact O-NE2 2.75Å; A300-Y323 WeakPolarHBondContact O-CD2 3.27Å; A300-Y323 WeakPolarHBondContact O-CE2 3.34Å; A300-G329 WeakPolarHBondContact O-CA 3.45Å; A300-R332 HydrophobicContact CB-CB 3.67Å; A300-A333 HydrophobicContact CB-CB 4.09Å; A300-I336 HydrophobicContact CB-CD1 3.89Å
301	G	96.3	Very high	95.5	Very high	2 Å²	2	34.1 Å²	34.1	2%	0.021	18%	0.182	C	C	.	.			trans	77.4	17.9	174.8	0	0	0	0	0	114.7	L296 K297 N299 A303 Q320 V321 K322	L296-G301 PolarHBondContact O-N 2.86Å; K297-G301 VanDerWaalsContact O-CA 3.31Å; K297-G301 WeakPolarHBondContact O-CA 3.23Å; K297-G301 PolarHBondContact O-N 2.89Å; N299-G301 VanDerWaalsContact C-N 3.32Å; N299-G301 PolarHBondContact O-N 2.86Å; G301-A303 PolarHBondContact O-N 3.32Å; G301-Q320 PolarHBondContact O-OE1 3.38Å; G301-V321 WeakPolarHBondContact O-CG2 3.33Å; G301-V321 PolarHBondContact O-N 2.74Å; G301-K322 VanDerWaalsContact CA-CB 3.49Å
302	L	96.3	Very high	95.5	Very high	1 Å²	1	33.5 Å²	33.5	1%	0.005	18%	0.179	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-87.7	102.8	177.3	-62.6	179.9	0	0	0	109.1	L296 K297 A300 P305 V316 E319 Q320 A333 I350	L296-L302 HydrophobicContact CD2-CD1 4.17Å; L296-L302 PolarHBondContact O-N 2.81Å; K297-L302 VanDerWaalsContact CA-O 3.26Å; K297-L302 WeakPolarHBondContact CA-O 3.38Å; A300-L302 VanDerWaalsContact C-N 3.33Å; A300-L302 HydrophobicContact CB-CG 4.45Å; L302-P305 HydrophobicContact CB-CB 4.47Å; L302-P305 VanDerWaalsContact O-CD 3.3Å; L302-P305 WeakPolarHBondContact O-CD 3.42Å; L302-V316 HydrophobicContact CD1-CG1 4.25Å; L302-E319 CarbonylContact C-O 3.6Å; L302-E319 WeakPolarHBondContact CA-O 2.9Å; L302-Q320 HydrophobicContact CD2-CB 4.23Å; L302-A333 HydrophobicContact CD1-CB 3.96Å; L302-I350 HydrophobicContact CD1-CG2 4.42Å
303	A	94.1	Very high	95.5	Very high	20 Å²	20	34 Å²	34	17%	0.165	18%	0.182	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-63.6	146.8	170.5	0	0	0	0	0	110.7	G301 G318 E319 V321	G301-A303 PolarHBondContact O-N 3.32Å; A303-G318 WeakPolarHBondContact O-CA 3.29Å; A303-E319 HydrophobicContact CB-CB 4.38Å; A303-E319 PolarHBondContact N-O 2.91Å; A303-E319 PolarHBondContact O-N 2.98Å; A303-V321 HydrophobicContact CB-CG1 3.8Å; A303-V321 HydrophobicContact CB-CG2 4.02Å
304	D	91.8	Very high	95.5	Very high	50 Å²	50	33.7 Å²	33.7	27%	0.267	18%	0.18	S	C	.	.	E	Extended strand (participates in β ladder)	trans	44.1	53.5	-178.6	-47.6	-36.7	0	0	0	113.3	K405	D304-K405 HydrophobicContact CB-CB 4.01Å; D304-K405 WeakPolarHBondContact OD2-CD 3.46Å; D304-K405 VanDerWaalsContact OD2-CG 3.26Å; D304-K405 WeakPolarHBondContact OD2-CG 3.18Å
305	P	96.2	Very high	95.5	Very high	0 Å²	0	31.6 Å²	31.6	0%	0	17%	0.165	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-67.6	148.1	-173.6	29.2	-33.7	0	0	0	110.5	L293 L296 K297 L302 T317 Y402 I403	L293-P305 HydrophobicContact CB-CG 4.39Å; L293-P305 HydrophobicContact CD2-CB 4.03Å; L293-P305 HydrophobicContact CD2-CG 4.09Å; L293-P305 WeakPolarHBondContact CD2-O 3.39Å; L293-P305 WeakPolarHBondContact O-CG 3.38Å; L296-P305 HydrophobicContact CB-CB 3.78Å; L296-P305 HydrophobicContact CB-CG 4.09Å; L296-P305 HydrophobicContact CD1-CB 4.14Å; K297-P305 HydrophobicContact CB-CG 4.15Å; L302-P305 HydrophobicContact CB-CB 4.47Å; L302-P305 VanDerWaalsContact O-CD 3.3Å; L302-P305 WeakPolarHBondContact O-CD 3.42Å; P305-T317 CarbonylContact C-O 3.54Å; P305-T317 VanDerWaalsContact CA-O 3.25Å; P305-T317 WeakPolarHBondContact CA-O 3.35Å; P305-Y402 WeakPolarHBondContact O-CA 3.36Å; P305-I403 HydrophobicContact CG-CD1 3.92Å; P305-I403 HydrophobicContact CG-CG1 4.37Å; P305-I403 PolarHBondContact O-N 2.76Å
306	Q	95.1	Very high	95.5	Very high	52 Å²	52	28.8 Å²	28.8	24%	0.243	15%	0.151	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-132	135	175.3	176.1	170.2	30.3	0	0	109.3	Q308 V316 T317	Q306-Q308 HydrophobicContact CG-CG 3.9Å; Q306-Q308 VanDerWaalsContact NE2-CD 3.3Å; Q306-Q308 VanDerWaalsContact NE2-NE2 3.13Å; Q306-V316 CarbonylContact O-C 3.56Å; Q306-V316 VanDerWaalsContact O-CA 3.25Å; Q306-V316 WeakPolarHBondContact O-CA 3.36Å; Q306-T317 PolarHBondContact N-O 2.91Å; Q306-T317 PolarHBondContact O-N 2.83Å
307	I	95.6	Very high	95.4	Very high	0 Å²	0	29.1 Å²	29.1	0%	0	15%	0.152	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-115.8	128.1	171.5	-68.3	166.9	0	0	0	107.9	L284 V289 Q292 L293 L296 L314 Y315 V316 V337 G400 W401	L284-I307 HydrophobicContact CD1-CG2 4.37Å; V289-I307 HydrophobicContact CG1-CB 4.15Å; V289-I307 HydrophobicContact CG1-CD1 3.98Å; V289-I307 HydrophobicContact CG1-CG2 4.48Å; Q292-I307 HydrophobicContact CB-CD1 3.71Å; L293-I307 HydrophobicContact CD2-CB 4.43Å; L293-I307 HydrophobicContact CD2-CD1 4Å; L293-I307 HydrophobicContact CD2-CG1 3.96Å; L293-I307 HydrophobicContact CG-CD1 4.2Å; L296-I307 HydrophobicContact CD1-CD1 3.68Å; L296-I307 HydrophobicContact CD1-CG1 3.84Å; I307-L314 HydrophobicContact CG2-CD1 3.71Å; I307-L314 HydrophobicContact CG2-CG 4.38Å; I307-Y315 CarbonylContact C-O 3.51Å; I307-Y315 WeakPolarHBondContact CA-O 3.18Å; I307-V316 HydrophobicContact CG1-CG2 4.43Å; I307-V337 HydrophobicContact CD1-CG1 4.48Å; I307-G400 CarbonylContact O-C 3.54Å; I307-G400 WeakPolarHBondContact O-CA 3.26Å; I307-W401 PolarHBondContact N-O 2.83Å; I307-W401 PolarHBondContact O-N 2.86Å
308	Q	94.8	Very high	95.4	Very high	17 Å²	17	25.9 Å²	25.9	8%	0.079	14%	0.139	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-135.4	135.2	178.2	-72.4	171.9	-51	0	0	110.2	Q306 Y315 P394 T397 Q399	Q306-Q308 HydrophobicContact CG-CG 3.9Å; Q306-Q308 VanDerWaalsContact NE2-CD 3.3Å; Q306-Q308 VanDerWaalsContact NE2-NE2 3.13Å; Q308-Y315 PolarHBondContact N-O 2.83Å; Q308-Y315 PolarHBondContact O-N 2.77Å; Q308-P394 HydrophobicContact CB-CG 4.47Å; Q308-T397 WeakPolarHBondContact CB-OG1 3.31Å; Q308-T397 HydrophobicContact CG-CG2 4.34Å; Q308-Q399 CarbonylContact C-O 3.52Å; Q308-Q399 VanDerWaalsContact CA-O 3.31Å; Q308-Q399 WeakPolarHBondContact CA-O 3.36Å
309	A	93.4	Very high	95.4	Very high	6 Å²	6	21 Å²	21	5%	0.05	12%	0.121	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-105.5	140.8	170.5	0	0	0	0	0	110.3	L284 L314 T397 E398 Q399	L284-A309 HydrophobicContact CD1-CB 4.35Å; A309-L314 HydrophobicContact CB-CD1 4.34Å; A309-T397 PolarHBondContact O-OG1 2.87Å; A309-E398 PolarHBondContact O-N 2.96Å; A309-Q399 PolarHBondContact N-O 2.93Å
310	K	92.9	Very high	95.3	Very high	70 Å²	70	20.3 Å²	20.3	30%	0.304	12%	0.118	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-153.6	117	171.1	-174.4	-179.1	-172.5	160.7	0	109.9	D312 T313 Y315 S396 E398	K310-D312 PolarHBondContact O-N 2.96Å; K310-T313 PolarHBondContact N-O 2.86Å; K310-T313 VanDerWaalsContact N-O 3.07Å; K310-T313 PolarHBondContact O-N 2.83Å; K310-Y315 HydrophobicContact CB-CE2 4.07Å; K310-S396 WeakPolarHBondContact CD-O 3.5Å; K310-S396 PolarHBondContact NZ-O 3.11Å; K310-S396 PolarHBondContact NZ-OG 2.87Å; K310-E398 HydrophobicContact CG-CG 4.49Å
311	G	92.8	Very high	95.1	Very high	52 Å²	52	23.7 Å²	23.7	54%	0.536	14%	0.138	S	C	.	.	T	Hydrogen-bonded Turn	trans	59.4	-128.6	-174.1	0	0	0	0	0	111.6	T313 E398	G311-T313 VanDerWaalsContact C-N 3.35Å; G311-E398 PolarHBondContact N-OE1 2.75Å; G311-E398 PolarHBondContact N-OE2 3.08Å; G311-E398 VanDerWaalsContact N-OE2 3.13Å
312	D	95.5	Very high	95	Very high	72 Å²	72	25 Å²	25	39%	0.385	14%	0.143	S	C	.	.	T	Hydrogen-bonded Turn	trans	-94.8	17.2	178.4	66.6	-5.1	0	0	0	113.6	K310 G344 I345 K346 T347	K310-D312 PolarHBondContact O-N 2.96Å; D312-G344 WeakPolarHBondContact CB-O 3.32Å; D312-I345 WeakPolarHBondContact O-CA 3.38Å; D312-K346 HydrophobicContact CB-CB 4.29Å; D312-K346 HydrophobicContact CB-CD 4.3Å; D312-K346 HydrophobicContact CB-CG 4.23Å; D312-K346 PolarHBondContact O-N 2.86Å; D312-T347 PolarHBondContact O-N 2.84Å; D312-T347 VanDerWaalsContact O-N 3.11Å
313	T	96.8	Very high	94.9	Very high	11 Å²	11	25.3 Å²	25.3	7%	0.067	15%	0.145	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-121.2	130	-176.3	-57	0	0	0	0	112	K310 G311 Y315 T347 R349	K310-T313 PolarHBondContact N-O 2.86Å; K310-T313 VanDerWaalsContact N-O 3.07Å; K310-T313 PolarHBondContact O-N 2.83Å; G311-T313 VanDerWaalsContact C-N 3.35Å; T313-Y315 HydrophobicContact CG2-CD2 3.94Å; T313-Y315 HydrophobicContact CG2-CE1 4.13Å; T313-Y315 HydrophobicContact CG2-CE2 3.44Å; T313-Y315 VanDerWaalsContact CG2-CE2 3.44Å; T313-Y315 HydrophobicContact CG2-CG 4.45Å; T313-T347 CarbonylContact C-O 3.31Å; T313-T347 WeakPolarHBondContact CA-O 3.39Å; T313-T347 HydrophobicContact CG2-CG2 4.32Å; T313-R349 HydrophobicContact CG2-CB 4.4Å; T313-R349 HydrophobicContact CG2-CG 4.05Å
314	L	96.4	Very high	94.7	Very high	1 Å²	1	25.4 Å²	25.4	1%	0.005	14%	0.141	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-100.1	122.3	170.7	-170.7	74.1	0	0	0	109.3	I307 A309 V337 L341 P342 I345 T347 I348 R349	I307-L314 HydrophobicContact CG2-CD1 3.71Å; I307-L314 HydrophobicContact CG2-CG 4.38Å; A309-L314 HydrophobicContact CB-CD1 4.34Å; L314-V337 HydrophobicContact CD2-CB 3.78Å; L314-V337 HydrophobicContact CD2-CG1 4.18Å; L314-V337 HydrophobicContact CD2-CG2 4.19Å; L314-L341 HydrophobicContact CD2-CD1 4.03Å; L314-P342 HydrophobicContact CD1-CG 4.31Å; L314-I345 HydrophobicContact CB-CD1 4.28Å; L314-I345 HydrophobicContact CB-CG1 4.33Å; L314-I345 HydrophobicContact CB-CG2 3.73Å; L314-T347 PolarHBondContact N-O 3.12Å; L314-I348 CarbonylContact O-C 3.5Å; L314-I348 WeakPolarHBondContact O-CA 3.49Å; L314-R349 PolarHBondContact O-N 2.96Å
315	Y	97.3	Very high	94.6	Very high	21 Å²	21	25 Å²	25	8%	0.082	14%	0.138	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-102.3	127.6	178.2	-61.9	-98.3	0	0	0	109.1	I307 Q308 K310 T313 R349 V392 P394	I307-Y315 CarbonylContact C-O 3.51Å; I307-Y315 WeakPolarHBondContact CA-O 3.18Å; Q308-Y315 PolarHBondContact N-O 2.83Å; Q308-Y315 PolarHBondContact O-N 2.77Å; K310-Y315 HydrophobicContact CB-CE2 4.07Å; T313-Y315 HydrophobicContact CG2-CD2 3.94Å; T313-Y315 HydrophobicContact CG2-CE1 4.13Å; T313-Y315 HydrophobicContact CG2-CE2 3.44Å; T313-Y315 VanDerWaalsContact CG2-CE2 3.44Å; T313-Y315 HydrophobicContact CG2-CG 4.45Å; Y315-R349 CarbonylContact C-O 3.57Å; Y315-R349 WeakPolarHBondContact CA-O 3.2Å; Y315-R349 HydrophobicContact CD1-CB 4.02Å; Y315-R349 HydrophobicContact CE1-CB 4.37Å; Y315-R349 PolarHBondContact OH-NH1 2.82Å; Y315-V392 HydrophobicContact CE1-CG1 4.07Å; Y315-P394 HydrophobicContact CD1-CG 4.05Å; Y315-P394 HydrophobicContact CD2-CB 4.47Å; Y315-P394 HydrophobicContact CD2-CG 4.15Å; Y315-P394 HydrophobicContact CE1-CB 4.39Å; Y315-P394 HydrophobicContact CE1-CG 4.42Å; Y315-P394 HydrophobicContact CE2-CB 4.39Å; Y315-P394 HydrophobicContact CG-CG 3.89Å
316	V	97.2	Very high	94.4	Very high	0 Å²	0	25.4 Å²	25.4	0%	0	14%	0.141	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-117.3	128.4	170.7	-175.9	0	0	0	0	107.2	L296 L302 Q306 I307 V337 R349 I350 T351	L296-V316 HydrophobicContact CD1-CG1 3.79Å; L296-V316 HydrophobicContact CD2-CG1 4.17Å; L302-V316 HydrophobicContact CD1-CG1 4.25Å; Q306-V316 CarbonylContact O-C 3.56Å; Q306-V316 VanDerWaalsContact O-CA 3.25Å; Q306-V316 WeakPolarHBondContact O-CA 3.36Å; I307-V316 HydrophobicContact CG1-CG2 4.43Å; V316-V337 HydrophobicContact CG2-CG1 3.75Å; V316-R349 PolarHBondContact N-O 2.75Å; V316-I350 HydrophobicContact CB-CB 4.44Å; V316-I350 HydrophobicContact CB-CG1 4.09Å; V316-I350 HydrophobicContact CB-CG2 4.24Å; V316-I350 HydrophobicContact CG1-CG2 4.35Å; V316-I350 HydrophobicContact CG2-CG1 4.37Å; V316-I350 CarbonylContact O-C 3.52Å; V316-I350 VanDerWaalsContact O-CA 3.29Å; V316-I350 WeakPolarHBondContact O-CA 3.39Å; V316-T351 PolarHBondContact O-N 2.91Å
317	T	96	Very high	94.3	Very high	6 Å²	6	28.3 Å²	28.3	4%	0.037	15%	0.15	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-125.7	144.4	176.7	-54.4	0	0	0	0	109.2	P305 Q306 T351 N353	P305-T317 CarbonylContact C-O 3.54Å; P305-T317 VanDerWaalsContact CA-O 3.25Å; P305-T317 WeakPolarHBondContact CA-O 3.35Å; Q306-T317 PolarHBondContact N-O 2.91Å; Q306-T317 PolarHBondContact O-N 2.83Å; T317-T351 WeakPolarHBondContact CA-O 3.32Å; T317-N353 WeakPolarHBondContact CG2-ND2 3.35Å
318	G	95.4	Very high	94.2	Very high	2 Å²	2	29.8 Å²	29.8	2%	0.021	16%	0.157	C	C	.	.	E	Extended strand (participates in β ladder)	trans	179.5	166.2	172.8	0	0	0	0	0	112.6	A303 T351 E352 N353	A303-G318 WeakPolarHBondContact O-CA 3.29Å; G318-T351 PolarHBondContact N-O 3.09Å; G318-E352 WeakPolarHBondContact O-CA 3.25Å; G318-N353 PolarHBondContact O-N 2.8Å
319	E	94.8	Very high	94.3	Very high	43 Å²	43	29 Å²	29	20%	0.201	15%	0.153	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-95.7	119.3	176.7	176	163.7	167.1	0	0	110.6	L302 A303 V321 N353 L355	L302-E319 CarbonylContact C-O 3.6Å; L302-E319 WeakPolarHBondContact CA-O 2.9Å; A303-E319 HydrophobicContact CB-CB 4.38Å; A303-E319 PolarHBondContact N-O 2.91Å; A303-E319 PolarHBondContact O-N 2.98Å; E319-V321 HydrophobicContact CG-CG1 3.91Å; E319-V321 PolarHBondContact O-N 2.94Å; E319-V321 VanDerWaalsContact O-N 3.14Å; E319-N353 VanDerWaalsContact CA-O 3.25Å; E319-N353 WeakPolarHBondContact CA-O 3.45Å; E319-N353 WeakPolarHBondContact CB-O 3.39Å; E319-N353 WeakPolarHBondContact CG-O 3Å; E319-L355 PolarHBondContact OE2-N 3.23Å
320	Q	95.1	Very high	94.4	Very high	1 Å²	1	28.9 Å²	28.9	1%	0.005	15%	0.152	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-71.5	110.4	177.1	-180	54	-109.9	0	0	109.6	A300 G301 L302 Y323 R647	A300-Q320 PolarHBondContact O-NE2 2.75Å; G301-Q320 PolarHBondContact O-OE1 3.38Å; L302-Q320 HydrophobicContact CD2-CB 4.23Å; Q320-Y323 VanDerWaalsContact CG-O 3.3Å; Q320-Y323 WeakPolarHBondContact CG-O 3.39Å; Q320-R647 WeakPolarHBondContact O-CD 3.46Å; Q320-R647 PolarHBondContact O-NH1 3.21Å
321	V	93.6	Very high	94.6	Very high	71 Å²	71	28.4 Å²	28.4	43%	0.43	15%	0.152	S	C	.	.			trans	-112.9	-12.9	-179.3	-61.6	0	0	0	0	113.5	G301 A303 E319	G301-V321 WeakPolarHBondContact O-CG2 3.33Å; G301-V321 PolarHBondContact O-N 2.74Å; A303-V321 HydrophobicContact CB-CG1 3.8Å; A303-V321 HydrophobicContact CB-CG2 4.02Å; E319-V321 HydrophobicContact CG-CG1 3.91Å; E319-V321 PolarHBondContact O-N 2.94Å; E319-V321 VanDerWaalsContact O-N 3.14Å
322	K	93.8	Very high	94.8	Very high	29 Å²	29	26.6 Å²	26.6	13%	0.126	13%	0.129	C	C	.	.	S	Bend	trans	-99.3	-55.9	-170.3	-167.2	174.6	176.8	-168.5	0	112	D269 Y298 G301 P645 T646	D269-K322 WeakPolarHBondContact OD1-CE 3.2Å; D269-K322 IonicContact OD1-NZ 3.67Å; D269-K322 PolarHBondContact OD1-NZ 2.84Å; Y298-K322 PolarHBondContact O-NZ 2.98Å; G301-K322 VanDerWaalsContact CA-CB 3.49Å; K322-P645 HydrophobicContact CD-CG 4.01Å; K322-P645 HydrophobicContact CG-CB 3.9Å; K322-P645 HydrophobicContact CG-CG 3.47Å; K322-P645 VanDerWaalsContact CG-CG 3.47Å; K322-P645 CarbonylContact O-C 3.59Å; K322-P645 VanDerWaalsContact O-C 3.27Å; K322-P645 WeakPolarHBondContact O-CB 3.44Å; K322-T646 CarbonylContact O-C 3.55Å; K322-T646 WeakPolarHBondContact O-CA 3.33Å; K322-T646 PolarHBondContact O-N 3.06Å; K322-T646 VanDerWaalsContact O-N 3.11Å
323	Y	93.7	Very high	94.9	Very high	8 Å²	8	23.1 Å²	23.1	3%	0.031	11%	0.111	C	C	.	.			trans	-98	132.2	-175	-52.1	-69.1	0	0	0	111.3	D269 N299 A300 Q320 D325 E328 R332 P645	D269-Y323 WeakPolarHBondContact OD2-CE1 3.42Å; D269-Y323 PolarHBondContact OD2-OH 3.23Å; N299-Y323 WeakPolarHBondContact O-CE2 3.4Å; N299-Y323 PolarHBondContact O-OH 2.88Å; A300-Y323 WeakPolarHBondContact O-CD2 3.27Å; A300-Y323 WeakPolarHBondContact O-CE2 3.34Å; Q320-Y323 VanDerWaalsContact CG-O 3.3Å; Q320-Y323 WeakPolarHBondContact CG-O 3.39Å; Y323-D325 WeakPolarHBondContact CB-O 3.37Å; Y323-E328 HydrophobicContact CD1-CB 4.28Å; Y323-E328 HydrophobicContact CD1-CG 3.68Å; Y323-E328 HydrophobicContact CD2-CB 4.21Å; Y323-E328 HydrophobicContact CD2-CG 3.93Å; Y323-E328 HydrophobicContact CE1-CG 3.9Å; Y323-E328 HydrophobicContact CE2-CG 4.13Å; Y323-E328 HydrophobicContact CG-CB 3.9Å; Y323-E328 HydrophobicContact CG-CG 3.7Å; Y323-R332 PolarHBondContact OH-NE 2.89Å; Y323-R332 PolarHBondContact OH-NH1 3.02Å; Y323-R332 PolarHBondContact OH-NH2 2.81Å; Y323-P645 HydrophobicContact CD1-CB 4.05Å; Y323-P645 HydrophobicContact CD1-CG 4.49Å; Y323-P645 HydrophobicContact CE1-CB 4.1Å; Y323-P645 HydrophobicContact CE1-CG 4.05Å
324	R	90.9	Very high	95	Very high	22 Å²	22	22.8 Å²	22.8	8%	0.083	11%	0.108	C	C	.	.	S	Bend	trans	-71.9	-40.4	178.2	-153.7	-171	14.3	114.9	-5.6	111.8	S326 S605 D639 F682 R683	R324-S326 PolarHBondContact O-N 2.84Å; R324-S605 PolarHBondContact NH1-O 3.48Å; R324-S605 PolarHBondContact NH2-O 2.85Å; R324-D639 IonicContact CZ-OD2 3.22Å; R324-D639 IonicContact NE-OD1 3.57Å; R324-D639 IonicContact NE-OD2 2.84Å; R324-D639 PolarHBondContact NE-OD2 3.48Å; R324-D639 IonicContact NH2-OD1 3.79Å; R324-D639 IonicContact NH2-OD2 3.99Å; R324-D639 PolarHBondContact NH2-OD2 2.04Å; R324-F682 HydrophobicContact CG-CE1 4.44Å; R324-F682 WeakPolarHBondContact O-CD1 3.3Å; R324-F682 WeakPolarHBondContact O-CE1 3.26Å; R324-R683 VanDerWaalsContact C-OXT 3.26Å; R324-R683 WeakPolarHBondContact CB-OXT 3.26Å; R324-R683 VanDerWaalsContact CD-C 3.44Å; R324-R683 VanDerWaalsContact CD-O 3.26Å; R324-R683 WeakPolarHBondContact CD-O 2.83Å; R324-R683 WeakPolarHBondContact CD-OXT 3.28Å; R324-R683 WeakPolarHBondContact CG-OXT 3.36Å; R324-R683 PolarHBondContact NE-OXT 3.15Å; R324-R683 PolarHBondContact NH1-O 3.09Å; R324-R683 PolarHBondContact NH1-OXT 2.87Å
325	D	90.3	Very high	95	Very high	41 Å²	41	25.7 Å²	25.7	22%	0.219	12%	0.119	C	C	.	.	S	Bend	trans	-81.3	106.9	163	-176.3	-6.1	0	0	0	109.5	Y323 R327 E328	Y323-D325 WeakPolarHBondContact CB-O 3.37Å; D325-R327 PolarHBondContact O-N 2.93Å; D325-R327 VanDerWaalsContact O-N 3.13Å; D325-R327 VanDerWaalsContact OD1-CB 3.23Å; D325-R327 WeakPolarHBondContact OD1-CB 3.4Å; D325-R327 VanDerWaalsContact OD1-CG 3.29Å; D325-R327 WeakPolarHBondContact OD1-CG 3.47Å; D325-R327 IonicContact OD1-CZ 3.63Å; D325-R327 PolarHBondContact OD1-N 2.8Å; D325-R327 IonicContact OD1-NE 3.76Å; D325-R327 PolarHBondContact OD1-NE 2.57Å; D325-R327 IonicContact OD1-NH2 2.84Å; D325-R327 IonicContact OD2-CZ 3.35Å; D325-R327 VanDerWaalsContact OD2-CZ 3.27Å; D325-R327 IonicContact OD2-NE 2.96Å; D325-R327 PolarHBondContact OD2-NE 2.8Å; D325-R327 VanDerWaalsContact OD2-NE 3.11Å; D325-R327 IonicContact OD2-NH2 2.86Å; D325-R327 PolarHBondContact OD2-NH2 3.22Å; D325-E328 PolarHBondContact O-N 2.96Å
326	S	91.1	Very high	95	Very high	9 Å²	9	24.8 Å²	24.8	6%	0.063	12%	0.116	C	C	.	.	H	α-helix	trans	-57.9	-28	-179	48.8	0	0	0	0	113.7	R324 E328 G329 I330 E352	R324-S326 PolarHBondContact O-N 2.84Å; S326-E328 PolarHBondContact O-N 2.8Å; S326-G329 WeakPolarHBondContact O-CA 3.47Å; S326-G329 PolarHBondContact O-N 2.74Å; S326-I330 WeakPolarHBondContact O-CG1 3.36Å; S326-I330 PolarHBondContact O-N 3.09Å; S326-E352 VanDerWaalsContact CB-CD 3.47Å; S326-E352 WeakPolarHBondContact CB-OE1 3.3Å; S326-E352 VanDerWaalsContact CB-OE2 3.3Å; S326-E352 WeakPolarHBondContact CB-OE2 3.43Å; S326-E352 PolarHBondContact OG-OE2 2.96Å
327	R	92.8	Very high	95	Very high	112 Å²	112	24.8 Å²	24.8	42%	0.423	12%	0.116	S	C	.	.	H	α-helix	trans	-59.1	-32.6	-178.7	-60.5	174.9	-65.9	170.6	3.9	111.9	D325 G329 I330 I331	D325-R327 PolarHBondContact O-N 2.93Å; D325-R327 VanDerWaalsContact O-N 3.13Å; D325-R327 VanDerWaalsContact OD1-CB 3.23Å; D325-R327 WeakPolarHBondContact OD1-CB 3.4Å; D325-R327 VanDerWaalsContact OD1-CG 3.29Å; D325-R327 WeakPolarHBondContact OD1-CG 3.47Å; D325-R327 IonicContact OD1-CZ 3.63Å; D325-R327 PolarHBondContact OD1-N 2.8Å; D325-R327 IonicContact OD1-NE 3.76Å; D325-R327 PolarHBondContact OD1-NE 2.57Å; D325-R327 IonicContact OD1-NH2 2.84Å; D325-R327 IonicContact OD2-CZ 3.35Å; D325-R327 VanDerWaalsContact OD2-CZ 3.27Å; D325-R327 IonicContact OD2-NE 2.96Å; D325-R327 PolarHBondContact OD2-NE 2.8Å; D325-R327 VanDerWaalsContact OD2-NE 3.11Å; D325-R327 IonicContact OD2-NH2 2.86Å; D325-R327 PolarHBondContact OD2-NH2 3.22Å; R327-G329 VanDerWaalsContact C-N 3.35Å; R327-I330 PolarHBondContact O-N 3.1Å; R327-I331 WeakPolarHBondContact O-CB 3.45Å; R327-I331 WeakPolarHBondContact O-CD1 3.49Å; R327-I331 VanDerWaalsContact O-CG1 3.22Å; R327-I331 WeakPolarHBondContact O-CG1 3.47Å; R327-I331 PolarHBondContact O-N 3.01Å
328	E	94.3	Very high	95	Very high	31 Å²	31	24.9 Å²	24.9	15%	0.145	12%	0.116	C	C	.	.	H	α-helix	trans	-62.5	-44.1	175.5	-177.9	58.7	-159.5	0	0	111.6	R272 Y323 D325 S326 I331 R332	R272-E328 IonicContact CZ-OE1 3.61Å; R272-E328 IonicContact CZ-OE2 3.06Å; R272-E328 VanDerWaalsContact CZ-OE2 3.3Å; R272-E328 IonicContact NE-OE1 2.63Å; R272-E328 PolarHBondContact NE-OE1 3.49Å; R272-E328 IonicContact NE-OE2 3.68Å; R272-E328 PolarHBondContact NE-OE2 2.89Å; R272-E328 IonicContact NH2-OE1 3.3Å; R272-E328 IonicContact NH2-OE2 2.72Å; R272-E328 PolarHBondContact NH2-OE2 2.86Å; Y323-E328 HydrophobicContact CD1-CB 4.28Å; Y323-E328 HydrophobicContact CD1-CG 3.68Å; Y323-E328 HydrophobicContact CD2-CB 4.21Å; Y323-E328 HydrophobicContact CD2-CG 3.93Å; Y323-E328 HydrophobicContact CE1-CG 3.9Å; Y323-E328 HydrophobicContact CE2-CG 4.13Å; Y323-E328 HydrophobicContact CG-CB 3.9Å; Y323-E328 HydrophobicContact CG-CG 3.7Å; D325-E328 PolarHBondContact O-N 2.96Å; S326-E328 PolarHBondContact O-N 2.8Å; E328-I331 PolarHBondContact O-N 2.52Å; E328-R332 WeakPolarHBondContact O-CG 3.35Å; E328-R332 PolarHBondContact O-N 3.34Å; E328-R332 VanDerWaalsContact O-N 3.13Å; E328-R332 IonicContact OE1-CZ 2.87Å; E328-R332 VanDerWaalsContact OE1-CZ 3.29Å; E328-R332 IonicContact OE1-NE 2.78Å; E328-R332 PolarHBondContact OE1-NE 2.9Å; E328-R332 IonicContact OE1-NH2 3.4Å; E328-R332 PolarHBondContact OE1-NH2 2.97Å
329	G	95.8	Very high	95.1	Very high	0 Å²	0	25.9 Å²	25.9	0%	0	12%	0.121	C	C	.	.	H	α-helix	trans	-62.2	-45	174.2	0	0	0	0	0	112.4	A300 S326 R327 R332 A333	A300-G329 WeakPolarHBondContact O-CA 3.45Å; S326-G329 WeakPolarHBondContact O-CA 3.47Å; S326-G329 PolarHBondContact O-N 2.74Å; R327-G329 VanDerWaalsContact C-N 3.35Å; G329-R332 PolarHBondContact O-N 3.09Å; G329-A333 VanDerWaalsContact O-CB 3.25Å; G329-A333 WeakPolarHBondContact O-CB 3.17Å; G329-A333 PolarHBondContact O-N 2.91Å
330	I	96.5	Very high	95	Very high	5 Å²	5	24.9 Å²	24.9	3%	0.026	12%	0.117	C	C	.	.	H	α-helix	trans	-62.2	-44.7	177.7	-60.9	-56.7	0	0	0	111.7	S326 R327 R332 A333 N334 I350 E352 T362	S326-I330 WeakPolarHBondContact O-CG1 3.36Å; S326-I330 PolarHBondContact O-N 3.09Å; R327-I330 PolarHBondContact O-N 3.1Å; I330-R332 VanDerWaalsContact C-N 3.32Å; I330-R332 PolarHBondContact O-N 3.08Å; I330-A333 PolarHBondContact O-N 2.8Å; I330-N334 VanDerWaalsContact O-CB 3.31Å; I330-N334 WeakPolarHBondContact O-CB 3.48Å; I330-N334 PolarHBondContact O-N 3.36Å; I330-N334 PolarHBondContact O-ND2 2.83Å; I330-I350 HydrophobicContact CD1-CB 3.85Å; I330-I350 HydrophobicContact CD1-CG2 3.39Å; I330-I350 HydrophobicContact CG2-CD1 4.28Å; I330-E352 HydrophobicContact CD1-CG 3.94Å; I330-T362 HydrophobicContact CG2-CG2 3.93Å
331	I	96.5	Very high	95	Very high	60 Å²	60	25.9 Å²	25.9	31%	0.308	12%	0.122	S	C	.	.	H	α-helix	trans	-58.6	-45.6	176.8	-73.2	164.4	0	0	0	110.5	R327 E328 R335	R327-I331 WeakPolarHBondContact O-CB 3.45Å; R327-I331 WeakPolarHBondContact O-CD1 3.49Å; R327-I331 VanDerWaalsContact O-CG1 3.22Å; R327-I331 WeakPolarHBondContact O-CG1 3.47Å; R327-I331 PolarHBondContact O-N 3.01Å; E328-I331 PolarHBondContact O-N 2.52Å; I331-R335 WeakPolarHBondContact O-CG 3.37Å; I331-R335 PolarHBondContact O-N 2.81Å; I331-R335 VanDerWaalsContact O-N 3.16Å
332	R	97.7	Very high	95.1	Very high	13 Å²	13	22.7 Å²	22.7	5%	0.049	10%	0.103	C	C	.	.	H	α-helix	trans	-67.3	-46	179	-70.6	170.6	-178.8	-110.6	11.6	111.6	D269 N270 R272 N299 A300 Y323 E328 G329 I330 N334 R335 I336	D269-R332 IonicContact OD2-CZ 2.71Å; D269-R332 IonicContact OD2-NH1 3.29Å; D269-R332 IonicContact OD2-NH2 2.8Å; D269-R332 PolarHBondContact OD2-NH2 2.8Å; N270-R332 PolarHBondContact O-NH1 3.24Å; N270-R332 PolarHBondContact O-NH2 2.92Å; R272-R332 HydrophobicContact CG-CG 4.04Å; N299-R332 WeakPolarHBondContact O-CD 3.46Å; N299-R332 WeakPolarHBondContact OD1-CD 3.34Å; N299-R332 PolarHBondContact OD1-NH1 3.29Å; A300-R332 HydrophobicContact CB-CB 3.67Å; Y323-R332 PolarHBondContact OH-NE 2.89Å; Y323-R332 PolarHBondContact OH-NH1 3.02Å; Y323-R332 PolarHBondContact OH-NH2 2.81Å; E328-R332 WeakPolarHBondContact O-CG 3.35Å; E328-R332 PolarHBondContact O-N 3.34Å; E328-R332 VanDerWaalsContact O-N 3.13Å; E328-R332 IonicContact OE1-CZ 2.87Å; E328-R332 VanDerWaalsContact OE1-CZ 3.29Å; E328-R332 IonicContact OE1-NE 2.78Å; E328-R332 PolarHBondContact OE1-NE 2.9Å; E328-R332 IonicContact OE1-NH2 3.4Å; E328-R332 PolarHBondContact OE1-NH2 2.97Å; G329-R332 PolarHBondContact O-N 3.09Å; I330-R332 VanDerWaalsContact C-N 3.32Å; I330-R332 PolarHBondContact O-N 3.08Å; R332-N334 VanDerWaalsContact C-N 3.33Å; R332-N334 PolarHBondContact O-N 3.43Å; R332-R335 PolarHBondContact O-N 2.84Å; R332-R335 VanDerWaalsContact O-N 3.16Å; R332-I336 WeakPolarHBondContact O-CD1 3.22Å; R332-I336 VanDerWaalsContact O-CG1 3.24Å; R332-I336 WeakPolarHBondContact O-CG1 3.48Å; R332-I336 PolarHBondContact O-N 2.9Å
333	A	98	Very high	95	Very high	0 Å²	0	25.9 Å²	25.9	0%	0	12%	0.121	C	C	.	.	H	α-helix	trans	-59.9	-44.1	178.4	0	0	0	0	0	111.6	L296 A300 L302 G329 I330 R335 I336 V337 I350	L296-A333 HydrophobicContact CD2-CB 3.47Å; L296-A333 VanDerWaalsContact CD2-CB 3.47Å; A300-A333 HydrophobicContact CB-CB 4.09Å; L302-A333 HydrophobicContact CD1-CB 3.96Å; G329-A333 VanDerWaalsContact O-CB 3.25Å; G329-A333 WeakPolarHBondContact O-CB 3.17Å; G329-A333 PolarHBondContact O-N 2.91Å; I330-A333 PolarHBondContact O-N 2.8Å; A333-R335 PolarHBondContact O-N 2.84Å; A333-I336 PolarHBondContact O-N 2.88Å; A333-V337 WeakPolarHBondContact O-CG2 3.42Å; A333-V337 PolarHBondContact O-N 2.8Å; A333-I350 HydrophobicContact CB-CD1 3.65Å
334	N	97.9	Very high	95	Very high	4 Å²	4	28.2 Å²	28.2	2%	0.021	15%	0.148	C	C	.	.	H	α-helix	trans	-55.4	-47.7	172.4	-87.1	-30.7	0	0	0	112.1	I330 R332 I336 V337 M338 I350 L369 Q386	I330-N334 VanDerWaalsContact O-CB 3.31Å; I330-N334 WeakPolarHBondContact O-CB 3.48Å; I330-N334 PolarHBondContact O-N 3.36Å; I330-N334 PolarHBondContact O-ND2 2.83Å; R332-N334 VanDerWaalsContact C-N 3.33Å; R332-N334 PolarHBondContact O-N 3.43Å; N334-I336 PolarHBondContact O-N 2.85Å; N334-V337 WeakPolarHBondContact O-CG2 3.3Å; N334-V337 PolarHBondContact O-N 2.84Å; N334-M338 WeakPolarHBondContact O-CB 3.37Å; N334-M338 WeakPolarHBondContact O-CG 3.18Å; N334-M338 PolarHBondContact O-N 2.96Å; N334-I350 HydrophobicContact CB-CD1 4.46Å; N334-I350 VanDerWaalsContact OD1-CD1 3.27Å; N334-I350 WeakPolarHBondContact OD1-CD1 3.37Å; N334-L369 HydrophobicContact CB-CD2 3.86Å; N334-Q386 PolarHBondContact ND2-NE2 2.98Å; N334-Q386 VanDerWaalsContact ND2-NE2 3.17Å
335	R	96.9	Very high	95.2	Very high	62 Å²	62	27.9 Å²	27.9	23%	0.234	15%	0.147	C	C	.	.	H	α-helix	trans	-64.1	-38.9	178.1	-68.9	-178.4	-174.5	-162.5	-3.6	112.9	P273 I331 R332 A333 M338 N339 L373	P273-R335 HydrophobicContact CB-CB 4.36Å; P273-R335 WeakPolarHBondContact O-CD 3.45Å; P273-R335 PolarHBondContact O-NH1 3.31Å; I331-R335 WeakPolarHBondContact O-CG 3.37Å; I331-R335 PolarHBondContact O-N 2.81Å; I331-R335 VanDerWaalsContact O-N 3.16Å; R332-R335 PolarHBondContact O-N 2.84Å; R332-R335 VanDerWaalsContact O-N 3.16Å; A333-R335 PolarHBondContact O-N 2.84Å; R335-M338 PolarHBondContact O-N 2.87Å; R335-N339 PolarHBondContact O-N 2.9Å; R335-N339 VanDerWaalsContact O-N 3.1Å; R335-L373 HydrophobicContact CG-CD1 4.37Å; R335-L373 HydrophobicContact CG-CD2 3.82Å
336	I	97.2	Very high	95.6	Very high	2 Å²	2	32.2 Å²	32.2	1%	0.01	16%	0.164	C	C	.	.	H	α-helix	trans	-62.5	-49.8	178.8	-68	159.2	0	0	0	110.4	P273 Q292 L295 L296 A300 R332 A333 N334 N339	P273-I336 HydrophobicContact CB-CG1 4.37Å; P273-I336 HydrophobicContact CG-CD1 4.25Å; P273-I336 HydrophobicContact CG-CG1 3.77Å; Q292-I336 HydrophobicContact CB-CG2 4.01Å; Q292-I336 HydrophobicContact CG-CG2 4.2Å; Q292-I336 PolarHBondContact NE2-O 2.91Å; L295-I336 HydrophobicContact CB-CD1 3.76Å; L295-I336 HydrophobicContact CB-CG1 3.93Å; L295-I336 HydrophobicContact CB-CG2 3.85Å; L295-I336 HydrophobicContact CD1-CG2 4.3Å; L295-I336 WeakPolarHBondContact O-CD1 3.18Å; L296-I336 HydrophobicContact CD2-CB 4.33Å; L296-I336 HydrophobicContact CD2-CD1 4.08Å; L296-I336 HydrophobicContact CD2-CG2 4.3Å; L296-I336 HydrophobicContact CG-CD1 4.46Å; L296-I336 HydrophobicContact CG-CG2 4.15Å; A300-I336 HydrophobicContact CB-CD1 3.89Å; R332-I336 WeakPolarHBondContact O-CD1 3.22Å; R332-I336 VanDerWaalsContact O-CG1 3.24Å; R332-I336 WeakPolarHBondContact O-CG1 3.48Å; R332-I336 PolarHBondContact O-N 2.9Å; A333-I336 PolarHBondContact O-N 2.88Å; N334-I336 PolarHBondContact O-N 2.85Å; I336-N339 PolarHBondContact O-N 2.83Å
337	V	96.4	Very high	95.9	Very high	0 Å²	0	33 Å²	33	0%	0	17%	0.169	C	C	.	.	H	α-helix	trans	-75.3	-26.2	-179.1	-58.1	0	0	0	0	113.1	I307 L314 V316 A333 N334 N339 D340 L341 I348	I307-V337 HydrophobicContact CD1-CG1 4.48Å; L314-V337 HydrophobicContact CD2-CB 3.78Å; L314-V337 HydrophobicContact CD2-CG1 4.18Å; L314-V337 HydrophobicContact CD2-CG2 4.19Å; V316-V337 HydrophobicContact CG2-CG1 3.75Å; A333-V337 WeakPolarHBondContact O-CG2 3.42Å; A333-V337 PolarHBondContact O-N 2.8Å; N334-V337 WeakPolarHBondContact O-CG2 3.3Å; N334-V337 PolarHBondContact O-N 2.84Å; V337-N339 VanDerWaalsContact C-N 3.35Å; V337-D340 CarbonylContact O-C 3.59Å; V337-L341 WeakPolarHBondContact O-CA 3.45Å; V337-L341 WeakPolarHBondContact O-CB 3.34Å; V337-L341 PolarHBondContact O-N 2.9Å; V337-L341 VanDerWaalsContact O-N 3.11Å; V337-I348 HydrophobicContact CG2-CD1 3.86Å; V337-I348 HydrophobicContact CG2-CG1 4.33Å; V337-I348 HydrophobicContact CG2-CG2 4.04Å
338	M	96.6	Very high	96.2	Very high	7 Å²	7	27.7 Å²	27.7	3%	0.034	15%	0.149	C	C	.	.	H	α-helix	trans	-71.7	-26.8	174.7	-79.9	-64.3	-66	0	0	113.6	Y275 N334 R335 L341 I348 V366 L369 K370 L373	Y275-M338 HydrophobicContact CD2-CB 4.42Å; Y275-M338 HydrophobicContact CE2-CB 4.08Å; Y275-M338 HydrophobicContact CE2-CE 4.37Å; N334-M338 WeakPolarHBondContact O-CB 3.37Å; N334-M338 WeakPolarHBondContact O-CG 3.18Å; N334-M338 PolarHBondContact O-N 2.96Å; R335-M338 PolarHBondContact O-N 2.87Å; M338-L341 HydrophobicContact SD-CD1 4.45Å; M338-L341 HydrophobicContact SD-CD2 4.12Å; M338-I348 HydrophobicContact CG-CD1 4Å; M338-I348 HydrophobicContact SD-CD1 3.67Å; M338-V366 HydrophobicContact CE-CG1 4.29Å; M338-V366 HydrophobicContact SD-CG1 4.13Å; M338-L369 HydrophobicContact CE-CG 4.44Å; M338-L369 HydrophobicContact CG-CD2 3.37Å; M338-L369 HydrophobicContact CG-CG 4.02Å; M338-L369 HydrophobicContact SD-CD2 3.83Å; M338-L369 HydrophobicContact SD-CG 4.31Å; M338-K370 HydrophobicContact CE-CB 3.87Å; M338-L373 HydrophobicContact CB-CD1 4.01Å; M338-L373 HydrophobicContact CG-CD1 3.99Å
339	N	96.4	Very high	96.4	Very high	23 Å²	23	28.8 Å²	28.8	12%	0.123	15%	0.152	C	C	.	.	H	α-helix	trans	-66.5	-49.6	177	-78.6	-10.9	0	0	0	110.2	Q274 Y275 Q276 P277 Q278 R335 I336 V337	Q274-N339 PolarHBondContact O-ND2 2.84Å; Q274-N339 PolarHBondContact O-OD1 2.84Å; Y275-N339 WeakPolarHBondContact CA-OD1 3.28Å; Y275-N339 WeakPolarHBondContact CD2-OD1 3.31Å; Q276-N339 PolarHBondContact N-OD1 2.88Å; P277-N339 CarbonylContact C-O 3.59Å; P277-N339 WeakPolarHBondContact CA-O 3.32Å; Q278-N339 CarbonylContact C-O 3.54Å; Q278-N339 VanDerWaalsContact C-O 3.31Å; Q278-N339 PolarHBondContact N-O 3.36Å; R335-N339 PolarHBondContact O-N 2.9Å; R335-N339 VanDerWaalsContact O-N 3.1Å; I336-N339 PolarHBondContact O-N 2.83Å; V337-N339 VanDerWaalsContact C-N 3.35Å
340	D	94.5	Very high	96.5	Very high	22 Å²	22	28.8 Å²	28.8	12%	0.118	15%	0.152	C	C	.	.	T	Hydrogen-bonded Turn	trans	-112	57.4	176.3	-36.7	-86.6	0	0	0	110.7	Q278 Q280 V288 Q292 V337	Q278-D340 WeakPolarHBondContact O-CA 3.44Å; Q280-D340 PolarHBondContact NE2-O 2.87Å; V288-D340 HydrophobicContact CG1-CB 3.33Å; Q292-D340 PolarHBondContact NE2-O 2.87Å; Q292-D340 VanDerWaalsContact NE2-O 3.12Å; V337-D340 CarbonylContact O-C 3.59Å
341	L	94.8	Very high	96.5	Very high	22 Å²	22	28.6 Å²	28.6	12%	0.115	15%	0.151	C	C	.	.	P	Polyproline II helix	trans	-72.5	131.2	-179.2	-166.5	74.7	0	0	0	110.1	Q280 L314 V337 M338 I345 I348 V366	Q280-L341 PolarHBondContact N-O 2.79Å; L314-L341 HydrophobicContact CD2-CD1 4.03Å; V337-L341 WeakPolarHBondContact O-CA 3.45Å; V337-L341 WeakPolarHBondContact O-CB 3.34Å; V337-L341 PolarHBondContact O-N 2.9Å; V337-L341 VanDerWaalsContact O-N 3.11Å; M338-L341 HydrophobicContact SD-CD1 4.45Å; M338-L341 HydrophobicContact SD-CD2 4.12Å; L341-I345 HydrophobicContact CD1-CB 4.31Å; L341-I345 HydrophobicContact CD1-CG2 4.05Å; L341-I345 HydrophobicContact CD2-CB 4.35Å; L341-I345 HydrophobicContact CG-CB 4.23Å; L341-I345 HydrophobicContact CG-CG2 4.46Å; L341-I348 HydrophobicContact CD1-CD1 4.08Å; L341-I348 HydrophobicContact CD1-CG1 4.22Å; L341-V366 HydrophobicContact CD2-CB 4.37Å; L341-V366 HydrophobicContact CD2-CG1 3.42Å; L341-V366 VanDerWaalsContact CD2-CG1 3.42Å; L341-V366 HydrophobicContact CD2-CG2 3.97Å
342	P	94.2	Very high	96.5	Very high	4 Å²	4	25.8 Å²	25.8	3%	0.026	14%	0.136	C	C	.	.	B	Isolated β-bridge	trans	-67.1	144.4	174	-18.4	31.5	0	0	0	112.5	Q280 L284 L314 I345	Q280-P342 HydrophobicContact CG-CB 4.12Å; Q280-P342 HydrophobicContact CG-CG 4.05Å; Q280-P342 WeakPolarHBondContact O-CA 3.36Å; L284-P342 HydrophobicContact CD2-CB 4.23Å; L284-P342 HydrophobicContact CD2-CG 3.37Å; L314-P342 HydrophobicContact CD1-CG 4.31Å; P342-I345 HydrophobicContact CB-CG1 4.01Å; P342-I345 HydrophobicContact CG-CG1 4.31Å; P342-I345 WeakPolarHBondContact O-CG1 3.4Å; P342-I345 PolarHBondContact O-N 2.81Å
343	D	92.3	Very high	96.3	Very high	96 Å²	96	26.6 Å²	26.6	51%	0.513	14%	0.141	S	C	.	.	T	Hydrogen-bonded Turn	trans	-57.5	140	175.7	-78.9	-21.2	0	0	0	112.6	Q280 A282 I345	Q280-D343 PolarHBondContact O-N 2.88Å; A282-D343 HydrophobicContact CB-CB 4.36Å; D343-I345 VanDerWaalsContact C-N 3.32Å; D343-I345 PolarHBondContact O-N 3.28Å
344	G	93.6	Very high	96.1	Very high	57 Å²	57	29.5 Å²	29.5	59%	0.588	15%	0.152	S	C	*	.	T	Hydrogen-bonded Turn	trans	87.1	-10.8	178.3	0	0	0	0	0	115.2	D312 K346	D312-G344 WeakPolarHBondContact CB-O 3.32Å; G344-K346 PolarHBondContact O-N 3.03Å
345	I	96.3	Very high	95.8	Very high	15 Å²	15	30.6 Å²	30.6	8%	0.077	16%	0.158	C	C	.	.			trans	-71.7	125.8	175.6	-58.4	-59.6	0	0	0	110.7	D312 L314 L341 P342 D343 T347 V366	D312-I345 WeakPolarHBondContact O-CA 3.38Å; L314-I345 HydrophobicContact CB-CD1 4.28Å; L314-I345 HydrophobicContact CB-CG1 4.33Å; L314-I345 HydrophobicContact CB-CG2 3.73Å; L341-I345 HydrophobicContact CD1-CB 4.31Å; L341-I345 HydrophobicContact CD1-CG2 4.05Å; L341-I345 HydrophobicContact CD2-CB 4.35Å; L341-I345 HydrophobicContact CG-CB 4.23Å; L341-I345 HydrophobicContact CG-CG2 4.46Å; P342-I345 HydrophobicContact CB-CG1 4.01Å; P342-I345 HydrophobicContact CG-CG1 4.31Å; P342-I345 WeakPolarHBondContact O-CG1 3.4Å; P342-I345 PolarHBondContact O-N 2.81Å; D343-I345 VanDerWaalsContact C-N 3.32Å; D343-I345 PolarHBondContact O-N 3.28Å; I345-T347 WeakPolarHBondContact CG2-O 3.38Å; I345-V366 HydrophobicContact CG2-CG2 4.18Å
346	K	97.5	Very high	95.6	Very high	132 Å²	132	29.8 Å²	29.8	57%	0.574	16%	0.158	S	C	*	.			trans	-111.9	-24.1	176.7	-63.8	178.7	-173.7	169.4	0	112.9	D312 G344 V366	D312-K346 HydrophobicContact CB-CB 4.29Å; D312-K346 HydrophobicContact CB-CD 4.3Å; D312-K346 HydrophobicContact CB-CG 4.23Å; D312-K346 PolarHBondContact O-N 2.86Å; G344-K346 PolarHBondContact O-N 3.03Å; K346-V366 VanDerWaalsContact C-CG2 3.44Å; K346-V366 VanDerWaalsContact O-CB 3.31Å; K346-V366 WeakPolarHBondContact O-CB 3.41Å; K346-V366 VanDerWaalsContact O-CG2 3.3Å; K346-V366 WeakPolarHBondContact O-CG2 3.34Å; K346-V366 PolarHBondContact O-N 3.3Å
347	T	98.2	Very high	95.5	Very high	27 Å²	27	29.8 Å²	29.8	17%	0.166	16%	0.159	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-127.7	133.4	-176.4	-52.6	0	0	0	0	110.5	D312 T313 L314 I345 R349 E363	D312-T347 PolarHBondContact O-N 2.84Å; D312-T347 VanDerWaalsContact O-N 3.11Å; T313-T347 CarbonylContact C-O 3.31Å; T313-T347 WeakPolarHBondContact CA-O 3.39Å; T313-T347 HydrophobicContact CG2-CG2 4.32Å; L314-T347 PolarHBondContact N-O 3.12Å; I345-T347 WeakPolarHBondContact CG2-O 3.38Å; T347-R349 HydrophobicContact CG2-CG 4.19Å; T347-E363 HydrophobicContact CG2-CG 3.69Å
348	I	98.2	Very high	95.5	Very high	0 Å²	0	30.7 Å²	30.7	0%	0	16%	0.164	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-107.4	130.3	168.8	-63.2	159.9	0	0	0	108.2	L314 V337 M338 L341 I350 E363 T364 V366 L369	L314-I348 CarbonylContact O-C 3.5Å; L314-I348 WeakPolarHBondContact O-CA 3.49Å; V337-I348 HydrophobicContact CG2-CD1 3.86Å; V337-I348 HydrophobicContact CG2-CG1 4.33Å; V337-I348 HydrophobicContact CG2-CG2 4.04Å; M338-I348 HydrophobicContact CG-CD1 4Å; M338-I348 HydrophobicContact SD-CD1 3.67Å; L341-I348 HydrophobicContact CD1-CD1 4.08Å; L341-I348 HydrophobicContact CD1-CG1 4.22Å; I348-I350 HydrophobicContact CG2-CD1 4.24Å; I348-I350 HydrophobicContact CG2-CG1 3.83Å; I348-E363 WeakPolarHBondContact O-CA 3.04Å; I348-T364 PolarHBondContact N-O 2.88Å; I348-T364 PolarHBondContact O-N 2.78Å; I348-V366 HydrophobicContact CD1-CG2 3.85Å; I348-V366 HydrophobicContact CG1-CG2 3.8Å; I348-L369 HydrophobicContact CD1-CD2 4.09Å
349	R	98.2	Very high	95.4	Very high	54 Å²	54	30.4 Å²	30.4	20%	0.204	16%	0.163	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-121.6	110.3	175.7	-76.5	-175.1	174.5	158.9	-5	109.6	T313 L314 Y315 V316 T347 T361 T362 E363	T313-R349 HydrophobicContact CG2-CB 4.4Å; T313-R349 HydrophobicContact CG2-CG 4.05Å; L314-R349 PolarHBondContact O-N 2.96Å; Y315-R349 CarbonylContact C-O 3.57Å; Y315-R349 WeakPolarHBondContact CA-O 3.2Å; Y315-R349 HydrophobicContact CD1-CB 4.02Å; Y315-R349 HydrophobicContact CE1-CB 4.37Å; Y315-R349 PolarHBondContact OH-NH1 2.82Å; V316-R349 PolarHBondContact N-O 2.75Å; T347-R349 HydrophobicContact CG2-CG 4.19Å; R349-T361 HydrophobicContact CB-CG2 3.68Å; R349-T361 HydrophobicContact CG-CG2 3.96Å; R349-T362 WeakPolarHBondContact CA-O 3.46Å; R349-E363 HydrophobicContact CG-CB 4.36Å; R349-E363 HydrophobicContact CG-CG 4.34Å; R349-E363 IonicContact CZ-OE2 2.77Å; R349-E363 IonicContact NE-OE2 2.72Å; R349-E363 PolarHBondContact NE-OE2 3.04Å; R349-E363 IonicContact NH2-OE2 2.67Å; R349-E363 PolarHBondContact NH2-OE2 2.79Å
350	I	98.1	Very high	95.4	Very high	0 Å²	0	29.3 Å²	29.3	0%	0	16%	0.157	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-103.4	111.4	177.6	-51.3	-178.6	0	0	0	108.7	L302 V316 I330 A333 N334 I348 T361 T362	L302-I350 HydrophobicContact CD1-CG2 4.42Å; V316-I350 HydrophobicContact CB-CB 4.44Å; V316-I350 HydrophobicContact CB-CG1 4.09Å; V316-I350 HydrophobicContact CB-CG2 4.24Å; V316-I350 HydrophobicContact CG1-CG2 4.35Å; V316-I350 HydrophobicContact CG2-CG1 4.37Å; V316-I350 CarbonylContact O-C 3.52Å; V316-I350 VanDerWaalsContact O-CA 3.29Å; V316-I350 WeakPolarHBondContact O-CA 3.39Å; I330-I350 HydrophobicContact CD1-CB 3.85Å; I330-I350 HydrophobicContact CD1-CG2 3.39Å; I330-I350 HydrophobicContact CG2-CD1 4.28Å; A333-I350 HydrophobicContact CB-CD1 3.65Å; N334-I350 HydrophobicContact CB-CD1 4.46Å; N334-I350 VanDerWaalsContact OD1-CD1 3.27Å; N334-I350 WeakPolarHBondContact OD1-CD1 3.37Å; I348-I350 HydrophobicContact CG2-CD1 4.24Å; I348-I350 HydrophobicContact CG2-CG1 3.83Å; I350-T361 CarbonylContact O-C 3.6Å; I350-T361 WeakPolarHBondContact O-CA 3.14Å; I350-T362 PolarHBondContact N-O 3.48Å; I350-T362 PolarHBondContact O-N 2.83Å
351	T	97.1	Very high	95.5	Very high	1 Å²	1	28.2 Å²	28.2	1%	0.006	15%	0.151	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-100.8	119.1	-179.3	-56.3	0	0	0	0	110.3	V316 T317 G318 P358 A360 T361 P391 V392 V393	V316-T351 PolarHBondContact O-N 2.91Å; T317-T351 WeakPolarHBondContact CA-O 3.32Å; G318-T351 PolarHBondContact N-O 3.09Å; T351-P358 HydrophobicContact CG2-CB 4.01Å; T351-A360 WeakPolarHBondContact CA-O 3.49Å; T351-T361 PolarHBondContact OG1-OG1 3.46Å; T351-P391 HydrophobicContact CG2-CB 4.25Å; T351-V392 PolarHBondContact OG1-O 2.99Å; T351-V393 HydrophobicContact CG2-CG2 4.03Å
352	E	95.9	Very high	95.7	Very high	1 Å²	1	27.5 Å²	27.5	1%	0.005	15%	0.148	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-86.5	126.4	175	-59.4	-173.7	89.1	0	0	109.7	G318 S326 I330 Q359 A360	G318-E352 WeakPolarHBondContact O-CA 3.25Å; S326-E352 VanDerWaalsContact CB-CD 3.47Å; S326-E352 WeakPolarHBondContact CB-OE1 3.3Å; S326-E352 VanDerWaalsContact CB-OE2 3.3Å; S326-E352 WeakPolarHBondContact CB-OE2 3.43Å; S326-E352 PolarHBondContact OG-OE2 2.96Å; I330-E352 HydrophobicContact CD1-CG 3.94Å; E352-Q359 VanDerWaalsContact O-CB 3.31Å; E352-Q359 WeakPolarHBondContact O-CB 3.33Å; E352-Q359 PolarHBondContact O-N 2.87Å; E352-A360 PolarHBondContact N-O 2.76Å
353	N	94.2	Very high	95.8	Very high	29 Å²	29	28.9 Å²	28.9	16%	0.155	15%	0.154	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-106.7	156.9	175.7	-70.3	-0.7	0	0	0	110.5	T317 G318 E319 M357 P358	T317-N353 WeakPolarHBondContact CG2-ND2 3.35Å; G318-N353 PolarHBondContact O-N 2.8Å; E319-N353 VanDerWaalsContact CA-O 3.25Å; E319-N353 WeakPolarHBondContact CA-O 3.45Å; E319-N353 WeakPolarHBondContact CB-O 3.39Å; E319-N353 WeakPolarHBondContact CG-O 3Å; N353-M357 WeakPolarHBondContact CA-O 3.35Å; N353-P358 VanDerWaalsContact OD1-CA 3.28Å; N353-P358 WeakPolarHBondContact OD1-CA 3.3Å; N353-P358 WeakPolarHBondContact OD1-CB 3.19Å
354	R	93.3	Very high	96.1	Very high	61 Å²	61	24.3 Å²	24.3	23%	0.23	13%	0.129	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-144.8	123.5	167.3	-167.4	151.3	-179.7	-159.7	-0.3	109.6	N356 M357 Q359 D673 M674 S676	R354-N356 PolarHBondContact O-N 2.86Å; R354-M357 PolarHBondContact N-O 2.88Å; R354-M357 WeakPolarHBondContact O-CB 3.23Å; R354-M357 PolarHBondContact O-N 2.95Å; R354-Q359 HydrophobicContact CB-CG 4.02Å; R354-D673 PolarHBondContact NH1-O 3.23Å; R354-D673 VanDerWaalsContact NH1-O 3.11Å; R354-M674 VanDerWaalsContact CD-O 3.29Å; R354-M674 WeakPolarHBondContact CD-O 3.14Å; R354-S676 PolarHBondContact NH1-OG 3.16Å
355	L	92	Very high	96.4	Very high	28 Å²	28	24.6 Å²	24.6	15%	0.147	12%	0.118	C	C	.	.	T	Hydrogen-bonded Turn	trans	50.7	45.7	-175.8	-62	168.7	0	0	0	112.1	E319 M357 W440 L446 F498 F669 M674	E319-L355 PolarHBondContact OE2-N 3.23Å; L355-M357 HydrophobicContact CB-CE 4.41Å; L355-M357 PolarHBondContact O-N 3.1Å; L355-W440 HydrophobicContact CB-CH2 4.19Å; L355-W440 HydrophobicContact CB-CZ2 4.31Å; L355-W440 HydrophobicContact CD2-CH2 4.49Å; L355-W440 HydrophobicContact CD2-CZ2 3.92Å; L355-L446 HydrophobicContact CD2-CD2 4.38Å; L355-F498 HydrophobicContact CD1-CZ 4.37Å; L355-F669 HydrophobicContact CD1-CD1 3.86Å; L355-F669 HydrophobicContact CD1-CE1 3.96Å; L355-M674 HydrophobicContact CD1-CG 3.9Å; L355-M674 HydrophobicContact CD1-SD 3.33Å; L355-M674 WeakPolarHBondContact CD1-SD 3.47Å
356	N	92.1	Very high	96.4	Very high	44 Å²	44	24.6 Å²	24.6	24%	0.235	12%	0.118	C	C	.	.	T	Hydrogen-bonded Turn	trans	60.8	6.4	-175.5	-66.1	-17.9	0	0	0	116.2	R354 K405 W440 D443	R354-N356 PolarHBondContact O-N 2.86Å; N356-K405 VanDerWaalsContact CG-NZ 3.28Å; N356-K405 PolarHBondContact ND2-NZ 2.9Å; N356-K405 PolarHBondContact OD1-NZ 3.39Å; N356-W440 HydrophobicContact CB-CH2 4.49Å; N356-D443 VanDerWaalsContact CB-O 3.25Å; N356-D443 WeakPolarHBondContact CB-O 3.4Å; N356-D443 PolarHBondContact ND2-O 2.66Å
357	M	95.2	Very high	96.3	Very high	3 Å²	3	21.1 Å²	21.1	2%	0.015	11%	0.114	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-94.1	121.7	171.1	-62.7	-178	-73	0	0	109.1	N353 R354 L355 Q359 F498 Y506 L671 M674	N353-M357 WeakPolarHBondContact CA-O 3.35Å; R354-M357 PolarHBondContact N-O 2.88Å; R354-M357 WeakPolarHBondContact O-CB 3.23Å; R354-M357 PolarHBondContact O-N 2.95Å; L355-M357 HydrophobicContact CB-CE 4.41Å; L355-M357 PolarHBondContact O-N 3.1Å; M357-Q359 PolarHBondContact O-NE2 2.87Å; M357-F498 HydrophobicContact CE-CB 4.28Å; M357-F498 HydrophobicContact CE-CD1 4.23Å; M357-F498 HydrophobicContact CE-CG 4.39Å; M357-F498 HydrophobicContact CG-CB 4.15Å; M357-F498 HydrophobicContact SD-CB 3.92Å; M357-Y506 HydrophobicContact CB-CD1 4.14Å; M357-Y506 HydrophobicContact CB-CE1 4.04Å; M357-Y506 HydrophobicContact CG-CD1 4.41Å; M357-Y506 HydrophobicContact SD-CD1 3.79Å; M357-L671 HydrophobicContact CE-CD2 4.34Å; M357-L671 HydrophobicContact SD-CD2 4.28Å; M357-M674 HydrophobicContact CE-CB 4.25Å; M357-M674 HydrophobicContact CE-CE 4.25Å; M357-M674 HydrophobicContact CE-SD 4.16Å
358	P	96	Very high	96.3	Very high	19 Å²	19	20.4 Å²	20.4	12%	0.123	11%	0.11	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-72	136.4	175.9	33.4	-38	0	0	0	110.3	T351 N353 P391 V393 H500 Y506	T351-P358 HydrophobicContact CG2-CB 4.01Å; N353-P358 VanDerWaalsContact OD1-CA 3.28Å; N353-P358 WeakPolarHBondContact OD1-CA 3.3Å; N353-P358 WeakPolarHBondContact OD1-CB 3.19Å; P358-P391 HydrophobicContact CB-CB 3.6Å; P358-P391 HydrophobicContact CB-CG 4.21Å; P358-P391 HydrophobicContact CG-CB 4.06Å; P358-P391 HydrophobicContact CG-CG 4.24Å; P358-V393 HydrophobicContact CB-CG2 4.02Å; P358-V393 HydrophobicContact CG-CG2 4.41Å; P358-H500 HydrophobicContact CG-CB 4.33Å; P358-Y506 WeakPolarHBondContact O-CE1 3.49Å; P358-Y506 PolarHBondContact O-OH 3.25Å
359	Q	95	Very high	96.2	Very high	0 Å²	0	20.9 Å²	20.9	0%	0	11%	0.112	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-105.2	-58.3	-169.7	-57.4	-56.3	-42.1	0	0	111.5	E352 R354 M357 T675 D677 R678	E352-Q359 VanDerWaalsContact O-CB 3.31Å; E352-Q359 WeakPolarHBondContact O-CB 3.33Å; E352-Q359 PolarHBondContact O-N 2.87Å; R354-Q359 HydrophobicContact CB-CG 4.02Å; M357-Q359 PolarHBondContact O-NE2 2.87Å; Q359-T675 VanDerWaalsContact OE1-CA 3.28Å; Q359-D677 HydrophobicContact CB-CB 4.03Å; Q359-D677 HydrophobicContact CG-CB 4.24Å; Q359-R678 HydrophobicContact CB-CG 4.22Å; Q359-R678 WeakPolarHBondContact O-CG 3.41Å; Q359-R678 PolarHBondContact O-NH1 2.79Å
360	A	96.1	Very high	96	Very high	0 Å²	0	23.7 Å²	23.7	0%	0	13%	0.126	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-154	149	-178.1	0	0	0	0	0	110.1	T351 E352 L530	T351-A360 WeakPolarHBondContact CA-O 3.49Å; E352-A360 PolarHBondContact N-O 2.76Å; A360-L530 HydrophobicContact CB-CD1 3.67Å
361	T	97.5	Very high	95.8	Very high	0 Å²	0	27.8 Å²	27.8	0%	0	15%	0.148	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-111.4	128.7	171.3	-61.9	0	0	0	0	109.5	R349 I350 T351 R388 V389 P391 V392	R349-T361 HydrophobicContact CB-CG2 3.68Å; R349-T361 HydrophobicContact CG-CG2 3.96Å; I350-T361 CarbonylContact O-C 3.6Å; I350-T361 WeakPolarHBondContact O-CA 3.14Å; T351-T361 PolarHBondContact OG1-OG1 3.46Å; T361-R388 WeakPolarHBondContact O-CA 3.12Å; T361-V389 HydrophobicContact CG2-CG2 4.27Å; T361-V389 PolarHBondContact N-O 2.95Å; T361-V389 PolarHBondContact O-N 3.26Å; T361-P391 WeakPolarHBondContact OG1-CA 3.2Å; T361-V392 PolarHBondContact OG1-N 3.08Å
362	T	97.8	Very high	95.6	Very high	6 Å²	6	30.8 Å²	30.8	4%	0.037	16%	0.162	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-92.3	110.3	166.9	-56.6	0	0	0	0	108.8	I330 R349 I350 Q386	I330-T362 HydrophobicContact CG2-CG2 3.93Å; R349-T362 WeakPolarHBondContact CA-O 3.46Å; I350-T362 PolarHBondContact N-O 3.48Å; I350-T362 PolarHBondContact O-N 2.83Å; T362-Q386 VanDerWaalsContact CG2-CD 3.44Å; T362-Q386 HydrophobicContact CG2-CG 3.37Å
363	E	98.2	Very high	95.5	Very high	33 Å²	33	32.4 Å²	32.4	15%	0.154	17%	0.171	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-88.9	125.5	174.3	-179.2	170.9	105.7	0	0	109.2	T347 I348 R349 Q386 K387	T347-E363 HydrophobicContact CG2-CG 3.69Å; I348-E363 WeakPolarHBondContact O-CA 3.04Å; R349-E363 HydrophobicContact CG-CB 4.36Å; R349-E363 HydrophobicContact CG-CG 4.34Å; R349-E363 IonicContact CZ-OE2 2.77Å; R349-E363 IonicContact NE-OE2 2.72Å; R349-E363 PolarHBondContact NE-OE2 3.04Å; R349-E363 IonicContact NH2-OE2 2.67Å; R349-E363 PolarHBondContact NH2-OE2 2.79Å; E363-Q386 CarbonylContact O-C 3.39Å; E363-Q386 VanDerWaalsContact O-CA 3.26Å; E363-Q386 WeakPolarHBondContact O-CA 3.3Å; E363-K387 HydrophobicContact CB-CG 4.27Å; E363-K387 PolarHBondContact N-O 2.95Å; E363-K387 PolarHBondContact O-N 2.9Å; E363-K387 WeakPolarHBondContact OE1-CE 3.2Å; E363-K387 IonicContact OE1-NZ 3.21Å; E363-K387 PolarHBondContact OE1-NZ 2.91Å
364	T	98.4	Very high	95.5	Very high	0 Å²	0	34.5 Å²	34.5	0%	0	19%	0.192	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-129.3	126.8	-177.1	-48	0	0	0	0	109.9	I348 L369 L384 Q386	I348-T364 PolarHBondContact N-O 2.88Å; I348-T364 PolarHBondContact O-N 2.78Å; T364-L369 HydrophobicContact CG2-CB 3.92Å; T364-L369 HydrophobicContact CG2-CD2 3.9Å; T364-L369 HydrophobicContact CG2-CG 4.33Å; T364-L384 HydrophobicContact CG2-CD1 4.44Å; T364-Q386 HydrophobicContact CG2-CB 4.35Å; T364-Q386 PolarHBondContact OG1-NE2 3.47Å
365	D	98.3	Very high	95.3	Very high	64 Å²	64	34.1 Å²	34.1	34%	0.342	21%	0.207	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-73.3	127.6	171.1	178.9	-89.7	0	0	0	110.4	A367 S368 L369 A385	D365-A367 WeakPolarHBondContact OD1-CB 3.31Å; D365-A367 PolarHBondContact OD1-N 2.84Å; D365-S368 WeakPolarHBondContact OD1-CB 3.41Å; D365-S368 PolarHBondContact OD1-N 3.45Å; D365-L369 WeakPolarHBondContact O-CB 3.47Å; D365-L369 PolarHBondContact O-N 3.25Å; D365-A385 HydrophobicContact CB-CB 3.85Å; D365-A385 PolarHBondContact N-O 2.9Å
366	V	97.6	Very high	95.1	Very high	15 Å²	15	35 Å²	35	9%	0.091	21%	0.21	C	C	.	.	H	α-helix	trans	-66.3	-40.2	-175.4	166.3	0	0	0	0	111.9	M338 L341 I345 K346 I348 L369 K370	M338-V366 HydrophobicContact CE-CG1 4.29Å; M338-V366 HydrophobicContact SD-CG1 4.13Å; L341-V366 HydrophobicContact CD2-CB 4.37Å; L341-V366 HydrophobicContact CD2-CG1 3.42Å; L341-V366 VanDerWaalsContact CD2-CG1 3.42Å; L341-V366 HydrophobicContact CD2-CG2 3.97Å; I345-V366 HydrophobicContact CG2-CG2 4.18Å; K346-V366 VanDerWaalsContact C-CG2 3.44Å; K346-V366 VanDerWaalsContact O-CB 3.31Å; K346-V366 WeakPolarHBondContact O-CB 3.41Å; K346-V366 VanDerWaalsContact O-CG2 3.3Å; K346-V366 WeakPolarHBondContact O-CG2 3.34Å; K346-V366 PolarHBondContact O-N 3.3Å; I348-V366 HydrophobicContact CD1-CG2 3.85Å; I348-V366 HydrophobicContact CG1-CG2 3.8Å; V366-L369 PolarHBondContact O-N 3.31Å; V366-K370 VanDerWaalsContact O-CB 3.27Å; V366-K370 WeakPolarHBondContact O-CB 3.41Å; V366-K370 PolarHBondContact O-N 2.73Å
367	A	95.9	Very high	94.8	Very high	58 Å²	58	37.3 Å²	37.3	48%	0.479	23%	0.227	S	C	.	.	H	α-helix	trans	-67.9	-43.7	-177.1	0	0	0	0	0	110.7	D365 K370 N371	D365-A367 WeakPolarHBondContact OD1-CB 3.31Å; D365-A367 PolarHBondContact OD1-N 2.84Å; A367-K370 PolarHBondContact O-N 2.8Å; A367-N371 PolarHBondContact O-N 2.84Å; A367-N371 VanDerWaalsContact O-N 3.14Å
368	S	96.5	Very high	94.4	Very high	13 Å²	13	45.3 Å²	45.3	9%	0.091	27%	0.269	C	S	.	.	H	α-helix	trans	-60.9	-47.8	173.6	-175.9	0	0	0	0	111.5	D365 K370 N371 H372 A385	D365-S368 WeakPolarHBondContact OD1-CB 3.41Å; D365-S368 PolarHBondContact OD1-N 3.45Å; S368-K370 VanDerWaalsContact C-N 3.34Å; S368-K370 PolarHBondContact O-N 2.87Å; S368-N371 PolarHBondContact O-N 2.9Å; S368-H372 PolarHBondContact O-N 2.97Å; S368-H372 PolarHBondContact O-ND1 2.67Å; S368-A385 PolarHBondContact OG-N 3.18Å
369	L	96.7	Very high	94	Very high	9 Å²	9	48 Å²	48	5%	0.047	30%	0.301	C	S	.	.	H	α-helix	trans	-62.7	-40	178.2	-179.9	60.4	0	0	0	112.4	N334 M338 I348 T364 D365 V366 N371 H372 L373 L384	N334-L369 HydrophobicContact CB-CD2 3.86Å; M338-L369 HydrophobicContact CE-CG 4.44Å; M338-L369 HydrophobicContact CG-CD2 3.37Å; M338-L369 HydrophobicContact CG-CG 4.02Å; M338-L369 HydrophobicContact SD-CD2 3.83Å; M338-L369 HydrophobicContact SD-CG 4.31Å; I348-L369 HydrophobicContact CD1-CD2 4.09Å; T364-L369 HydrophobicContact CG2-CB 3.92Å; T364-L369 HydrophobicContact CG2-CD2 3.9Å; T364-L369 HydrophobicContact CG2-CG 4.33Å; D365-L369 WeakPolarHBondContact O-CB 3.47Å; D365-L369 PolarHBondContact O-N 3.25Å; V366-L369 PolarHBondContact O-N 3.31Å; L369-N371 VanDerWaalsContact C-N 3.35Å; L369-N371 PolarHBondContact O-N 2.75Å; L369-H372 PolarHBondContact O-N 2.77Å; L369-L373 HydrophobicContact CD1-CD1 3.95Å; L369-L373 HydrophobicContact CD1-CD2 4.49Å; L369-L373 HydrophobicContact CD1-CG 3.95Å; L369-L373 HydrophobicContact CD2-CD1 4.47Å; L369-L373 HydrophobicContact CG-CD1 3.87Å; L369-L373 HydrophobicContact CG-CG 4.27Å; L369-L373 WeakPolarHBondContact O-CB 3.43Å; L369-L373 WeakPolarHBondContact O-CG 3.31Å; L369-L373 PolarHBondContact O-N 2.69Å; L369-L384 HydrophobicContact CB-CD1 4.05Å; L369-L384 HydrophobicContact CD1-CD1 4.1Å
370	K	95.1	Very high	93.5	Very high	113 Å²	113	54.4 Å²	54.4	49%	0.491	33%	0.331	S	S	.	.	H	α-helix	trans	-58.5	-45.7	175.9	-178.3	173.7	-178.8	177.8	0	111.7	M338 V366 A367 S368 H372 L373 A374	M338-K370 HydrophobicContact CE-CB 3.87Å; V366-K370 VanDerWaalsContact O-CB 3.27Å; V366-K370 WeakPolarHBondContact O-CB 3.41Å; V366-K370 PolarHBondContact O-N 2.73Å; A367-K370 PolarHBondContact O-N 2.8Å; S368-K370 VanDerWaalsContact C-N 3.34Å; S368-K370 PolarHBondContact O-N 2.87Å; K370-H372 PolarHBondContact O-N 2.98Å; K370-L373 PolarHBondContact O-N 3.5Å; K370-A374 VanDerWaalsContact O-CB 3.28Å; K370-A374 WeakPolarHBondContact O-CB 3.41Å; K370-A374 PolarHBondContact O-N 2.67Å
371	N	92.9	Very high	93	Very high	86 Å²	86	62.2 Å²	62.2	46%	0.46	37%	0.367	S	S	.	.	H	α-helix	trans	-60.7	-45.2	177.9	-67.7	-14.3	0	0	0	111.4	A367 S368 L369 L373 A374 G375 E376	A367-N371 PolarHBondContact O-N 2.84Å; A367-N371 VanDerWaalsContact O-N 3.14Å; S368-N371 PolarHBondContact O-N 2.9Å; L369-N371 VanDerWaalsContact C-N 3.35Å; L369-N371 PolarHBondContact O-N 2.75Å; N371-L373 PolarHBondContact O-N 3.44Å; N371-A374 PolarHBondContact O-N 2.94Å; N371-G375 CarbonylContact O-C 3.58Å; N371-G375 PolarHBondContact O-N 2.84Å; N371-E376 HydrophobicContact CB-CG 4.45Å
372	H	93.6	Very high	92.6	Very high	64 Å²	64	65.6 Å²	65.6	30%	0.296	39%	0.388	S	S	.	.	H	α-helix	trans	-64.5	-37.9	178.4	-74.8	71.1	0	0	0	113.2	S368 L369 K370 T382 L384	S368-H372 PolarHBondContact O-N 2.97Å; S368-H372 PolarHBondContact O-ND1 2.67Å; L369-H372 PolarHBondContact O-N 2.77Å; K370-H372 PolarHBondContact O-N 2.98Å; H372-T382 PolarHBondContact CE1-O 2.86Å; H372-T382 PolarHBondContact CE1-OG1 2.85Å; H372-T382 VanDerWaalsContact CE1-OG1 3.25Å; H372-T382 PolarHBondContact NE2-O 3.16Å; H372-L384 WeakPolarHBondContact CE1-CA 3.46Å; H372-L384 PolarHBondContact CE1-N 3.33Å; H372-L384 VanDerWaalsContact CE1-N 3.28Å; H372-L384 WeakPolarHBondContact NE2-CA 3.25Å; H372-L384 PolarHBondContact NE2-N 2.73Å
373	L	94	Very high	92.3	Very high	36 Å²	36	71.7 Å²	71.7	19%	0.188	43%	0.425	C	S	.	.	H	α-helix	trans	-77.9	-34.5	-179.7	-69.2	177.6	0	0	0	112.9	Y275 R335 M338 L369 K370 N371 G375	Y275-L373 HydrophobicContact CD1-CB 3.58Å; Y275-L373 HydrophobicContact CD2-CB 4.04Å; Y275-L373 HydrophobicContact CD2-CD1 3.75Å; Y275-L373 HydrophobicContact CD2-CG 4.5Å; Y275-L373 HydrophobicContact CE1-CB 3.94Å; Y275-L373 HydrophobicContact CE2-CB 4.39Å; Y275-L373 HydrophobicContact CE2-CD1 4.06Å; Y275-L373 HydrophobicContact CG-CB 3.63Å; Y275-L373 HydrophobicContact CG-CD1 4.15Å; Y275-L373 HydrophobicContact CG-CG 4.42Å; R335-L373 HydrophobicContact CG-CD1 4.37Å; R335-L373 HydrophobicContact CG-CD2 3.82Å; M338-L373 HydrophobicContact CB-CD1 4.01Å; M338-L373 HydrophobicContact CG-CD1 3.99Å; L369-L373 HydrophobicContact CD1-CD1 3.95Å; L369-L373 HydrophobicContact CD1-CD2 4.49Å; L369-L373 HydrophobicContact CD1-CG 3.95Å; L369-L373 HydrophobicContact CD2-CD1 4.47Å; L369-L373 HydrophobicContact CG-CD1 3.87Å; L369-L373 HydrophobicContact CG-CG 4.27Å; L369-L373 WeakPolarHBondContact O-CB 3.43Å; L369-L373 WeakPolarHBondContact O-CG 3.31Å; L369-L373 PolarHBondContact O-N 2.69Å; K370-L373 PolarHBondContact O-N 3.5Å; N371-L373 PolarHBondContact O-N 3.44Å; L373-G375 VanDerWaalsContact C-N 3.3Å
374	A	92.5	Very high	92.1	Very high	73 Å²	73	72.3 Å²	72.3	60%	0.603	43%	0.429	S	S	*	.	H	α-helix	trans	-75.5	-20.8	175.9	0	0	0	0	0	112.9	Y275 K370 N371	Y275-A374 HydrophobicContact CE1-CB 4.29Å; K370-A374 VanDerWaalsContact O-CB 3.28Å; K370-A374 WeakPolarHBondContact O-CB 3.41Å; K370-A374 PolarHBondContact O-N 2.67Å; N371-A374 PolarHBondContact O-N 2.94Å
375	G	89	Confident	92	Very high	52 Å²	52	74.9 Å²	74.9	54%	0.536	45%	0.451	S	S	.	.			trans	96.5	139.3	-176.1	0	0	0	0	0	111.6	N371 L373	N371-G375 CarbonylContact O-C 3.58Å; N371-G375 PolarHBondContact O-N 2.84Å; L373-G375 VanDerWaalsContact C-N 3.3Å
376	E	88.3	Confident	91.9	Very high	48 Å²	48	75.4 Å²	75.4	22%	0.224	45%	0.451	C	S	.	.			trans	-105.4	148.5	179	-63	-176.9	130.5	0	0	110.2	N371 L378 E381 T382	N371-E376 HydrophobicContact CB-CG 4.45Å; E376-L378 PolarHBondContact O-N 3Å; E376-E381 VanDerWaalsContact OE2-CA 3.29Å; E376-E381 WeakPolarHBondContact OE2-CA 3.38Å; E376-T382 WeakPolarHBondContact OE1-CB 3.35Å; E376-T382 WeakPolarHBondContact OE1-CG2 3.49Å; E376-T382 PolarHBondContact OE1-OG1 2.94Å; E376-T382 PolarHBondContact OE2-N 2.88Å
377	P	87.1	Confident	91.9	Very high	92 Å²	92	80.1 Å²	80.1	60%	0.597	47%	0.47	S	S	*	.			trans	-56	140.1	173.5	-22.1	32.5	0	0	0	110.9	G379 H380	P377-G379 PolarHBondContact O-N 2.78Å; P377-H380 HydrophobicContact CB-CB 4.35Å; P377-H380 PolarHBondContact O-N 3.36Å
378	L	86	Confident	91.8	Very high	170 Å²	170	79.9 Å²	79.9	89%	0.89	46%	0.457	S	S	*	.	T	Hydrogen-bonded Turn	trans	-50.6	130.3	176.5	-70	170.3	0	0	0	110.7	E376 H380	E376-L378 PolarHBondContact O-N 3Å; L378-H380 VanDerWaalsContact C-N 3.31Å; L378-H380 PolarHBondContact O-N 3.07Å; L378-H380 PolarHBondContact O-ND1 3.04Å
379	G	86.8	Confident	91.9	Very high	77 Å²	77	81 Å²	81	79%	0.794	46%	0.463	S	S	*	.	T	Hydrogen-bonded Turn	trans	80.4	-0.2	-178.4	0	0	0	0	0	115.8	P377	P377-G379 PolarHBondContact O-N 2.78Å
380	H	85.3	Confident	91.8	Very high	134 Å²	134	83.6 Å²	83.6	62%	0.62	48%	0.475	S	S	*	.			trans	-115.3	31	174.4	-64.3	75.6	0	0	0	111.8	P377 L378 T382	P377-H380 HydrophobicContact CB-CB 4.35Å; P377-H380 PolarHBondContact O-N 3.36Å; L378-H380 VanDerWaalsContact C-N 3.31Å; L378-H380 PolarHBondContact O-N 3.07Å; L378-H380 PolarHBondContact O-ND1 3.04Å; H380-T382 PolarHBondContact O-N 2.85Å
381	E	85	Confident	91.8	Very high	164 Å²	164	79.3 Å²	79.3	77%	0.766	46%	0.459	S	S	*	.	P	Polyproline II helix	trans	-61.8	119.4	176.8	-67.2	177	-173.4	0	0	109.6	E376	E376-E381 VanDerWaalsContact OE2-CA 3.29Å; E376-E381 WeakPolarHBondContact OE2-CA 3.38Å
382	T	89.4	Confident	91.8	Very high	71 Å²	71	77.4 Å²	77.4	44%	0.436	45%	0.45	S	S	.	.	P	Polyproline II helix	trans	-93.5	159.4	175.7	69.4	0	0	0	0	110.3	H372 E376 H380	H372-T382 PolarHBondContact CE1-O 2.86Å; H372-T382 PolarHBondContact CE1-OG1 2.85Å; H372-T382 VanDerWaalsContact CE1-OG1 3.25Å; H372-T382 PolarHBondContact NE2-O 3.16Å; E376-T382 WeakPolarHBondContact OE1-CB 3.35Å; E376-T382 WeakPolarHBondContact OE1-CG2 3.49Å; E376-T382 PolarHBondContact OE1-OG1 2.94Å; E376-T382 PolarHBondContact OE2-N 2.88Å; H380-T382 PolarHBondContact O-N 2.85Å
383	T	92.1	Very high	91.5	Very high	133 Å²	133	77.6 Å²	77.6	82%	0.816	46%	0.456	S	S	*	.	P	Polyproline II helix	trans	-79.6	126.5	171	-56.5	0	0	0	0	108.8	A385	T383-A385 PolarHBondContact O-N 2.85Å; T383-A385 VanDerWaalsContact O-N 3.11Å
384	L	93.5	Very high	91.1	Very high	47 Å²	47	76.7 Å²	76.7	25%	0.246	45%	0.452	C	S	.	.	P	Polyproline II helix	trans	-54.9	120.2	172.8	-178.4	65.2	0	0	0	109.5	T364 L369 H372 Q386	T364-L384 HydrophobicContact CG2-CD1 4.44Å; L369-L384 HydrophobicContact CB-CD1 4.05Å; L369-L384 HydrophobicContact CD1-CD1 4.1Å; H372-L384 WeakPolarHBondContact CE1-CA 3.46Å; H372-L384 PolarHBondContact CE1-N 3.33Å; H372-L384 VanDerWaalsContact CE1-N 3.28Å; H372-L384 WeakPolarHBondContact NE2-CA 3.25Å; H372-L384 PolarHBondContact NE2-N 2.73Å; L384-Q386 HydrophobicContact CD2-CB 3.86Å; L384-Q386 HydrophobicContact CG-CB 3.81Å; L384-Q386 PolarHBondContact O-N 2.88Å
385	A	96.5	Very high	90.6	Very high	54 Å²	54	82.8 Å²	82.8	45%	0.446	47%	0.468	S	S	.	.			trans	-74.7	75.1	176.1	0	0	0	0	0	109.5	D365 S368 T383	D365-A385 HydrophobicContact CB-CB 3.85Å; D365-A385 PolarHBondContact N-O 2.9Å; S368-A385 PolarHBondContact OG-N 3.18Å; T383-A385 PolarHBondContact O-N 2.85Å; T383-A385 VanDerWaalsContact O-N 3.11Å
386	Q	96.3	Very high	90.3	Very high	74 Å²	74	83.7 Å²	83.7	35%	0.346	47%	0.466	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-132.7	135.6	-179.5	179.6	174.5	81.3	0	0	109.9	N334 T362 E363 T364 L384	N334-Q386 PolarHBondContact ND2-NE2 2.98Å; N334-Q386 VanDerWaalsContact ND2-NE2 3.17Å; T362-Q386 VanDerWaalsContact CG2-CD 3.44Å; T362-Q386 HydrophobicContact CG2-CG 3.37Å; E363-Q386 CarbonylContact O-C 3.39Å; E363-Q386 VanDerWaalsContact O-CA 3.26Å; E363-Q386 WeakPolarHBondContact O-CA 3.3Å; T364-Q386 HydrophobicContact CG2-CB 4.35Å; T364-Q386 PolarHBondContact OG1-NE2 3.47Å; L384-Q386 HydrophobicContact CD2-CB 3.86Å; L384-Q386 HydrophobicContact CG-CB 3.81Å; L384-Q386 PolarHBondContact O-N 2.88Å
387	K	96.5	Very high	89.9	Confident	114 Å²	114	84.1 Å²	84.1	50%	0.496	47%	0.472	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-144.8	152.2	178.6	64.5	-176.7	-178.4	-159.6	0	111.1	E363 V389	E363-K387 HydrophobicContact CB-CG 4.27Å; E363-K387 PolarHBondContact N-O 2.95Å; E363-K387 PolarHBondContact O-N 2.9Å; E363-K387 WeakPolarHBondContact OE1-CE 3.2Å; E363-K387 IonicContact OE1-NZ 3.21Å; E363-K387 PolarHBondContact OE1-NZ 2.91Å; K387-V389 HydrophobicContact CD-CG1 4.2Å; K387-V389 HydrophobicContact CG-CG1 4.13Å
388	R	95.8	Very high	89.8	Confident	53 Å²	53	85.8 Å²	85.8	20%	0.2	47%	0.472	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-91.7	135	170.9	-60.9	-175.6	73.4	-138.5	8.2	109.4	T361 L530 D531 D677	T361-R388 WeakPolarHBondContact O-CA 3.12Å; R388-L530 HydrophobicContact CB-CD2 4.22Å; R388-D531 IonicContact CZ-OD1 3.21Å; R388-D531 IonicContact NH1-OD1 2.68Å; R388-D531 PolarHBondContact NH1-OD1 2.91Å; R388-D531 IonicContact NH1-OD2 2.85Å; R388-D531 PolarHBondContact NH1-OD2 2.85Å; R388-D531 VanDerWaalsContact NH1-OD2 3.15Å; R388-D677 PolarHBondContact NH2-O 2.87Å
389	V	96.8	Very high	89.7	Confident	36 Å²	36	80.1 Å²	80.1	22%	0.218	44%	0.441	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-133.7	161.9	178.8	-62.1	0	0	0	0	109.9	T361 K387 V392 L530	T361-V389 HydrophobicContact CG2-CG2 4.27Å; T361-V389 PolarHBondContact N-O 2.95Å; T361-V389 PolarHBondContact O-N 3.26Å; K387-V389 HydrophobicContact CD-CG1 4.2Å; K387-V389 HydrophobicContact CG-CG1 4.13Å; V389-V392 HydrophobicContact CG2-CG2 4.26Å; V389-L530 WeakPolarHBondContact O-CD2 3.48Å
390	E	95.9	Very high	89.9	Confident	65 Å²	65	77.9 Å²	77.9	30%	0.304	42%	0.418	S	S	.	.	S	Bend	trans	-51.7	147.7	171	-73.8	-65.4	167.5	0	0	110	V392 L530 R678	E390-V392 WeakPolarHBondContact O-CG2 3.46Å; E390-V392 PolarHBondContact O-N 2.89Å; E390-L530 WeakPolarHBondContact OE1-CB 3.33Å; E390-L530 PolarHBondContact OE1-N 2.9Å; E390-R678 IonicContact OE1-CZ 3.5Å; E390-R678 IonicContact OE1-NH1 3.33Å; E390-R678 IonicContact OE1-NH2 4Å; E390-R678 PolarHBondContact OE1-NH2 2.95Å; E390-R678 IonicContact OE2-CZ 2.8Å; E390-R678 IonicContact OE2-NH1 2.61Å; E390-R678 PolarHBondContact OE2-NH1 3.16Å; E390-R678 IonicContact OE2-NH2 3.51Å; E390-R678 PolarHBondContact OE2-NH2 2.84Å
391	P	95.5	Very high	90.2	Very high	23 Å²	23	76.4 Å²	76.4	15%	0.149	41%	0.406	C	S	.	.			trans	-59.2	126.8	-168.3	20.6	-30.4	0	0	0	112.4	T351 P358 T361	T351-P391 HydrophobicContact CG2-CB 4.25Å; P358-P391 HydrophobicContact CB-CB 3.6Å; P358-P391 HydrophobicContact CB-CG 4.21Å; P358-P391 HydrophobicContact CG-CB 4.06Å; P358-P391 HydrophobicContact CG-CG 4.24Å; T361-P391 WeakPolarHBondContact OG1-CA 3.2Å
392	V	92.6	Very high	90.6	Very high	45 Å²	45	75.2 Å²	75.2	27%	0.273	40%	0.396	S	S	.	.			trans	-113.9	101.1	176.5	-170.1	0	0	0	0	109	Y315 T351 T361 V389 E390	Y315-V392 HydrophobicContact CE1-CG1 4.07Å; T351-V392 PolarHBondContact OG1-O 2.99Å; T361-V392 PolarHBondContact OG1-N 3.08Å; V389-V392 HydrophobicContact CG2-CG2 4.26Å; E390-V392 WeakPolarHBondContact O-CG2 3.46Å; E390-V392 PolarHBondContact O-N 2.89Å
393	V	87.1	Confident	90.7	Very high	69 Å²	69	73.8 Å²	73.8	42%	0.418	39%	0.385	S	S	.	.			trans	-108.1	127.3	172.3	-176.4	0	0	0	0	108.3	T351 P358 Q395	T351-V393 HydrophobicContact CG2-CG2 4.03Å; P358-V393 HydrophobicContact CB-CG2 4.02Å; P358-V393 HydrophobicContact CG-CG2 4.41Å; V393-Q395 PolarHBondContact O-N 2.98Å
394	P	86	Confident	90.4	Very high	16 Å²	16	73.4 Å²	73.4	10%	0.104	38%	0.378	C	S	.	.			trans	-70.2	128.3	-176.9	29.1	-34	0	0	0	111	Q308 Y315 S396	Q308-P394 HydrophobicContact CB-CG 4.47Å; Y315-P394 HydrophobicContact CD1-CG 4.05Å; Y315-P394 HydrophobicContact CD2-CB 4.47Å; Y315-P394 HydrophobicContact CD2-CG 4.15Å; Y315-P394 HydrophobicContact CE1-CB 4.39Å; Y315-P394 HydrophobicContact CE1-CG 4.42Å; Y315-P394 HydrophobicContact CE2-CB 4.39Å; Y315-P394 HydrophobicContact CG-CG 3.89Å; P394-S396 PolarHBondContact O-N 2.79Å
395	Q	80.8	Confident	89.9	Confident	202 Å²	202	73.9 Å²	73.9	94%	0.944	38%	0.378	S	S	*	.	S	Bend	trans	-65	-25.7	177	-70	-176.4	-20.1	0	0	113.7	V393	V393-Q395 PolarHBondContact O-N 2.98Å
396	S	82.9	Confident	89.5	Confident	71 Å²	71	75 Å²	75	50%	0.497	38%	0.383	S	S	.	.	S	Bend	trans	-145	150.3	176.9	63.8	0	0	0	0	108.7	K310 P394	K310-S396 WeakPolarHBondContact CD-O 3.5Å; K310-S396 PolarHBondContact NZ-O 3.11Å; K310-S396 PolarHBondContact NZ-OG 2.87Å; P394-S396 PolarHBondContact O-N 2.79Å
397	T	80.6	Confident	89.4	Confident	57 Å²	57	78 Å²	78	35%	0.35	39%	0.391	S	S	.	.			trans	-122.1	142.3	178	-175.5	0	0	0	0	109.9	Q308 A309 Q399	Q308-T397 WeakPolarHBondContact CB-OG1 3.31Å; Q308-T397 HydrophobicContact CG-CG2 4.34Å; A309-T397 PolarHBondContact O-OG1 2.87Å; T397-Q399 PolarHBondContact OG1-N 2.81Å; T397-Q399 PolarHBondContact OG1-O 2.84Å
398	E	83.4	Confident	89.4	Confident	127 Å²	127	78.1 Å²	78.1	59%	0.593	39%	0.392	S	S	*	.	S	Bend	trans	-76.6	-37.7	170.7	-69.5	163.8	-168.9	0	0	109.7	A309 K310 G311	A309-E398 PolarHBondContact O-N 2.96Å; K310-E398 HydrophobicContact CG-CG 4.49Å; G311-E398 PolarHBondContact N-OE1 2.75Å; G311-E398 PolarHBondContact N-OE2 3.08Å; G311-E398 VanDerWaalsContact N-OE2 3.13Å
399	Q	85.7	Confident	89.3	Confident	51 Å²	51	79.8 Å²	79.8	24%	0.238	41%	0.405	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-149.7	130.1	179.9	-54.2	179	56.2	0	0	109.4	A282 I283 L284 Q308 A309 T397	A282-Q399 PolarHBondContact O-NE2 2.84Å; I283-Q399 VanDerWaalsContact CA-OE1 3.24Å; L284-Q399 HydrophobicContact CD1-CB 3.89Å; L284-Q399 HydrophobicContact CG-CB 4.19Å; Q308-Q399 CarbonylContact C-O 3.52Å; Q308-Q399 VanDerWaalsContact CA-O 3.31Å; Q308-Q399 WeakPolarHBondContact CA-O 3.36Å; A309-Q399 PolarHBondContact N-O 2.93Å; T397-Q399 PolarHBondContact OG1-N 2.81Å; T397-Q399 PolarHBondContact OG1-O 2.84Å
400	G	89.6	Confident	89.2	Confident	30 Å²	30	83.1 Å²	83.1	31%	0.309	42%	0.417	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-158.8	143.3	178.3	0	0	0	0	0	114	I307	I307-G400 CarbonylContact O-C 3.54Å; I307-G400 WeakPolarHBondContact O-CA 3.26Å
401	W	92.2	Very high	89.2	Confident	102 Å²	102	83.1 Å²	83.1	39%	0.386	42%	0.416	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-133.1	150.9	176.9	-60.1	93.4	0	0	0	109.2	H286 V289 L293 I307	H286-W401 HydrophobicContact CB-CH2 4.16Å; H286-W401 HydrophobicContact CB-CZ2 3.97Å; H286-W401 AromaticContact CD2-CE3 3.57Å; H286-W401 AromaticContact CD2-CH2 3.35Å; H286-W401 WeakPolarHBondContact CD2-CH2 3.06Å; H286-W401 AromaticContact CD2-CZ2 3.82Å; H286-W401 AromaticContact CD2-CZ3 3.21Å; H286-W401 WeakPolarHBondContact CD2-CZ3 3.05Å; H286-W401 AromaticContact CG-CH2 4Å; H286-W401 AromaticContact NE2-CZ3 3.81Å; V289-W401 HydrophobicContact CB-CG 4.39Å; V289-W401 HydrophobicContact CG1-CB 3.63Å; V289-W401 HydrophobicContact CG1-CG 3.98Å; L293-W401 HydrophobicContact CD1-CB 4.01Å; I307-W401 PolarHBondContact N-O 2.83Å; I307-W401 PolarHBondContact O-N 2.86Å
402	Y	93.4	Very high	89.2	Confident	139 Å²	139	87.1 Å²	87.1	55%	0.545	44%	0.435	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-149	158.4	-178.1	58.8	-82.4	0	0	0	110.3	P305 D404	P305-Y402 WeakPolarHBondContact O-CA 3.36Å; Y402-D404 VanDerWaalsContact CE2-OD1 3.29Å; Y402-D404 WeakPolarHBondContact CE2-OD1 3.39Å
403	I	91.6	Very high	89.1	Confident	41 Å²	41	87.5 Å²	87.5	21%	0.21	44%	0.436	C	S	.	.	P	Polyproline II helix	trans	-87	127.8	162.3	-68.4	175.5	0	0	0	106.9	L293 K297 P305 K405	L293-I403 HydrophobicContact CB-CD1 3.93Å; L293-I403 HydrophobicContact CB-CG1 3.97Å; L293-I403 HydrophobicContact CD1-CG1 4.44Å; K297-I403 HydrophobicContact CB-CD1 4.3Å; K297-I403 HydrophobicContact CD-CD1 4.02Å; P305-I403 HydrophobicContact CG-CD1 3.92Å; P305-I403 HydrophobicContact CG-CG1 4.37Å; P305-I403 PolarHBondContact O-N 2.76Å; I403-K405 PolarHBondContact O-N 2.61Å
404	D	85.2	Confident	89.4	Confident	126 Å²	126	89.6 Å²	89.6	67%	0.674	45%	0.451	S	S	*	.	P	Polyproline II helix	trans	-53.4	127.9	176.6	-87.4	-51	0	0	0	111.3	Y402 S406	Y402-D404 VanDerWaalsContact CE2-OD1 3.29Å; Y402-D404 WeakPolarHBondContact CE2-OD1 3.39Å; D404-S406 PolarHBondContact O-N 3.05Å
405	K	82.9	Confident	89.7	Confident	57 Å²	57	90.3 Å²	90.3	25%	0.248	46%	0.455	C	S	.	.	P	Polyproline II helix	trans	-71.7	123	170.9	172.1	161.9	178.7	167	0	109.4	D304 N356 I403 R407	D304-K405 HydrophobicContact CB-CB 4.01Å; D304-K405 WeakPolarHBondContact OD2-CD 3.46Å; D304-K405 VanDerWaalsContact OD2-CG 3.26Å; D304-K405 WeakPolarHBondContact OD2-CG 3.18Å; N356-K405 VanDerWaalsContact CG-NZ 3.28Å; N356-K405 PolarHBondContact ND2-NZ 2.9Å; N356-K405 PolarHBondContact OD1-NZ 3.39Å; I403-K405 PolarHBondContact O-N 2.61Å; K405-R407 PolarHBondContact O-N 2.93Å
406	S	89.5	Confident	90.2	Very high	78 Å²	78	84.7 Å²	84.7	55%	0.545	43%	0.431	S	S	.	.	P	Polyproline II helix	trans	-63.2	123	170.5	-168.8	0	0	0	0	109.3	D404 F408	D404-S406 PolarHBondContact O-N 3.05Å; S406-F408 PolarHBondContact OG-N 2.76Å; S406-F408 PolarHBondContact OG-O 3.47Å
407	R	93.4	Very high	90.5	Very high	135 Å²	135	84.1 Å²	84.1	51%	0.509	42%	0.422	S	S	.	.	S	Bend	trans	-76.7	-15.8	173.9	-69.5	-171.9	176.4	-138.7	-1.5	112.6	K405 L439 W440 L441	K405-R407 PolarHBondContact O-N 2.93Å; R407-L439 CarbonylContact O-C 3.58Å; R407-L439 WeakPolarHBondContact O-CA 3.47Å; R407-W440 HydrophobicContact CB-CB 4.31Å; R407-W440 HydrophobicContact CG-CB 4.42Å; R407-W440 PolarHBondContact O-N 3.37Å; R407-L441 PolarHBondContact NH1-O 3.42Å
408	F	96.1	Very high	90.9	Very high	118 Å²	118	86 Å²	86	52%	0.518	43%	0.427	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-120.8	128	178.5	178.9	-100.7	0	0	0	109.7	S406 F410 A437 D438 L439	S406-F408 PolarHBondContact OG-N 2.76Å; S406-F408 PolarHBondContact OG-O 3.47Å; F408-F410 HydrophobicContact CE1-CB 4.11Å; F408-F410 HydrophobicContact CZ-CB 4.12Å; F408-A437 HydrophobicContact CE2-CB 4.11Å; F408-A437 HydrophobicContact CZ-CB 4.41Å; F408-D438 CarbonylContact C-O 3.08Å; F408-D438 VanDerWaalsContact CA-O 3.3Å; F408-D438 WeakPolarHBondContact CA-O 3.49Å; F408-L439 HydrophobicContact CB-CD1 4.46Å; F408-L439 HydrophobicContact CD2-CD1 4.48Å
409	D	93.7	Very high	91.1	Very high	87 Å²	87	82.3 Å²	82.3	47%	0.465	42%	0.415	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-130.2	149.4	172	-172.8	66.3	0	0	0	109.7	A437 D438	D409-A437 WeakPolarHBondContact O-CA 3.44Å; D409-D438 HydrophobicContact CB-CB 4.36Å; D409-D438 PolarHBondContact N-O 3.1Å; D409-D438 PolarHBondContact O-N 3.5Å
410	F	96.2	Very high	91.2	Very high	107 Å²	107	82.1 Å²	82.1	47%	0.469	42%	0.418	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-145.4	134.2	176	170.9	-94.6	0	0	0	110.2	F408 I412 T436 A437	F408-F410 HydrophobicContact CE1-CB 4.11Å; F408-F410 HydrophobicContact CZ-CB 4.12Å; F410-I412 HydrophobicContact CD1-CG1 4.46Å; F410-I412 HydrophobicContact CE1-CD1 3.66Å; F410-I412 HydrophobicContact CE1-CG1 3.39Å; F410-I412 HydrophobicContact CZ-CD1 3.83Å; F410-I412 HydrophobicContact CZ-CG1 3.43Å; F410-I412 VanDerWaalsContact CZ-CG1 3.43Å; F410-T436 VanDerWaalsContact CA-O 3.25Å; F410-T436 WeakPolarHBondContact CA-O 3.5Å; F410-T436 WeakPolarHBondContact CD2-O 3.07Å; F410-A437 HydrophobicContact CD2-CB 4.14Å
411	H	94.1	Very high	90.8	Very high	64 Å²	64	80.9 Å²	80.9	30%	0.296	41%	0.405	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-137.5	158	176.7	65	91.3	0	0	0	111.7	D413 T436	H411-D413 IonicContact CE1-OD2 3.95Å; H411-D413 PolarHBondContact CE1-OD2 2.78Å; H411-D413 IonicContact ND1-OD1 3.18Å; H411-D413 PolarHBondContact ND1-OD1 3.09Å; H411-D413 IonicContact ND1-OD2 3.5Å; H411-D413 PolarHBondContact ND1-OD2 2.96Å; H411-T436 VanDerWaalsContact CE1-CB 3.5Å; H411-T436 WeakPolarHBondContact CE1-CB 3.34Å; H411-T436 PolarHBondContact N-O 2.76Å; H411-T436 WeakPolarHBondContact NE2-CB 2.97Å; H411-T436 WeakPolarHBondContact NE2-CG2 3.37Å; H411-T436 PolarHBondContact O-N 3.04Å
412	I	95.6	Very high	90.4	Very high	107 Å²	107	76.4 Å²	76.4	55%	0.549	39%	0.391	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-124.9	120.3	179.7	-61.5	-179	0	0	0	108	F410 V433 M434	F410-I412 HydrophobicContact CD1-CG1 4.46Å; F410-I412 HydrophobicContact CE1-CD1 3.66Å; F410-I412 HydrophobicContact CE1-CG1 3.39Å; F410-I412 HydrophobicContact CZ-CD1 3.83Å; F410-I412 HydrophobicContact CZ-CG1 3.43Å; F410-I412 VanDerWaalsContact CZ-CG1 3.43Å; I412-V433 HydrophobicContact CG2-CG1 3.17Å; I412-M434 CarbonylContact C-O 3.57Å; I412-M434 WeakPolarHBondContact CA-O 3.1Å
413	D	91.8	Very high	90	Very high	54 Å²	54	70.3 Å²	70.3	29%	0.289	37%	0.368	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-114.2	134.9	-179.5	-50.7	-71.6	0	0	0	111.2	H411 V433 M434	H411-D413 IonicContact CE1-OD2 3.95Å; H411-D413 PolarHBondContact CE1-OD2 2.78Å; H411-D413 IonicContact ND1-OD1 3.18Å; H411-D413 PolarHBondContact ND1-OD1 3.09Å; H411-D413 IonicContact ND1-OD2 3.5Å; H411-D413 PolarHBondContact ND1-OD2 2.96Å; D413-V433 CarbonylContact O-C 3.59Å; D413-V433 WeakPolarHBondContact O-CA 3.25Å; D413-M434 PolarHBondContact N-O 2.92Å; D413-M434 PolarHBondContact O-N 2.88Å
414	P	92.6	Very high	89.7	Confident	113 Å²	113	69.5 Å²	69.5	73%	0.734	36%	0.363	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-69.2	138.8	162.4	30.8	-32.6	0	0	0	109.5
415	V	91.8	Very high	89.8	Confident	31 Å²	31	65.2 Å²	65.2	19%	0.188	34%	0.34	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-127.3	133.7	-179.6	176.2	0	0	0	0	109.1	L431 G432 M434 F452	V415-L431 WeakPolarHBondContact O-CA 3.32Å; V415-G432 PolarHBondContact N-O 2.96Å; V415-G432 PolarHBondContact O-N 2.75Å; V415-M434 HydrophobicContact CG2-CB 3.71Å; V415-M434 HydrophobicContact CG2-CE 4.4Å; V415-F452 HydrophobicContact CB-CD2 4.39Å; V415-F452 HydrophobicContact CB-CE2 3.87Å; V415-F452 HydrophobicContact CG1-CD2 4.45Å; V415-F452 HydrophobicContact CG1-CE2 3.87Å
416	L	91.6	Very high	90.1	Very high	83 Å²	83	64.6 Å²	64.6	44%	0.435	34%	0.337	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-127.1	101.4	176.2	177.8	62.6	0	0	0	109.2	Q418 Q430	L416-Q418 HydrophobicContact CD1-CG 4.07Å; L416-Q418 HydrophobicContact CD2-CG 4.1Å; L416-Q418 HydrophobicContact CG-CG 3.68Å; L416-Q430 WeakPolarHBondContact CA-O 3.49Å
417	N	89.2	Confident	90.1	Very high	60 Å²	60	65 Å²	65	32%	0.321	33%	0.328	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-86.6	138.7	168.8	-61.8	-44.8	0	0	0	108.9	Y429 Q430	N417-Y429 CarbonylContact O-C 3.5Å; N417-Y429 VanDerWaalsContact O-CA 3.25Å; N417-Y429 WeakPolarHBondContact O-CA 3.49Å; N417-Q430 HydrophobicContact CB-CB 4.23Å; N417-Q430 PolarHBondContact N-O 2.84Å; N417-Q430 PolarHBondContact ND2-OE1 2.86Å; N417-Q430 PolarHBondContact O-N 2.98Å
418	Q	88.9	Confident	90	Very high	96 Å²	96	58.7 Å²	58.7	45%	0.449	30%	0.304	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-137.6	147.9	-174.4	-58.6	176.7	85.3	0	0	110.4	L416 Y427 M428	L416-Q418 HydrophobicContact CD1-CG 4.07Å; L416-Q418 HydrophobicContact CD2-CG 4.1Å; L416-Q418 HydrophobicContact CG-CG 3.68Å; Q418-Y427 HydrophobicContact CB-CE2 4.23Å; Q418-Y427 HydrophobicContact CG-CE2 4.22Å; Q418-Y427 VanDerWaalsContact OE1-CE2 3.3Å; Q418-Y427 PolarHBondContact OE1-OH 2.95Å; Q418-M428 CarbonylContact C-O 3.48Å; Q418-M428 WeakPolarHBondContact CA-O 3.31Å
419	S	87.5	Confident	89.8	Confident	49 Å²	49	56.7 Å²	56.7	34%	0.343	29%	0.293	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-137.8	134.9	169.2	178.9	0	0	0	0	109.3	M428	S419-M428 PolarHBondContact N-O 2.95Å; S419-M428 PolarHBondContact O-N 2.8Å
420	V	87.6	Confident	89.7	Confident	48 Å²	48	52.5 Å²	52.5	29%	0.291	27%	0.271	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-124.9	132.9	-174.1	-169.6	0	0	0	0	110.9	Y67 F426 Y427	Y67-V420 HydrophobicContact CD2-CG1 4.44Å; Y67-V420 HydrophobicContact CE1-CG1 4.15Å; Y67-V420 HydrophobicContact CE2-CB 4.46Å; Y67-V420 HydrophobicContact CE2-CG1 4.09Å; Y67-V420 PolarHBondContact OH-O 2.93Å; V420-F426 CarbonylContact C-O 3.57Å; V420-F426 VanDerWaalsContact CA-O 3.29Å; V420-F426 WeakPolarHBondContact CA-O 3.15Å; V420-F426 HydrophobicContact CG1-CD2 4.37Å; V420-F426 HydrophobicContact CG1-CE1 4.13Å; V420-F426 HydrophobicContact CG1-CE2 3.78Å; V420-F426 HydrophobicContact CG1-CZ 3.64Å; V420-Y427 HydrophobicContact CG2-CD2 4.13Å
421	G	82.7	Confident	89.7	Confident	4 Å²	4	50.9 Å²	50.9	4%	0.041	27%	0.267	C	S	.	.	S	Bend	trans	78.4	40	-179	0	0	0	0	0	113.9	F426	G421-F426 PolarHBondContact N-O 3.18Å
422	G	83.9	Confident	89.8	Confident	8 Å²	8	47.8 Å²	47.8	8%	0.082	25%	0.253	C	S	.	.			trans	-80.2	156.8	170.9	0	0	0	0	0	112.8	N425	G422-N425 CarbonylContact C-O 3.56Å; G422-N425 WeakPolarHBondContact CA-O 3.47Å; G422-N425 PolarHBondContact N-O 2.85Å; G422-N425 CarbonylContact O-C 3.44Å
423	P	85.2	Confident	89.9	Confident	10 Å²	10	44.9 Å²	44.9	7%	0.065	24%	0.24	C	C	.	.	S	Bend	trans	-63.4	-38.9	176.3	13	-18	0	0	0	113.3	Y75 F81 S82 Q85	Y75-P423 HydrophobicContact CD1-CB 3.69Å; Y75-P423 HydrophobicContact CE1-CB 3.41Å; Y75-P423 VanDerWaalsContact CE1-CB 3.41Å; Y75-P423 HydrophobicContact CE1-CG 4.22Å; Y75-P423 HydrophobicContact CE2-CB 4.38Å; Y75-P423 HydrophobicContact CG-CB 4.35Å; F81-P423 HydrophobicContact CD1-CB 4.35Å; F81-P423 HydrophobicContact CD2-CB 4.21Å; F81-P423 HydrophobicContact CD2-CG 4.33Å; F81-P423 HydrophobicContact CE1-CB 3.8Å; F81-P423 HydrophobicContact CE1-CG 4.27Å; F81-P423 HydrophobicContact CE2-CB 3.63Å; F81-P423 HydrophobicContact CE2-CG 3.41Å; F81-P423 VanDerWaalsContact CE2-CG 3.41Å; F81-P423 HydrophobicContact CZ-CB 3.43Å; F81-P423 VanDerWaalsContact CZ-CB 3.43Å; F81-P423 HydrophobicContact CZ-CG 3.4Å; F81-P423 VanDerWaalsContact CZ-CG 3.4Å; S82-P423 WeakPolarHBondContact CA-O 3.31Å; S82-P423 WeakPolarHBondContact CB-O 3.46Å; Q85-P423 WeakPolarHBondContact CB-O 3.39Å; Q85-P423 WeakPolarHBondContact CG-O 3.24Å
424	E	85.4	Confident	90.1	Very high	24 Å²	24	44.1 Å²	44.1	11%	0.112	24%	0.235	C	C	.	.	S	Bend	trans	-81.8	-32.4	-174.4	-50.2	91.1	155.9	0	0	111.5	M428 K461 F462 N463 Y464	E424-M428 HydrophobicContact CB-CE 3.73Å; E424-M428 HydrophobicContact CG-CE 4.34Å; E424-M428 VanDerWaalsContact OE2-CE 3.3Å; E424-M428 WeakPolarHBondContact OE2-CE 3.29Å; E424-K461 WeakPolarHBondContact CB-O 3.42Å; E424-K461 WeakPolarHBondContact CG-O 3.24Å; E424-F462 WeakPolarHBondContact OE1-CE1 3.42Å; E424-F462 WeakPolarHBondContact OE1-CZ 3.21Å; E424-N463 WeakPolarHBondContact CG-OD1 3.4Å; E424-N463 PolarHBondContact OE1-N 2.95Å; E424-N463 PolarHBondContact OE1-OD1 2.93Å; E424-Y464 WeakPolarHBondContact OE1-CB 3.38Å; E424-Y464 PolarHBondContact OE1-N 2.92Å
425	N	86.7	Confident	90.4	Very high	37 Å²	37	39.7 Å²	39.7	20%	0.198	21%	0.21	C	C	.	.			trans	-156.9	140.8	176.5	-162.5	-7.6	0	0	0	110.6	G422 Y427 M428 N458	G422-N425 CarbonylContact C-O 3.56Å; G422-N425 WeakPolarHBondContact CA-O 3.47Å; G422-N425 PolarHBondContact N-O 2.85Å; G422-N425 CarbonylContact O-C 3.44Å; N425-Y427 VanDerWaalsContact C-N 3.25Å; N425-Y427 PolarHBondContact ND2-O 2.91Å; N425-Y427 PolarHBondContact O-N 2.99Å; N425-M428 HydrophobicContact CB-CE 4.34Å; N425-M428 HydrophobicContact CB-CG 4.3Å; N425-N458 PolarHBondContact ND2-ND2 3.05Å
426	F	88.1	Confident	90.7	Very high	43 Å²	43	38.2 Å²	38.2	19%	0.189	20%	0.201	C	C	.	.	S	Bend	trans	-61.1	-35.9	176.6	178.6	-116	0	0	0	112.4	Y51 Y67 K88 V420 G421	Y51-F426 HydrophobicContact CD2-CE1 4.5Å; Y51-F426 HydrophobicContact CD2-CZ 4.2Å; Y51-F426 HydrophobicContact CE2-CE1 4.37Å; Y51-F426 HydrophobicContact CE2-CZ 4.41Å; Y67-F426 AromaticContact CD1-CE2 3.71Å; Y67-F426 HydrophobicContact CD1-CE2 3.71Å; Y67-F426 HydrophobicContact CD1-CZ 4.34Å; Y67-F426 HydrophobicContact CE1-CE2 4.29Å; Y67-F426 HydrophobicContact CG-CE2 4.06Å; Y67-F426 HydrophobicContact CG-CZ 4.25Å; K88-F426 HydrophobicContact CD-CD2 3.45Å; K88-F426 VanDerWaalsContact CD-CD2 3.45Å; K88-F426 HydrophobicContact CD-CE2 3.79Å; K88-F426 HydrophobicContact CD-CG 4.29Å; K88-F426 VanDerWaalsContact CE-CD2 3.41Å; K88-F426 HydrophobicContact CG-CD2 3.77Å; K88-F426 HydrophobicContact CG-CE2 4.32Å; V420-F426 CarbonylContact C-O 3.57Å; V420-F426 VanDerWaalsContact CA-O 3.29Å; V420-F426 WeakPolarHBondContact CA-O 3.15Å; V420-F426 HydrophobicContact CG1-CD2 4.37Å; V420-F426 HydrophobicContact CG1-CE1 4.13Å; V420-F426 HydrophobicContact CG1-CE2 3.78Å; V420-F426 HydrophobicContact CG1-CZ 3.64Å; G421-F426 PolarHBondContact N-O 3.18Å
427	Y	90.9	Very high	91	Very high	88 Å²	88	36 Å²	36	35%	0.345	19%	0.194	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-129.4	116.4	-179.9	-179.1	-109.2	0	0	0	110.7	Q418 V420 N425 Y429 N458	Q418-Y427 HydrophobicContact CB-CE2 4.23Å; Q418-Y427 HydrophobicContact CG-CE2 4.22Å; Q418-Y427 VanDerWaalsContact OE1-CE2 3.3Å; Q418-Y427 PolarHBondContact OE1-OH 2.95Å; V420-Y427 HydrophobicContact CG2-CD2 4.13Å; N425-Y427 VanDerWaalsContact C-N 3.25Å; N425-Y427 PolarHBondContact ND2-O 2.91Å; N425-Y427 PolarHBondContact O-N 2.99Å; Y427-Y429 HydrophobicContact CD1-CD1 4.31Å; Y427-Y429 AromaticContact CE1-CD1 3.99Å; Y427-Y429 HydrophobicContact CE1-CD1 3.99Å; Y427-Y429 HydrophobicContact CE1-CG 4.25Å; Y427-N458 PolarHBondContact O-ND2 2.84Å
428	M	89.8	Confident	91.4	Very high	1 Å²	1	34.5 Å²	34.5	1%	0.005	19%	0.186	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-110.2	145	170.9	-61.7	178.9	174.8	0	0	110.1	Q418 S419 E424 N425 N458 Y459 F462	Q418-M428 CarbonylContact C-O 3.48Å; Q418-M428 WeakPolarHBondContact CA-O 3.31Å; S419-M428 PolarHBondContact N-O 2.95Å; S419-M428 PolarHBondContact O-N 2.8Å; E424-M428 HydrophobicContact CB-CE 3.73Å; E424-M428 HydrophobicContact CG-CE 4.34Å; E424-M428 VanDerWaalsContact OE2-CE 3.3Å; E424-M428 WeakPolarHBondContact OE2-CE 3.29Å; N425-M428 HydrophobicContact CB-CE 4.34Å; N425-M428 HydrophobicContact CB-CG 4.3Å; M428-N458 WeakPolarHBondContact CA-OD1 3.42Å; M428-Y459 HydrophobicContact CB-CD1 4.44Å; M428-Y459 HydrophobicContact CB-CE1 4.03Å; M428-Y459 HydrophobicContact SD-CD1 4.17Å; M428-Y459 HydrophobicContact SD-CE1 4.16Å; M428-F462 HydrophobicContact CE-CD2 3.81Å; M428-F462 HydrophobicContact CE-CE2 4.05Å; M428-F462 HydrophobicContact SD-CD2 3.61Å; M428-F462 HydrophobicContact SD-CE2 3.88Å
429	Y	92.6	Very high	91.8	Very high	76 Å²	76	33.4 Å²	33.4	30%	0.298	18%	0.183	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-145.5	152.8	-178.7	72.5	-85.6	0	0	0	111.6	N417 Y427 A456 N457 N458 Y459	N417-Y429 CarbonylContact O-C 3.5Å; N417-Y429 VanDerWaalsContact O-CA 3.25Å; N417-Y429 WeakPolarHBondContact O-CA 3.49Å; Y427-Y429 HydrophobicContact CD1-CD1 4.31Å; Y427-Y429 AromaticContact CE1-CD1 3.99Å; Y427-Y429 HydrophobicContact CE1-CD1 3.99Å; Y427-Y429 HydrophobicContact CE1-CG 4.25Å; Y429-A456 HydrophobicContact CE2-CB 4.33Å; Y429-N457 WeakPolarHBondContact O-CA 3.4Å; Y429-N457 VanDerWaalsContact O-CB 3.24Å; Y429-N457 WeakPolarHBondContact O-CB 3.48Å; Y429-N458 HydrophobicContact CE1-CB 4.11Å; Y429-N458 PolarHBondContact N-OD1 3.45Å; Y429-N458 PolarHBondContact O-N 3.46Å; Y429-N458 PolarHBondContact O-OD1 3.1Å; Y429-Y459 VanDerWaalsContact C-CE2 3.41Å; Y429-Y459 WeakPolarHBondContact O-CD2 3.46Å; Y429-Y459 WeakPolarHBondContact O-CE2 3.41Å
430	Q	92.8	Very high	92.3	Very high	0 Å²	0	32.2 Å²	32.2	0%	0	17%	0.171	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-135.2	108.2	166.3	179.6	-169.1	48.2	0	0	107.6	L416 N417 F452 N454 N457 Y459 V484	L416-Q430 WeakPolarHBondContact CA-O 3.49Å; N417-Q430 HydrophobicContact CB-CB 4.23Å; N417-Q430 PolarHBondContact N-O 2.84Å; N417-Q430 PolarHBondContact ND2-OE1 2.86Å; N417-Q430 PolarHBondContact O-N 2.98Å; Q430-F452 HydrophobicContact CG-CE1 4.27Å; Q430-F452 HydrophobicContact CG-CZ 3.88Å; Q430-N454 WeakPolarHBondContact CG-OD1 3.41Å; Q430-N457 HydrophobicContact CB-CB 3.9Å; Q430-N457 HydrophobicContact CG-CB 4.01Å; Q430-Y459 HydrophobicContact CB-CD2 3.74Å; Q430-Y459 HydrophobicContact CB-CE2 3.5Å; Q430-Y459 VanDerWaalsContact CB-CE2 3.5Å; Q430-V484 PolarHBondContact NE2-O 3.22Å
431	L	95.3	Very high	92.7	Very high	72 Å²	72	34.2 Å²	34.2	38%	0.377	18%	0.18	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-90.6	126.4	170.4	-179.5	65	0	0	0	108.2	V415 L455 A456	V415-L431 WeakPolarHBondContact O-CA 3.32Å; L431-L455 WeakPolarHBondContact O-CB 3.37Å; L431-L455 PolarHBondContact O-N 2.81Å; L431-A456 PolarHBondContact N-O 3.4Å; L431-A456 PolarHBondContact O-N 2.81Å; L431-A456 VanDerWaalsContact O-N 3.11Å
432	G	95.8	Very high	93.3	Very high	0 Å²	0	37 Å²	37	0%	0	20%	0.196	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-149.7	-178	179.1	0	0	0	0	0	112.6	V415 A453	V415-G432 PolarHBondContact N-O 2.96Å; V415-G432 PolarHBondContact O-N 2.75Å; G432-A453 CarbonylContact C-O 3.58Å; G432-A453 WeakPolarHBondContact CA-O 3.25Å
433	V	97.5	Very high	93.7	Very high	46 Å²	46	41.3 Å²	41.3	28%	0.279	22%	0.217	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-125.4	132.8	177.5	179.4	0	0	0	0	108.1	I412 D413 A453 L455	I412-V433 HydrophobicContact CG2-CG1 3.17Å; D413-V433 CarbonylContact O-C 3.59Å; D413-V433 WeakPolarHBondContact O-CA 3.25Å; V433-A453 PolarHBondContact N-O 2.79Å; V433-A453 PolarHBondContact O-N 2.81Å; V433-L455 HydrophobicContact CG2-CD1 3.63Å; V433-L455 HydrophobicContact CG2-CD2 4.34Å; V433-L455 HydrophobicContact CG2-CG 4.04Å
434	M	96.9	Very high	94.2	Very high	38 Å²	38	44 Å²	44	19%	0.187	23%	0.229	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-110.9	118	175.2	-175.1	170.8	63.8	0	0	109.4	I412 D413 V415 L451	I412-M434 CarbonylContact C-O 3.57Å; I412-M434 WeakPolarHBondContact CA-O 3.1Å; D413-M434 PolarHBondContact N-O 2.92Å; D413-M434 PolarHBondContact O-N 2.88Å; V415-M434 HydrophobicContact CG2-CB 3.71Å; V415-M434 HydrophobicContact CG2-CE 4.4Å; M434-L451 CarbonylContact C-O 3.39Å; M434-L451 WeakPolarHBondContact CA-O 3.34Å
435	G	98.1	Very high	94.8	Very high	19 Å²	19	45.1 Å²	45.1	20%	0.196	24%	0.235	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-95.3	123.2	169.5	0	0	0	0	0	109.9	S450 L451	G435-S450 CarbonylContact O-C 3.59Å; G435-S450 VanDerWaalsContact O-CA 3.28Å; G435-S450 WeakPolarHBondContact O-CA 3.38Å; G435-L451 PolarHBondContact N-O 2.63Å; G435-L451 PolarHBondContact O-N 3.32Å
436	T	98	Very high	95.3	Very high	1 Å²	1	43.4 Å²	43.4	1%	0.006	23%	0.226	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-119.2	131.7	-179.9	-61.1	0	0	0	0	110.1	F410 H411 G449 S450	F410-T436 VanDerWaalsContact CA-O 3.25Å; F410-T436 WeakPolarHBondContact CA-O 3.5Å; F410-T436 WeakPolarHBondContact CD2-O 3.07Å; H411-T436 VanDerWaalsContact CE1-CB 3.5Å; H411-T436 WeakPolarHBondContact CE1-CB 3.34Å; H411-T436 PolarHBondContact N-O 2.76Å; H411-T436 WeakPolarHBondContact NE2-CB 2.97Å; H411-T436 WeakPolarHBondContact NE2-CG2 3.37Å; H411-T436 PolarHBondContact O-N 3.04Å; T436-G449 WeakPolarHBondContact CA-O 3.3Å; T436-S450 WeakPolarHBondContact CG2-OG 3.29Å; T436-S450 WeakPolarHBondContact OG1-CB 3.17Å; T436-S450 PolarHBondContact OG1-OG 3.04Å
437	A	98.3	Very high	95.8	Very high	36 Å²	36	43.2 Å²	43.2	30%	0.298	23%	0.229	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-119.1	131.8	174.3	0	0	0	0	0	110.2	F408 D409 F410 T448 G449	F408-A437 HydrophobicContact CE2-CB 4.11Å; F408-A437 HydrophobicContact CZ-CB 4.41Å; D409-A437 WeakPolarHBondContact O-CA 3.44Å; F410-A437 HydrophobicContact CD2-CB 4.14Å; A437-T448 WeakPolarHBondContact O-CA 3.3Å; A437-G449 PolarHBondContact N-O 2.62Å; A437-G449 PolarHBondContact O-N 2.83Å
438	D	97.1	Very high	96.2	Very high	28 Å²	28	39.1 Å²	39.1	15%	0.15	21%	0.213	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-119.3	128.7	-178.8	-75.1	-13	0	0	0	109.6	F408 D409 L446 T448 K668	F408-D438 CarbonylContact C-O 3.08Å; F408-D438 VanDerWaalsContact CA-O 3.3Å; F408-D438 WeakPolarHBondContact CA-O 3.49Å; D409-D438 HydrophobicContact CB-CB 4.36Å; D409-D438 PolarHBondContact N-O 3.1Å; D409-D438 PolarHBondContact O-N 3.5Å; D438-L446 HydrophobicContact CB-CD1 3.97Å; D438-T448 WeakPolarHBondContact OD1-CB 3.31Å; D438-T448 PolarHBondContact OD1-OG1 2.83Å; D438-K668 IonicContact OD1-NZ 3.63Å
439	L	98	Very high	96.6	Very high	74 Å²	74	40 Å²	40	39%	0.387	22%	0.222	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-130.6	112.6	-179.6	-179.5	65.4	0	0	0	111.2	R407 F408 L441 T447	R407-L439 CarbonylContact O-C 3.58Å; R407-L439 WeakPolarHBondContact O-CA 3.47Å; F408-L439 HydrophobicContact CB-CD1 4.46Å; F408-L439 HydrophobicContact CD2-CD1 4.48Å; L439-L441 HydrophobicContact CD2-CD2 3.84Å; L439-L441 HydrophobicContact CG-CD2 4.15Å; L439-L441 PolarHBondContact O-N 3.46Å; L439-T447 PolarHBondContact N-O 2.9Å; L439-T447 PolarHBondContact O-N 3.03Å
440	W	97	Very high	96.8	Very high	23 Å²	23	36.6 Å²	36.6	9%	0.087	21%	0.209	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-81.4	104.2	170.9	-71.4	95.5	0	0	0	110.7	L355 N356 R407 L446 F498	L355-W440 HydrophobicContact CB-CH2 4.19Å; L355-W440 HydrophobicContact CB-CZ2 4.31Å; L355-W440 HydrophobicContact CD2-CH2 4.49Å; L355-W440 HydrophobicContact CD2-CZ2 3.92Å; N356-W440 HydrophobicContact CB-CH2 4.49Å; R407-W440 HydrophobicContact CB-CB 4.31Å; R407-W440 HydrophobicContact CG-CB 4.42Å; R407-W440 PolarHBondContact O-N 3.37Å; W440-L446 HydrophobicContact CD2-CB 4.12Å; W440-L446 HydrophobicContact CD2-CD1 4.14Å; W440-L446 HydrophobicContact CE3-CB 3.95Å; W440-L446 HydrophobicContact CG-CD1 4.26Å; W440-L446 HydrophobicContact CH2-CB 4.01Å; W440-L446 HydrophobicContact CZ2-CB 4.14Å; W440-L446 HydrophobicContact CZ2-CD1 4.44Å; W440-L446 HydrophobicContact CZ2-CD2 4.13Å; W440-L446 HydrophobicContact CZ2-CG 4.46Å; W440-L446 HydrophobicContact CZ3-CB 3.91Å; W440-F498 AromaticContact CH2-CD2 3.93Å; W440-F498 HydrophobicContact CH2-CD2 3.93Å; W440-F498 HydrophobicContact CH2-CE2 4.26Å; W440-F498 HydrophobicContact CZ3-CD2 4.27Å
441	L	96.5	Very high	97	Very high	90 Å²	90	40.8 Å²	40.8	47%	0.471	23%	0.231	S	C	.	.	S	Bend	trans	-76.3	-35.8	175.8	-65.7	175.7	0	0	0	111.4	R407 L439 L445 T447	R407-L441 PolarHBondContact NH1-O 3.42Å; L439-L441 HydrophobicContact CD2-CD2 3.84Å; L439-L441 HydrophobicContact CG-CD2 4.15Å; L439-L441 PolarHBondContact O-N 3.46Å; L441-L445 HydrophobicContact CB-CB 4.41Å; L441-L445 HydrophobicContact CB-CD2 4.03Å; L441-L445 HydrophobicContact CB-CG 4.25Å; L441-L445 HydrophobicContact CD1-CD2 3.8Å; L441-L445 HydrophobicContact CD1-CG 4.25Å; L441-L445 PolarHBondContact N-O 2.79Å; L441-T447 WeakPolarHBondContact CD1-OG1 3.25Å
442	T	95.4	Very high	97.1	Very high	62 Å²	62	37.6 Å²	37.6	38%	0.38	21%	0.214	S	C	.	.	S	Bend	trans	-136.3	179.2	171.3	73.6	0	0	0	0	108.8	H444 L445	T442-H444 PolarHBondContact O-N 3.31Å; T442-H444 VanDerWaalsContact O-N 3.16Å; T442-H444 PolarHBondContact OG1-N 2.89Å; T442-H444 VanDerWaalsContact OG1-N 3.16Å; T442-L445 HydrophobicContact CG2-CB 4.35Å; T442-L445 VanDerWaalsContact OG1-CB 3.29Å; T442-L445 WeakPolarHBondContact OG1-CB 3.43Å; T442-L445 PolarHBondContact OG1-N 3.08Å
443	D	91.8	Very high	97.1	Very high	100 Å²	100	39.2 Å²	39.2	54%	0.535	23%	0.228	S	C	.	.	S	Bend	trans	-68.4	-10.2	174.5	-59	-31.7	0	0	0	113.1	N356	N356-D443 VanDerWaalsContact CB-O 3.25Å; N356-D443 WeakPolarHBondContact CB-O 3.4Å; N356-D443 PolarHBondContact ND2-O 2.66Å
444	H	96.2	Very high	97	Very high	65 Å²	65	38.5 Å²	38.5	30%	0.301	22%	0.222	S	C	.	.	S	Bend	trans	-115	-26	-179.7	-61.7	-66.9	0	0	0	113.3	T442 Y497 F498	T442-H444 PolarHBondContact O-N 3.31Å; T442-H444 VanDerWaalsContact O-N 3.16Å; T442-H444 PolarHBondContact OG1-N 2.89Å; T442-H444 VanDerWaalsContact OG1-N 3.16Å; H444-Y497 HydrophobicContact CB-CD2 3.87Å; H444-Y497 HydrophobicContact CB-CE1 4.11Å; H444-Y497 HydrophobicContact CB-CE2 3.41Å; H444-Y497 VanDerWaalsContact CB-CE2 3.41Å; H444-Y497 HydrophobicContact CB-CG 4.39Å; H444-Y497 AromaticContact CG-CZ 3.9Å; H444-Y497 CarbonylContact O-C 3.57Å; H444-Y497 VanDerWaalsContact O-CA 3.29Å; H444-Y497 WeakPolarHBondContact O-CA 3.43Å; H444-F498 PolarHBondContact ND1-O 2.93Å; H444-F498 PolarHBondContact O-N 2.97Å
445	L	98	Very high	96.9	Very high	48 Å²	48	42.2 Å²	42.2	25%	0.251	24%	0.242	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-102.6	103.5	-172.3	-175.8	61.9	0	0	0	111.6	L441 T442 A495 N496	L441-L445 HydrophobicContact CB-CB 4.41Å; L441-L445 HydrophobicContact CB-CD2 4.03Å; L441-L445 HydrophobicContact CB-CG 4.25Å; L441-L445 HydrophobicContact CD1-CD2 3.8Å; L441-L445 HydrophobicContact CD1-CG 4.25Å; L441-L445 PolarHBondContact N-O 2.79Å; T442-L445 HydrophobicContact CG2-CB 4.35Å; T442-L445 VanDerWaalsContact OG1-CB 3.29Å; T442-L445 WeakPolarHBondContact OG1-CB 3.43Å; T442-L445 PolarHBondContact OG1-N 3.08Å; L445-A495 HydrophobicContact CD1-CB 4.24Å; L445-N496 CarbonylContact C-O 3.55Å; L445-N496 WeakPolarHBondContact CA-O 3.02Å
446	L	98	Very high	96.7	Very high	1 Å²	1	43.1 Å²	43.1	1%	0.005	25%	0.248	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-99	119.5	172.9	173.9	61.2	0	0	0	110.5	L355 D438 W440 A495 N496 F498 F669	L355-L446 HydrophobicContact CD2-CD2 4.38Å; D438-L446 HydrophobicContact CB-CD1 3.97Å; W440-L446 HydrophobicContact CD2-CB 4.12Å; W440-L446 HydrophobicContact CD2-CD1 4.14Å; W440-L446 HydrophobicContact CE3-CB 3.95Å; W440-L446 HydrophobicContact CG-CD1 4.26Å; W440-L446 HydrophobicContact CH2-CB 4.01Å; W440-L446 HydrophobicContact CZ2-CB 4.14Å; W440-L446 HydrophobicContact CZ2-CD1 4.44Å; W440-L446 HydrophobicContact CZ2-CD2 4.13Å; W440-L446 HydrophobicContact CZ2-CG 4.46Å; W440-L446 HydrophobicContact CZ3-CB 3.91Å; L446-A495 CarbonylContact O-C 3.52Å; L446-A495 WeakPolarHBondContact O-CA 3.38Å; L446-N496 PolarHBondContact N-O 2.65Å; L446-N496 PolarHBondContact O-N 2.97Å; L446-N496 PolarHBondContact O-ND2 2.7Å; L446-N496 VanDerWaalsContact O-ND2 3.08Å; L446-F498 HydrophobicContact CB-CE2 3.93Å; L446-F498 HydrophobicContact CD2-CE2 4Å; L446-F669 HydrophobicContact CD2-CE1 4.41Å; L446-F669 HydrophobicContact CD2-CE2 4.04Å; L446-F669 HydrophobicContact CD2-CZ 3.64Å
447	T	98.4	Very high	96.4	Very high	40 Å²	40	45 Å²	45	25%	0.245	26%	0.258	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-101	126.9	167.6	-55.6	0	0	0	0	109.2	L439 L441 Q494	L439-T447 PolarHBondContact N-O 2.9Å; L439-T447 PolarHBondContact O-N 3.03Å; L441-T447 WeakPolarHBondContact CD1-OG1 3.25Å; T447-Q494 WeakPolarHBondContact CA-O 3.3Å
448	T	98.1	Very high	96.1	Very high	2 Å²	2	44 Å²	44	1%	0.012	25%	0.248	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-131.7	145.7	-176.6	-178.7	0	0	0	0	110.9	A437 D438 L493 Q494 K668 F669	A437-T448 WeakPolarHBondContact O-CA 3.3Å; D438-T448 WeakPolarHBondContact OD1-CB 3.31Å; D438-T448 PolarHBondContact OD1-OG1 2.83Å; T448-L493 CarbonylContact O-C 3.58Å; T448-L493 VanDerWaalsContact O-CA 3.32Å; T448-L493 WeakPolarHBondContact O-CA 3.33Å; T448-Q494 HydrophobicContact CG2-CG 3.58Å; T448-Q494 PolarHBondContact N-O 2.92Å; T448-Q494 PolarHBondContact O-N 3.05Å; T448-K668 HydrophobicContact CG2-CD 3.98Å; T448-K668 PolarHBondContact OG1-NZ 3.45Å; T448-F669 HydrophobicContact CG2-CE2 4.05Å
449	G	98.1	Very high	95.5	Very high	19 Å²	19	43.6 Å²	43.6	20%	0.196	24%	0.244	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-144.8	140	173.6	0	0	0	0	0	111.6	T436 A437 N492	T436-G449 WeakPolarHBondContact CA-O 3.3Å; A437-G449 PolarHBondContact N-O 2.62Å; A437-G449 PolarHBondContact O-N 2.83Å; G449-N492 CarbonylContact C-O 3.45Å; G449-N492 VanDerWaalsContact CA-O 3.32Å; G449-N492 WeakPolarHBondContact CA-O 3.39Å
450	S	97.9	Very high	94.6	Very high	5 Å²	5	45.7 Å²	45.7	4%	0.035	26%	0.256	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-125.9	129.8	177	-53.8	0	0	0	0	110.8	G435 T436 N491 N492	G435-S450 CarbonylContact O-C 3.59Å; G435-S450 VanDerWaalsContact O-CA 3.28Å; G435-S450 WeakPolarHBondContact O-CA 3.38Å; T436-S450 WeakPolarHBondContact CG2-OG 3.29Å; T436-S450 WeakPolarHBondContact OG1-CB 3.17Å; T436-S450 PolarHBondContact OG1-OG 3.04Å; S450-N491 PolarHBondContact O-N 2.66Å; S450-N492 VanDerWaalsContact CB-ND2 3.32Å; S450-N492 WeakPolarHBondContact CB-ND2 3.09Å; S450-N492 PolarHBondContact N-O 2.82Å; S450-N492 PolarHBondContact OG-ND2 2.86Å
451	L	97.2	Very high	93.9	Very high	88 Å²	88	50 Å²	50	46%	0.461	28%	0.275	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-107.2	127.6	172.4	-171.9	76	0	0	0	109.1	M434 G435 V488 Y489 V490	M434-L451 CarbonylContact C-O 3.39Å; M434-L451 WeakPolarHBondContact CA-O 3.34Å; G435-L451 PolarHBondContact N-O 2.63Å; G435-L451 PolarHBondContact O-N 3.32Å; L451-V488 HydrophobicContact CD1-CG1 3.99Å; L451-V488 HydrophobicContact CD2-CG1 4.15Å; L451-V488 HydrophobicContact CG-CG1 4.13Å; L451-Y489 WeakPolarHBondContact CD1-O 3.45Å; L451-V490 HydrophobicContact CD1-CG2 4.16Å
452	F	96.2	Very high	92.8	Very high	4 Å²	4	46.5 Å²	46.5	2%	0.018	26%	0.256	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-97.9	138.6	172.5	178.9	-89.7	0	0	0	110	V415 Q430 N454 V488 Y489	V415-F452 HydrophobicContact CB-CD2 4.39Å; V415-F452 HydrophobicContact CB-CE2 3.87Å; V415-F452 HydrophobicContact CG1-CD2 4.45Å; V415-F452 HydrophobicContact CG1-CE2 3.87Å; Q430-F452 HydrophobicContact CG-CE1 4.27Å; Q430-F452 HydrophobicContact CG-CZ 3.88Å; F452-N454 HydrophobicContact CE1-CB 4.04Å; F452-V488 VanDerWaalsContact O-CA 3.29Å; F452-V488 WeakPolarHBondContact O-CA 3.46Å; F452-Y489 HydrophobicContact CB-CD2 4.21Å; F452-Y489 HydrophobicContact CB-CE1 4.28Å; F452-Y489 HydrophobicContact CB-CE2 3.79Å; F452-Y489 HydrophobicContact CD1-CD1 4.12Å; F452-Y489 AromaticContact CD1-CE1 3.37Å; F452-Y489 HydrophobicContact CD1-CE1 3.37Å; F452-Y489 HydrophobicContact CD1-CE2 4.3Å; F452-Y489 AromaticContact CD1-CZ 3.47Å; F452-Y489 VanDerWaalsContact CD1-CZ 3.47Å; F452-Y489 WeakPolarHBondContact CD1-OH 3.25Å; F452-Y489 AromaticContact CE1-CE1 3.98Å; F452-Y489 HydrophobicContact CE1-CE1 3.98Å; F452-Y489 HydrophobicContact CG-CE1 4.09Å; F452-Y489 HydrophobicContact CG-CE2 4.21Å; F452-Y489 AromaticContact CG-CZ 3.74Å; F452-Y489 PolarHBondContact N-O 3.03Å; F452-Y489 PolarHBondContact O-N 3.18Å; F452-Y489 VanDerWaalsContact O-N 3.08Å
453	A	96.7	Very high	91.8	Very high	35 Å²	35	47 Å²	47	29%	0.289	26%	0.257	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-127.9	121.8	171.6	0	0	0	0	0	110.1	G432 V433 D487 V488	G432-A453 CarbonylContact C-O 3.58Å; G432-A453 WeakPolarHBondContact CA-O 3.25Å; V433-A453 PolarHBondContact N-O 2.79Å; V433-A453 PolarHBondContact O-N 2.81Å; A453-D487 CarbonylContact C-O 3.59Å; A453-D487 WeakPolarHBondContact CA-O 3.41Å; A453-V488 HydrophobicContact CB-CG2 4.32Å
454	N	94.8	Very high	90.7	Very high	30 Å²	30	45.7 Å²	45.7	16%	0.16	25%	0.245	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-70.2	133.5	176.6	179.9	60.7	0	0	0	110.6	Q430 F452 N457 D487	Q430-N454 WeakPolarHBondContact CG-OD1 3.41Å; F452-N454 HydrophobicContact CE1-CB 4.04Å; N454-N457 PolarHBondContact ND2-ND2 2.69Å; N454-N457 PolarHBondContact OD1-ND2 3.22Å; N454-D487 HydrophobicContact CB-CB 4.31Å; N454-D487 VanDerWaalsContact CB-O 3.24Å; N454-D487 WeakPolarHBondContact CB-O 3.31Å; N454-D487 PolarHBondContact N-O 2.81Å; N454-D487 PolarHBondContact ND2-OD1 2.88Å
455	L	95.1	Very high	89.2	Confident	116 Å²	116	45.1 Å²	45.1	61%	0.607	25%	0.246	S	C	*	.	E	Extended strand (participates in β ladder)	trans	-105.4	-46.6	174.2	-64.3	-176.6	0	0	0	111.6	L431 V433	L431-L455 WeakPolarHBondContact O-CB 3.37Å; L431-L455 PolarHBondContact O-N 2.81Å; V433-L455 HydrophobicContact CG2-CD1 3.63Å; V433-L455 HydrophobicContact CG2-CD2 4.34Å; V433-L455 HydrophobicContact CG2-CG 4.04Å
456	A	94	Very high	87.5	Confident	39 Å²	39	49.3 Å²	49.3	32%	0.322	27%	0.269	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-156.8	134.5	-179.5	0	0	0	0	0	109.8	Y429 L431	Y429-A456 HydrophobicContact CE2-CB 4.33Å; L431-A456 PolarHBondContact N-O 3.4Å; L431-A456 PolarHBondContact O-N 2.81Å; L431-A456 VanDerWaalsContact O-N 3.11Å
457	N	91.8	Very high	85.8	Confident	40 Å²	40	51.1 Å²	51.1	21%	0.214	28%	0.281	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-151	169.1	174.4	76.9	65	0	0	0	111	Y429 Q430 N454 Y459	Y429-N457 WeakPolarHBondContact O-CA 3.4Å; Y429-N457 VanDerWaalsContact O-CB 3.24Å; Y429-N457 WeakPolarHBondContact O-CB 3.48Å; Q430-N457 HydrophobicContact CB-CB 3.9Å; Q430-N457 HydrophobicContact CG-CB 4.01Å; N454-N457 PolarHBondContact ND2-ND2 2.69Å; N454-N457 PolarHBondContact OD1-ND2 3.22Å; N457-Y459 HydrophobicContact CB-CD2 4.13Å; N457-Y459 PolarHBondContact OD1-N 2.98Å
458	N	90.8	Very high	84	Confident	15 Å²	15	52.1 Å²	52.1	8%	0.08	29%	0.288	C	S	.	.			trans	-126	27.8	170.5	67.4	-8.4	0	0	0	112.1	N425 Y427 M428 Y429 D460 K461	N425-N458 PolarHBondContact ND2-ND2 3.05Å; Y427-N458 PolarHBondContact O-ND2 2.84Å; M428-N458 WeakPolarHBondContact CA-OD1 3.42Å; Y429-N458 HydrophobicContact CE1-CB 4.11Å; Y429-N458 PolarHBondContact N-OD1 3.45Å; Y429-N458 PolarHBondContact O-N 3.46Å; Y429-N458 PolarHBondContact O-OD1 3.1Å; N458-D460 VanDerWaalsContact CA-OD1 3.24Å; N458-D460 WeakPolarHBondContact CA-OD1 3.36Å; N458-D460 PolarHBondContact O-N 2.79Å; N458-K461 PolarHBondContact O-N 2.82Å
459	Y	85.4	Confident	82.3	Confident	19 Å²	19	61 Å²	61	8%	0.075	33%	0.329	C	S	.	.	G	3₁₀ helix	trans	-78.4	-3.4	176	-77.8	-76.5	0	0	0	112.3	M428 Y429 Q430 N457 K461 F462 V484	M428-Y459 HydrophobicContact CB-CD1 4.44Å; M428-Y459 HydrophobicContact CB-CE1 4.03Å; M428-Y459 HydrophobicContact SD-CD1 4.17Å; M428-Y459 HydrophobicContact SD-CE1 4.16Å; Y429-Y459 VanDerWaalsContact C-CE2 3.41Å; Y429-Y459 WeakPolarHBondContact O-CD2 3.46Å; Y429-Y459 WeakPolarHBondContact O-CE2 3.41Å; Q430-Y459 HydrophobicContact CB-CD2 3.74Å; Q430-Y459 HydrophobicContact CB-CE2 3.5Å; Q430-Y459 VanDerWaalsContact CB-CE2 3.5Å; N457-Y459 HydrophobicContact CB-CD2 4.13Å; N457-Y459 PolarHBondContact OD1-N 2.98Å; Y459-K461 VanDerWaalsContact C-N 3.28Å; Y459-F462 HydrophobicContact CD1-CD2 4.21Å; Y459-F462 WeakPolarHBondContact O-CB 3.3Å; Y459-F462 PolarHBondContact O-N 2.74Å; Y459-V484 HydrophobicContact CD1-CG2 3.71Å; Y459-V484 HydrophobicContact CD2-CB 4.48Å; Y459-V484 HydrophobicContact CD2-CG2 4.13Å; Y459-V484 HydrophobicContact CE1-CG2 4.07Å; Y459-V484 HydrophobicContact CE2-CG2 4.46Å; Y459-V484 HydrophobicContact CG-CG2 3.75Å
460	D	80	Confident	80.8	Confident	119 Å²	119	62.5 Å²	62.5	64%	0.636	33%	0.333	S	S	*	.	G	3₁₀ helix	trans	-65.2	-31.2	165.9	66.6	-48.6	0	0	0	112.3	N458 F462	N458-D460 VanDerWaalsContact CA-OD1 3.24Å; N458-D460 WeakPolarHBondContact CA-OD1 3.36Å; N458-D460 PolarHBondContact O-N 2.79Å; D460-F462 PolarHBondContact O-N 3.04Å
461	K	81.6	Confident	79.6	Confident	112 Å²	112	63.5 Å²	63.5	49%	0.487	34%	0.34	S	S	.	.	G	3₁₀ helix	trans	-67.5	-11.7	174	-61.6	-174.9	179.1	-171.6	0	113.1	E424 N458 Y459 N463	E424-K461 WeakPolarHBondContact CB-O 3.42Å; E424-K461 WeakPolarHBondContact CG-O 3.24Å; N458-K461 PolarHBondContact O-N 2.82Å; Y459-K461 VanDerWaalsContact C-N 3.28Å; K461-N463 PolarHBondContact O-N 2.89Å; K461-N463 VanDerWaalsContact O-N 3.15Å
462	F	74.1	Confident	78.7	Confident	17 Å²	17	66.6 Å²	66.6	8%	0.075	35%	0.352	C	S	.	.			trans	-68.2	106.4	-179.5	-153.3	-66	0	0	0	110.1	E424 M428 Y459 D460 Y464 R481	E424-F462 WeakPolarHBondContact OE1-CE1 3.42Å; E424-F462 WeakPolarHBondContact OE1-CZ 3.21Å; M428-F462 HydrophobicContact CE-CD2 3.81Å; M428-F462 HydrophobicContact CE-CE2 4.05Å; M428-F462 HydrophobicContact SD-CD2 3.61Å; M428-F462 HydrophobicContact SD-CE2 3.88Å; Y459-F462 HydrophobicContact CD1-CD2 4.21Å; Y459-F462 WeakPolarHBondContact O-CB 3.3Å; Y459-F462 PolarHBondContact O-N 2.74Å; D460-F462 PolarHBondContact O-N 3.04Å; F462-Y464 WeakPolarHBondContact CE1-O 3.44Å; F462-R481 HydrophobicContact CD1-CB 4.1Å; F462-R481 HydrophobicContact CD1-CG 3.98Å; F462-R481 HydrophobicContact CD2-CG 4.12Å; F462-R481 HydrophobicContact CE1-CB 4.28Å; F462-R481 HydrophobicContact CE1-CG 3.71Å; F462-R481 VanDerWaalsContact CE1-CZ 3.48Å; F462-R481 HydrophobicContact CE2-CG 3.81Å; F462-R481 HydrophobicContact CG-CB 4.41Å; F462-R481 HydrophobicContact CG-CG 4.26Å; F462-R481 HydrophobicContact CZ-CG 3.69Å
463	N	73.8	Confident	78.4	Confident	74 Å²	74	67.8 Å²	67.8	40%	0.396	36%	0.358	S	S	.	.			trans	-106.9	-14.3	-176.3	66.9	24.1	0	0	0	113.4	A80 F81 E424 K461 T465	A80-N463 PolarHBondContact O-ND2 2.99Å; F81-N463 PolarHBondContact O-ND2 2.84Å; F81-N463 PolarHBondContact O-OD1 2.97Å; E424-N463 WeakPolarHBondContact CG-OD1 3.4Å; E424-N463 PolarHBondContact OE1-N 2.95Å; E424-N463 PolarHBondContact OE1-OD1 2.93Å; K461-N463 PolarHBondContact O-N 2.89Å; K461-N463 VanDerWaalsContact O-N 3.15Å; N463-T465 PolarHBondContact O-N 2.88Å; N463-T465 VanDerWaalsContact O-N 3.16Å
464	Y	67.8	Low	78.2	Confident	71 Å²	71	68.3 Å²	68.3	28%	0.278	36%	0.359	S	S	.	.			trans	-89.9	72.6	-177.8	-162.9	-97.7	0	0	0	113.3	F81 E424 F462 P467 P468 R481	F81-Y464 AromaticContact CD2-CD2 3.39Å; F81-Y464 HydrophobicContact CD2-CD2 3.39Å; F81-Y464 AromaticContact CD2-CE2 3.97Å; F81-Y464 HydrophobicContact CD2-CE2 3.97Å; F81-Y464 HydrophobicContact CD2-CG 4.15Å; F81-Y464 AromaticContact CE2-CD2 3.1Å; F81-Y464 HydrophobicContact CE2-CD2 3.1Å; F81-Y464 AromaticContact CE2-CE2 3.53Å; F81-Y464 HydrophobicContact CE2-CE2 3.53Å; F81-Y464 AromaticContact CE2-CG 3.6Å; F81-Y464 HydrophobicContact CE2-CG 3.6Å; F81-Y464 HydrophobicContact CG-CD2 4.49Å; F81-Y464 HydrophobicContact CZ-CD2 4.03Å; F81-Y464 HydrophobicContact CZ-CE2 4.01Å; E424-Y464 WeakPolarHBondContact OE1-CB 3.38Å; E424-Y464 PolarHBondContact OE1-N 2.92Å; F462-Y464 WeakPolarHBondContact CE1-O 3.44Å; Y464-P467 HydrophobicContact CE1-CB 3.92Å; Y464-P468 WeakPolarHBondContact OH-CD 3.44Å; Y464-R481 PolarHBondContact O-NH1 2.86Å
465	T	64.6	Low	78	Confident	54 Å²	54	69.6 Å²	69.6	33%	0.331	36%	0.361	S	S	.	.			trans	-86.4	-22.4	-179.5	55.8	0	0	0	0	113.8	N463 P467	N463-T465 PolarHBondContact O-N 2.88Å; N463-T465 VanDerWaalsContact O-N 3.16Å; T465-P467 VanDerWaalsContact O-CD 3.23Å; T465-P467 WeakPolarHBondContact O-CD 3.42Å
466	N	62.9	Low	77.9	Confident	135 Å²	135	64.1 Å²	64.1	72%	0.722	33%	0.332	S	S	*	.	S	Bend	trans	-109.7	88	177.5	-74.1	-23.9	0	0	0	110.1
467	P	62	Low	77.9	Confident	39 Å²	39	63.4 Å²	63.4	25%	0.253	32%	0.322	S	S	.	.			trans	-58.4	152.6	170.1	25.8	-32.4	0	0	0	110.5	Y464 T465	Y464-P467 HydrophobicContact CE1-CB 3.92Å; T465-P467 VanDerWaalsContact O-CD 3.23Å; T465-P467 WeakPolarHBondContact O-CD 3.42Å
468	P	60.4	Low	77.8	Confident	62 Å²	62	62.4 Å²	62.4	40%	0.403	32%	0.317	S	S	.	.			trans	-53.4	153.2	171.4	21.4	-32.4	0	0	0	109.3	Y464 D470	Y464-P468 WeakPolarHBondContact OH-CD 3.44Å; P468-D470 HydrophobicContact CB-CB 4.27Å; P468-D470 HydrophobicContact CG-CB 4.18Å; P468-D470 PolarHBondContact O-N 2.83Å; P468-D470 VanDerWaalsContact O-OD1 3.13Å
469	Q	62.5	Low	77.7	Confident	188 Å²	188	62.6 Å²	62.6	88%	0.879	32%	0.317	S	S	*	.	T	Hydrogen-bonded Turn	trans	-73.4	51.3	169.3	-66.7	-173.8	-18.2	0	0	110.2
470	D	67.9	Low	77.7	Confident	51 Å²	51	64.7 Å²	64.7	27%	0.273	33%	0.332	S	S	.	.	T	Hydrogen-bonded Turn	trans	-88.5	-19.4	179	69.6	-19.7	0	0	0	112.3	P468 R659	P468-D470 HydrophobicContact CB-CB 4.27Å; P468-D470 HydrophobicContact CG-CB 4.18Å; P468-D470 PolarHBondContact O-N 2.83Å; P468-D470 VanDerWaalsContact O-OD1 3.13Å; D470-R659 IonicContact OD1-CZ 3.48Å; D470-R659 IonicContact OD1-NH1 3.3Å; D470-R659 PolarHBondContact OD1-NH1 2.84Å; D470-R659 IonicContact OD2-CZ 3.57Å; D470-R659 IonicContact OD2-NH1 2.9Å; D470-R659 PolarHBondContact OD2-NH1 2.9Å; D470-R659 VanDerWaalsContact OD2-NH1 3.07Å; D470-R659 IonicContact OD2-NH2 2.77Å; D470-R659 PolarHBondContact OD2-NH2 3.42Å
471	S	71.8	Confident	77.7	Confident	26 Å²	26	62.3 Å²	62.3	18%	0.182	31%	0.314	C	S	.	.			trans	-114.1	136	170	-173.6	0	0	0	0	111.1	L473 E622	S471-L473 VanDerWaalsContact C-N 3.34Å; S471-L473 PolarHBondContact OG-N 3.48Å; S471-E622 WeakPolarHBondContact CA-O 3.35Å; S471-E622 PolarHBondContact OG-O 2.85Å
472	H	78.2	Confident	77.9	Confident	153 Å²	153	58 Å²	58	71%	0.708	30%	0.296	S	S	*	.			trans	-92.8	3	173.8	-62.9	-63.4	0	0	0	112.8
473	L	89.5	Confident	78.6	Confident	28 Å²	28	57.4 Å²	57.4	15%	0.147	29%	0.293	C	S	.	.	S	Bend	trans	-79.1	150	179.9	-65.4	-179.7	0	0	0	112	S471 R475 A590 V618 D660	S471-L473 VanDerWaalsContact C-N 3.34Å; S471-L473 PolarHBondContact OG-N 3.48Å; L473-R475 PolarHBondContact O-N 3.11Å; L473-A590 HydrophobicContact CB-CB 4.36Å; L473-A590 HydrophobicContact CD1-CB 4.37Å; L473-A590 HydrophobicContact CD2-CB 4.45Å; L473-V618 HydrophobicContact CD1-CG1 3.98Å; L473-V618 HydrophobicContact CD1-CG2 4.25Å; L473-V618 HydrophobicContact CD2-CG1 4.28Å; L473-V618 HydrophobicContact CD2-CG2 3.87Å; L473-V618 HydrophobicContact CG-CG1 4.36Å; L473-D660 HydrophobicContact CB-CB 4.33Å
474	P	92.3	Very high	79.1	Confident	47 Å²	47	54.5 Å²	54.5	31%	0.305	28%	0.278	S	S	.	.			trans	-56.5	133.7	166.4	-22.9	33.8	0	0	0	111.2	V476 Y560 D660	P474-V476 HydrophobicContact CB-CG1 4.35Å; P474-V476 PolarHBondContact O-N 3.36Å; P474-V476 VanDerWaalsContact O-N 3.07Å; P474-Y560 HydrophobicContact CB-CD2 4.03Å; P474-Y560 HydrophobicContact CB-CE1 4.33Å; P474-Y560 HydrophobicContact CB-CE2 3.35Å; P474-Y560 HydrophobicContact CG-CD2 4.46Å; P474-Y560 HydrophobicContact CG-CE2 3.51Å; P474-D660 WeakPolarHBondContact O-CB 3.35Å
475	R	91	Very high	79.9	Confident	57 Å²	57	55.4 Å²	55.4	22%	0.215	29%	0.285	C	S	.	.			trans	-73.5	97.9	178.1	-69.5	-174	67	-167.3	-7.9	110.7	L473 T478 H479 E482 Q545 D660	L473-R475 PolarHBondContact O-N 3.11Å; R475-T478 WeakPolarHBondContact CB-OG1 3.32Å; R475-T478 VanDerWaalsContact CG-OG1 3.31Å; R475-T478 WeakPolarHBondContact CG-OG1 3.42Å; R475-T478 PolarHBondContact NE-OG1 3.4Å; R475-T478 PolarHBondContact NH2-O 2.98Å; R475-H479 WeakPolarHBondContact CB-NE2 3.34Å; R475-H479 PolarHBondContact NH1-CE1 3.07Å; R475-H479 VanDerWaalsContact NH1-CE1 3.35Å; R475-H479 PolarHBondContact NH2-ND1 3.25Å; R475-H479 PolarHBondContact O-CD2 3.49Å; R475-E482 IonicContact CZ-OE1 3.05Å; R475-E482 IonicContact NH1-OE1 3.07Å; R475-E482 IonicContact NH2-OE1 2.89Å; R475-E482 PolarHBondContact NH2-OE1 2.91Å; R475-E482 VanDerWaalsContact NH2-OE1 3.17Å; R475-E482 IonicContact NH2-OE2 3.8Å; R475-Q545 PolarHBondContact O-NE2 3.3Å; R475-D660 WeakPolarHBondContact CA-OD2 3.46Å
476	V	94.4	Very high	81	Confident	0 Å²	0	53.8 Å²	53.8	0%	0	27%	0.274	C	S	.	.	S	Bend	trans	-104.4	-24.6	-176.7	-61.7	0	0	0	0	113.8	P474 M517 F518 Y560 L589 A590 D660 Q663	P474-V476 HydrophobicContact CB-CG1 4.35Å; P474-V476 PolarHBondContact O-N 3.36Å; P474-V476 VanDerWaalsContact O-N 3.07Å; V476-M517 VanDerWaalsContact O-SD 3.33Å; V476-F518 HydrophobicContact CB-CE2 4.07Å; V476-F518 HydrophobicContact CB-CZ 3.86Å; V476-F518 HydrophobicContact CG1-CZ 3.92Å; V476-F518 WeakPolarHBondContact O-CE2 3.28Å; V476-Y560 HydrophobicContact CG1-CD1 4.49Å; V476-Y560 HydrophobicContact CG1-CE1 3.7Å; V476-L589 HydrophobicContact CB-CB 3.92Å; V476-L589 HydrophobicContact CG1-CB 4.12Å; V476-L589 HydrophobicContact CG2-CB 3.81Å; V476-A590 HydrophobicContact CG1-CB 4.49Å; V476-A590 HydrophobicContact CG2-CB 4.31Å; V476-D660 HydrophobicContact CG2-CB 3.92Å; V476-D660 VanDerWaalsContact CG2-O 3.3Å; V476-D660 WeakPolarHBondContact CG2-O 3.47Å; V476-D660 PolarHBondContact N-OD1 2.99Å; V476-Q663 HydrophobicContact CG2-CB 4.33Å
477	R	93.5	Very high	82.3	Confident	25 Å²	25	52.1 Å²	52.1	9%	0.094	27%	0.265	C	S	.	.	S	Bend	trans	-126.6	-27.6	176.9	-67.2	-57.8	-178.8	-142	11.7	113.1	H479 V480 E515 M517 T658 D660 Q663 Q664	R477-H479 PolarHBondContact O-N 3.19Å; R477-H479 VanDerWaalsContact O-N 3.08Å; R477-V480 WeakPolarHBondContact O-CB 3.34Å; R477-V480 PolarHBondContact O-N 3.25Å; R477-E515 IonicContact CZ-OE1 3.99Å; R477-E515 VanDerWaalsContact CZ-OE1 3.28Å; R477-E515 IonicContact CZ-OE2 3.4Å; R477-E515 IonicContact NH1-OE1 3.97Å; R477-E515 PolarHBondContact NH1-OE1 3.37Å; R477-E515 IonicContact NH1-OE2 3.67Å; R477-E515 VanDerWaalsContact NH2-CD 3.34Å; R477-E515 IonicContact NH2-OE1 2.63Å; R477-E515 PolarHBondContact NH2-OE1 3.07Å; R477-E515 IonicContact NH2-OE2 3.7Å; R477-E515 PolarHBondContact NH2-OE2 2.82Å; R477-M517 PolarHBondContact NH1-SD 2.77Å; R477-T658 HydrophobicContact CB-CG2 4.06Å; R477-D660 PolarHBondContact N-OD1 2.86Å; R477-Q663 HydrophobicContact CB-CG 4.35Å; R477-Q663 HydrophobicContact CG-CB 3.82Å; R477-Q663 HydrophobicContact CG-CG 3.59Å; R477-Q664 PolarHBondContact NH2-O 3.21Å
478	T	89.4	Confident	83.9	Confident	19 Å²	19	53.7 Å²	53.7	12%	0.117	27%	0.274	C	S	.	.	T	Hydrogen-bonded Turn	trans	-68	-9.6	-178	55.1	0	0	0	0	113.7	R475 V480 D660	R475-T478 WeakPolarHBondContact CB-OG1 3.32Å; R475-T478 VanDerWaalsContact CG-OG1 3.31Å; R475-T478 WeakPolarHBondContact CG-OG1 3.42Å; R475-T478 PolarHBondContact NE-OG1 3.4Å; R475-T478 PolarHBondContact NH2-O 2.98Å; T478-V480 PolarHBondContact O-N 3.12Å; T478-D660 WeakPolarHBondContact CB-OD2 3.3Å; T478-D660 WeakPolarHBondContact CG2-OD2 3.47Å; T478-D660 PolarHBondContact N-OD1 2.92Å; T478-D660 PolarHBondContact OG1-OD1 3.34Å; T478-D660 PolarHBondContact OG1-OD2 3.03Å
479	H	88.3	Confident	85.5	Confident	18 Å²	18	51.3 Å²	51.3	8%	0.083	26%	0.257	C	S	.	.	T	Hydrogen-bonded Turn	trans	-76.8	2	167.8	-76.5	-54.8	0	0	0	114.3	R475 R477 R481 E482 Y483 W548	R475-H479 WeakPolarHBondContact CB-NE2 3.34Å; R475-H479 PolarHBondContact NH1-CE1 3.07Å; R475-H479 VanDerWaalsContact NH1-CE1 3.35Å; R475-H479 PolarHBondContact NH2-ND1 3.25Å; R475-H479 PolarHBondContact O-CD2 3.49Å; R477-H479 PolarHBondContact O-N 3.19Å; R477-H479 VanDerWaalsContact O-N 3.08Å; H479-R481 PolarHBondContact O-N 3.11Å; H479-E482 WeakPolarHBondContact CA-OE2 3.25Å; H479-E482 IonicContact CE1-OE1 3.93Å; H479-E482 IonicContact CG-OE1 3.16Å; H479-E482 IonicContact ND1-OE1 3.23Å; H479-E482 PolarHBondContact ND1-OE1 3Å; H479-E482 IonicContact ND1-OE2 3.17Å; H479-E482 PolarHBondContact O-N 2.69Å; H479-E482 VanDerWaalsContact O-N 3.09Å; H479-Y483 HydrophobicContact CB-CD2 4.26Å; H479-Y483 HydrophobicContact CB-CE2 4.14Å; H479-Y483 VanDerWaalsContact O-CD2 3.25Å; H479-Y483 WeakPolarHBondContact O-CD2 3.34Å; H479-Y483 PolarHBondContact O-N 3.37Å; H479-W548 HydrophobicContact CB-CD2 4.25Å; H479-W548 HydrophobicContact CB-CE3 4.24Å; H479-W548 AromaticContact CD2-CE3 3.93Å; H479-W548 AromaticContact CD2-CH2 3.49Å; H479-W548 VanDerWaalsContact CD2-CH2 3.49Å; H479-W548 WeakPolarHBondContact CD2-CH2 3.26Å; H479-W548 AromaticContact CD2-CZ2 3.89Å; H479-W548 AromaticContact CD2-CZ3 3.51Å; H479-W548 AromaticContact CE1-CE2 3.68Å; H479-W548 AromaticContact CE1-CH2 3.59Å; H479-W548 AromaticContact CE1-CZ2 3.24Å; H479-W548 WeakPolarHBondContact CE1-CZ2 3.27Å; H479-W548 AromaticContact CG-CD2 3.95Å; H479-W548 AromaticContact CG-CE2 3.99Å; H479-W548 AromaticContact CG-CE3 3.96Å; H479-W548 AromaticContact ND1-CE2 3.62Å; H479-W548 AromaticContact ND1-CZ2 3.68Å; H479-W548 AromaticContact ND1-NE1 4Å; H479-W548 AromaticContact NE2-CH2 3.2Å; H479-W548 WeakPolarHBondContact NE2-CH2 3.38Å; H479-W548 AromaticContact NE2-CZ2 3.4Å; H479-W548 WeakPolarHBondContact NE2-CZ2 3.49Å; H479-W548 AromaticContact NE2-CZ3 3.76Å
480	V	86.6	Confident	87.1	Confident	64 Å²	64	43.9 Å²	43.9	39%	0.388	22%	0.224	S	C	.	.	H	α-helix	trans	-49.2	-33.5	179.3	65.6	0	0	0	0	113	R477 T478 Y483 V484 M517	R477-V480 WeakPolarHBondContact O-CB 3.34Å; R477-V480 PolarHBondContact O-N 3.25Å; T478-V480 PolarHBondContact O-N 3.12Å; V480-Y483 PolarHBondContact O-N 2.86Å; V480-V484 HydrophobicContact CG2-CG1 4.38Å; V480-V484 WeakPolarHBondContact O-CG1 3.34Å; V480-V484 WeakPolarHBondContact O-CG2 3.34Å; V480-V484 PolarHBondContact O-N 2.69Å; V480-V484 VanDerWaalsContact O-N 3.1Å; V480-M517 HydrophobicContact CB-CE 3.51Å; V480-M517 HydrophobicContact CG2-CE 3.96Å
481	R	79.5	Confident	88.4	Confident	69 Å²	69	43.2 Å²	43.2	26%	0.26	22%	0.221	S	C	.	.	H	α-helix	trans	-66	-43.9	-176.8	-64.1	154.4	-179.8	-146.5	-1.5	111.2	F462 Y464 H479 V484 Q485	F462-R481 HydrophobicContact CD1-CB 4.1Å; F462-R481 HydrophobicContact CD1-CG 3.98Å; F462-R481 HydrophobicContact CD2-CG 4.12Å; F462-R481 HydrophobicContact CE1-CB 4.28Å; F462-R481 HydrophobicContact CE1-CG 3.71Å; F462-R481 VanDerWaalsContact CE1-CZ 3.48Å; F462-R481 HydrophobicContact CE2-CG 3.81Å; F462-R481 HydrophobicContact CG-CB 4.41Å; F462-R481 HydrophobicContact CG-CG 4.26Å; F462-R481 HydrophobicContact CZ-CG 3.69Å; Y464-R481 PolarHBondContact O-NH1 2.86Å; H479-R481 PolarHBondContact O-N 3.11Å; R481-V484 VanDerWaalsContact O-CG2 3.31Å; R481-V484 WeakPolarHBondContact O-CG2 3.49Å; R481-Q485 WeakPolarHBondContact O-CG 3.42Å; R481-Q485 PolarHBondContact O-N 3.33Å
482	E	85.8	Confident	89.6	Confident	22 Å²	22	42.4 Å²	42.4	10%	0.103	21%	0.214	C	C	.	.	H	α-helix	trans	-72.8	-31.6	179.2	-57.9	90.3	136.9	0	0	111.6	R475 H479 N486 W548	R475-E482 IonicContact CZ-OE1 3.05Å; R475-E482 IonicContact NH1-OE1 3.07Å; R475-E482 IonicContact NH2-OE1 2.89Å; R475-E482 PolarHBondContact NH2-OE1 2.91Å; R475-E482 VanDerWaalsContact NH2-OE1 3.17Å; R475-E482 IonicContact NH2-OE2 3.8Å; H479-E482 WeakPolarHBondContact CA-OE2 3.25Å; H479-E482 IonicContact CE1-OE1 3.93Å; H479-E482 IonicContact CG-OE1 3.16Å; H479-E482 IonicContact ND1-OE1 3.23Å; H479-E482 PolarHBondContact ND1-OE1 3Å; H479-E482 IonicContact ND1-OE2 3.17Å; H479-E482 PolarHBondContact O-N 2.69Å; H479-E482 VanDerWaalsContact O-N 3.09Å; E482-N486 PolarHBondContact O-ND2 3.36Å; E482-N486 VanDerWaalsContact O-ND2 3.12Å; E482-W548 HydrophobicContact CB-CB 4Å; E482-W548 HydrophobicContact CB-CG 3.77Å
483	Y	89.4	Confident	90.5	Very high	3 Å²	3	38.8 Å²	38.8	1%	0.012	20%	0.2	C	C	.	.	H	α-helix	trans	-65.9	-48.4	173.7	-81.6	-74.7	0	0	0	112.7	H479 V480 Q485 N486 T516 M517 R546 W548 M554	H479-Y483 HydrophobicContact CB-CD2 4.26Å; H479-Y483 HydrophobicContact CB-CE2 4.14Å; H479-Y483 VanDerWaalsContact O-CD2 3.25Å; H479-Y483 WeakPolarHBondContact O-CD2 3.34Å; H479-Y483 PolarHBondContact O-N 3.37Å; V480-Y483 PolarHBondContact O-N 2.86Å; Y483-Q485 PolarHBondContact O-N 2.91Å; Y483-N486 WeakPolarHBondContact O-CB 3.36Å; Y483-N486 PolarHBondContact O-N 2.86Å; Y483-N486 PolarHBondContact O-ND2 3.08Å; Y483-N486 VanDerWaalsContact O-ND2 3.07Å; Y483-T516 HydrophobicContact CD1-CG2 3.61Å; Y483-T516 HydrophobicContact CE1-CG2 4.2Å; Y483-T516 WeakPolarHBondContact CE1-O 3.44Å; Y483-T516 HydrophobicContact CG-CG2 4Å; Y483-M517 HydrophobicContact CD2-CE 3.94Å; Y483-M517 HydrophobicContact CD2-CG 3.83Å; Y483-M517 HydrophobicContact CE2-CB 4.17Å; Y483-M517 HydrophobicContact CE2-CE 4.42Å; Y483-M517 HydrophobicContact CE2-CG 3.6Å; Y483-M517 HydrophobicContact CG-CG 4.49Å; Y483-R546 WeakPolarHBondContact OH-CB 3.47Å; Y483-R546 PolarHBondContact OH-O 3.16Å; Y483-W548 HydrophobicContact CD1-CB 3.97Å; Y483-W548 HydrophobicContact CD2-CB 3.82Å; Y483-W548 HydrophobicContact CE1-CB 3.88Å; Y483-W548 HydrophobicContact CE2-CB 3.68Å; Y483-W548 HydrophobicContact CE2-CE3 4.31Å; Y483-W548 HydrophobicContact CE2-CG 4.5Å; Y483-W548 HydrophobicContact CG-CB 3.97Å; Y483-M554 HydrophobicContact CD1-CE 3.6Å; Y483-M554 HydrophobicContact CD1-CG 4.2Å; Y483-M554 HydrophobicContact CD1-SD 3.91Å; Y483-M554 HydrophobicContact CE1-CE 3.9Å; Y483-M554 HydrophobicContact CE1-CG 4.03Å; Y483-M554 HydrophobicContact CE1-SD 4.32Å
484	V	84.4	Confident	91	Very high	13 Å²	13	37.8 Å²	37.8	8%	0.079	19%	0.194	C	C	.	.	H	α-helix	trans	-70.9	-13.7	-175.6	-62	0	0	0	0	114.1	Q430 Y459 V480 R481 N486	Q430-V484 PolarHBondContact NE2-O 3.22Å; Y459-V484 HydrophobicContact CD1-CG2 3.71Å; Y459-V484 HydrophobicContact CD2-CB 4.48Å; Y459-V484 HydrophobicContact CD2-CG2 4.13Å; Y459-V484 HydrophobicContact CE1-CG2 4.07Å; Y459-V484 HydrophobicContact CE2-CG2 4.46Å; Y459-V484 HydrophobicContact CG-CG2 3.75Å; V480-V484 HydrophobicContact CG2-CG1 4.38Å; V480-V484 WeakPolarHBondContact O-CG1 3.34Å; V480-V484 WeakPolarHBondContact O-CG2 3.34Å; V480-V484 PolarHBondContact O-N 2.69Å; V480-V484 VanDerWaalsContact O-N 3.1Å; R481-V484 VanDerWaalsContact O-CG2 3.31Å; R481-V484 WeakPolarHBondContact O-CG2 3.49Å; V484-N486 PolarHBondContact O-N 3.1Å
485	Q	82.8	Confident	91.3	Very high	91 Å²	91	37.3 Å²	37.3	43%	0.425	19%	0.194	S	C	.	.	T	Hydrogen-bonded Turn	trans	-70.2	-16.3	172.5	-76.8	176.6	-14.2	0	0	113.3	R481 Y483	R481-Q485 WeakPolarHBondContact O-CG 3.42Å; R481-Q485 PolarHBondContact O-N 3.33Å; Y483-Q485 PolarHBondContact O-N 2.91Å
486	N	88.4	Confident	91.6	Very high	20 Å²	20	34.6 Å²	34.6	11%	0.107	18%	0.184	C	C	.	.			trans	-78.8	126.8	177.3	-65.4	-80.6	0	0	0	110.6	E482 Y483 V484 Y489 W548 S550 A551 M554	E482-N486 PolarHBondContact O-ND2 3.36Å; E482-N486 VanDerWaalsContact O-ND2 3.12Å; Y483-N486 WeakPolarHBondContact O-CB 3.36Å; Y483-N486 PolarHBondContact O-N 2.86Å; Y483-N486 PolarHBondContact O-ND2 3.08Å; Y483-N486 VanDerWaalsContact O-ND2 3.07Å; V484-N486 PolarHBondContact O-N 3.1Å; N486-Y489 HydrophobicContact CB-CD1 3.85Å; N486-Y489 WeakPolarHBondContact O-CD1 3.34Å; N486-Y489 WeakPolarHBondContact O-CE1 3.31Å; N486-W548 PolarHBondContact ND2-O 2.87Å; N486-S550 VanDerWaalsContact OD1-CA 3.31Å; N486-S550 WeakPolarHBondContact OD1-CA 3.44Å; N486-A551 PolarHBondContact OD1-N 2.91Å; N486-M554 HydrophobicContact CB-SD 4.28Å
487	D	90.7	Very high	91.8	Very high	99 Å²	99	39.3 Å²	39.3	53%	0.529	20%	0.203	S	C	.	.	S	Bend	trans	-71.8	-35.7	-178.6	-75.8	-46.3	0	0	0	113.6	A453 N454	A453-D487 CarbonylContact C-O 3.59Å; A453-D487 WeakPolarHBondContact CA-O 3.41Å; N454-D487 HydrophobicContact CB-CB 4.31Å; N454-D487 VanDerWaalsContact CB-O 3.24Å; N454-D487 WeakPolarHBondContact CB-O 3.31Å; N454-D487 PolarHBondContact N-O 2.81Å; N454-D487 PolarHBondContact ND2-OD1 2.88Å
488	V	94.3	Very high	92.1	Very high	73 Å²	73	38.2 Å²	38.2	44%	0.442	20%	0.198	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-138.5	125.6	-179.4	-178.9	0	0	0	0	109.1	L451 F452 A453 A551	L451-V488 HydrophobicContact CD1-CG1 3.99Å; L451-V488 HydrophobicContact CD2-CG1 4.15Å; L451-V488 HydrophobicContact CG-CG1 4.13Å; F452-V488 VanDerWaalsContact O-CA 3.29Å; F452-V488 WeakPolarHBondContact O-CA 3.46Å; A453-V488 HydrophobicContact CB-CG2 4.32Å; V488-A551 WeakPolarHBondContact O-CB 3.23Å
489	Y	94.6	Very high	92.4	Very high	11 Å²	11	40 Å²	40	4%	0.043	21%	0.205	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-154.5	156	-179.5	57.7	-95.8	0	0	0	113.1	L451 F452 N486 N491 T516 M554	L451-Y489 WeakPolarHBondContact CD1-O 3.45Å; F452-Y489 HydrophobicContact CB-CD2 4.21Å; F452-Y489 HydrophobicContact CB-CE1 4.28Å; F452-Y489 HydrophobicContact CB-CE2 3.79Å; F452-Y489 HydrophobicContact CD1-CD1 4.12Å; F452-Y489 AromaticContact CD1-CE1 3.37Å; F452-Y489 HydrophobicContact CD1-CE1 3.37Å; F452-Y489 HydrophobicContact CD1-CE2 4.3Å; F452-Y489 AromaticContact CD1-CZ 3.47Å; F452-Y489 VanDerWaalsContact CD1-CZ 3.47Å; F452-Y489 WeakPolarHBondContact CD1-OH 3.25Å; F452-Y489 AromaticContact CE1-CE1 3.98Å; F452-Y489 HydrophobicContact CE1-CE1 3.98Å; F452-Y489 HydrophobicContact CG-CE1 4.09Å; F452-Y489 HydrophobicContact CG-CE2 4.21Å; F452-Y489 AromaticContact CG-CZ 3.74Å; F452-Y489 PolarHBondContact N-O 3.03Å; F452-Y489 PolarHBondContact O-N 3.18Å; F452-Y489 VanDerWaalsContact O-N 3.08Å; N486-Y489 HydrophobicContact CB-CD1 3.85Å; N486-Y489 WeakPolarHBondContact O-CD1 3.34Å; N486-Y489 WeakPolarHBondContact O-CE1 3.31Å; Y489-N491 HydrophobicContact CE2-CB 4.41Å; Y489-N491 PolarHBondContact O-N 2.78Å; Y489-T516 HydrophobicContact CD2-CG2 4.37Å; Y489-T516 HydrophobicContact CE2-CG2 4Å; Y489-M554 WeakPolarHBondContact CB-SD 3.27Å; Y489-M554 HydrophobicContact CD1-CE 4.48Å; Y489-M554 HydrophobicContact CD1-SD 4.45Å; Y489-M554 HydrophobicContact CD2-CE 3.5Å; Y489-M554 HydrophobicContact CD2-SD 4.42Å; Y489-M554 HydrophobicContact CE2-CE 4.33Å; Y489-M554 HydrophobicContact CG-CE 3.6Å; Y489-M554 HydrophobicContact CG-SD 3.9Å
490	V	96.1	Very high	92.8	Very high	32 Å²	32	41.4 Å²	41.4	19%	0.194	21%	0.212	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-74.5	111	171.9	177.9	0	0	0	0	108.5	L451 N492 L493 Y513 R546 M555	L451-V490 HydrophobicContact CD1-CG2 4.16Å; V490-N492 WeakPolarHBondContact CG1-O 3.25Å; V490-L493 HydrophobicContact CG1-CB 3.99Å; V490-Y513 HydrophobicContact CG1-CD2 4.37Å; V490-R546 PolarHBondContact O-NH1 2.76Å; V490-R546 PolarHBondContact O-NH2 3.46Å; V490-M555 HydrophobicContact CB-SD 3.88Å; V490-M555 HydrophobicContact CG1-SD 4.49Å; V490-M555 HydrophobicContact CG2-CE 4.27Å; V490-M555 HydrophobicContact CG2-SD 3.66Å
491	N	95.4	Very high	93.3	Very high	38 Å²	38	43.2 Å²	43.2	20%	0.203	22%	0.219	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-70.3	-51	177.6	-179.9	65.8	0	0	0	110.5	S450 Y489 E515 T516 R546	S450-N491 PolarHBondContact O-N 2.66Å; Y489-N491 HydrophobicContact CE2-CB 4.41Å; Y489-N491 PolarHBondContact O-N 2.78Å; N491-E515 CarbonylContact O-C 3.6Å; N491-T516 PolarHBondContact O-N 3.46Å; N491-T516 VanDerWaalsContact O-N 3.12Å; N491-T516 PolarHBondContact OD1-OG1 2.86Å; N491-R546 PolarHBondContact O-NH1 3.24Å
492	N	96.8	Very high	94	Very high	8 Å²	8	40.9 Å²	40.9	4%	0.043	22%	0.216	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-146.3	157.9	172.5	64.6	84.7	0	0	0	110.3	G449 S450 V490 Y513	G449-N492 CarbonylContact C-O 3.45Å; G449-N492 VanDerWaalsContact CA-O 3.32Å; G449-N492 WeakPolarHBondContact CA-O 3.39Å; S450-N492 VanDerWaalsContact CB-ND2 3.32Å; S450-N492 WeakPolarHBondContact CB-ND2 3.09Å; S450-N492 PolarHBondContact N-O 2.82Å; S450-N492 PolarHBondContact OG-ND2 2.86Å; V490-N492 WeakPolarHBondContact CG1-O 3.25Å; N492-Y513 WeakPolarHBondContact CA-O 3.15Å; N492-Y513 WeakPolarHBondContact CB-O 3.49Å
493	L	98.2	Very high	94.3	Very high	78 Å²	78	46.4 Å²	46.4	41%	0.408	25%	0.247	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-157.6	98.6	172	178.9	63	0	0	0	107.8	T448 V490 G512 Y513	T448-L493 CarbonylContact O-C 3.58Å; T448-L493 VanDerWaalsContact O-CA 3.32Å; T448-L493 WeakPolarHBondContact O-CA 3.33Å; V490-L493 HydrophobicContact CG1-CB 3.99Å; L493-G512 CarbonylContact O-C 3.58Å; L493-G512 WeakPolarHBondContact O-CA 3.42Å; L493-Y513 CarbonylContact C-O 3.54Å; L493-Y513 HydrophobicContact CB-CD2 3.94Å; L493-Y513 PolarHBondContact N-O 3.02Å; L493-Y513 PolarHBondContact O-N 3.29Å
494	Q	98.4	Very high	94.6	Very high	6 Å²	6	46.2 Å²	46.2	3%	0.028	25%	0.246	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-142.1	148.3	-170	61.6	-179.2	58.6	0	0	112.7	T447 T448 N496 G511 L514	T447-Q494 WeakPolarHBondContact CA-O 3.3Å; T448-Q494 HydrophobicContact CG2-CG 3.58Å; T448-Q494 PolarHBondContact N-O 2.92Å; T448-Q494 PolarHBondContact O-N 3.05Å; Q494-N496 PolarHBondContact NE2-OD1 2.85Å; Q494-G511 WeakPolarHBondContact CA-O 3.37Å; Q494-L514 HydrophobicContact CB-CD2 4.14Å; Q494-L514 VanDerWaalsContact OE1-CA 3.3Å; Q494-L514 PolarHBondContact OE1-O 2.94Å
495	A	98.7	Very high	95.3	Very high	37 Å²	37	49.7 Å²	49.7	31%	0.306	26%	0.26	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-101.1	140.6	167.4	0	0	0	0	0	109.6	L445 L446 Y510 G511	L445-A495 HydrophobicContact CD1-CB 4.24Å; L446-A495 CarbonylContact O-C 3.52Å; L446-A495 WeakPolarHBondContact O-CA 3.38Å; A495-Y510 CarbonylContact O-C 3.58Å; A495-Y510 WeakPolarHBondContact O-CA 3.08Å; A495-G511 PolarHBondContact N-O 3.3Å; A495-G511 PolarHBondContact O-N 3.36Å
496	N	98.6	Very high	96	Very high	0 Å²	0	45.3 Å²	45.3	0%	0	24%	0.24	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-136.4	123.9	-174.4	-45.6	-90.8	0	0	0	108.9	L445 L446 Q494 F498 V509 Y510	L445-N496 CarbonylContact C-O 3.55Å; L445-N496 WeakPolarHBondContact CA-O 3.02Å; L446-N496 PolarHBondContact N-O 2.65Å; L446-N496 PolarHBondContact O-N 2.97Å; L446-N496 PolarHBondContact O-ND2 2.7Å; L446-N496 VanDerWaalsContact O-ND2 3.08Å; Q494-N496 PolarHBondContact NE2-OD1 2.85Å; N496-F498 HydrophobicContact CB-CE1 4.14Å; N496-F498 HydrophobicContact CB-CE2 3.77Å; N496-F498 HydrophobicContact CB-CZ 3.54Å; N496-V509 CarbonylContact C-O 3.46Å; N496-V509 WeakPolarHBondContact CA-O 3.02Å; N496-Y510 WeakPolarHBondContact OD1-CB 3.02Å
497	Y	98.6	Very high	96.5	Very high	99 Å²	99	44.8 Å²	44.8	39%	0.388	24%	0.239	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-102.6	118.7	171.9	-173.3	-81.1	0	0	0	108.9	H444 Q499 Q508 V509	H444-Y497 HydrophobicContact CB-CD2 3.87Å; H444-Y497 HydrophobicContact CB-CE1 4.11Å; H444-Y497 HydrophobicContact CB-CE2 3.41Å; H444-Y497 VanDerWaalsContact CB-CE2 3.41Å; H444-Y497 HydrophobicContact CB-CG 4.39Å; H444-Y497 AromaticContact CG-CZ 3.9Å; H444-Y497 CarbonylContact O-C 3.57Å; H444-Y497 VanDerWaalsContact O-CA 3.29Å; H444-Y497 WeakPolarHBondContact O-CA 3.43Å; Y497-Q499 HydrophobicContact CE1-CB 4.09Å; Y497-Q499 PolarHBondContact OH-OE1 2.89Å; Y497-Q508 CarbonylContact O-C 3.55Å; Y497-Q508 WeakPolarHBondContact O-CA 3.5Å; Y497-V509 PolarHBondContact N-O 2.8Å; Y497-V509 PolarHBondContact O-N 3.24Å
498	F	98.4	Very high	96.9	Very high	2 Å²	2	40.3 Å²	40.3	1%	0.009	22%	0.215	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-108.1	139.8	179.6	-57.3	-68.7	0	0	0	112.1	L355 M357 W440 H444 L446 N496 Q508 F669 M674	L355-F498 HydrophobicContact CD1-CZ 4.37Å; M357-F498 HydrophobicContact CE-CB 4.28Å; M357-F498 HydrophobicContact CE-CD1 4.23Å; M357-F498 HydrophobicContact CE-CG 4.39Å; M357-F498 HydrophobicContact CG-CB 4.15Å; M357-F498 HydrophobicContact SD-CB 3.92Å; W440-F498 AromaticContact CH2-CD2 3.93Å; W440-F498 HydrophobicContact CH2-CD2 3.93Å; W440-F498 HydrophobicContact CH2-CE2 4.26Å; W440-F498 HydrophobicContact CZ3-CD2 4.27Å; H444-F498 PolarHBondContact ND1-O 2.93Å; H444-F498 PolarHBondContact O-N 2.97Å; L446-F498 HydrophobicContact CB-CE2 3.93Å; L446-F498 HydrophobicContact CD2-CE2 4Å; N496-F498 HydrophobicContact CB-CE1 4.14Å; N496-F498 HydrophobicContact CB-CE2 3.77Å; N496-F498 HydrophobicContact CB-CZ 3.54Å; F498-Q508 HydrophobicContact CD1-CB 3.8Å; F498-Q508 HydrophobicContact CE1-CB 4.16Å; F498-F669 HydrophobicContact CE1-CB 4.03Å; F498-F669 HydrophobicContact CE1-CD2 4.49Å; F498-F669 HydrophobicContact CE1-CG 4.2Å; F498-F669 HydrophobicContact CZ-CB 4.1Å; F498-F669 HydrophobicContact CZ-CD1 4.16Å; F498-F669 AromaticContact CZ-CD2 3.78Å; F498-F669 HydrophobicContact CZ-CD2 3.78Å; F498-F669 HydrophobicContact CZ-CE2 4.21Å; F498-F669 AromaticContact CZ-CG 3.75Å; F498-F669 HydrophobicContact CZ-CG 3.75Å; F498-M674 HydrophobicContact CD1-CE 4.11Å; F498-M674 HydrophobicContact CD1-SD 4.28Å; F498-M674 HydrophobicContact CE1-CE 3.79Å; F498-M674 HydrophobicContact CE1-SD 3.73Å; F498-M674 HydrophobicContact CZ-SD 4.25Å
499	Q	97.1	Very high	97.1	Very high	56 Å²	56	41 Å²	41	26%	0.262	22%	0.219	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-143.1	127.4	-179.8	-169.1	66.5	41.3	0	0	112.1	Y497 L501 Y506 G507	Y497-Q499 HydrophobicContact CE1-CB 4.09Å; Y497-Q499 PolarHBondContact OH-OE1 2.89Å; Q499-L501 HydrophobicContact CB-CD2 4.19Å; Q499-L501 HydrophobicContact CG-CD2 3.54Å; Q499-L501 HydrophobicContact CG-CG 4.24Å; Q499-Y506 WeakPolarHBondContact O-CA 3.44Å; Q499-G507 PolarHBondContact N-O 2.71Å; Q499-G507 PolarHBondContact O-N 3Å
500	H	96.2	Very high	97.3	Very high	48 Å²	48	41 Å²	41	22%	0.222	22%	0.219	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-80.2	118.3	157.7	171.5	-124.2	0	0	0	108.5	P358 G502 Y506	P358-H500 HydrophobicContact CG-CB 4.33Å; H500-G502 WeakPolarHBondContact NE2-CA 3.17Å; H500-G502 PolarHBondContact NE2-N 2.81Å; H500-Y506 HydrophobicContact CB-CD1 4.17Å; H500-Y506 HydrophobicContact CB-CE1 4.02Å; H500-Y506 AromaticContact CD2-CE1 3.56Å; H500-Y506 AromaticContact CD2-CZ 3.65Å
501	L	96.4	Very high	97.4	Very high	102 Å²	102	40.7 Å²	40.7	53%	0.534	22%	0.222	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-94.6	-5.9	-175.5	-60.4	169.7	0	0	0	112.4	Q499 F505	Q499-L501 HydrophobicContact CB-CD2 4.19Å; Q499-L501 HydrophobicContact CG-CD2 3.54Å; Q499-L501 HydrophobicContact CG-CG 4.24Å; L501-F505 HydrophobicContact CB-CB 3.79Å; L501-F505 HydrophobicContact CD1-CB 4.3Å; L501-F505 PolarHBondContact N-O 2.89Å
502	G	94.6	Very high	97.6	Very high	20 Å²	20	40.3 Å²	40.3	21%	0.206	23%	0.227	C	C	.	.	E	Extended strand (participates in β ladder)	trans	93.4	158.7	-177.8	0	0	0	0	0	113.3	H500 G504 F505	H500-G502 WeakPolarHBondContact NE2-CA 3.17Å; H500-G502 PolarHBondContact NE2-N 2.81Å; G502-G504 VanDerWaalsContact C-N 3.28Å; G502-G504 PolarHBondContact O-N 2.83Å; G502-F505 WeakPolarHBondContact O-CB 3.24Å; G502-F505 PolarHBondContact O-N 3.1Å
503	N	93.3	Very high	97.6	Very high	138 Å²	138	41.8 Å²	41.8	74%	0.738	23%	0.232	S	C	*	.	T	Hydrogen-bonded Turn	trans	53.3	40.6	174.2	-55.7	-41.1	0	0	0	113.9	F505 Y527	N503-F505 VanDerWaalsContact C-N 3.27Å; N503-F505 PolarHBondContact O-N 2.76Å; N503-Y527 WeakPolarHBondContact O-CE2 3.48Å
504	G	95.4	Very high	97.6	Very high	0 Å²	0	38.3 Å²	38.3	0%	0	21%	0.214	C	C	.	.	T	Hydrogen-bonded Turn	trans	75.6	7.1	-178.7	0	0	0	0	0	115.5	G502 R528 R678	G502-G504 VanDerWaalsContact C-N 3.28Å; G502-G504 PolarHBondContact O-N 2.83Å; G504-R528 PolarHBondContact O-N 3.46Å; G504-R678 VanDerWaalsContact CA-NH2 3.32Å
505	F	98.3	Very high	97.5	Very high	85 Å²	85	39.5 Å²	39.5	37%	0.373	22%	0.22	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-89.7	132.9	170.8	-72.6	-90.9	0	0	0	111.7	L501 G502 N503 V525 L526 Y527	L501-F505 HydrophobicContact CB-CB 3.79Å; L501-F505 HydrophobicContact CD1-CB 4.3Å; L501-F505 PolarHBondContact N-O 2.89Å; G502-F505 WeakPolarHBondContact O-CB 3.24Å; G502-F505 PolarHBondContact O-N 3.1Å; N503-F505 VanDerWaalsContact C-N 3.27Å; N503-F505 PolarHBondContact O-N 2.76Å; F505-V525 HydrophobicContact CD1-CG1 4.28Å; F505-L526 CarbonylContact C-O 3.36Å; F505-L526 WeakPolarHBondContact CA-O 3.4Å; F505-Y527 HydrophobicContact CD1-CD2 4.15Å; F505-Y527 HydrophobicContact CD1-CG 4.42Å; F505-Y527 AromaticContact CD2-CD2 3.69Å; F505-Y527 HydrophobicContact CD2-CD2 3.69Å; F505-Y527 HydrophobicContact CD2-CE2 4.12Å; F505-Y527 AromaticContact CE1-CD2 3.88Å; F505-Y527 HydrophobicContact CE1-CD2 3.88Å; F505-Y527 AromaticContact CE1-CG 3.92Å; F505-Y527 HydrophobicContact CE1-CG 3.92Å; F505-Y527 AromaticContact CE2-CD2 3.37Å; F505-Y527 HydrophobicContact CE2-CD2 3.37Å; F505-Y527 AromaticContact CE2-CE2 3.63Å; F505-Y527 HydrophobicContact CE2-CE2 3.63Å; F505-Y527 HydrophobicContact CE2-CG 4.15Å; F505-Y527 HydrophobicContact CG-CD2 4.07Å; F505-Y527 HydrophobicContact CZ-CD1 4.5Å; F505-Y527 AromaticContact CZ-CD2 3.48Å; F505-Y527 HydrophobicContact CZ-CD2 3.48Å; F505-Y527 VanDerWaalsContact CZ-CD2 3.48Å; F505-Y527 HydrophobicContact CZ-CE2 4.03Å; F505-Y527 AromaticContact CZ-CG 3.76Å; F505-Y527 HydrophobicContact CZ-CG 3.76Å
506	Y	98.5	Very high	97.4	Very high	0 Å²	0	38.9 Å²	38.9	0%	0	21%	0.212	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-129.8	146.2	173.1	-61.5	-97.6	0	0	0	109.1	M357 P358 Q499 H500 V525 L526 L671 T675 R678	M357-Y506 HydrophobicContact CB-CD1 4.14Å; M357-Y506 HydrophobicContact CB-CE1 4.04Å; M357-Y506 HydrophobicContact CG-CD1 4.41Å; M357-Y506 HydrophobicContact SD-CD1 3.79Å; P358-Y506 WeakPolarHBondContact O-CE1 3.49Å; P358-Y506 PolarHBondContact O-OH 3.25Å; Q499-Y506 WeakPolarHBondContact O-CA 3.44Å; H500-Y506 HydrophobicContact CB-CD1 4.17Å; H500-Y506 HydrophobicContact CB-CE1 4.02Å; H500-Y506 AromaticContact CD2-CE1 3.56Å; H500-Y506 AromaticContact CD2-CZ 3.65Å; Y506-V525 CarbonylContact O-C 3.59Å; Y506-V525 WeakPolarHBondContact O-CA 3.24Å; Y506-L526 PolarHBondContact N-O 3.01Å; Y506-L526 PolarHBondContact O-N 2.8Å; Y506-L671 WeakPolarHBondContact O-CD1 3.21Å; Y506-T675 HydrophobicContact CD1-CG2 4Å; Y506-T675 HydrophobicContact CD2-CG2 3.79Å; Y506-T675 HydrophobicContact CE1-CG2 4.21Å; Y506-T675 HydrophobicContact CE2-CG2 4.02Å; Y506-T675 HydrophobicContact CG-CG2 3.79Å; Y506-R678 VanDerWaalsContact CE2-CD 3.47Å; Y506-R678 WeakPolarHBondContact OH-CD 3.47Å; Y506-R678 PolarHBondContact OH-NH1 3.19Å; Y506-R678 VanDerWaalsContact OH-NH1 3.15Å
507	G	98.5	Very high	97.3	Very high	8 Å²	8	39.7 Å²	39.7	8%	0.082	22%	0.216	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-136.4	149.7	-179.6	0	0	0	0	0	111.5	Q499 E524	Q499-G507 PolarHBondContact N-O 2.71Å; Q499-G507 PolarHBondContact O-N 3Å; G507-E524 CarbonylContact C-O 3.59Å; G507-E524 WeakPolarHBondContact CA-O 3.29Å
508	Q	98.6	Very high	97.3	Very high	5 Å²	5	35 Å²	35	2%	0.023	20%	0.198	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-141.1	150.3	167	62.4	168.8	-37.7	0	0	112.4	Y497 F498 Y510 A523 E524 F669 L671	Y497-Q508 CarbonylContact O-C 3.55Å; Y497-Q508 WeakPolarHBondContact O-CA 3.5Å; F498-Q508 HydrophobicContact CD1-CB 3.8Å; F498-Q508 HydrophobicContact CE1-CB 4.16Å; Q508-Y510 HydrophobicContact CG-CD1 3.98Å; Q508-Y510 HydrophobicContact CG-CE1 3.98Å; Q508-A523 CarbonylContact O-C 3.44Å; Q508-A523 WeakPolarHBondContact O-CA 3.45Å; Q508-E524 HydrophobicContact CG-CB 3.76Å; Q508-E524 PolarHBondContact N-O 2.79Å; Q508-E524 PolarHBondContact NE2-OE2 3.31Å; Q508-E524 PolarHBondContact O-N 2.88Å; Q508-F669 PolarHBondContact NE2-O 3.06Å; Q508-L671 HydrophobicContact CG-CD1 4.05Å; Q508-L671 HydrophobicContact CG-CD2 4.38Å; Q508-L671 HydrophobicContact CG-CG 4.01Å
509	V	98.7	Very high	97.3	Very high	89 Å²	89	34.9 Å²	34.9	54%	0.539	20%	0.197	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-128	132.3	168.5	-179.3	0	0	0	0	107.6	N496 Y497 G522 A523	N496-V509 CarbonylContact C-O 3.46Å; N496-V509 WeakPolarHBondContact CA-O 3.02Å; Y497-V509 PolarHBondContact N-O 2.8Å; Y497-V509 PolarHBondContact O-N 3.24Å; V509-G522 WeakPolarHBondContact CA-O 3.23Å; V509-A523 HydrophobicContact CG2-CB 4.11Å
510	Y	98.7	Very high	97.3	Very high	10 Å²	10	33.2 Å²	33.2	4%	0.039	20%	0.195	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-140	154.9	-176.4	48	-92.5	0	0	0	111.9	A495 N496 Q508 L514 A521 G522 E524 N541 R667	A495-Y510 CarbonylContact O-C 3.58Å; A495-Y510 WeakPolarHBondContact O-CA 3.08Å; N496-Y510 WeakPolarHBondContact OD1-CB 3.02Å; Q508-Y510 HydrophobicContact CG-CD1 3.98Å; Q508-Y510 HydrophobicContact CG-CE1 3.98Å; Y510-L514 HydrophobicContact CD2-CD1 4.21Å; Y510-L514 HydrophobicContact CD2-CD2 3.81Å; Y510-L514 HydrophobicContact CE2-CD1 4.16Å; Y510-A521 CarbonylContact O-C 3.6Å; Y510-A521 VanDerWaalsContact O-CA 3.27Å; Y510-A521 WeakPolarHBondContact O-CA 3.49Å; Y510-G522 PolarHBondContact N-O 2.82Å; Y510-G522 PolarHBondContact O-N 2.62Å; Y510-E524 HydrophobicContact CE1-CB 4.47Å; Y510-N541 WeakPolarHBondContact CE2-OD1 3.26Å; Y510-N541 PolarHBondContact OH-OD1 3.33Å; Y510-R667 WeakPolarHBondContact OH-CD 3.36Å
511	G	98.7	Very high	97.5	Very high	25 Å²	25	33.6 Å²	33.6	26%	0.258	21%	0.207	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-163.8	153.5	174.4	0	0	0	0	0	114	Q494 A495 G520	Q494-G511 WeakPolarHBondContact CA-O 3.37Å; A495-G511 PolarHBondContact N-O 3.3Å; A495-G511 PolarHBondContact O-N 3.36Å; G511-G520 CarbonylContact C-O 3.54Å; G511-G520 WeakPolarHBondContact CA-O 3.38Å
512	G	98.4	Very high	97.6	Very high	30 Å²	30	29.2 Å²	29.2	31%	0.309	19%	0.186	S	C	.	.	E	Extended strand (participates in β ladder)	trans	133.5	-151.6	-176.5	0	0	0	0	0	112.1	L493 L514 G519 G520	L493-G512 CarbonylContact O-C 3.58Å; L493-G512 WeakPolarHBondContact O-CA 3.42Å; G512-L514 PolarHBondContact O-N 2.97Å; G512-G519 CarbonylContact O-C 3.54Å; G512-G519 WeakPolarHBondContact O-CA 3.34Å; G512-G520 PolarHBondContact N-O 3.32Å; G512-G520 PolarHBondContact O-N 2.82Å
513	Y	98.2	Very high	97.8	Very high	40 Å²	40	30.2 Å²	30.2	16%	0.157	19%	0.192	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-82.3	108.8	166.7	-54.6	-42.8	0	0	0	108.8	V490 N492 L493 R546 M555 F557	V490-Y513 HydrophobicContact CG1-CD2 4.37Å; N492-Y513 WeakPolarHBondContact CA-O 3.15Å; N492-Y513 WeakPolarHBondContact CB-O 3.49Å; L493-Y513 CarbonylContact C-O 3.54Å; L493-Y513 HydrophobicContact CB-CD2 3.94Å; L493-Y513 PolarHBondContact N-O 3.02Å; L493-Y513 PolarHBondContact O-N 3.29Å; Y513-R546 HydrophobicContact CD1-CG 4.47Å; Y513-M555 HydrophobicContact CD2-CE 4.42Å; Y513-M555 HydrophobicContact CD2-SD 4.36Å; Y513-M555 HydrophobicContact CE2-CE 3.56Å; Y513-M555 HydrophobicContact CE2-SD 3.76Å; Y513-M555 PolarHBondContact OH-O 3.05Å; Y513-F557 HydrophobicContact CD1-CE1 4.12Å; Y513-F557 AromaticContact CD1-CZ 3.84Å; Y513-F557 HydrophobicContact CD1-CZ 3.84Å; Y513-F557 HydrophobicContact CE1-CE1 4.04Å; Y513-F557 HydrophobicContact CE1-CE2 4.12Å; Y513-F557 AromaticContact CE1-CZ 3.54Å; Y513-F557 HydrophobicContact CE1-CZ 3.54Å
514	L	98.1	Very high	98	Very high	5 Å²	5	23.8 Å²	23.8	3%	0.026	16%	0.158	C	C	.	.			trans	-85.1	-34.6	-169.6	-55.9	179.8	0	0	0	111.9	Q494 Y510 G512 F518 V543 L665	Q494-L514 HydrophobicContact CB-CD2 4.14Å; Q494-L514 VanDerWaalsContact OE1-CA 3.3Å; Q494-L514 PolarHBondContact OE1-O 2.94Å; Y510-L514 HydrophobicContact CD2-CD1 4.21Å; Y510-L514 HydrophobicContact CD2-CD2 3.81Å; Y510-L514 HydrophobicContact CE2-CD1 4.16Å; G512-L514 PolarHBondContact O-N 2.97Å; L514-F518 PolarHBondContact N-O 3.3Å; L514-V543 HydrophobicContact CD1-CG1 3.99Å; L514-L665 HydrophobicContact CD1-CD2 3.92Å
515	E	96.7	Very high	98.2	Very high	30 Å²	30	27 Å²	27	14%	0.14	18%	0.177	C	C	.	.	S	Bend	trans	-151.4	176.3	177	61.4	178.4	177.3	0	0	109.7	R477 N491 M517 F518 R546 L665 G666	R477-E515 IonicContact CZ-OE1 3.99Å; R477-E515 VanDerWaalsContact CZ-OE1 3.28Å; R477-E515 IonicContact CZ-OE2 3.4Å; R477-E515 IonicContact NH1-OE1 3.97Å; R477-E515 PolarHBondContact NH1-OE1 3.37Å; R477-E515 IonicContact NH1-OE2 3.67Å; R477-E515 VanDerWaalsContact NH2-CD 3.34Å; R477-E515 IonicContact NH2-OE1 2.63Å; R477-E515 PolarHBondContact NH2-OE1 3.07Å; R477-E515 IonicContact NH2-OE2 3.7Å; R477-E515 PolarHBondContact NH2-OE2 2.82Å; N491-E515 CarbonylContact O-C 3.6Å; E515-M517 PolarHBondContact O-N 3.09Å; E515-M517 VanDerWaalsContact O-N 3.1Å; E515-F518 HydrophobicContact CG-CB 4Å; E515-F518 PolarHBondContact N-O 2.82Å; E515-F518 VanDerWaalsContact N-O 3.09Å; E515-F518 PolarHBondContact O-N 3.44Å; E515-F518 VanDerWaalsContact O-O 3.09Å; E515-F518 VanDerWaalsContact OE1-CD2 3.25Å; E515-F518 WeakPolarHBondContact OE1-CD2 3.34Å; E515-R546 VanDerWaalsContact O-CD 3.3Å; E515-R546 WeakPolarHBondContact O-CD 3.43Å; E515-R546 PolarHBondContact O-NH1 2.9Å; E515-L665 HydrophobicContact CG-CD1 4.46Å; E515-G666 VanDerWaalsContact OE2-CA 3.23Å; E515-G666 WeakPolarHBondContact OE2-CA 3.49Å; E515-G666 PolarHBondContact OE2-N 2.9Å; E515-G666 VanDerWaalsContact OE2-N 3.08Å
516	T	95.2	Very high	98.2	Very high	25 Å²	25	23 Å²	23	15%	0.153	16%	0.16	C	C	.	.	S	Bend	trans	-51.4	-37.3	178.8	-53.7	0	0	0	0	112.8	Y483 Y489 N491 R546 M554	Y483-T516 HydrophobicContact CD1-CG2 3.61Å; Y483-T516 HydrophobicContact CE1-CG2 4.2Å; Y483-T516 WeakPolarHBondContact CE1-O 3.44Å; Y483-T516 HydrophobicContact CG-CG2 4Å; Y489-T516 HydrophobicContact CD2-CG2 4.37Å; Y489-T516 HydrophobicContact CE2-CG2 4Å; N491-T516 PolarHBondContact O-N 3.46Å; N491-T516 VanDerWaalsContact O-N 3.12Å; N491-T516 PolarHBondContact OD1-OG1 2.86Å; T516-R546 WeakPolarHBondContact O-CD 3.22Å; T516-R546 PolarHBondContact O-NE 3.19Å; T516-R546 PolarHBondContact O-NH1 3.3Å; T516-M554 HydrophobicContact CG2-CE 3.69Å
517	M	96.8	Very high	98.2	Very high	16 Å²	16	26.5 Å²	26.5	8%	0.079	17%	0.174	C	C	.	.	S	Bend	trans	-100.2	-21	-171.5	-62.4	-176	172.6	0	0	115.2	V476 R477 V480 Y483 E515 Q545 R546	V476-M517 VanDerWaalsContact O-SD 3.33Å; R477-M517 PolarHBondContact NH1-SD 2.77Å; V480-M517 HydrophobicContact CB-CE 3.51Å; V480-M517 HydrophobicContact CG2-CE 3.96Å; Y483-M517 HydrophobicContact CD2-CE 3.94Å; Y483-M517 HydrophobicContact CD2-CG 3.83Å; Y483-M517 HydrophobicContact CE2-CB 4.17Å; Y483-M517 HydrophobicContact CE2-CE 4.42Å; Y483-M517 HydrophobicContact CE2-CG 3.6Å; Y483-M517 HydrophobicContact CG-CG 4.49Å; E515-M517 PolarHBondContact O-N 3.09Å; E515-M517 VanDerWaalsContact O-N 3.1Å; M517-Q545 CarbonylContact O-C 3.59Å; M517-Q545 WeakPolarHBondContact O-CA 3.31Å; M517-R546 PolarHBondContact O-N 2.68Å
518	F	98.2	Very high	98.2	Very high	0 Å²	0	26.9 Å²	26.9	0%	0	17%	0.173	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-139.1	142.7	-172.8	-76.4	-90.7	0	0	0	112	V476 L514 E515 V543 K544 Q545 Y560 V562 L589 L665	V476-F518 HydrophobicContact CB-CE2 4.07Å; V476-F518 HydrophobicContact CB-CZ 3.86Å; V476-F518 HydrophobicContact CG1-CZ 3.92Å; V476-F518 WeakPolarHBondContact O-CE2 3.28Å; L514-F518 PolarHBondContact N-O 3.3Å; E515-F518 HydrophobicContact CG-CB 4Å; E515-F518 PolarHBondContact N-O 2.82Å; E515-F518 VanDerWaalsContact N-O 3.09Å; E515-F518 PolarHBondContact O-N 3.44Å; E515-F518 VanDerWaalsContact O-O 3.09Å; E515-F518 VanDerWaalsContact OE1-CD2 3.25Å; E515-F518 WeakPolarHBondContact OE1-CD2 3.34Å; F518-V543 HydrophobicContact CB-CB 4.37Å; F518-V543 HydrophobicContact CD1-CB 3.97Å; F518-V543 HydrophobicContact CD1-CG2 3.6Å; F518-V543 HydrophobicContact CE1-CG2 4.13Å; F518-V543 HydrophobicContact CG-CG2 4.34Å; F518-K544 WeakPolarHBondContact CA-O 3.47Å; F518-K544 WeakPolarHBondContact CD1-O 3.22Å; F518-Q545 HydrophobicContact CD1-CB 4.16Å; F518-Q545 HydrophobicContact CE1-CB 3.68Å; F518-Q545 HydrophobicContact CE1-CG 4.31Å; F518-Q545 HydrophobicContact CE2-CG 4.5Å; F518-Q545 HydrophobicContact CZ-CB 3.98Å; F518-Q545 HydrophobicContact CZ-CG 4.14Å; F518-Y560 HydrophobicContact CE1-CD1 4.22Å; F518-Y560 HydrophobicContact CE1-CE1 4.29Å; F518-Y560 HydrophobicContact CZ-CD1 4.48Å; F518-Y560 HydrophobicContact CZ-CE1 4.4Å; F518-V562 HydrophobicContact CE1-CG1 4.46Å; F518-L589 HydrophobicContact CD1-CD2 4.24Å; F518-L589 HydrophobicContact CD2-CD1 4.22Å; F518-L589 HydrophobicContact CD2-CD2 4.23Å; F518-L589 HydrophobicContact CE1-CD2 4.08Å; F518-L589 HydrophobicContact CE2-CD1 3.89Å; F518-L589 HydrophobicContact CE2-CD2 4.07Å; F518-L589 HydrophobicContact CE2-CG 4.47Å; F518-L589 HydrophobicContact CG-CD2 4.33Å; F518-L589 HydrophobicContact CZ-CD1 4.44Å; F518-L589 HydrophobicContact CZ-CD2 3.99Å; F518-L665 HydrophobicContact CB-CD1 3.85Å; F518-L665 HydrophobicContact CG-CD1 4.43Å
519	G	98.4	Very high	98.1	Very high	0 Å²	0	27.8 Å²	27.8	0%	0	18%	0.179	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-131.7	161.6	166.4	0	0	0	0	0	110.3	G512 V543 K544	G512-G519 CarbonylContact O-C 3.54Å; G512-G519 WeakPolarHBondContact O-CA 3.34Å; G519-V543 CarbonylContact O-C 3.54Å; G519-V543 VanDerWaalsContact O-CA 3.3Å; G519-V543 WeakPolarHBondContact O-CA 3.25Å; G519-K544 PolarHBondContact N-O 3.48Å; G519-K544 PolarHBondContact O-N 2.69Å
520	G	98.4	Very high	98	Very high	21 Å²	21	25 Å²	25	22%	0.216	16%	0.161	C	C	.	.	E	Extended strand (participates in β ladder)	trans	161.8	-153.4	-174.9	0	0	0	0	0	111.9	G511 G512 Y542	G511-G520 CarbonylContact C-O 3.54Å; G511-G520 WeakPolarHBondContact CA-O 3.38Å; G512-G520 PolarHBondContact N-O 3.32Å; G512-G520 PolarHBondContact O-N 2.82Å; G520-Y542 VanDerWaalsContact CA-O 3.31Å; G520-Y542 WeakPolarHBondContact CA-O 3.46Å
521	A	98.8	Very high	97.8	Very high	56 Å²	56	27.5 Å²	27.5	46%	0.463	18%	0.175	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-138.5	149.5	174.9	0	0	0	0	0	110.6	Y510 N541 Y542	Y510-A521 CarbonylContact O-C 3.6Å; Y510-A521 VanDerWaalsContact O-CA 3.27Å; Y510-A521 WeakPolarHBondContact O-CA 3.49Å; A521-N541 WeakPolarHBondContact O-CA 3.44Å; A521-Y542 PolarHBondContact N-O 2.87Å; A521-Y542 PolarHBondContact O-N 3.28Å
522	G	98.7	Very high	97.6	Very high	10 Å²	10	27.5 Å²	27.5	10%	0.103	17%	0.171	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-158.5	169.6	-180	0	0	0	0	0	112.8	V509 Y510 A540	V509-G522 WeakPolarHBondContact CA-O 3.23Å; Y510-G522 PolarHBondContact N-O 2.82Å; Y510-G522 PolarHBondContact O-N 2.62Å; G522-A540 CarbonylContact C-O 3.49Å; G522-A540 WeakPolarHBondContact CA-O 3.24Å
523	A	98.8	Very high	97.4	Very high	41 Å²	41	29.1 Å²	29.1	34%	0.339	17%	0.172	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-136.6	150.7	173.3	0	0	0	0	0	109.9	Q508 V509 D539 A540	Q508-A523 CarbonylContact O-C 3.44Å; Q508-A523 WeakPolarHBondContact O-CA 3.45Å; V509-A523 HydrophobicContact CG2-CB 4.11Å; A523-D539 WeakPolarHBondContact O-CA 3.3Å; A523-A540 PolarHBondContact N-O 3.26Å; A523-A540 PolarHBondContact O-N 2.79Å
524	E	98.8	Very high	97.4	Very high	4 Å²	4	31.8 Å²	31.8	2%	0.019	18%	0.182	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-135	140.4	173.4	-171.4	-173.1	-140.9	0	0	109.7	G507 Q508 Y510 L538 D539 R667 L671	G507-E524 CarbonylContact C-O 3.59Å; G507-E524 WeakPolarHBondContact CA-O 3.29Å; Q508-E524 HydrophobicContact CG-CB 3.76Å; Q508-E524 PolarHBondContact N-O 2.79Å; Q508-E524 PolarHBondContact NE2-OE2 3.31Å; Q508-E524 PolarHBondContact O-N 2.88Å; Y510-E524 HydrophobicContact CE1-CB 4.47Å; E524-L538 CarbonylContact C-O 3.6Å; E524-L538 VanDerWaalsContact CA-O 3.25Å; E524-L538 WeakPolarHBondContact CA-O 3.4Å; E524-D539 HydrophobicContact CB-CB 4.17Å; E524-D539 HydrophobicContact CG-CB 4Å; E524-R667 IonicContact OE1-CZ 2.62Å; E524-R667 IonicContact OE1-NH1 3.44Å; E524-R667 PolarHBondContact OE1-NH1 3.47Å; E524-R667 IonicContact OE1-NH2 2.76Å; E524-R667 PolarHBondContact OE1-NH2 3.18Å; E524-R667 IonicContact OE2-NH1 3.28Å; E524-R667 PolarHBondContact OE2-NH1 2.99Å; E524-L671 HydrophobicContact CB-CD1 3.97Å; E524-L671 HydrophobicContact CG-CD1 3.8Å; E524-L671 HydrophobicContact CG-CG 4.34Å; E524-L671 WeakPolarHBondContact O-CD1 3.17Å; E524-L671 WeakPolarHBondContact OE2-CB 3.23Å; E524-L671 VanDerWaalsContact OE2-CG 3.28Å; E524-L671 WeakPolarHBondContact OE2-CG 3.35Å; E524-L671 PolarHBondContact OE2-N 2.93Å
525	V	98.8	Very high	97.4	Very high	67 Å²	67	31.6 Å²	31.6	41%	0.406	18%	0.182	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-125.4	136.2	169.2	176.3	0	0	0	0	108.6	F505 Y506 G537 L538	F505-V525 HydrophobicContact CD1-CG1 4.28Å; Y506-V525 CarbonylContact O-C 3.59Å; Y506-V525 WeakPolarHBondContact O-CA 3.24Å; V525-G537 CarbonylContact O-C 3.58Å; V525-G537 WeakPolarHBondContact O-CA 3.34Å; V525-L538 PolarHBondContact N-O 3.23Å; V525-L538 PolarHBondContact O-N 3.41Å
526	L	98.7	Very high	97.5	Very high	0 Å²	0	35.1 Å²	35.1	0%	0	20%	0.196	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-124.6	131.4	175.9	179.1	77.6	0	0	0	109.7	F505 Y506 R528 A535 F536 Y570 L671 Y672 T675	F505-L526 CarbonylContact C-O 3.36Å; F505-L526 WeakPolarHBondContact CA-O 3.4Å; Y506-L526 PolarHBondContact N-O 3.01Å; Y506-L526 PolarHBondContact O-N 2.8Å; L526-R528 HydrophobicContact CD2-CB 3.94Å; L526-R528 HydrophobicContact CG-CB 4.12Å; L526-A535 HydrophobicContact CD1-CB 4.27Å; L526-F536 WeakPolarHBondContact CA-O 3.25Å; L526-Y570 HydrophobicContact CD1-CE2 4.11Å; L526-L671 HydrophobicContact CB-CB 3.63Å; L526-L671 HydrophobicContact CB-CD1 3.96Å; L526-L671 HydrophobicContact CB-CG 4.42Å; L526-L671 HydrophobicContact CD2-CB 3.94Å; L526-L671 WeakPolarHBondContact CD2-O 3.24Å; L526-L671 HydrophobicContact CG-CB 4.37Å; L526-Y672 HydrophobicContact CD1-CD2 4.36Å; L526-T675 HydrophobicContact CD2-CG2 4.19Å; L526-T675 VanDerWaalsContact CD2-OG1 3.22Å; L526-T675 WeakPolarHBondContact CD2-OG1 3.48Å
527	Y	98.6	Very high	97.6	Very high	75 Å²	75	34 Å²	34	29%	0.294	19%	0.191	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-104.5	115	162.8	178.9	-128.4	0	0	0	109.9	N503 F505 P529 W534 A535 F536	N503-Y527 WeakPolarHBondContact O-CE2 3.48Å; F505-Y527 HydrophobicContact CD1-CD2 4.15Å; F505-Y527 HydrophobicContact CD1-CG 4.42Å; F505-Y527 AromaticContact CD2-CD2 3.69Å; F505-Y527 HydrophobicContact CD2-CD2 3.69Å; F505-Y527 HydrophobicContact CD2-CE2 4.12Å; F505-Y527 AromaticContact CE1-CD2 3.88Å; F505-Y527 HydrophobicContact CE1-CD2 3.88Å; F505-Y527 AromaticContact CE1-CG 3.92Å; F505-Y527 HydrophobicContact CE1-CG 3.92Å; F505-Y527 AromaticContact CE2-CD2 3.37Å; F505-Y527 HydrophobicContact CE2-CD2 3.37Å; F505-Y527 AromaticContact CE2-CE2 3.63Å; F505-Y527 HydrophobicContact CE2-CE2 3.63Å; F505-Y527 HydrophobicContact CE2-CG 4.15Å; F505-Y527 HydrophobicContact CG-CD2 4.07Å; F505-Y527 HydrophobicContact CZ-CD1 4.5Å; F505-Y527 AromaticContact CZ-CD2 3.48Å; F505-Y527 HydrophobicContact CZ-CD2 3.48Å; F505-Y527 VanDerWaalsContact CZ-CD2 3.48Å; F505-Y527 HydrophobicContact CZ-CE2 4.03Å; F505-Y527 AromaticContact CZ-CG 3.76Å; F505-Y527 HydrophobicContact CZ-CG 3.76Å; Y527-P529 HydrophobicContact CE1-CG 3.99Å; Y527-P529 HydrophobicContact CE2-CG 3.99Å; Y527-W534 HydrophobicContact CD1-CH2 4.25Å; Y527-W534 AromaticContact CD1-CZ3 3.75Å; Y527-W534 HydrophobicContact CD1-CZ3 3.75Å; Y527-W534 AromaticContact CE1-CH2 3.48Å; Y527-W534 HydrophobicContact CE1-CH2 3.48Å; Y527-W534 VanDerWaalsContact CE1-CH2 3.48Å; Y527-W534 AromaticContact CE1-CZ3 3.46Å; Y527-W534 HydrophobicContact CE1-CZ3 3.46Å; Y527-W534 VanDerWaalsContact CE1-CZ3 3.46Å; Y527-A535 CarbonylContact O-C 3.41Å; Y527-A535 VanDerWaalsContact O-CA 3.31Å; Y527-A535 WeakPolarHBondContact O-CA 3.47Å; Y527-A535 WeakPolarHBondContact O-CB 3.46Å; Y527-F536 PolarHBondContact N-O 3.24Å; Y527-F536 PolarHBondContact O-N 3.4Å
528	R	97.5	Very high	97.7	Very high	16 Å²	16	38 Å²	38	6%	0.06	21%	0.211	C	C	.	.			trans	-140.4	95.5	-179.9	-177.9	179	-170.7	162.4	6.2	109.5	G504 L526 A535 Y672 T675 R678	G504-R528 PolarHBondContact O-N 3.46Å; L526-R528 HydrophobicContact CD2-CB 3.94Å; L526-R528 HydrophobicContact CG-CB 4.12Å; R528-A535 HydrophobicContact CB-CB 3.92Å; R528-A535 HydrophobicContact CG-CB 4Å; R528-Y672 PolarHBondContact NH1-O 3.38Å; R528-T675 WeakPolarHBondContact CD-OG1 3.33Å; R528-T675 VanDerWaalsContact CZ-O 3.25Å; R528-T675 PolarHBondContact NH1-O 3.41Å; R528-T675 PolarHBondContact NH1-OG1 3.31Å; R528-R678 PolarHBondContact O-NE 2.99Å; R528-R678 PolarHBondContact O-NH2 3.17Å
529	P	96.7	Very high	97.7	Very high	24 Å²	24	38.3 Å²	38.3	16%	0.156	21%	0.213	C	C	.	.			trans	-62.8	150.5	174.6	-14.3	26.4	0	0	0	111.3	Y527 D531 S532 W534	Y527-P529 HydrophobicContact CE1-CG 3.99Å; Y527-P529 HydrophobicContact CE2-CG 3.99Å; P529-D531 PolarHBondContact O-N 3.34Å; P529-S532 VanDerWaalsContact O-CB 3.3Å; P529-S532 WeakPolarHBondContact O-CB 3.39Å; P529-S532 PolarHBondContact O-N 2.87Å; P529-W534 HydrophobicContact CG-CH2 3.84Å; P529-W534 HydrophobicContact CG-CZ2 4.19Å; P529-W534 HydrophobicContact CG-CZ3 4.17Å
530	L	96.4	Very high	97.8	Very high	31 Å²	31	41.3 Å²	41.3	16%	0.162	24%	0.238	C	C	.	.	T	Hydrogen-bonded Turn	trans	-59.8	133.4	179.6	-178.7	71.5	0	0	0	110.6	A360 R388 V389 E390 S532 R678	A360-L530 HydrophobicContact CB-CD1 3.67Å; R388-L530 HydrophobicContact CB-CD2 4.22Å; V389-L530 WeakPolarHBondContact O-CD2 3.48Å; E390-L530 WeakPolarHBondContact OE1-CB 3.33Å; E390-L530 PolarHBondContact OE1-N 2.9Å; L530-S532 PolarHBondContact O-N 3.5Å; L530-R678 HydrophobicContact CD1-CB 4.46Å
531	D	94.3	Very high	97.8	Very high	61 Å²	61	40.8 Å²	40.8	33%	0.326	23%	0.23	S	C	.	.	T	Hydrogen-bonded Turn	trans	56.2	12.6	178.7	-65.2	-31.9	0	0	0	115.5	R388 P529 R678 V680	R388-D531 IonicContact CZ-OD1 3.21Å; R388-D531 IonicContact NH1-OD1 2.68Å; R388-D531 PolarHBondContact NH1-OD1 2.91Å; R388-D531 IonicContact NH1-OD2 2.85Å; R388-D531 PolarHBondContact NH1-OD2 2.85Å; R388-D531 VanDerWaalsContact NH1-OD2 3.15Å; P529-D531 PolarHBondContact O-N 3.34Å; D531-R678 PolarHBondContact N-O 3.19Å; D531-R678 VanDerWaalsContact OD1-O 3.11Å; D531-V680 WeakPolarHBondContact OD1-CA 3.49Å; D531-V680 VanDerWaalsContact OD1-CB 3.26Å; D531-V680 WeakPolarHBondContact OD1-CB 3.25Å; D531-V680 PolarHBondContact OD1-N 3.46Å
532	S	94.7	Very high	97.8	Very high	26 Å²	26	43.2 Å²	43.2	18%	0.182	23%	0.228	C	C	.	.			trans	-68.2	141.8	172.4	-179.9	0	0	0	0	110.5	P529 L530 W534	P529-S532 VanDerWaalsContact O-CB 3.3Å; P529-S532 WeakPolarHBondContact O-CB 3.39Å; P529-S532 PolarHBondContact O-N 2.87Å; L530-S532 PolarHBondContact O-N 3.5Å; S532-W534 WeakPolarHBondContact CB-O 3.45Å; S532-W534 PolarHBondContact O-N 2.81Å; S532-W534 PolarHBondContact OG-N 3.27Å; S532-W534 VanDerWaalsContact OG-N 3.1Å; S532-W534 PolarHBondContact OG-NE1 2.88Å; S532-W534 PolarHBondContact OG-O 3.27Å
533	N	95.1	Very high	97.8	Very high	63 Å²	63	42.8 Å²	42.8	34%	0.337	22%	0.223	S	C	.	.	S	Bend	trans	-83.9	5.5	173	75.5	-40.6	0	0	0	112.6	W571 T572	N533-W571 CarbonylContact O-C 3.54Å; N533-W571 WeakPolarHBondContact O-CA 3.47Å; N533-T572 WeakPolarHBondContact CA-OG1 3.36Å; N533-T572 WeakPolarHBondContact CB-O 3.25Å; N533-T572 VanDerWaalsContact CB-OG1 3.27Å; N533-T572 WeakPolarHBondContact CB-OG1 3.39Å; N533-T572 PolarHBondContact ND2-O 3.4Å; N533-T572 PolarHBondContact O-N 2.85Å; N533-T572 PolarHBondContact O-OG1 3.4Å
534	W	96.9	Very high	97.8	Very high	97 Å²	97	44.9 Å²	44.9	37%	0.367	23%	0.225	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-140.6	156.7	175.5	57.4	-93.5	0	0	0	113	Y527 P529 S532 F536 Y570	Y527-W534 HydrophobicContact CD1-CH2 4.25Å; Y527-W534 AromaticContact CD1-CZ3 3.75Å; Y527-W534 HydrophobicContact CD1-CZ3 3.75Å; Y527-W534 AromaticContact CE1-CH2 3.48Å; Y527-W534 HydrophobicContact CE1-CH2 3.48Å; Y527-W534 VanDerWaalsContact CE1-CH2 3.48Å; Y527-W534 AromaticContact CE1-CZ3 3.46Å; Y527-W534 HydrophobicContact CE1-CZ3 3.46Å; Y527-W534 VanDerWaalsContact CE1-CZ3 3.46Å; P529-W534 HydrophobicContact CG-CH2 3.84Å; P529-W534 HydrophobicContact CG-CZ2 4.19Å; P529-W534 HydrophobicContact CG-CZ3 4.17Å; S532-W534 WeakPolarHBondContact CB-O 3.45Å; S532-W534 PolarHBondContact O-N 2.81Å; S532-W534 PolarHBondContact OG-N 3.27Å; S532-W534 VanDerWaalsContact OG-N 3.1Å; S532-W534 PolarHBondContact OG-NE1 2.88Å; S532-W534 PolarHBondContact OG-O 3.27Å; W534-F536 HydrophobicContact CD2-CE2 4.45Å; W534-F536 AromaticContact CE3-CD2 3.73Å; W534-F536 HydrophobicContact CE3-CD2 3.73Å; W534-F536 AromaticContact CE3-CE2 3.53Å; W534-F536 HydrophobicContact CE3-CE2 3.53Å; W534-F536 AromaticContact CZ3-CD2 3.82Å; W534-F536 HydrophobicContact CZ3-CD2 3.82Å; W534-F536 AromaticContact CZ3-CE2 3.8Å; W534-F536 HydrophobicContact CZ3-CE2 3.8Å; W534-Y570 CarbonylContact C-O 3.58Å; W534-Y570 WeakPolarHBondContact CA-O 3.31Å; W534-Y570 WeakPolarHBondContact CB-O 3.48Å
535	A	98.3	Very high	97.7	Very high	1 Å²	1	45.2 Å²	45.2	1%	0.008	23%	0.226	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-150.7	161	173.4	0	0	0	0	0	110.9	L526 Y527 R528 Y570 Y672	L526-A535 HydrophobicContact CD1-CB 4.27Å; Y527-A535 CarbonylContact O-C 3.41Å; Y527-A535 VanDerWaalsContact O-CA 3.31Å; Y527-A535 WeakPolarHBondContact O-CA 3.47Å; Y527-A535 WeakPolarHBondContact O-CB 3.46Å; R528-A535 HydrophobicContact CB-CB 3.92Å; R528-A535 HydrophobicContact CG-CB 4Å; A535-Y570 HydrophobicContact CB-CD2 4.04Å; A535-Y570 HydrophobicContact CB-CG 4.42Å; A535-Y570 PolarHBondContact N-O 3.39Å; A535-Y570 PolarHBondContact O-N 2.84Å; A535-Y672 HydrophobicContact CB-CD2 4.28Å; A535-Y672 HydrophobicContact CB-CE2 4.09Å
536	F	98.7	Very high	97.7	Very high	103 Å²	103	42 Å²	42	45%	0.452	21%	0.207	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-130.3	126.7	174.8	-67.6	-84.6	0	0	0	110.5	L526 Y527 W534 T568 A569	L526-F536 WeakPolarHBondContact CA-O 3.25Å; Y527-F536 PolarHBondContact N-O 3.24Å; Y527-F536 PolarHBondContact O-N 3.4Å; W534-F536 HydrophobicContact CD2-CE2 4.45Å; W534-F536 AromaticContact CE3-CD2 3.73Å; W534-F536 HydrophobicContact CE3-CD2 3.73Å; W534-F536 AromaticContact CE3-CE2 3.53Å; W534-F536 HydrophobicContact CE3-CE2 3.53Å; W534-F536 AromaticContact CZ3-CD2 3.82Å; W534-F536 HydrophobicContact CZ3-CD2 3.82Å; W534-F536 AromaticContact CZ3-CE2 3.8Å; W534-F536 HydrophobicContact CZ3-CE2 3.8Å; F536-T568 CarbonylContact C-O 3.55Å; F536-T568 WeakPolarHBondContact CA-O 3.49Å; F536-A569 HydrophobicContact CD1-CB 4.04Å; F536-A569 HydrophobicContact CE1-CB 3.81Å
537	G	98.7	Very high	97.5	Very high	3 Å²	3	42.1 Å²	42.1	3%	0.031	21%	0.208	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-116.4	145.7	175.5	0	0	0	0	0	111.4	V525 L567 T568	V525-G537 CarbonylContact O-C 3.58Å; V525-G537 WeakPolarHBondContact O-CA 3.34Å; G537-L567 CarbonylContact O-C 3.56Å; G537-L567 WeakPolarHBondContact O-CA 3.33Å; G537-L567 WeakPolarHBondContact O-CD1 3.43Å; G537-T568 PolarHBondContact N-O 2.74Å; G537-T568 PolarHBondContact O-N 3.3Å
538	L	98.8	Very high	97.2	Very high	99 Å²	99	41 Å²	41	52%	0.518	20%	0.203	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-130.3	124.4	170.3	176	65.5	0	0	0	108.5	E524 V525 H566 L567	E524-L538 CarbonylContact C-O 3.6Å; E524-L538 VanDerWaalsContact CA-O 3.25Å; E524-L538 WeakPolarHBondContact CA-O 3.4Å; V525-L538 PolarHBondContact N-O 3.23Å; V525-L538 PolarHBondContact O-N 3.41Å; L538-H566 WeakPolarHBondContact CA-O 3.22Å; L538-L567 HydrophobicContact CD1-CB 4.44Å
539	D	98.6	Very high	96.8	Very high	7 Å²	7	48.9 Å²	48.9	4%	0.037	23%	0.233	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-120.4	145.8	170.6	80.5	-77.2	0	0	0	111.7	A523 E524 N541 G565 H566 R667	A523-D539 WeakPolarHBondContact O-CA 3.3Å; E524-D539 HydrophobicContact CB-CB 4.17Å; E524-D539 HydrophobicContact CG-CB 4Å; D539-N541 PolarHBondContact OD2-ND2 2.85Å; D539-G565 CarbonylContact O-C 3.6Å; D539-G565 WeakPolarHBondContact O-CA 3.41Å; D539-H566 PolarHBondContact N-O 2.56Å; D539-H566 PolarHBondContact O-N 2.79Å; D539-H566 WeakPolarHBondContact OD1-CB 3.32Å; D539-H566 PolarHBondContact OD1-N 2.85Å; D539-H566 IonicContact OD1-ND1 2.94Å; D539-R667 IonicContact OD1-NH2 2.72Å; D539-R667 IonicContact OD2-CZ 3.02Å
540	A	98.8	Very high	96.6	Very high	62 Å²	62	49.5 Å²	49.5	51%	0.512	24%	0.238	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-143.9	129.8	176.8	0	0	0	0	0	110.4	G522 A523	G522-A540 CarbonylContact C-O 3.49Å; G522-A540 WeakPolarHBondContact CA-O 3.24Å; A523-A540 PolarHBondContact N-O 3.26Å; A523-A540 PolarHBondContact O-N 2.79Å
541	N	98.8	Very high	96.2	Very high	11 Å²	11	50 Å²	50	6%	0.059	25%	0.246	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-138.2	148.4	-170.4	-47	-89.3	0	0	0	111.2	Y510 A521 D539 V543 K563 T564 L665	Y510-N541 WeakPolarHBondContact CE2-OD1 3.26Å; Y510-N541 PolarHBondContact OH-OD1 3.33Å; A521-N541 WeakPolarHBondContact O-CA 3.44Å; D539-N541 PolarHBondContact OD2-ND2 2.85Å; N541-V543 HydrophobicContact CB-CG1 4.16Å; N541-K563 CarbonylContact O-C 3.59Å; N541-K563 VanDerWaalsContact O-CA 3.3Å; N541-K563 WeakPolarHBondContact O-CA 3.43Å; N541-T564 WeakPolarHBondContact CA-O 3.24Å; N541-T564 HydrophobicContact CB-CG2 3.86Å; N541-T564 VanDerWaalsContact CB-O 3.31Å; N541-T564 WeakPolarHBondContact CB-O 3.41Å; N541-T564 PolarHBondContact N-O 2.99Å; N541-T564 PolarHBondContact ND2-O 2.74Å; N541-T564 PolarHBondContact O-N 2.61Å; N541-L665 HydrophobicContact CB-CD2 4.02Å
542	Y	98.8	Very high	96	Very high	107 Å²	107	54.9 Å²	54.9	42%	0.42	26%	0.264	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-122.8	115.7	162.1	178.7	-103.7	0	0	0	108.4	G520 A521 S561 K563	G520-Y542 VanDerWaalsContact CA-O 3.31Å; G520-Y542 WeakPolarHBondContact CA-O 3.46Å; A521-Y542 PolarHBondContact N-O 2.87Å; A521-Y542 PolarHBondContact O-N 3.28Å; Y542-S561 WeakPolarHBondContact OH-CB 3.29Å; Y542-S561 PolarHBondContact OH-OG 3.02Å; Y542-K563 HydrophobicContact CD2-CG 3.89Å
543	V	98.7	Very high	96	Very high	0 Å²	0	55.1 Å²	55.1	0%	0	26%	0.263	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-128.1	152.2	-172.3	-61.5	0	0	0	0	111.8	L514 F518 G519 N541 S561 V562 T564 L589 L665	L514-V543 HydrophobicContact CD1-CG1 3.99Å; F518-V543 HydrophobicContact CB-CB 4.37Å; F518-V543 HydrophobicContact CD1-CB 3.97Å; F518-V543 HydrophobicContact CD1-CG2 3.6Å; F518-V543 HydrophobicContact CE1-CG2 4.13Å; F518-V543 HydrophobicContact CG-CG2 4.34Å; G519-V543 CarbonylContact O-C 3.54Å; G519-V543 VanDerWaalsContact O-CA 3.3Å; G519-V543 WeakPolarHBondContact O-CA 3.25Å; N541-V543 HydrophobicContact CB-CG1 4.16Å; V543-S561 CarbonylContact O-C 3.57Å; V543-S561 VanDerWaalsContact O-CA 3.25Å; V543-S561 WeakPolarHBondContact O-CA 3.32Å; V543-V562 HydrophobicContact CG2-CG1 3.62Å; V543-V562 PolarHBondContact N-O 2.88Å; V543-V562 PolarHBondContact O-N 2.86Å; V543-T564 HydrophobicContact CG2-CG2 4.09Å; V543-L589 HydrophobicContact CG2-CD2 3.95Å; V543-L665 HydrophobicContact CG1-CD1 4.13Å; V543-L665 HydrophobicContact CG1-CD2 3.82Å
544	K	98.5	Very high	95.9	Very high	86 Å²	86	52.1 Å²	52.1	37%	0.374	25%	0.247	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-119.1	139.2	172.9	-64.7	-168.3	174.2	-171.7	0	109.1	F518 G519 R546 F557 Y560	F518-K544 WeakPolarHBondContact CA-O 3.47Å; F518-K544 WeakPolarHBondContact CD1-O 3.22Å; G519-K544 PolarHBondContact N-O 3.48Å; G519-K544 PolarHBondContact O-N 2.69Å; K544-R546 PolarHBondContact O-N 2.82Å; K544-F557 HydrophobicContact CB-CB 4.02Å; K544-F557 HydrophobicContact CB-CD1 3.54Å; K544-F557 HydrophobicContact CB-CD2 4.49Å; K544-F557 HydrophobicContact CB-CE1 4.08Å; K544-F557 HydrophobicContact CB-CG 3.77Å; K544-F557 HydrophobicContact CD-CB 4.23Å; K544-F557 HydrophobicContact CD-CD2 4.35Å; K544-F557 HydrophobicContact CD-CG 4.21Å; K544-Y560 WeakPolarHBondContact CA-O 3.02Å
545	Q	97.9	Very high	95.7	Very high	10 Å²	10	51.1 Å²	51.1	5%	0.047	25%	0.247	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-71.9	130.4	176.8	-174.2	176.4	35.6	0	0	109.3	R475 M517 F518 F557 T558 Y560	R475-Q545 PolarHBondContact O-NE2 3.3Å; M517-Q545 CarbonylContact O-C 3.59Å; M517-Q545 WeakPolarHBondContact O-CA 3.31Å; F518-Q545 HydrophobicContact CD1-CB 4.16Å; F518-Q545 HydrophobicContact CE1-CB 3.68Å; F518-Q545 HydrophobicContact CE1-CG 4.31Å; F518-Q545 HydrophobicContact CE2-CG 4.5Å; F518-Q545 HydrophobicContact CZ-CB 3.98Å; F518-Q545 HydrophobicContact CZ-CG 4.14Å; Q545-F557 WeakPolarHBondContact O-CA 3.22Å; Q545-T558 PolarHBondContact O-N 2.97Å; Q545-T558 PolarHBondContact O-OG1 2.81Å; Q545-Y560 HydrophobicContact CB-CD1 4.05Å; Q545-Y560 PolarHBondContact N-O 2.79Å
546	R	97.2	Very high	95.7	Very high	0 Å²	0	56 Å²	56	0%	0	27%	0.269	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-69.8	157.9	173.9	-64	172.7	64.1	-170.7	-3.7	109.2	Y483 V490 N491 Y513 E515 T516 M517 K544 M554 K556 F557	Y483-R546 WeakPolarHBondContact OH-CB 3.47Å; Y483-R546 PolarHBondContact OH-O 3.16Å; V490-R546 PolarHBondContact O-NH1 2.76Å; V490-R546 PolarHBondContact O-NH2 3.46Å; N491-R546 PolarHBondContact O-NH1 3.24Å; Y513-R546 HydrophobicContact CD1-CG 4.47Å; E515-R546 VanDerWaalsContact O-CD 3.3Å; E515-R546 WeakPolarHBondContact O-CD 3.43Å; E515-R546 PolarHBondContact O-NH1 2.9Å; T516-R546 WeakPolarHBondContact O-CD 3.22Å; T516-R546 PolarHBondContact O-NE 3.19Å; T516-R546 PolarHBondContact O-NH1 3.3Å; M517-R546 PolarHBondContact O-N 2.68Å; K544-R546 PolarHBondContact O-N 2.82Å; R546-M554 PolarHBondContact NE-O 3.27Å; R546-M554 PolarHBondContact NH2-O 2.79Å; R546-K556 WeakPolarHBondContact CA-O 3.48Å; R546-F557 HydrophobicContact CG-CD1 4.13Å; R546-F557 HydrophobicContact CG-CE1 3.91Å
547	D	95.2	Very high	95.6	Very high	3 Å²	3	55.1 Å²	55.1	2%	0.016	27%	0.265	C	S	.	.	P	Polyproline II helix	trans	-90.2	130.6	179.2	-172.4	-25.4	0	0	0	110.5	R549 D553 M554 K556 T558	D547-R549 VanDerWaalsContact CG-NE 3.33Å; D547-R549 WeakPolarHBondContact OD1-CB 3.45Å; D547-R549 VanDerWaalsContact OD1-CG 3.24Å; D547-R549 WeakPolarHBondContact OD1-CG 3.23Å; D547-R549 IonicContact OD1-CZ 3.97Å; D547-R549 PolarHBondContact OD1-N 3Å; D547-R549 IonicContact OD1-NE 2.85Å; D547-R549 PolarHBondContact OD1-NE 3.18Å; D547-R549 IonicContact OD1-NH2 3.79Å; D547-R549 IonicContact OD2-CZ 2.66Å; D547-R549 IonicContact OD2-NE 3.99Å; D547-R549 PolarHBondContact OD2-NE 3.12Å; D547-R549 IonicContact OD2-NH2 2.77Å; D547-R549 PolarHBondContact OD2-NH2 3.18Å; D547-D553 HydrophobicContact CB-CB 4.07Å; D547-D553 WeakPolarHBondContact CB-O 3.3Å; D547-D553 CarbonylContact O-C 3.56Å; D547-M554 WeakPolarHBondContact O-CA 3.47Å; D547-M554 WeakPolarHBondContact O-CG 3.22Å; D547-M554 PolarHBondContact O-N 3.4Å; D547-M554 VanDerWaalsContact O-N 3.11Å; D547-K556 PolarHBondContact N-O 2.89Å; D547-K556 VanDerWaalsContact N-O 3.08Å; D547-T558 HydrophobicContact CB-CG2 4.2Å
548	W	91.7	Very high	95.5	Very high	52 Å²	52	56.3 Å²	56.3	20%	0.197	27%	0.271	C	S	.	.			trans	-92.1	-11.1	-174.8	54.3	85	0	0	0	114.2	H479 E482 Y483 N486 S550 T558	H479-W548 HydrophobicContact CB-CD2 4.25Å; H479-W548 HydrophobicContact CB-CE3 4.24Å; H479-W548 AromaticContact CD2-CE3 3.93Å; H479-W548 AromaticContact CD2-CH2 3.49Å; H479-W548 VanDerWaalsContact CD2-CH2 3.49Å; H479-W548 WeakPolarHBondContact CD2-CH2 3.26Å; H479-W548 AromaticContact CD2-CZ2 3.89Å; H479-W548 AromaticContact CD2-CZ3 3.51Å; H479-W548 AromaticContact CE1-CE2 3.68Å; H479-W548 AromaticContact CE1-CH2 3.59Å; H479-W548 AromaticContact CE1-CZ2 3.24Å; H479-W548 WeakPolarHBondContact CE1-CZ2 3.27Å; H479-W548 AromaticContact CG-CD2 3.95Å; H479-W548 AromaticContact CG-CE2 3.99Å; H479-W548 AromaticContact CG-CE3 3.96Å; H479-W548 AromaticContact ND1-CE2 3.62Å; H479-W548 AromaticContact ND1-CZ2 3.68Å; H479-W548 AromaticContact ND1-NE1 4Å; H479-W548 AromaticContact NE2-CH2 3.2Å; H479-W548 WeakPolarHBondContact NE2-CH2 3.38Å; H479-W548 AromaticContact NE2-CZ2 3.4Å; H479-W548 WeakPolarHBondContact NE2-CZ2 3.49Å; H479-W548 AromaticContact NE2-CZ3 3.76Å; E482-W548 HydrophobicContact CB-CB 4Å; E482-W548 HydrophobicContact CB-CG 3.77Å; Y483-W548 HydrophobicContact CD1-CB 3.97Å; Y483-W548 HydrophobicContact CD2-CB 3.82Å; Y483-W548 HydrophobicContact CE1-CB 3.88Å; Y483-W548 HydrophobicContact CE2-CB 3.68Å; Y483-W548 HydrophobicContact CE2-CE3 4.31Å; Y483-W548 HydrophobicContact CE2-CG 4.5Å; Y483-W548 HydrophobicContact CG-CB 3.97Å; N486-W548 PolarHBondContact ND2-O 2.87Å; W548-S550 PolarHBondContact O-N 3.23Å; W548-S550 VanDerWaalsContact O-N 3.14Å; W548-T558 HydrophobicContact CE3-CG2 4.44Å; W548-T558 HydrophobicContact CH2-CG2 4.37Å; W548-T558 HydrophobicContact CZ3-CG2 3.81Å
549	R	90.7	Very high	95.3	Very high	181 Å²	181	59.8 Å²	59.8	68%	0.683	29%	0.291	S	S	*	.	S	Bend	trans	-61.7	-28.5	-164.5	-72	177.4	-77.8	-163.4	-2.4	114.5	D547 D553	D547-R549 VanDerWaalsContact CG-NE 3.33Å; D547-R549 WeakPolarHBondContact OD1-CB 3.45Å; D547-R549 VanDerWaalsContact OD1-CG 3.24Å; D547-R549 WeakPolarHBondContact OD1-CG 3.23Å; D547-R549 IonicContact OD1-CZ 3.97Å; D547-R549 PolarHBondContact OD1-N 3Å; D547-R549 IonicContact OD1-NE 2.85Å; D547-R549 PolarHBondContact OD1-NE 3.18Å; D547-R549 IonicContact OD1-NH2 3.79Å; D547-R549 IonicContact OD2-CZ 2.66Å; D547-R549 IonicContact OD2-NE 3.99Å; D547-R549 PolarHBondContact OD2-NE 3.12Å; D547-R549 IonicContact OD2-NH2 2.77Å; D547-R549 PolarHBondContact OD2-NH2 3.18Å; R549-D553 HydrophobicContact CB-CB 4.42Å
550	S	90.9	Very high	95.2	Very high	37 Å²	37	61.9 Å²	61.9	26%	0.259	30%	0.298	S	S	.	.	S	Bend	trans	-158.4	160.5	172.9	72.2	0	0	0	0	110.3	N486 W548 K552 D553 M554	N486-S550 VanDerWaalsContact OD1-CA 3.31Å; N486-S550 WeakPolarHBondContact OD1-CA 3.44Å; W548-S550 PolarHBondContact O-N 3.23Å; W548-S550 VanDerWaalsContact O-N 3.14Å; S550-K552 PolarHBondContact O-N 3.22Å; S550-K552 VanDerWaalsContact O-N 3.11Å; S550-K552 PolarHBondContact OG-N 3.14Å; S550-D553 CarbonylContact O-C 3.47Å; S550-D553 WeakPolarHBondContact O-CA 3.42Å; S550-D553 PolarHBondContact O-N 2.95Å; S550-D553 WeakPolarHBondContact OG-CB 3.03Å; S550-D553 PolarHBondContact OG-N 3.45Å; S550-D553 PolarHBondContact OG-OD2 3.43Å; S550-M554 WeakPolarHBondContact O-CG 3.39Å; S550-M554 PolarHBondContact O-N 3.45Å
551	A	88.3	Confident	95.2	Very high	40 Å²	40	61.3 Å²	61.3	33%	0.331	29%	0.29	S	S	.	.	T	Hydrogen-bonded Turn	trans	-50.7	-36.6	172.6	0	0	0	0	0	113.3	N486 V488	N486-A551 PolarHBondContact OD1-N 2.91Å; V488-A551 WeakPolarHBondContact O-CB 3.23Å
552	K	91.4	Very high	95.2	Very high	164 Å²	164	61.3 Å²	61.3	71%	0.713	29%	0.291	S	S	*	.	T	Hydrogen-bonded Turn	trans	-72.6	-38.5	175.9	-176.4	177.8	179.1	-179.9	0	111.7	S550 M554 M555	S550-K552 PolarHBondContact O-N 3.22Å; S550-K552 VanDerWaalsContact O-N 3.11Å; S550-K552 PolarHBondContact OG-N 3.14Å; K552-M554 VanDerWaalsContact C-N 3.32Å; K552-M555 WeakPolarHBondContact O-CB 3.08Å; K552-M555 PolarHBondContact O-N 3.26Å
553	D	93	Very high	95.2	Very high	32 Å²	32	63.2 Å²	63.2	17%	0.171	30%	0.301	C	S	.	.	G	3₁₀ helix	trans	-71.7	-26.2	177.2	-63.8	-45.2	0	0	0	112	D547 R549 S550 M555 K556	D547-D553 HydrophobicContact CB-CB 4.07Å; D547-D553 WeakPolarHBondContact CB-O 3.3Å; D547-D553 CarbonylContact O-C 3.56Å; R549-D553 HydrophobicContact CB-CB 4.42Å; S550-D553 CarbonylContact O-C 3.47Å; S550-D553 WeakPolarHBondContact O-CA 3.42Å; S550-D553 PolarHBondContact O-N 2.95Å; S550-D553 WeakPolarHBondContact OG-CB 3.03Å; S550-D553 PolarHBondContact OG-N 3.45Å; S550-D553 PolarHBondContact OG-OD2 3.43Å; D553-M555 PolarHBondContact O-N 2.66Å; D553-K556 WeakPolarHBondContact O-CA 3.44Å; D553-K556 VanDerWaalsContact O-CB 3.26Å; D553-K556 WeakPolarHBondContact O-CB 3.3Å; D553-K556 PolarHBondContact O-N 3.5Å; D553-K556 WeakPolarHBondContact OD1-CE 3.5Å; D553-K556 IonicContact OD1-NZ 3.99Å; D553-K556 PolarHBondContact OD1-NZ 3.14Å
554	M	93.1	Very high	95.2	Very high	0 Å²	0	63.4 Å²	63.4	0%	0	30%	0.302	C	S	.	.	G	3₁₀ helix	trans	-58.8	-11.1	171.5	-70.2	178.9	64	0	0	114.8	Y483 N486 Y489 T516 R546 D547 S550 K552	Y483-M554 HydrophobicContact CD1-CE 3.6Å; Y483-M554 HydrophobicContact CD1-CG 4.2Å; Y483-M554 HydrophobicContact CD1-SD 3.91Å; Y483-M554 HydrophobicContact CE1-CE 3.9Å; Y483-M554 HydrophobicContact CE1-CG 4.03Å; Y483-M554 HydrophobicContact CE1-SD 4.32Å; N486-M554 HydrophobicContact CB-SD 4.28Å; Y489-M554 WeakPolarHBondContact CB-SD 3.27Å; Y489-M554 HydrophobicContact CD1-CE 4.48Å; Y489-M554 HydrophobicContact CD1-SD 4.45Å; Y489-M554 HydrophobicContact CD2-CE 3.5Å; Y489-M554 HydrophobicContact CD2-SD 4.42Å; Y489-M554 HydrophobicContact CE2-CE 4.33Å; Y489-M554 HydrophobicContact CG-CE 3.6Å; Y489-M554 HydrophobicContact CG-SD 3.9Å; T516-M554 HydrophobicContact CG2-CE 3.69Å; R546-M554 PolarHBondContact NE-O 3.27Å; R546-M554 PolarHBondContact NH2-O 2.79Å; D547-M554 WeakPolarHBondContact O-CA 3.47Å; D547-M554 WeakPolarHBondContact O-CG 3.22Å; D547-M554 PolarHBondContact O-N 3.4Å; D547-M554 VanDerWaalsContact O-N 3.11Å; S550-M554 WeakPolarHBondContact O-CG 3.39Å; S550-M554 PolarHBondContact O-N 3.45Å; K552-M554 VanDerWaalsContact C-N 3.32Å
555	M	94.3	Very high	95.2	Very high	75 Å²	75	60 Å²	60	37%	0.369	29%	0.292	S	S	.	.	G	3₁₀ helix	trans	-89.9	-0.8	170.4	-56.4	-61.5	-74.9	0	0	113	V490 Y513 K552 D553	V490-M555 HydrophobicContact CB-SD 3.88Å; V490-M555 HydrophobicContact CG1-SD 4.49Å; V490-M555 HydrophobicContact CG2-CE 4.27Å; V490-M555 HydrophobicContact CG2-SD 3.66Å; Y513-M555 HydrophobicContact CD2-CE 4.42Å; Y513-M555 HydrophobicContact CD2-SD 4.36Å; Y513-M555 HydrophobicContact CE2-CE 3.56Å; Y513-M555 HydrophobicContact CE2-SD 3.76Å; Y513-M555 PolarHBondContact OH-O 3.05Å; K552-M555 WeakPolarHBondContact O-CB 3.08Å; K552-M555 PolarHBondContact O-N 3.26Å; D553-M555 PolarHBondContact O-N 2.66Å
556	K	96.6	Very high	95.2	Very high	105 Å²	105	59.8 Å²	59.8	46%	0.457	29%	0.291	S	S	.	.	S	Bend	trans	-110.8	165.3	175.5	-55.8	174.7	-173.7	162.3	0	109.6	R546 D547 D553	R546-K556 WeakPolarHBondContact CA-O 3.48Å; D547-K556 PolarHBondContact N-O 2.89Å; D547-K556 VanDerWaalsContact N-O 3.08Å; D553-K556 WeakPolarHBondContact O-CA 3.44Å; D553-K556 VanDerWaalsContact O-CB 3.26Å; D553-K556 WeakPolarHBondContact O-CB 3.3Å; D553-K556 PolarHBondContact O-N 3.5Å; D553-K556 WeakPolarHBondContact OD1-CE 3.5Å; D553-K556 IonicContact OD1-NZ 3.99Å; D553-K556 PolarHBondContact OD1-NZ 3.14Å
557	F	97.4	Very high	95.3	Very high	83 Å²	83	64 Å²	64	36%	0.364	31%	0.313	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-107.4	149.3	172.4	-62.9	-65.9	0	0	0	110.3	Y513 K544 Q545 R546	Y513-F557 HydrophobicContact CD1-CE1 4.12Å; Y513-F557 AromaticContact CD1-CZ 3.84Å; Y513-F557 HydrophobicContact CD1-CZ 3.84Å; Y513-F557 HydrophobicContact CE1-CE1 4.04Å; Y513-F557 HydrophobicContact CE1-CE2 4.12Å; Y513-F557 AromaticContact CE1-CZ 3.54Å; Y513-F557 HydrophobicContact CE1-CZ 3.54Å; K544-F557 HydrophobicContact CB-CB 4.02Å; K544-F557 HydrophobicContact CB-CD1 3.54Å; K544-F557 HydrophobicContact CB-CD2 4.49Å; K544-F557 HydrophobicContact CB-CE1 4.08Å; K544-F557 HydrophobicContact CB-CG 3.77Å; K544-F557 HydrophobicContact CD-CB 4.23Å; K544-F557 HydrophobicContact CD-CD2 4.35Å; K544-F557 HydrophobicContact CD-CG 4.21Å; Q545-F557 WeakPolarHBondContact O-CA 3.22Å; R546-F557 HydrophobicContact CG-CD1 4.13Å; R546-F557 HydrophobicContact CG-CE1 3.91Å
558	T	96	Very high	95.5	Very high	28 Å²	28	64.2 Å²	64.2	17%	0.172	32%	0.315	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-75.9	177.7	162.5	71.9	0	0	0	0	110.1	Q545 D547 W548 Y560	Q545-T558 PolarHBondContact O-N 2.97Å; Q545-T558 PolarHBondContact O-OG1 2.81Å; D547-T558 HydrophobicContact CB-CG2 4.2Å; W548-T558 HydrophobicContact CE3-CG2 4.44Å; W548-T558 HydrophobicContact CH2-CG2 4.37Å; W548-T558 HydrophobicContact CZ3-CG2 3.81Å; T558-Y560 PolarHBondContact O-N 2.72Å; T558-Y560 PolarHBondContact OG1-N 3.09Å
559	D	95.4	Very high	95.8	Very high	173 Å²	173	63.4 Å²	63.4	93%	0.925	32%	0.319	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-74.6	-8.4	174.3	-64.8	-33.4	0	0	0	113.1	S561	D559-S561 PolarHBondContact O-N 3.22Å
560	Y	97.5	Very high	96.2	Very high	51 Å²	51	55.4 Å²	55.4	20%	0.2	29%	0.289	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-77	124.9	179.2	-171.9	-104.5	0	0	0	111.6	P474 V476 F518 K544 Q545 T558 V562 L589	P474-Y560 HydrophobicContact CB-CD2 4.03Å; P474-Y560 HydrophobicContact CB-CE1 4.33Å; P474-Y560 HydrophobicContact CB-CE2 3.35Å; P474-Y560 HydrophobicContact CG-CD2 4.46Å; P474-Y560 HydrophobicContact CG-CE2 3.51Å; V476-Y560 HydrophobicContact CG1-CD1 4.49Å; V476-Y560 HydrophobicContact CG1-CE1 3.7Å; F518-Y560 HydrophobicContact CE1-CD1 4.22Å; F518-Y560 HydrophobicContact CE1-CE1 4.29Å; F518-Y560 HydrophobicContact CZ-CD1 4.48Å; F518-Y560 HydrophobicContact CZ-CE1 4.4Å; K544-Y560 WeakPolarHBondContact CA-O 3.02Å; Q545-Y560 HydrophobicContact CB-CD1 4.05Å; Q545-Y560 PolarHBondContact N-O 2.79Å; T558-Y560 PolarHBondContact O-N 2.72Å; T558-Y560 PolarHBondContact OG1-N 3.09Å; Y560-V562 HydrophobicContact CE1-CB 4.12Å; Y560-V562 HydrophobicContact CE1-CG1 4.12Å; Y560-L589 PolarHBondContact OH-O 3.07Å
561	S	98.1	Very high	96.5	Very high	49 Å²	49	59.2 Å²	59.2	34%	0.343	30%	0.298	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-139.7	147	174.9	74.8	0	0	0	0	110.9	Y542 V543 D559	Y542-S561 WeakPolarHBondContact OH-CB 3.29Å; Y542-S561 PolarHBondContact OH-OG 3.02Å; V543-S561 CarbonylContact O-C 3.57Å; V543-S561 VanDerWaalsContact O-CA 3.25Å; V543-S561 WeakPolarHBondContact O-CA 3.32Å; D559-S561 PolarHBondContact O-N 3.22Å
562	V	98.5	Very high	96.9	Very high	11 Å²	11	58.7 Å²	58.7	7%	0.067	29%	0.29	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-149.2	148.3	-174.2	67.9	0	0	0	0	110.9	F518 V543 Y560 L589	F518-V562 HydrophobicContact CE1-CG1 4.46Å; V543-V562 HydrophobicContact CG2-CG1 3.62Å; V543-V562 PolarHBondContact N-O 2.88Å; V543-V562 PolarHBondContact O-N 2.86Å; Y560-V562 HydrophobicContact CE1-CB 4.12Å; Y560-V562 HydrophobicContact CE1-CG1 4.12Å; V562-L589 HydrophobicContact CG1-CD2 4.28Å; V562-L589 WeakPolarHBondContact CG1-O 3.41Å
563	K	98.5	Very high	97.1	Very high	147 Å²	147	51.1 Å²	51.1	64%	0.639	26%	0.258	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-90.6	131	165.4	-64.3	174.6	-176.6	177.3	0	107.7	N541 Y542 Q587	N541-K563 CarbonylContact O-C 3.59Å; N541-K563 VanDerWaalsContact O-CA 3.3Å; N541-K563 WeakPolarHBondContact O-CA 3.43Å; Y542-K563 HydrophobicContact CD2-CG 3.89Å; K563-Q587 PolarHBondContact O-NE2 2.91Å
564	T	98.6	Very high	97.1	Very high	4 Å²	4	54 Å²	54	3%	0.025	28%	0.281	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-141.7	147.5	178.3	178.8	0	0	0	0	109.5	N541 V543 Q587 L589 L665	N541-T564 WeakPolarHBondContact CA-O 3.24Å; N541-T564 HydrophobicContact CB-CG2 3.86Å; N541-T564 VanDerWaalsContact CB-O 3.31Å; N541-T564 WeakPolarHBondContact CB-O 3.41Å; N541-T564 PolarHBondContact N-O 2.99Å; N541-T564 PolarHBondContact ND2-O 2.74Å; N541-T564 PolarHBondContact O-N 2.61Å; V543-T564 HydrophobicContact CG2-CG2 4.09Å; T564-Q587 VanDerWaalsContact CA-O 3.28Å; T564-Q587 WeakPolarHBondContact CA-O 3.41Å; T564-Q587 WeakPolarHBondContact CB-O 3.08Å; T564-Q587 PolarHBondContact OG1-O 3.39Å; T564-L589 HydrophobicContact CG2-CD2 4.08Å; T564-L665 HydrophobicContact CG2-CB 4.19Å; T564-L665 HydrophobicContact CG2-CD2 4.41Å
565	G	98.6	Very high	97.1	Very high	15 Å²	15	62.1 Å²	62.1	16%	0.155	32%	0.316	C	S	.	.	E	Extended strand (participates in β ladder)	trans	168.9	152.7	-176	0	0	0	0	0	112.1	D539 G586 Q587	D539-G565 CarbonylContact O-C 3.6Å; D539-G565 WeakPolarHBondContact O-CA 3.41Å; G565-G586 VanDerWaalsContact O-CA 3.26Å; G565-G586 WeakPolarHBondContact O-CA 3.32Å; G565-Q587 PolarHBondContact N-O 2.7Å; G565-Q587 VanDerWaalsContact N-O 3.1Å; G565-Q587 PolarHBondContact O-N 2.73Å
566	H	98.8	Very high	97	Very high	5 Å²	5	59.3 Å²	59.3	2%	0.023	31%	0.305	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-139.4	142.3	-170.7	-53	80.5	0	0	0	111.7	L538 D539 V585 Q587 Y588	L538-H566 WeakPolarHBondContact CA-O 3.22Å; D539-H566 PolarHBondContact N-O 2.56Å; D539-H566 PolarHBondContact O-N 2.79Å; D539-H566 WeakPolarHBondContact OD1-CB 3.32Å; D539-H566 PolarHBondContact OD1-N 2.85Å; D539-H566 IonicContact OD1-ND1 2.94Å; H566-V585 WeakPolarHBondContact CA-O 3.26Å; H566-Q587 PolarHBondContact CE1-O 3.3Å; H566-Q587 PolarHBondContact NE2-O 3.23Å; H566-Y588 AromaticContact CD2-CZ 3.96Å; H566-Y588 AromaticContact NE2-CD1 3.61Å; H566-Y588 AromaticContact NE2-CE1 3.49Å; H566-Y588 WeakPolarHBondContact NE2-CE1 3.3Å; H566-Y588 AromaticContact NE2-CE2 3.94Å; H566-Y588 AromaticContact NE2-CG 3.9Å; H566-Y588 AromaticContact NE2-CZ 3.62Å
567	L	98.8	Very high	96.8	Very high	88 Å²	88	59.9 Å²	59.9	46%	0.461	31%	0.309	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-88.3	122.1	157.7	175.6	62.4	0	0	0	107.4	G537 L538 S584 V585	G537-L567 CarbonylContact O-C 3.56Å; G537-L567 WeakPolarHBondContact O-CA 3.33Å; G537-L567 WeakPolarHBondContact O-CD1 3.43Å; L538-L567 HydrophobicContact CD1-CB 4.44Å; L567-S584 CarbonylContact O-C 3.52Å; L567-S584 WeakPolarHBondContact O-CA 3.25Å; L567-V585 HydrophobicContact CB-CG2 4.11Å; L567-V585 PolarHBondContact N-O 2.86Å; L567-V585 PolarHBondContact O-N 3.01Å
568	T	98.8	Very high	96.7	Very high	9 Å²	9	58.2 Å²	58.2	6%	0.055	30%	0.304	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-120	123.2	-177.7	-52.6	0	0	0	0	110.8	F536 G537 Y570 K582 A583 S584	F536-T568 CarbonylContact C-O 3.55Å; F536-T568 WeakPolarHBondContact CA-O 3.49Å; G537-T568 PolarHBondContact N-O 2.74Å; G537-T568 PolarHBondContact O-N 3.3Å; T568-Y570 HydrophobicContact CG2-CD1 4.4Å; T568-Y570 HydrophobicContact CG2-CD2 4.17Å; T568-Y570 HydrophobicContact CG2-CE1 3.85Å; T568-Y570 HydrophobicContact CG2-CE2 3.6Å; T568-Y570 VanDerWaalsContact CG2-CZ 3.41Å; T568-K582 HydrophobicContact CG2-CB 4.48Å; T568-A583 CarbonylContact C-O 3.55Å; T568-A583 WeakPolarHBondContact CA-O 3Å; T568-S584 WeakPolarHBondContact CG2-OG 3.3Å; T568-S584 PolarHBondContact OG1-OG 3.42Å
569	A	98.8	Very high	96.7	Very high	35 Å²	35	57.3 Å²	57.3	29%	0.289	30%	0.299	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-95.6	132.9	168.4	0	0	0	0	0	109.4	F536 K582 A583	F536-A569 HydrophobicContact CD1-CB 4.04Å; F536-A569 HydrophobicContact CE1-CB 3.81Å; A569-K582 WeakPolarHBondContact O-CA 3.29Å; A569-A583 PolarHBondContact N-O 3.47Å; A569-A583 PolarHBondContact O-N 2.96Å
570	Y	98.3	Very high	96.8	Very high	12 Å²	12	50.5 Å²	50.5	5%	0.047	26%	0.262	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-114.2	132.7	175.5	-55.5	-96.2	0	0	0	108.3	L526 W534 A535 T568 V581 K582 Y672	L526-Y570 HydrophobicContact CD1-CE2 4.11Å; W534-Y570 CarbonylContact C-O 3.58Å; W534-Y570 WeakPolarHBondContact CA-O 3.31Å; W534-Y570 WeakPolarHBondContact CB-O 3.48Å; A535-Y570 HydrophobicContact CB-CD2 4.04Å; A535-Y570 HydrophobicContact CB-CG 4.42Å; A535-Y570 PolarHBondContact N-O 3.39Å; A535-Y570 PolarHBondContact O-N 2.84Å; T568-Y570 HydrophobicContact CG2-CD1 4.4Å; T568-Y570 HydrophobicContact CG2-CD2 4.17Å; T568-Y570 HydrophobicContact CG2-CE1 3.85Å; T568-Y570 HydrophobicContact CG2-CE2 3.6Å; T568-Y570 VanDerWaalsContact CG2-CZ 3.41Å; Y570-V581 CarbonylContact C-O 3.54Å; Y570-V581 WeakPolarHBondContact CA-O 3.48Å; Y570-K582 HydrophobicContact CD1-CB 4.39Å; Y570-K582 HydrophobicContact CD1-CD 4.04Å; Y570-K582 HydrophobicContact CD1-CG 3.81Å; Y570-K582 HydrophobicContact CE1-CD 3.87Å; Y570-K582 HydrophobicContact CE1-CG 4.13Å; Y570-Y672 VanDerWaalsContact CB-CE2 3.49Å; Y570-Y672 AromaticContact CD1-CD1 3.81Å; Y570-Y672 HydrophobicContact CD1-CD1 3.81Å; Y570-Y672 AromaticContact CD1-CD2 3.39Å; Y570-Y672 HydrophobicContact CD1-CD2 3.39Å; Y570-Y672 AromaticContact CD1-CE1 3.81Å; Y570-Y672 HydrophobicContact CD1-CE1 3.81Å; Y570-Y672 AromaticContact CD1-CE2 3.38Å; Y570-Y672 HydrophobicContact CD1-CE2 3.38Å; Y570-Y672 AromaticContact CD1-CG 3.6Å; Y570-Y672 HydrophobicContact CD1-CG 3.6Å; Y570-Y672 AromaticContact CD1-CZ 3.59Å; Y570-Y672 AromaticContact CD2-CD2 3.68Å; Y570-Y672 HydrophobicContact CD2-CD2 3.68Å; Y570-Y672 AromaticContact CD2-CE2 3.97Å; Y570-Y672 HydrophobicContact CD2-CE2 3.97Å; Y570-Y672 HydrophobicContact CD2-CG 4.42Å; Y570-Y672 AromaticContact CE1-CD1 3.69Å; Y570-Y672 HydrophobicContact CE1-CD1 3.69Å; Y570-Y672 AromaticContact CE1-CD2 3.58Å; Y570-Y672 HydrophobicContact CE1-CD2 3.58Å; Y570-Y672 HydrophobicContact CE1-CE1 4.15Å; Y570-Y672 HydrophobicContact CE1-CE2 4.06Å; Y570-Y672 AromaticContact CE1-CG 3.36Å; Y570-Y672 HydrophobicContact CE1-CG 3.36Å; Y570-Y672 AromaticContact CE2-CD2 3.86Å; Y570-Y672 HydrophobicContact CE2-CD2 3.86Å; Y570-Y672 HydrophobicContact CE2-CG 4.23Å; Y570-Y672 AromaticContact CG-CD2 3.45Å; Y570-Y672 HydrophobicContact CG-CD2 3.45Å; Y570-Y672 VanDerWaalsContact CG-CD2 3.45Å; Y570-Y672 AromaticContact CG-CE2 3.34Å; Y570-Y672 HydrophobicContact CG-CE2 3.34Å; Y570-Y672 HydrophobicContact CG-CG 4.14Å; Y570-Y672 AromaticContact CG-CZ 3.95Å; Y570-Y672 AromaticContact CZ-CD2 3.81Å; Y570-Y672 AromaticContact CZ-CG 3.71Å
571	W	97.8	Very high	96.9	Very high	118 Å²	118	49.5 Å²	49.5	45%	0.447	26%	0.261	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-145	131.8	-179	-179.4	46.6	0	0	0	112	N533 P573 F575 V581	N533-W571 CarbonylContact O-C 3.54Å; N533-W571 WeakPolarHBondContact O-CA 3.47Å; W571-P573 HydrophobicContact CD2-CG 4.02Å; W571-P573 HydrophobicContact CE3-CG 3.92Å; W571-P573 HydrophobicContact CH2-CB 3.92Å; W571-P573 HydrophobicContact CH2-CG 3.87Å; W571-P573 HydrophobicContact CZ2-CB 3.71Å; W571-P573 HydrophobicContact CZ2-CG 3.96Å; W571-P573 HydrophobicContact CZ3-CB 4.41Å; W571-P573 HydrophobicContact CZ3-CG 3.85Å; W571-F575 HydrophobicContact CH2-CE1 4.28Å; W571-V581 HydrophobicContact CE3-CB 4.46Å; W571-V581 HydrophobicContact CE3-CG2 4.36Å; W571-V581 PolarHBondContact N-O 3.37Å; W571-V581 PolarHBondContact O-N 2.91Å
572	T	96.8	Very high	96.9	Very high	29 Å²	29	48.7 Å²	48.7	18%	0.178	25%	0.251	C	S	.	.			trans	-111.9	103.6	171.1	44.2	0	0	0	0	107.5	N533 V579 L580	N533-T572 WeakPolarHBondContact CA-OG1 3.36Å; N533-T572 WeakPolarHBondContact CB-O 3.25Å; N533-T572 VanDerWaalsContact CB-OG1 3.27Å; N533-T572 WeakPolarHBondContact CB-OG1 3.39Å; N533-T572 PolarHBondContact ND2-O 3.4Å; N533-T572 PolarHBondContact O-N 2.85Å; N533-T572 PolarHBondContact O-OG1 3.4Å; T572-V579 WeakPolarHBondContact CA-O 3.5Å; T572-V579 WeakPolarHBondContact CG2-O 3.37Å; T572-L580 HydrophobicContact CG2-CB 4.36Å; T572-L580 HydrophobicContact CG2-CD1 4.02Å
573	P	95.5	Very high	96.9	Very high	5 Å²	5	50.3 Å²	50.3	3%	0.032	27%	0.266	C	S	.	.			trans	-61.5	140.4	-175.9	-20.8	31.5	0	0	0	111.6	W571 F575 A576 Q577 V579 V581	W571-P573 HydrophobicContact CD2-CG 4.02Å; W571-P573 HydrophobicContact CE3-CG 3.92Å; W571-P573 HydrophobicContact CH2-CB 3.92Å; W571-P573 HydrophobicContact CH2-CG 3.87Å; W571-P573 HydrophobicContact CZ2-CB 3.71Å; W571-P573 HydrophobicContact CZ2-CG 3.96Å; W571-P573 HydrophobicContact CZ3-CB 4.41Å; W571-P573 HydrophobicContact CZ3-CG 3.85Å; P573-F575 HydrophobicContact CB-CD1 3.84Å; P573-F575 HydrophobicContact CB-CD2 4.34Å; P573-F575 HydrophobicContact CB-CE1 3.45Å; P573-F575 VanDerWaalsContact CB-CE1 3.45Å; P573-F575 HydrophobicContact CB-CE2 3.98Å; P573-F575 HydrophobicContact CB-CG 4.27Å; P573-F575 HydrophobicContact CB-CZ 3.52Å; P573-F575 HydrophobicContact CG-CE1 4.42Å; P573-F575 HydrophobicContact CG-CZ 4.1Å; P573-F575 PolarHBondContact O-N 3.08Å; P573-A576 HydrophobicContact CB-CB 4.48Å; P573-A576 CarbonylContact O-C 3.5Å; P573-A576 PolarHBondContact O-N 2.74Å; P573-Q577 PolarHBondContact O-N 3.21Å; P573-V579 WeakPolarHBondContact CD-O 3.34Å; P573-V581 HydrophobicContact CG-CG2 4.45Å
574	S	92.3	Very high	96.9	Very high	93 Å²	93	43.8 Å²	43.8	65%	0.65	24%	0.239	S	C	*	.	T	Hydrogen-bonded Turn	trans	-62.2	-28.1	-179.2	52.3	0	0	0	0	113.3	A576	S574-A576 VanDerWaalsContact C-N 3.32Å
575	F	93.7	Very high	96.9	Very high	169 Å²	169	47.6 Å²	47.6	74%	0.741	26%	0.262	S	S	*	.	T	Hydrogen-bonded Turn	trans	-82.3	-6.3	176	62.5	-97.4	0	0	0	113.8	W571 P573	W571-F575 HydrophobicContact CH2-CE1 4.28Å; P573-F575 HydrophobicContact CB-CD1 3.84Å; P573-F575 HydrophobicContact CB-CD2 4.34Å; P573-F575 HydrophobicContact CB-CE1 3.45Å; P573-F575 VanDerWaalsContact CB-CE1 3.45Å; P573-F575 HydrophobicContact CB-CE2 3.98Å; P573-F575 HydrophobicContact CB-CG 4.27Å; P573-F575 HydrophobicContact CB-CZ 3.52Å; P573-F575 HydrophobicContact CG-CE1 4.42Å; P573-F575 HydrophobicContact CG-CZ 4.1Å; P573-F575 PolarHBondContact O-N 3.08Å
576	A	93.1	Very high	96.9	Very high	16 Å²	16	48.1 Å²	48.1	13%	0.132	27%	0.267	C	S	.	.			trans	-151	69.6	-178.2	0	0	0	0	0	109.7	P573 S574 D578 V579	P573-A576 HydrophobicContact CB-CB 4.48Å; P573-A576 CarbonylContact O-C 3.5Å; P573-A576 PolarHBondContact O-N 2.74Å; S574-A576 VanDerWaalsContact C-N 3.32Å; A576-D578 PolarHBondContact O-N 3.36Å; A576-D578 VanDerWaalsContact O-N 3.09Å; A576-V579 HydrophobicContact CB-CB 4.01Å; A576-V579 HydrophobicContact CB-CG2 3.88Å; A576-V579 PolarHBondContact O-N 3.15Å
577	Q	92.4	Very high	96.9	Very high	117 Å²	117	50.3 Å²	50.3	55%	0.547	28%	0.277	S	S	.	.	T	Hydrogen-bonded Turn	trans	-67.2	-9.8	-173.1	-63.6	-172	-6.1	0	0	114.4	P573 R602	P573-Q577 PolarHBondContact O-N 3.21Å; Q577-R602 PolarHBondContact O-NH2 3.39Å
578	D	94.3	Very high	96.9	Very high	49 Å²	49	46.1 Å²	46.1	26%	0.262	26%	0.255	S	S	.	.	T	Hydrogen-bonded Turn	trans	-97	-1.7	176.2	65.7	-41.8	0	0	0	112.6	A576 K601 R602	A576-D578 PolarHBondContact O-N 3.36Å; A576-D578 VanDerWaalsContact O-N 3.09Å; D578-K601 CarbonylContact O-C 3.59Å; D578-K601 WeakPolarHBondContact O-CA 3.41Å; D578-K601 WeakPolarHBondContact OD2-CE 3.46Å; D578-K601 IonicContact OD2-NZ 2.75Å; D578-K601 PolarHBondContact OD2-NZ 2.97Å; D578-R602 WeakPolarHBondContact CB-O 3.39Å; D578-R602 PolarHBondContact O-N 3.47Å
579	V	96.9	Very high	96.8	Very high	9 Å²	9	45.7 Å²	45.7	6%	0.055	25%	0.253	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-107.4	129.6	176.8	178.3	0	0	0	0	110.6	F58 T572 P573 A576 V581 I599 A600 K601	F58-V579 HydrophobicContact CE1-CG2 3.7Å; F58-V579 HydrophobicContact CZ-CG2 3.7Å; T572-V579 WeakPolarHBondContact CA-O 3.5Å; T572-V579 WeakPolarHBondContact CG2-O 3.37Å; P573-V579 WeakPolarHBondContact CD-O 3.34Å; A576-V579 HydrophobicContact CB-CB 4.01Å; A576-V579 HydrophobicContact CB-CG2 3.88Å; A576-V579 PolarHBondContact O-N 3.15Å; V579-V581 HydrophobicContact CG1-CG2 4.38Å; V579-I599 HydrophobicContact CG1-CG2 3.93Å; V579-A600 CarbonylContact C-O 3.53Å; V579-A600 VanDerWaalsContact CA-O 3.32Å; V579-A600 WeakPolarHBondContact CA-O 3.12Å; V579-K601 HydrophobicContact CG2-CB 4.47Å; V579-K601 HydrophobicContact CG2-CG 4.34Å
580	L	97.1	Very high	96.7	Very high	30 Å²	30	44.5 Å²	44.5	16%	0.157	24%	0.243	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-108.5	124.5	170.4	175.5	61.1	0	0	0	109.6	T572 K582 I599 A600 Y672	T572-L580 HydrophobicContact CG2-CB 4.36Å; T572-L580 HydrophobicContact CG2-CD1 4.02Å; L580-K582 HydrophobicContact CD1-CG 4.44Å; L580-K582 HydrophobicContact CD2-CD 4.39Å; L580-K582 VanDerWaalsContact CD2-CE 3.43Å; L580-K582 HydrophobicContact CD2-CG 4.15Å; L580-K582 HydrophobicContact CG-CG 4.01Å; L580-I599 WeakPolarHBondContact O-CA 3.43Å; L580-A600 PolarHBondContact N-O 3.06Å; L580-A600 PolarHBondContact O-N 2.72Å; L580-Y672 VanDerWaalsContact CD1-OH 3.27Å; L580-Y672 WeakPolarHBondContact CD1-OH 3.32Å; L580-Y672 HydrophobicContact CD2-CE1 3.81Å
581	V	98.4	Very high	96.7	Very high	29 Å²	29	45.4 Å²	45.4	18%	0.176	26%	0.256	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-103.6	124.9	169.5	-175.8	0	0	0	0	108.1	Y570 W571 P573 V579 L597 E598	Y570-V581 CarbonylContact C-O 3.54Å; Y570-V581 WeakPolarHBondContact CA-O 3.48Å; W571-V581 HydrophobicContact CE3-CB 4.46Å; W571-V581 HydrophobicContact CE3-CG2 4.36Å; W571-V581 PolarHBondContact N-O 3.37Å; W571-V581 PolarHBondContact O-N 2.91Å; P573-V581 HydrophobicContact CG-CG2 4.45Å; V579-V581 HydrophobicContact CG1-CG2 4.38Å; V581-L597 HydrophobicContact CG1-CD1 3.88Å; V581-E598 CarbonylContact C-O 3.56Å; V581-E598 WeakPolarHBondContact CA-O 3.31Å
582	K	98.3	Very high	96.7	Very high	32 Å²	32	40 Å²	40	14%	0.139	24%	0.236	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-115.7	126.6	169.9	-44.8	-180	-174.9	153.7	0	109.1	T568 A569 Y570 L580 E598	T568-K582 HydrophobicContact CG2-CB 4.48Å; A569-K582 WeakPolarHBondContact O-CA 3.29Å; Y570-K582 HydrophobicContact CD1-CB 4.39Å; Y570-K582 HydrophobicContact CD1-CD 4.04Å; Y570-K582 HydrophobicContact CD1-CG 3.81Å; Y570-K582 HydrophobicContact CE1-CD 3.87Å; Y570-K582 HydrophobicContact CE1-CG 4.13Å; L580-K582 HydrophobicContact CD1-CG 4.44Å; L580-K582 HydrophobicContact CD2-CD 4.39Å; L580-K582 VanDerWaalsContact CD2-CE 3.43Å; L580-K582 HydrophobicContact CD2-CG 4.15Å; L580-K582 HydrophobicContact CG-CG 4.01Å; K582-E598 HydrophobicContact CB-CB 4.16Å; K582-E598 WeakPolarHBondContact CE-OE1 3.26Å; K582-E598 PolarHBondContact N-O 3.24Å; K582-E598 IonicContact NZ-OE1 3.78Å; K582-E598 PolarHBondContact NZ-OE1 2.72Å; K582-E598 IonicContact NZ-OE2 2.6Å; K582-E598 PolarHBondContact O-N 2.96Å
583	A	98.7	Very high	96.7	Very high	45 Å²	45	44.7 Å²	44.7	37%	0.372	25%	0.254	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-121.5	112.7	175.7	0	0	0	0	0	108.7	T568 A569 T596	T568-A583 CarbonylContact C-O 3.55Å; T568-A583 WeakPolarHBondContact CA-O 3Å; A569-A583 PolarHBondContact N-O 3.47Å; A569-A583 PolarHBondContact O-N 2.96Å; A583-T596 WeakPolarHBondContact CA-O 3.4Å
584	S	98.7	Very high	96.9	Very high	10 Å²	10	45.5 Å²	45.5	7%	0.07	26%	0.263	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-109	137.7	-179.3	-49.3	0	0	0	0	109.7	L567 T568 G595 T596	L567-S584 CarbonylContact O-C 3.52Å; L567-S584 WeakPolarHBondContact O-CA 3.25Å; T568-S584 WeakPolarHBondContact CG2-OG 3.3Å; T568-S584 PolarHBondContact OG1-OG 3.42Å; S584-G595 CarbonylContact O-C 3.59Å; S584-G595 WeakPolarHBondContact O-CA 3.41Å; S584-T596 PolarHBondContact N-O 3.07Å; S584-T596 PolarHBondContact O-N 2.9Å
585	V	98.8	Very high	97.2	Very high	85 Å²	85	42.1 Å²	42.1	52%	0.515	24%	0.243	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-132.3	134.5	171.5	-66.1	0	0	0	0	110	H566 L567 G594	H566-V585 WeakPolarHBondContact CA-O 3.26Å; L567-V585 HydrophobicContact CB-CG2 4.11Å; L567-V585 PolarHBondContact N-O 2.86Å; L567-V585 PolarHBondContact O-N 3.01Å; V585-G594 WeakPolarHBondContact CA-O 3.31Å
586	G	98.6	Very high	97.4	Very high	25 Å²	25	34.6 Å²	34.6	26%	0.258	21%	0.211	S	C	.	.	E	Extended strand (participates in β ladder)	trans	168.8	-155.9	-172.3	0	0	0	0	0	115.1	G565 K593 G594	G565-G586 VanDerWaalsContact O-CA 3.26Å; G565-G586 WeakPolarHBondContact O-CA 3.32Å; G586-K593 VanDerWaalsContact O-CA 3.27Å; G586-K593 WeakPolarHBondContact O-CA 3.48Å; G586-G594 PolarHBondContact N-O 2.93Å; G586-G594 PolarHBondContact O-N 3.46Å
587	Q	98.6	Very high	97.7	Very high	51 Å²	51	38 Å²	38	24%	0.238	23%	0.226	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-116.9	129.4	178.8	-174.3	169.4	-56.1	0	0	110.4	K563 T564 G565 H566 D592 K593	K563-Q587 PolarHBondContact O-NE2 2.91Å; T564-Q587 VanDerWaalsContact CA-O 3.28Å; T564-Q587 WeakPolarHBondContact CA-O 3.41Å; T564-Q587 WeakPolarHBondContact CB-O 3.08Å; T564-Q587 PolarHBondContact OG1-O 3.39Å; G565-Q587 PolarHBondContact N-O 2.7Å; G565-Q587 VanDerWaalsContact N-O 3.1Å; G565-Q587 PolarHBondContact O-N 2.73Å; H566-Q587 PolarHBondContact CE1-O 3.3Å; H566-Q587 PolarHBondContact NE2-O 3.23Å; Q587-D592 CarbonylContact C-O 3.52Å; Q587-D592 WeakPolarHBondContact CA-O 3.42Å; Q587-K593 HydrophobicContact CB-CG 4.15Å; Q587-K593 HydrophobicContact CG-CG 4.13Å
588	Y	98.3	Very high	98	Very high	0 Å²	0	34 Å²	34	0%	0	21%	0.207	C	C	.	.			trans	-94.1	176.9	-175.8	-63.6	-92.8	0	0	0	111.5	H566 A590 G591 D592 G595 T596 T614 T616 G662 Q663 Q664	H566-Y588 AromaticContact CD2-CZ 3.96Å; H566-Y588 AromaticContact NE2-CD1 3.61Å; H566-Y588 AromaticContact NE2-CE1 3.49Å; H566-Y588 WeakPolarHBondContact NE2-CE1 3.3Å; H566-Y588 AromaticContact NE2-CE2 3.94Å; H566-Y588 AromaticContact NE2-CG 3.9Å; H566-Y588 AromaticContact NE2-CZ 3.62Å; Y588-A590 VanDerWaalsContact C-N 3.34Å; Y588-A590 PolarHBondContact O-N 3.47Å; Y588-G591 PolarHBondContact O-N 2.78Å; Y588-D592 WeakPolarHBondContact CB-OD1 3.46Å; Y588-D592 PolarHBondContact N-O 2.98Å; Y588-G595 WeakPolarHBondContact OH-CA 3.24Å; Y588-T596 WeakPolarHBondContact CE1-OG1 3.4Å; Y588-T596 PolarHBondContact OH-N 2.92Å; Y588-T596 PolarHBondContact OH-OG1 3.41Å; Y588-T614 HydrophobicContact CD1-CG2 4.28Å; Y588-T614 HydrophobicContact CE1-CG2 3.57Å; Y588-T614 HydrophobicContact CE2-CG2 4Å; Y588-T614 VanDerWaalsContact CZ-CG2 3.44Å; Y588-T616 HydrophobicContact CD2-CG2 3.71Å; Y588-T616 HydrophobicContact CE2-CG2 3.74Å; Y588-G662 WeakPolarHBondContact CD1-O 3.42Å; Y588-Q663 WeakPolarHBondContact CB-O 3.33Å; Y588-Q664 HydrophobicContact CD1-CG 3.8Å; Y588-Q664 HydrophobicContact CE1-CG 3.62Å
589	L	98.1	Very high	98.1	Very high	0 Å²	0	35.6 Å²	35.6	0%	0	22%	0.215	C	C	.	.	T	Hydrogen-bonded Turn	trans	-64	-32.3	-173	-75.6	171.8	0	0	0	114.1	V476 F518 V543 Y560 V562 T564 G591 Q663 Q664 L665	V476-L589 HydrophobicContact CB-CB 3.92Å; V476-L589 HydrophobicContact CG1-CB 4.12Å; V476-L589 HydrophobicContact CG2-CB 3.81Å; F518-L589 HydrophobicContact CD1-CD2 4.24Å; F518-L589 HydrophobicContact CD2-CD1 4.22Å; F518-L589 HydrophobicContact CD2-CD2 4.23Å; F518-L589 HydrophobicContact CE1-CD2 4.08Å; F518-L589 HydrophobicContact CE2-CD1 3.89Å; F518-L589 HydrophobicContact CE2-CD2 4.07Å; F518-L589 HydrophobicContact CE2-CG 4.47Å; F518-L589 HydrophobicContact CG-CD2 4.33Å; F518-L589 HydrophobicContact CZ-CD1 4.44Å; F518-L589 HydrophobicContact CZ-CD2 3.99Å; V543-L589 HydrophobicContact CG2-CD2 3.95Å; Y560-L589 PolarHBondContact OH-O 3.07Å; V562-L589 HydrophobicContact CG1-CD2 4.28Å; V562-L589 WeakPolarHBondContact CG1-O 3.41Å; T564-L589 HydrophobicContact CG2-CD2 4.08Å; L589-G591 PolarHBondContact O-N 3.41Å; L589-Q663 WeakPolarHBondContact CB-O 3.34Å; L589-Q663 HydrophobicContact CD1-CB 4.46Å; L589-Q663 WeakPolarHBondContact CG-O 3.39Å; L589-Q663 PolarHBondContact N-O 3.05Å; L589-Q664 WeakPolarHBondContact CD1-O 3.29Å; L589-L665 HydrophobicContact CD2-CB 4.27Å; L589-L665 HydrophobicContact CD2-CD1 4.3Å
590	A	96.5	Very high	98.2	Very high	10 Å²	10	35.3 Å²	35.3	8%	0.083	21%	0.214	C	C	.	.	T	Hydrogen-bonded Turn	trans	-77.4	0.4	176.2	0	0	0	0	0	112.9	L473 V476 Y588 D592 D660	L473-A590 HydrophobicContact CB-CB 4.36Å; L473-A590 HydrophobicContact CD1-CB 4.37Å; L473-A590 HydrophobicContact CD2-CB 4.45Å; V476-A590 HydrophobicContact CG1-CB 4.49Å; V476-A590 HydrophobicContact CG2-CB 4.31Å; Y588-A590 VanDerWaalsContact C-N 3.34Å; Y588-A590 PolarHBondContact O-N 3.47Å; A590-D592 VanDerWaalsContact C-N 3.3Å; A590-D592 WeakPolarHBondContact CB-OD1 3.47Å; A590-D660 WeakPolarHBondContact CB-O 3.24Å
591	G	97.2	Very high	98.2	Very high	31 Å²	31	34.3 Å²	34.3	32%	0.32	21%	0.208	S	C	.	.	S	Bend	trans	87.4	-2.5	-177.8	0	0	0	0	0	113.9	Y588 L589	Y588-G591 PolarHBondContact O-N 2.78Å; L589-G591 PolarHBondContact O-N 3.41Å
592	D	97.6	Very high	98	Very high	6 Å²	6	35.8 Å²	35.8	3%	0.032	21%	0.211	C	C	.	.			trans	-71.7	151.7	174.8	59.4	-48.7	0	0	0	112.3	Q587 Y588 A590 T616 V618 G662	Q587-D592 CarbonylContact C-O 3.52Å; Q587-D592 WeakPolarHBondContact CA-O 3.42Å; Y588-D592 WeakPolarHBondContact CB-OD1 3.46Å; Y588-D592 PolarHBondContact N-O 2.98Å; A590-D592 VanDerWaalsContact C-N 3.3Å; A590-D592 WeakPolarHBondContact CB-OD1 3.47Å; D592-T616 VanDerWaalsContact OD2-CB 3.24Å; D592-T616 WeakPolarHBondContact OD2-CB 3.44Å; D592-T616 WeakPolarHBondContact OD2-CG2 3.16Å; D592-T616 PolarHBondContact OD2-OG1 2.91Å; D592-V618 HydrophobicContact CB-CG2 3.37Å; D592-G662 PolarHBondContact OD2-N 2.89Å
593	K	98.4	Very high	97.9	Very high	126 Å²	126	34.5 Å²	34.5	55%	0.548	21%	0.205	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-119.2	136.1	-175.1	-64.8	178.8	-178	175.7	0	110.1	G586 Q587 T616 N617	G586-K593 VanDerWaalsContact O-CA 3.27Å; G586-K593 WeakPolarHBondContact O-CA 3.48Å; Q587-K593 HydrophobicContact CB-CG 4.15Å; Q587-K593 HydrophobicContact CG-CG 4.13Å; K593-T616 CarbonylContact O-C 3.57Å; K593-T616 VanDerWaalsContact O-CA 3.26Å; K593-T616 WeakPolarHBondContact O-CA 3.47Å; K593-T616 VanDerWaalsContact O-CB 3.32Å; K593-T616 WeakPolarHBondContact O-CB 3.09Å; K593-N617 PolarHBondContact N-OD1 3.45Å; K593-N617 PolarHBondContact O-N 2.82Å; K593-N617 PolarHBondContact O-OD1 2.66Å
594	G	98.3	Very high	97.7	Very high	22 Å²	22	36.8 Å²	36.8	23%	0.227	21%	0.211	C	C	.	.	E	Extended strand (participates in β ladder)	trans	177.9	-154.8	-175.4	0	0	0	0	0	113.5	V585 G586 I615	V585-G594 WeakPolarHBondContact CA-O 3.31Å; G586-G594 PolarHBondContact N-O 2.93Å; G586-G594 PolarHBondContact O-N 3.46Å; G594-I615 CarbonylContact C-O 3.59Å; G594-I615 VanDerWaalsContact CA-O 3.23Å; G594-I615 WeakPolarHBondContact CA-O 3.46Å
595	G	98.4	Very high	97.5	Very high	22 Å²	22	36.5 Å²	36.5	23%	0.227	21%	0.209	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-141.4	147.3	178.6	0	0	0	0	0	114.2	S584 Y588 T614 I615	S584-G595 CarbonylContact O-C 3.59Å; S584-G595 WeakPolarHBondContact O-CA 3.41Å; Y588-G595 WeakPolarHBondContact OH-CA 3.24Å; G595-T614 WeakPolarHBondContact O-CA 3.23Å; G595-I615 PolarHBondContact N-O 3.02Å; G595-I615 PolarHBondContact O-N 2.67Å
596	T	98.6	Very high	97.2	Very high	11 Å²	11	32.4 Å²	32.4	7%	0.067	19%	0.185	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-109.9	126.4	173.5	-58.4	0	0	0	0	108.4	A583 S584 Y588 A613 T614	A583-T596 WeakPolarHBondContact CA-O 3.4Å; S584-T596 PolarHBondContact N-O 3.07Å; S584-T596 PolarHBondContact O-N 2.9Å; Y588-T596 WeakPolarHBondContact CE1-OG1 3.4Å; Y588-T596 PolarHBondContact OH-N 2.92Å; Y588-T596 PolarHBondContact OH-OG1 3.41Å; T596-A613 WeakPolarHBondContact CA-O 3.44Å; T596-T614 WeakPolarHBondContact OG1-CG2 3.2Å; T596-T614 PolarHBondContact OG1-OG1 2.87Å
597	L	98.7	Very high	97.1	Very high	88 Å²	88	31.2 Å²	31.2	46%	0.461	17%	0.172	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-103.9	124.3	165.7	179.5	64.8	0	0	0	108.2	V581 I599 Y612 A613	V581-L597 HydrophobicContact CG1-CD1 3.88Å; L597-I599 HydrophobicContact CD2-CD1 4.39Å; L597-I599 HydrophobicContact CG-CG1 4.42Å; L597-Y612 CarbonylContact O-C 3.54Å; L597-Y612 WeakPolarHBondContact O-CA 3.5Å; L597-A613 PolarHBondContact N-O 2.79Å; L597-A613 PolarHBondContact O-N 2.91Å
598	E	98.5	Very high	97	Very high	32 Å²	32	30 Å²	30	15%	0.15	17%	0.168	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-121.2	133.1	173	-179	-171.2	142.1	0	0	109.3	V581 K582 G611 Y633	V581-E598 CarbonylContact C-O 3.56Å; V581-E598 WeakPolarHBondContact CA-O 3.31Å; K582-E598 HydrophobicContact CB-CB 4.16Å; K582-E598 WeakPolarHBondContact CE-OE1 3.26Å; K582-E598 PolarHBondContact N-O 3.24Å; K582-E598 IonicContact NZ-OE1 3.78Å; K582-E598 PolarHBondContact NZ-OE1 2.72Å; K582-E598 IonicContact NZ-OE2 2.6Å; K582-E598 PolarHBondContact O-N 2.96Å; E598-G611 CarbonylContact C-O 3.53Å; E598-G611 VanDerWaalsContact CA-O 3.3Å; E598-G611 WeakPolarHBondContact CA-O 3.49Å; E598-Y633 HydrophobicContact CG-CE1 4.21Å; E598-Y633 PolarHBondContact OE1-OH 3.42Å
599	I	98.2	Very high	97	Very high	83 Å²	83	30.8 Å²	30.8	43%	0.426	17%	0.173	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-126.2	124.8	174.8	-59.9	170.4	0	0	0	107.3	V579 L580 L597 G610 G611	V579-I599 HydrophobicContact CG1-CG2 3.93Å; L580-I599 WeakPolarHBondContact O-CA 3.43Å; L597-I599 HydrophobicContact CD2-CD1 4.39Å; L597-I599 HydrophobicContact CG-CG1 4.42Å; I599-G610 CarbonylContact O-C 3.56Å; I599-G610 WeakPolarHBondContact O-CA 3.09Å; I599-G611 PolarHBondContact N-O 2.58Å; I599-G611 PolarHBondContact O-N 2.98Å
600	A	97.5	Very high	97	Very high	4 Å²	4	31 Å²	31	3%	0.033	18%	0.175	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-131	135.6	-178.5	0	0	0	0	0	111	V579 L580 V608 V609 Y633	V579-A600 CarbonylContact C-O 3.53Å; V579-A600 VanDerWaalsContact CA-O 3.32Å; V579-A600 WeakPolarHBondContact CA-O 3.12Å; L580-A600 PolarHBondContact N-O 3.06Å; L580-A600 PolarHBondContact O-N 2.72Å; A600-V608 HydrophobicContact CB-CG1 3.83Å; A600-V609 CarbonylContact C-O 3.55Å; A600-V609 WeakPolarHBondContact CA-O 3.4Å; A600-Y633 VanDerWaalsContact CB-OH 3.31Å; A600-Y633 WeakPolarHBondContact CB-OH 3.4Å
601	K	96.9	Very high	97	Very high	8 Å²	8	31.7 Å²	31.7	4%	0.035	18%	0.183	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-110.4	132.5	175.6	-175.6	-172.7	176.4	81.7	0	110.1	E35 L57 F58 D578 V579 F603 V608 V609	E35-K601 WeakPolarHBondContact OE1-CE 3.49Å; E35-K601 IonicContact OE1-NZ 3.78Å; E35-K601 PolarHBondContact OE1-NZ 2.6Å; L57-K601 WeakPolarHBondContact O-CD 3.31Å; L57-K601 WeakPolarHBondContact O-CE 3.47Å; L57-K601 PolarHBondContact O-NZ 3.4Å; F58-K601 HydrophobicContact CD1-CD 4.38Å; F58-K601 HydrophobicContact CE1-CD 4.04Å; F58-K601 HydrophobicContact CZ-CD 4.17Å; D578-K601 CarbonylContact O-C 3.59Å; D578-K601 WeakPolarHBondContact O-CA 3.41Å; D578-K601 WeakPolarHBondContact OD2-CE 3.46Å; D578-K601 IonicContact OD2-NZ 2.75Å; D578-K601 PolarHBondContact OD2-NZ 2.97Å; V579-K601 HydrophobicContact CG2-CB 4.47Å; V579-K601 HydrophobicContact CG2-CG 4.34Å; K601-F603 HydrophobicContact CD-CE1 3.81Å; K601-F603 HydrophobicContact CD-CE2 4.4Å; K601-F603 HydrophobicContact CD-CZ 3.73Å; K601-F603 VanDerWaalsContact CE-CE1 3.5Å; K601-F603 HydrophobicContact CG-CZ 4.37Å; K601-V608 CarbonylContact O-C 3.49Å; K601-V608 VanDerWaalsContact O-CA 3.25Å; K601-V608 WeakPolarHBondContact O-CA 3.44Å; K601-V609 PolarHBondContact N-O 2.79Å; K601-V609 PolarHBondContact O-N 2.92Å
602	R	95.7	Very high	97	Very high	60 Å²	60	32.9 Å²	32.9	23%	0.226	18%	0.178	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-101	128.2	173.8	-176.3	-177.6	62.8	-132.1	-12.2	110.3	Q577 D578 V607 V608 N681	Q577-R602 PolarHBondContact O-NH2 3.39Å; D578-R602 WeakPolarHBondContact CB-O 3.39Å; D578-R602 PolarHBondContact O-N 3.47Å; R602-V607 CarbonylContact C-O 3.51Å; R602-V607 WeakPolarHBondContact CA-O 3.48Å; R602-V608 HydrophobicContact CB-CG2 3.97Å; R602-V608 HydrophobicContact CG-CG2 3.99Å; R602-N681 PolarHBondContact NH1-O 3.19Å; R602-N681 PolarHBondContact NH2-O 2.79Å
603	F	96	Very high	96.9	Very high	5 Å²	5	34.3 Å²	34.3	2%	0.022	19%	0.191	C	C	.	.			trans	-91.2	169.5	174.9	-62.5	-81.1	0	0	0	111.8	E35 V55 L57 F260 N261 K601 S605 G606 V607 V609	E35-F603 HydrophobicContact CG-CE1 4.37Å; V55-F603 HydrophobicContact CG1-CZ 4.42Å; L57-F603 HydrophobicContact CD2-CZ 4.35Å; F260-F603 HydrophobicContact CB-CB 3.7Å; F260-F603 HydrophobicContact CB-CD1 4.13Å; F260-F603 HydrophobicContact CB-CD2 3.84Å; F260-F603 HydrophobicContact CB-CG 3.6Å; F260-F603 AromaticContact CD2-CD2 3.76Å; F260-F603 HydrophobicContact CD2-CD2 3.76Å; F260-F603 AromaticContact CD2-CE2 3.76Å; F260-F603 HydrophobicContact CD2-CE2 3.76Å; F260-F603 HydrophobicContact CD2-CG 4.33Å; F260-F603 HydrophobicContact CD2-CZ 4.3Å; F260-F603 HydrophobicContact CG-CD2 4.24Å; F260-F603 HydrophobicContact CG-CG 4.47Å; N261-F603 WeakPolarHBondContact OD1-CB 3.31Å; N261-F603 WeakPolarHBondContact OD1-CD1 3.44Å; K601-F603 HydrophobicContact CD-CE1 3.81Å; K601-F603 HydrophobicContact CD-CE2 4.4Å; K601-F603 HydrophobicContact CD-CZ 3.73Å; K601-F603 VanDerWaalsContact CE-CE1 3.5Å; K601-F603 HydrophobicContact CG-CZ 4.37Å; F603-S605 PolarHBondContact O-N 3.5Å; F603-G606 WeakPolarHBondContact O-CA 3.49Å; F603-G606 PolarHBondContact O-N 3.15Å; F603-V607 HydrophobicContact CD2-CB 4.42Å; F603-V607 HydrophobicContact CD2-CG1 4.39Å; F603-V607 WeakPolarHBondContact CD2-O 3.47Å; F603-V607 PolarHBondContact N-O 3.06Å; F603-V609 HydrophobicContact CD2-CG2 4.45Å; F603-V609 HydrophobicContact CE2-CB 4.11Å; F603-V609 HydrophobicContact CE2-CG2 3.7Å
604	D	93.6	Very high	96.9	Very high	94 Å²	94	28.5 Å²	28.5	50%	0.503	17%	0.166	S	C	.	.	T	Hydrogen-bonded Turn	trans	-59.6	-33.8	-176.9	-76.2	-24.7	0	0	0	113.6	N261 G606	N261-D604 HydrophobicContact CB-CB 4.43Å; N261-D604 PolarHBondContact OD1-N 3.5Å; N261-D604 VanDerWaalsContact OD1-N 3.1Å; D604-G606 PolarHBondContact O-N 3.43Å
605	S	94	Very high	96.8	Very high	3 Å²	3	32.3 Å²	32.3	2%	0.021	18%	0.18	C	C	.	.	T	Hydrogen-bonded Turn	trans	-67.5	-13.7	173.8	63.4	0	0	0	0	113.7	F260 L263 R324 F603 V607	F260-S605 WeakPolarHBondContact O-CB 3.44Å; F260-S605 PolarHBondContact O-N 3.22Å; F260-S605 PolarHBondContact O-OG 3.12Å; L263-S605 VanDerWaalsContact O-CB 3.24Å; L263-S605 WeakPolarHBondContact O-CB 3.48Å; R324-S605 PolarHBondContact NH1-O 3.48Å; R324-S605 PolarHBondContact NH2-O 2.85Å; F603-S605 PolarHBondContact O-N 3.5Å; S605-V607 WeakPolarHBondContact OG-CG2 3.42Å; S605-V607 PolarHBondContact OG-N 3.39Å
606	G	93.8	Very high	96.7	Very high	0 Å²	0	32.6 Å²	32.6	0%	0	18%	0.177	C	C	.	.	S	Bend	trans	93	-8.9	-171.6	0	0	0	0	0	115.5	F603 D604 V608 P637 R649	F603-G606 WeakPolarHBondContact O-CA 3.49Å; F603-G606 PolarHBondContact O-N 3.15Å; D604-G606 PolarHBondContact O-N 3.43Å; G606-V608 PolarHBondContact O-N 3.18Å; G606-P637 VanDerWaalsContact C-CG 3.5Å; G606-R649 PolarHBondContact O-NH1 2.74Å; G606-R649 VanDerWaalsContact O-NH1 3.1Å; G606-R649 PolarHBondContact O-NH2 3.46Å
607	V	96.7	Very high	96.6	Very high	0 Å²	0	37.5 Å²	37.5	0%	0	20%	0.203	C	C	.	.			trans	-55.1	134.1	172	174.6	0	0	0	0	108.6	F260 L263 R602 F603 S605 V609 V634 S635 V636 L640	F260-V607 HydrophobicContact CB-CB 4.26Å; F260-V607 HydrophobicContact CD1-CB 4.29Å; F260-V607 HydrophobicContact CD1-CG1 4.07Å; F260-V607 HydrophobicContact CD1-CG2 4.1Å; F260-V607 HydrophobicContact CD2-CB 4.44Å; F260-V607 HydrophobicContact CD2-CG1 3.82Å; F260-V607 HydrophobicContact CE1-CG1 4.11Å; F260-V607 HydrophobicContact CE1-CG2 4.49Å; F260-V607 HydrophobicContact CE2-CG1 3.87Å; F260-V607 HydrophobicContact CG-CB 4.11Å; F260-V607 HydrophobicContact CG-CG1 3.91Å; F260-V607 HydrophobicContact CG-CG2 4.4Å; F260-V607 HydrophobicContact CZ-CG1 3.99Å; L263-V607 HydrophobicContact CD1-CG2 4.47Å; R602-V607 CarbonylContact C-O 3.51Å; R602-V607 WeakPolarHBondContact CA-O 3.48Å; F603-V607 HydrophobicContact CD2-CB 4.42Å; F603-V607 HydrophobicContact CD2-CG1 4.39Å; F603-V607 WeakPolarHBondContact CD2-O 3.47Å; F603-V607 PolarHBondContact N-O 3.06Å; S605-V607 WeakPolarHBondContact OG-CG2 3.42Å; S605-V607 PolarHBondContact OG-N 3.39Å; V607-V609 HydrophobicContact CG1-CG2 4.32Å; V607-V634 HydrophobicContact CG1-CG1 3.84Å; V607-S635 CarbonylContact C-O 3.27Å; V607-S635 WeakPolarHBondContact CA-O 3.41Å; V607-V636 HydrophobicContact CG2-CG1 4.15Å; V607-L640 HydrophobicContact CG2-CD1 3.92Å
608	V	96.9	Very high	96.3	Very high	26 Å²	26	34.3 Å²	34.3	16%	0.158	19%	0.187	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-116	127.2	175.7	176.3	0	0	0	0	108	A600 K601 R602 G606 Y633 V634 S635	A600-V608 HydrophobicContact CB-CG1 3.83Å; K601-V608 CarbonylContact O-C 3.49Å; K601-V608 VanDerWaalsContact O-CA 3.25Å; K601-V608 WeakPolarHBondContact O-CA 3.44Å; R602-V608 HydrophobicContact CB-CG2 3.97Å; R602-V608 HydrophobicContact CG-CG2 3.99Å; G606-V608 PolarHBondContact O-N 3.18Å; V608-Y633 HydrophobicContact CG1-CE2 4.21Å; V608-V634 CarbonylContact O-C 3.52Å; V608-V634 WeakPolarHBondContact O-CA 3.3Å; V608-S635 PolarHBondContact N-O 3.46Å; V608-S635 PolarHBondContact O-N 3.42Å
609	V	97.9	Very high	95.9	Very high	16 Å²	16	34.8 Å²	34.8	10%	0.097	19%	0.194	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-114.2	125.3	170.8	-178.3	0	0	0	0	107.6	L57 F260 A600 K601 F603 V607 Y633 V634	L57-V609 HydrophobicContact CD2-CB 3.91Å; L57-V609 HydrophobicContact CD2-CG1 3.69Å; F260-V609 HydrophobicContact CD2-CG2 4.24Å; F260-V609 HydrophobicContact CE2-CG2 3.75Å; A600-V609 CarbonylContact C-O 3.55Å; A600-V609 WeakPolarHBondContact CA-O 3.4Å; K601-V609 PolarHBondContact N-O 2.79Å; K601-V609 PolarHBondContact O-N 2.92Å; F603-V609 HydrophobicContact CD2-CG2 4.45Å; F603-V609 HydrophobicContact CE2-CB 4.11Å; F603-V609 HydrophobicContact CE2-CG2 3.7Å; V607-V609 HydrophobicContact CG1-CG2 4.32Å; V609-Y633 WeakPolarHBondContact CA-O 3.21Å; V609-V634 HydrophobicContact CG1-CG2 4.5Å; V609-V634 HydrophobicContact CG2-CG1 4.19Å; V609-V634 HydrophobicContact CG2-CG2 4.2Å
610	G	97.3	Very high	95.3	Very high	4 Å²	4	35.5 Å²	35.5	4%	0.041	19%	0.194	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-137.1	160.1	-178.4	0	0	0	0	0	113.3	I599 V632 Y633	I599-G610 CarbonylContact O-C 3.56Å; I599-G610 WeakPolarHBondContact O-CA 3.09Å; G610-V632 CarbonylContact O-C 3.53Å; G610-V632 WeakPolarHBondContact O-CA 3.33Å; G610-V632 WeakPolarHBondContact O-CB 3.44Å; G610-Y633 PolarHBondContact N-O 3.33Å; G610-Y633 PolarHBondContact O-N 3.39Å
611	G	96.5	Very high	94.6	Very high	24 Å²	24	42 Å²	42	25%	0.247	22%	0.224	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-136.8	147.5	174.8	0	0	0	0	0	110.5	E598 I599 G631	E598-G611 CarbonylContact C-O 3.53Å; E598-G611 VanDerWaalsContact CA-O 3.3Å; E598-G611 WeakPolarHBondContact CA-O 3.49Å; I599-G611 PolarHBondContact N-O 2.58Å; I599-G611 PolarHBondContact O-N 2.98Å; G611-G631 CarbonylContact C-O 3.58Å; G611-G631 VanDerWaalsContact CA-O 3.3Å; G611-G631 WeakPolarHBondContact CA-O 3.37Å
612	Y	97.3	Very high	94.1	Very high	57 Å²	57	45.6 Å²	45.6	22%	0.224	24%	0.241	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-136	151.9	177.5	65.9	-89.1	0	0	0	112.1	L597 T629 K630 G631 Y633 T655	L597-Y612 CarbonylContact O-C 3.54Å; L597-Y612 WeakPolarHBondContact O-CA 3.5Å; Y612-T629 HydrophobicContact CE2-CG2 3.92Å; Y612-K630 CarbonylContact O-C 3.56Å; Y612-K630 VanDerWaalsContact O-CA 3.25Å; Y612-K630 WeakPolarHBondContact O-CA 3.39Å; Y612-G631 WeakPolarHBondContact CD1-O 3.35Å; Y612-G631 PolarHBondContact N-O 3.2Å; Y612-G631 PolarHBondContact O-N 2.88Å; Y612-Y633 HydrophobicContact CD1-CD1 4.36Å; Y612-T655 PolarHBondContact OH-OG1 3.14Å; Y612-T655 VanDerWaalsContact OH-OG1 3.08Å
613	A	96.4	Very high	93.7	Very high	36 Å²	36	43 Å²	43	30%	0.298	23%	0.231	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-140.4	134.2	172.8	0	0	0	0	0	109.4	T596 L597 F628	T596-A613 WeakPolarHBondContact CA-O 3.44Å; L597-A613 PolarHBondContact N-O 2.79Å; L597-A613 PolarHBondContact O-N 2.91Å; A613-F628 HydrophobicContact CB-CE2 3.88Å
614	T	97.4	Very high	93	Very high	4 Å²	4	43.1 Å²	43.1	3%	0.025	23%	0.233	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-117.8	121.5	178.9	-56	0	0	0	0	109.6	Y588 G595 T596 T616 F628 T629	Y588-T614 HydrophobicContact CD1-CG2 4.28Å; Y588-T614 HydrophobicContact CE1-CG2 3.57Å; Y588-T614 HydrophobicContact CE2-CG2 4Å; Y588-T614 VanDerWaalsContact CZ-CG2 3.44Å; G595-T614 WeakPolarHBondContact O-CA 3.23Å; T596-T614 WeakPolarHBondContact OG1-CG2 3.2Å; T596-T614 PolarHBondContact OG1-OG1 2.87Å; T614-T616 HydrophobicContact CG2-CG2 3.78Å; T614-F628 WeakPolarHBondContact O-CB 3.44Å; T614-T629 PolarHBondContact N-O 3.48Å
615	I	95.9	Very high	92.4	Very high	102 Å²	102	41.8 Å²	41.8	52%	0.523	22%	0.224	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-114.6	127.2	174.2	-56.5	-62.3	0	0	0	108.3	G594 G595 F628	G594-I615 CarbonylContact C-O 3.59Å; G594-I615 VanDerWaalsContact CA-O 3.23Å; G594-I615 WeakPolarHBondContact CA-O 3.46Å; G595-I615 PolarHBondContact N-O 3.02Å; G595-I615 PolarHBondContact O-N 2.67Å; I615-F628 HydrophobicContact CD1-CB 3.84Å; I615-F628 HydrophobicContact CD1-CD1 3.84Å; I615-F628 HydrophobicContact CD1-CD2 3.58Å; I615-F628 HydrophobicContact CD1-CE1 4.26Å; I615-F628 HydrophobicContact CD1-CE2 4.03Å; I615-F628 HydrophobicContact CD1-CG 3.48Å; I615-F628 VanDerWaalsContact CD1-CG 3.48Å; I615-F628 HydrophobicContact CD1-CZ 4.33Å
616	T	96.9	Very high	91.9	Very high	27 Å²	27	41.7 Å²	41.7	17%	0.166	22%	0.224	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-125.6	-178.7	-179.8	73.3	0	0	0	0	111.3	Y588 D592 K593 T614 V618	Y588-T616 HydrophobicContact CD2-CG2 3.71Å; Y588-T616 HydrophobicContact CE2-CG2 3.74Å; D592-T616 VanDerWaalsContact OD2-CB 3.24Å; D592-T616 WeakPolarHBondContact OD2-CB 3.44Å; D592-T616 WeakPolarHBondContact OD2-CG2 3.16Å; D592-T616 PolarHBondContact OD2-OG1 2.91Å; K593-T616 CarbonylContact O-C 3.57Å; K593-T616 VanDerWaalsContact O-CA 3.26Å; K593-T616 WeakPolarHBondContact O-CA 3.47Å; K593-T616 VanDerWaalsContact O-CB 3.32Å; K593-T616 WeakPolarHBondContact O-CB 3.09Å; T614-T616 HydrophobicContact CG2-CG2 3.78Å; T616-V618 PolarHBondContact O-N 3.41Å; T616-V618 PolarHBondContact OG1-N 3.46Å
617	N	95.6	Very high	91.5	Very high	114 Å²	114	42.5 Å²	42.5	61%	0.61	23%	0.228	S	C	*	.	S	Bend	trans	-75.7	0.7	177.7	71	-52.9	0	0	0	113.9	K593	K593-N617 PolarHBondContact N-OD1 3.45Å; K593-N617 PolarHBondContact O-N 2.82Å; K593-N617 PolarHBondContact O-OD1 2.66Å
618	V	92.9	Very high	91.2	Very high	21 Å²	21	44.3 Å²	44.3	13%	0.127	24%	0.236	C	C	.	.	S	Bend	trans	-75.5	132.2	174.3	177.2	0	0	0	0	108.7	L473 D592 T616 E622	L473-V618 HydrophobicContact CD1-CG1 3.98Å; L473-V618 HydrophobicContact CD1-CG2 4.25Å; L473-V618 HydrophobicContact CD2-CG1 4.28Å; L473-V618 HydrophobicContact CD2-CG2 3.87Å; L473-V618 HydrophobicContact CG-CG1 4.36Å; D592-V618 HydrophobicContact CB-CG2 3.37Å; T616-V618 PolarHBondContact O-N 3.41Å; T616-V618 PolarHBondContact OG1-N 3.46Å; V618-E622 HydrophobicContact CG1-CB 3.57Å
619	S	90.2	Very high	91.1	Very high	43 Å²	43	43.2 Å²	43.2	30%	0.301	23%	0.229	S	C	.	.			trans	-72.1	162.4	176.5	92.3	0	0	0	0	111.7	E621 E622 Y623	S619-E621 VanDerWaalsContact CB-OE2 3.25Å; S619-E621 WeakPolarHBondContact CB-OE2 3.36Å; S619-E621 PolarHBondContact O-N 2.77Å; S619-E621 PolarHBondContact OG-N 3.26Å; S619-E621 PolarHBondContact OG-OE2 3.19Å; S619-E622 PolarHBondContact N-OE2 3.11Å; S619-E622 PolarHBondContact O-N 3.18Å; S619-E622 PolarHBondContact OG-N 2.65Å; S619-Y623 WeakPolarHBondContact O-CB 3.22Å; S619-Y623 PolarHBondContact O-N 2.93Å
620	K	86	Confident	90.9	Very high	98 Å²	98	43.9 Å²	43.9	43%	0.426	23%	0.231	S	C	.	.	H	α-helix	trans	-58.9	-35.6	176.1	-66.3	-174	172.3	-154.1	0	111.5	G624 D627	K620-G624 PolarHBondContact O-N 3.35Å; K620-D627 HydrophobicContact CD-CB 4.03Å; K620-D627 WeakPolarHBondContact CE-OD2 3.49Å; K620-D627 HydrophobicContact CG-CB 3.96Å; K620-D627 IonicContact NZ-OD1 3.4Å; K620-D627 IonicContact NZ-OD2 3.96Å; K620-D627 PolarHBondContact NZ-OD2 3.05Å
621	E	83.3	Confident	90.7	Very high	141 Å²	141	43.9 Å²	43.9	66%	0.659	23%	0.231	S	C	*	.	H	α-helix	trans	-68.5	-40.1	178	-56.4	71.7	-155.1	0	0	112	S619 G624	S619-E621 VanDerWaalsContact CB-OE2 3.25Å; S619-E621 WeakPolarHBondContact CB-OE2 3.36Å; S619-E621 PolarHBondContact O-N 2.77Å; S619-E621 PolarHBondContact OG-N 3.26Å; S619-E621 PolarHBondContact OG-OE2 3.19Å; E621-G624 PolarHBondContact O-N 2.95Å
622	E	86.1	Confident	90.6	Very high	83 Å²	83	44.5 Å²	44.5	39%	0.388	23%	0.23	S	C	.	.	H	α-helix	trans	-74.1	-34.5	177.4	-69.5	179.7	129.1	0	0	112.9	S471 V618 S619 G624	S471-E622 WeakPolarHBondContact CA-O 3.35Å; S471-E622 PolarHBondContact OG-O 2.85Å; V618-E622 HydrophobicContact CG1-CB 3.57Å; S619-E622 PolarHBondContact N-OE2 3.11Å; S619-E622 PolarHBondContact O-N 3.18Å; S619-E622 PolarHBondContact OG-N 2.65Å; E622-G624 VanDerWaalsContact C-N 3.27Å
623	Y	86	Confident	90.6	Very high	6 Å²	6	43.9 Å²	43.9	2%	0.024	23%	0.228	C	C	.	.	H	α-helix	trans	-65.7	-36.1	172.7	-175.9	-90.7	0	0	0	111	S619 E625 F628 T629 R659	S619-Y623 WeakPolarHBondContact O-CB 3.22Å; S619-Y623 PolarHBondContact O-N 2.93Å; Y623-E625 WeakPolarHBondContact CD1-O 3.38Å; Y623-E625 VanDerWaalsContact CE1-O 3.23Å; Y623-E625 WeakPolarHBondContact CE1-O 3.31Å; Y623-F628 VanDerWaalsContact CE1-N 3.34Å; Y623-F628 PolarHBondContact OH-O 2.86Å; Y623-T629 WeakPolarHBondContact OH-CA 3.45Å; Y623-T629 PolarHBondContact OH-N 3.02Å; Y623-T629 PolarHBondContact OH-OG1 3.46Å; Y623-R659 HydrophobicContact CE1-CB 4Å; Y623-R659 HydrophobicContact CE1-CG 3.93Å; Y623-R659 HydrophobicContact CE2-CB 4.03Å
624	G	82.7	Confident	90.6	Very high	6 Å²	6	44.1 Å²	44.1	6%	0.062	23%	0.225	C	C	.	.			trans	83.6	-150.4	-173.9	0	0	0	0	0	111.7	K620 E621 E622 G626	K620-G624 PolarHBondContact O-N 3.35Å; E621-G624 PolarHBondContact O-N 2.95Å; E622-G624 VanDerWaalsContact C-N 3.27Å; G624-G626 PolarHBondContact O-N 3.17Å
625	E	80.8	Confident	90.5	Very high	66 Å²	66	44.8 Å²	44.8	31%	0.308	23%	0.23	S	C	.	.	T	Hydrogen-bonded Turn	trans	-52.2	137.6	179.4	-172.7	-169.1	-175.5	0	0	112.2	A173 Y623 L657 R659	A173-E625 HydrophobicContact CB-CG 4.49Å; A173-E625 WeakPolarHBondContact CB-OE1 3.42Å; A173-E625 WeakPolarHBondContact O-CG 3.23Å; Y623-E625 WeakPolarHBondContact CD1-O 3.38Å; Y623-E625 VanDerWaalsContact CE1-O 3.23Å; Y623-E625 WeakPolarHBondContact CE1-O 3.31Å; E625-L657 HydrophobicContact CB-CD2 3.72Å; E625-L657 HydrophobicContact CG-CD2 3.54Å; E625-L657 WeakPolarHBondContact O-CD2 3.37Å; E625-R659 IonicContact OE2-NH2 3.16Å; E625-R659 PolarHBondContact OE2-NH2 2.79Å
626	G	83.4	Confident	90.4	Very high	2 Å²	2	41.1 Å²	41.1	2%	0.021	21%	0.212	C	C	.	.	T	Hydrogen-bonded Turn	trans	93.4	-3.9	175.9	0	0	0	0	0	116.6	A173 G624 F628 K630	A173-G626 WeakPolarHBondContact O-CA 3.29Å; A173-G626 PolarHBondContact O-N 3.19Å; G624-G626 PolarHBondContact O-N 3.17Å; G626-F628 PolarHBondContact O-N 3.26Å; G626-K630 WeakPolarHBondContact O-CE 3.34Å; G626-K630 PolarHBondContact O-NZ 2.96Å
627	D	85	Confident	90.3	Very high	16 Å²	16	39.8 Å²	39.8	9%	0.086	20%	0.204	C	C	.	.	S	Bend	trans	64.9	-45.5	177.8	-60.9	-13.8	0	0	0	116.3	S175 I176 K620	S175-D627 VanDerWaalsContact CA-OD2 3.3Å; S175-D627 WeakPolarHBondContact CA-OD2 3.45Å; S175-D627 WeakPolarHBondContact CB-OD2 2.92Å; I176-D627 PolarHBondContact N-OD2 3.12Å; I176-D627 VanDerWaalsContact N-OD2 3.11Å; K620-D627 HydrophobicContact CD-CB 4.03Å; K620-D627 WeakPolarHBondContact CE-OD2 3.49Å; K620-D627 HydrophobicContact CG-CB 3.96Å; K620-D627 IonicContact NZ-OD1 3.4Å; K620-D627 IonicContact NZ-OD2 3.96Å; K620-D627 PolarHBondContact NZ-OD2 3.05Å
628	F	90.9	Very high	90.2	Very high	38 Å²	38	37.6 Å²	37.6	17%	0.167	19%	0.192	C	C	.	.	S	Bend	trans	-164.3	162.6	-175.1	66.4	-90	0	0	0	111.9	I176 A613 T614 I615 Y623 G626 K630	I176-F628 HydrophobicContact CD1-CE1 4.07Å; I176-F628 HydrophobicContact CD1-CZ 3.73Å; I176-F628 HydrophobicContact CG1-CE1 4.41Å; A613-F628 HydrophobicContact CB-CE2 3.88Å; T614-F628 WeakPolarHBondContact O-CB 3.44Å; I615-F628 HydrophobicContact CD1-CB 3.84Å; I615-F628 HydrophobicContact CD1-CD1 3.84Å; I615-F628 HydrophobicContact CD1-CD2 3.58Å; I615-F628 HydrophobicContact CD1-CE1 4.26Å; I615-F628 HydrophobicContact CD1-CE2 4.03Å; I615-F628 HydrophobicContact CD1-CG 3.48Å; I615-F628 VanDerWaalsContact CD1-CG 3.48Å; I615-F628 HydrophobicContact CD1-CZ 4.33Å; Y623-F628 VanDerWaalsContact CE1-N 3.34Å; Y623-F628 PolarHBondContact OH-O 2.86Å; G626-F628 PolarHBondContact O-N 3.26Å; F628-K630 HydrophobicContact CD2-CB 4.27Å; F628-K630 HydrophobicContact CE2-CB 3.83Å; F628-K630 HydrophobicContact CE2-CD 3.96Å; F628-K630 HydrophobicContact CE2-CG 4.49Å; F628-K630 HydrophobicContact CZ-CD 4.02Å; F628-K630 VanDerWaalsContact O-CE 3.29Å; F628-K630 WeakPolarHBondContact O-CE 3.25Å; F628-K630 PolarHBondContact O-N 2.76Å
629	T	93.8	Very high	90.1	Very high	3 Å²	3	36.9 Å²	36.9	2%	0.018	19%	0.188	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-73.3	125.2	-179.2	-79.6	0	0	0	0	111.2	Y612 T614 Y623 G661 Q663	Y612-T629 HydrophobicContact CE2-CG2 3.92Å; T614-T629 PolarHBondContact N-O 3.48Å; Y623-T629 WeakPolarHBondContact OH-CA 3.45Å; Y623-T629 PolarHBondContact OH-N 3.02Å; Y623-T629 PolarHBondContact OH-OG1 3.46Å; T629-G661 PolarHBondContact OG1-O 2.68Å; T629-Q663 PolarHBondContact OG1-NE2 2.89Å
630	K	94.1	Very high	90.2	Very high	30 Å²	30	35.6 Å²	35.6	13%	0.13	18%	0.177	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-147.8	156.2	176.1	73.6	-154.4	102.9	-168.4	0	110.6	G174 I176 Y612 G626 F628 T655 P656	G174-K630 PolarHBondContact O-NZ 2.81Å; I176-K630 HydrophobicContact CD1-CD 4.09Å; Y612-K630 CarbonylContact O-C 3.56Å; Y612-K630 VanDerWaalsContact O-CA 3.25Å; Y612-K630 WeakPolarHBondContact O-CA 3.39Å; G626-K630 WeakPolarHBondContact O-CE 3.34Å; G626-K630 PolarHBondContact O-NZ 2.96Å; F628-K630 HydrophobicContact CD2-CB 4.27Å; F628-K630 HydrophobicContact CE2-CB 3.83Å; F628-K630 HydrophobicContact CE2-CD 3.96Å; F628-K630 HydrophobicContact CE2-CG 4.49Å; F628-K630 HydrophobicContact CZ-CD 4.02Å; F628-K630 VanDerWaalsContact O-CE 3.29Å; F628-K630 WeakPolarHBondContact O-CE 3.25Å; F628-K630 PolarHBondContact O-N 2.76Å; K630-T655 WeakPolarHBondContact O-CG2 3.45Å; K630-P656 HydrophobicContact CG-CG 4.09Å; K630-P656 WeakPolarHBondContact O-CD 3.11Å
631	G	93.7	Very high	90.4	Very high	4 Å²	4	38 Å²	38	4%	0.041	19%	0.188	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-171.1	168.6	176.7	0	0	0	0	0	112.5	G611 Y612 W654	G611-G631 CarbonylContact C-O 3.58Å; G611-G631 VanDerWaalsContact CA-O 3.3Å; G611-G631 WeakPolarHBondContact CA-O 3.37Å; Y612-G631 WeakPolarHBondContact CD1-O 3.35Å; Y612-G631 PolarHBondContact N-O 3.2Å; Y612-G631 PolarHBondContact O-N 2.88Å; G631-W654 CarbonylContact C-O 3.53Å; G631-W654 WeakPolarHBondContact CA-O 3.31Å
632	V	94.8	Very high	90.6	Very high	38 Å²	38	33 Å²	33	23%	0.23	17%	0.169	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-128.5	159.7	170.3	-54	0	0	0	0	110	L65 G610 G653 W654	L65-V632 HydrophobicContact CD1-CG2 3.56Å; L65-V632 HydrophobicContact CG-CG2 4.5Å; G610-V632 CarbonylContact O-C 3.53Å; G610-V632 WeakPolarHBondContact O-CA 3.33Å; G610-V632 WeakPolarHBondContact O-CB 3.44Å; V632-G653 CarbonylContact O-C 3.48Å; V632-W654 HydrophobicContact CG2-CB 4.3Å; V632-W654 HydrophobicContact CG2-CE3 4.1Å; V632-W654 PolarHBondContact N-O 3.39Å; V632-W654 PolarHBondContact O-N 3.35Å
633	Y	96.1	Very high	90.7	Very high	44 Å²	44	34.6 Å²	34.6	17%	0.173	19%	0.189	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-147.6	155.7	178.4	65.1	-95.7	0	0	0	111.6	E598 A600 V608 V609 G610 Y612 I652	E598-Y633 HydrophobicContact CG-CE1 4.21Å; E598-Y633 PolarHBondContact OE1-OH 3.42Å; A600-Y633 VanDerWaalsContact CB-OH 3.31Å; A600-Y633 WeakPolarHBondContact CB-OH 3.4Å; V608-Y633 HydrophobicContact CG1-CE2 4.21Å; V609-Y633 WeakPolarHBondContact CA-O 3.21Å; G610-Y633 PolarHBondContact N-O 3.33Å; G610-Y633 PolarHBondContact O-N 3.39Å; Y612-Y633 HydrophobicContact CD1-CD1 4.36Å; Y633-I652 CarbonylContact C-O 3.53Å; Y633-I652 WeakPolarHBondContact CA-O 3.22Å
634	V	96.3	Very high	90.9	Very high	40 Å²	40	35.3 Å²	35.3	24%	0.242	20%	0.198	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-122.6	121.6	169.8	-172.8	0	0	0	0	107.9	F260 V607 V608 V609 V636 A651 I652	F260-V634 HydrophobicContact CZ-CG1 4.5Å; V607-V634 HydrophobicContact CG1-CG1 3.84Å; V608-V634 CarbonylContact O-C 3.52Å; V608-V634 WeakPolarHBondContact O-CA 3.3Å; V609-V634 HydrophobicContact CG1-CG2 4.5Å; V609-V634 HydrophobicContact CG2-CG1 4.19Å; V609-V634 HydrophobicContact CG2-CG2 4.2Å; V634-V636 HydrophobicContact CG1-CG2 3.75Å; V634-A651 CarbonylContact O-C 3.41Å; V634-A651 WeakPolarHBondContact O-CA 3.24Å; V634-I652 PolarHBondContact N-O 3.02Å; V634-I652 PolarHBondContact O-N 2.82Å
635	S	95.6	Very high	91.4	Very high	18 Å²	18	36 Å²	36	13%	0.126	20%	0.202	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-105.2	120.4	171	-178.9	0	0	0	0	109.6	V607 V608 R649 A650	V607-S635 CarbonylContact C-O 3.27Å; V607-S635 WeakPolarHBondContact CA-O 3.41Å; V608-S635 PolarHBondContact N-O 3.46Å; V608-S635 PolarHBondContact O-N 3.42Å; S635-R649 PolarHBondContact O-NH2 3.44Å; S635-R649 PolarHBondContact OG-NE 2.81Å; S635-R649 PolarHBondContact OG-NH2 2.8Å; S635-A650 CarbonylContact C-O 3.59Å; S635-A650 VanDerWaalsContact CA-O 3.3Å; S635-A650 WeakPolarHBondContact CA-O 3.05Å
636	V	95.2	Very high	91.9	Very high	25 Å²	25	34.4 Å²	34.4	15%	0.152	20%	0.196	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-113.8	121.7	-174	-172	0	0	0	0	109.6	V607 V634 L638 L640 F641 R649 A650	V607-V636 HydrophobicContact CG2-CG1 4.15Å; V634-V636 HydrophobicContact CG1-CG2 3.75Å; V636-L638 PolarHBondContact O-N 3.09Å; V636-L640 HydrophobicContact CG1-CD1 4.17Å; V636-F641 HydrophobicContact CG1-CD2 4.45Å; V636-F641 HydrophobicContact CG1-CE2 3.59Å; V636-F641 HydrophobicContact CG1-CZ 4.42Å; V636-R649 CarbonylContact O-C 3.56Å; V636-R649 VanDerWaalsContact O-CA 3.31Å; V636-R649 WeakPolarHBondContact O-CA 3.05Å; V636-A650 PolarHBondContact N-O 3.17Å; V636-A650 PolarHBondContact O-N 3.04Å
637	P	94.6	Very high	92.2	Very high	0 Å²	0	35.9 Å²	35.9	0%	0	20%	0.201	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-57.6	131.4	169.6	-22.1	32.6	0	0	0	111.3	G606 D639 L640	G606-P637 VanDerWaalsContact C-CG 3.5Å; P637-D639 VanDerWaalsContact C-N 3.28Å; P637-D639 WeakPolarHBondContact CB-OD1 3.1Å; P637-D639 PolarHBondContact O-N 3.03Å; P637-L640 HydrophobicContact CB-CD1 4.35Å; P637-L640 HydrophobicContact CB-CG 4.29Å; P637-L640 HydrophobicContact CG-CD1 4.32Å; P637-L640 PolarHBondContact O-N 3.16Å
638	L	92.5	Very high	92.5	Very high	67 Å²	67	38.2 Å²	38.2	35%	0.351	22%	0.219	S	C	.	.	G	3₁₀ helix	trans	-74.9	-20.3	179.2	-66.8	-173.3	0	0	0	112.5	V636 L640 F641 S642 T646 S648 A650	V636-L638 PolarHBondContact O-N 3.09Å; L638-L640 PolarHBondContact O-N 3.11Å; L638-L640 VanDerWaalsContact O-N 3.12Å; L638-F641 CarbonylContact O-C 3.54Å; L638-F641 PolarHBondContact O-N 3.22Å; L638-S642 WeakPolarHBondContact O-CB 3.23Å; L638-S642 PolarHBondContact O-N 3.13Å; L638-S642 PolarHBondContact O-OG 3.46Å; L638-S642 VanDerWaalsContact O-OG 3.06Å; L638-T646 HydrophobicContact CB-CG2 3.88Å; L638-S648 WeakPolarHBondContact CB-O 3.44Å; L638-S648 PolarHBondContact N-O 3.08Å; L638-A650 HydrophobicContact CD2-CB 3.79Å
639	D	92	Very high	92.5	Very high	7 Å²	7	40.1 Å²	40.1	4%	0.037	23%	0.225	C	C	.	.	G	3₁₀ helix	trans	-59.7	-20.4	175	70.6	-29.2	0	0	0	113.2	P265 Y267 R324 P637 F641 S642 T646	P265-D639 WeakPolarHBondContact CB-O 3.35Å; Y267-D639 WeakPolarHBondContact CD1-O 3.43Å; Y267-D639 HydrophobicContact CE1-CB 4.08Å; R324-D639 IonicContact CZ-OD2 3.22Å; R324-D639 IonicContact NE-OD1 3.57Å; R324-D639 IonicContact NE-OD2 2.84Å; R324-D639 PolarHBondContact NE-OD2 3.48Å; R324-D639 IonicContact NH2-OD1 3.79Å; R324-D639 IonicContact NH2-OD2 3.99Å; R324-D639 PolarHBondContact NH2-OD2 2.04Å; P637-D639 VanDerWaalsContact C-N 3.28Å; P637-D639 WeakPolarHBondContact CB-OD1 3.1Å; P637-D639 PolarHBondContact O-N 3.03Å; D639-F641 PolarHBondContact O-N 2.98Å; D639-S642 WeakPolarHBondContact CA-OG 3.39Å; D639-T646 HydrophobicContact CB-CG2 4.1Å
640	L	92.5	Very high	92.4	Very high	16 Å²	16	42 Å²	42	8%	0.084	24%	0.241	C	C	.	.	G	3₁₀ helix	trans	-67.4	-23	172.4	-63.4	175.1	0	0	0	113.4	L263 P265 V607 V636 P637 L638	L263-L640 HydrophobicContact CB-CD2 4.31Å; L263-L640 HydrophobicContact CD1-CD1 4.34Å; P265-L640 HydrophobicContact CG-CD2 4.06Å; V607-L640 HydrophobicContact CG2-CD1 3.92Å; V636-L640 HydrophobicContact CG1-CD1 4.17Å; P637-L640 HydrophobicContact CB-CD1 4.35Å; P637-L640 HydrophobicContact CB-CG 4.29Å; P637-L640 HydrophobicContact CG-CD1 4.32Å; P637-L640 PolarHBondContact O-N 3.16Å; L638-L640 PolarHBondContact O-N 3.11Å; L638-L640 VanDerWaalsContact O-N 3.12Å
641	F	88.9	Confident	92.2	Very high	149 Å²	149	44.4 Å²	44.4	65%	0.654	27%	0.266	S	S	*	.	T	Hydrogen-bonded Turn	trans	-132.3	-4.5	-174.1	-48	-69.5	0	0	0	114.4	V636 L638 D639	V636-F641 HydrophobicContact CG1-CD2 4.45Å; V636-F641 HydrophobicContact CG1-CE2 3.59Å; V636-F641 HydrophobicContact CG1-CZ 4.42Å; L638-F641 CarbonylContact O-C 3.54Å; L638-F641 PolarHBondContact O-N 3.22Å; D639-F641 PolarHBondContact O-N 2.98Å
642	S	88.8	Confident	92.1	Very high	36 Å²	36	49.5 Å²	49.5	25%	0.252	29%	0.291	S	S	.	.	S	Bend	trans	-85.3	159.7	177.7	56.4	0	0	0	0	112.4	L638 D639 G644	L638-S642 WeakPolarHBondContact O-CB 3.23Å; L638-S642 PolarHBondContact O-N 3.13Å; L638-S642 PolarHBondContact O-OG 3.46Å; L638-S642 VanDerWaalsContact O-OG 3.06Å; D639-S642 WeakPolarHBondContact CA-OG 3.39Å; S642-G644 PolarHBondContact O-N 3.08Å; S642-G644 PolarHBondContact OG-O 3.19Å
643	S	87.9	Confident	91.9	Very high	115 Å²	115	50.4 Å²	50.4	80%	0.804	31%	0.309	S	S	*	.	S	Bend	trans	-72.7	-11.4	177.5	55.7	0	0	0	0	114.2	Y267	Y267-S643 WeakPolarHBondContact CB-O 3.28Å
644	G	90.2	Very high	91.6	Very high	21 Å²	21	50.8 Å²	50.8	22%	0.216	31%	0.31	C	S	.	.	S	Bend	trans	-149.1	165.2	179.8	0	0	0	0	0	111.7	S642	S642-G644 PolarHBondContact O-N 3.08Å; S642-G644 PolarHBondContact OG-O 3.19Å
645	P	92.2	Very high	91.2	Very high	22 Å²	22	50.8 Å²	50.8	14%	0.143	31%	0.31	C	S	.	.			trans	-61.5	139.4	176.8	24.9	-33	0	0	0	111.3	Y267 K322 Y323	Y267-P645 HydrophobicContact CD2-CG 4.45Å; Y267-P645 HydrophobicContact CE1-CB 4.11Å; Y267-P645 HydrophobicContact CE2-CB 3.88Å; Y267-P645 HydrophobicContact CE2-CG 4.05Å; K322-P645 HydrophobicContact CD-CG 4.01Å; K322-P645 HydrophobicContact CG-CB 3.9Å; K322-P645 HydrophobicContact CG-CG 3.47Å; K322-P645 VanDerWaalsContact CG-CG 3.47Å; K322-P645 CarbonylContact O-C 3.59Å; K322-P645 VanDerWaalsContact O-C 3.27Å; K322-P645 WeakPolarHBondContact O-CB 3.44Å; Y323-P645 HydrophobicContact CD1-CB 4.05Å; Y323-P645 HydrophobicContact CD1-CG 4.49Å; Y323-P645 HydrophobicContact CE1-CB 4.1Å; Y323-P645 HydrophobicContact CE1-CG 4.05Å
646	T	91.1	Very high	90.6	Very high	31 Å²	31	50.7 Å²	50.7	19%	0.19	31%	0.309	C	S	.	.			trans	-151.2	154.1	176.6	-179.2	0	0	0	0	110.4	K322 L638 D639 S648	K322-T646 CarbonylContact O-C 3.55Å; K322-T646 WeakPolarHBondContact O-CA 3.33Å; K322-T646 PolarHBondContact O-N 3.06Å; K322-T646 VanDerWaalsContact O-N 3.11Å; L638-T646 HydrophobicContact CB-CG2 3.88Å; D639-T646 HydrophobicContact CB-CG2 4.1Å; T646-S648 WeakPolarHBondContact OG1-CB 3.36Å; T646-S648 PolarHBondContact OG1-N 3.39Å; T646-S648 PolarHBondContact OG1-OG 3.37Å
647	R	91.1	Very high	90.1	Very high	33 Å²	33	51.4 Å²	51.4	13%	0.125	31%	0.312	C	S	.	.			trans	-90.3	-6	169.4	-63.4	-172.9	68	179.4	3.9	113.3	Q320 D677	Q320-R647 WeakPolarHBondContact O-CD 3.46Å; Q320-R647 PolarHBondContact O-NH1 3.21Å; R647-D677 IonicContact CZ-OD1 2.67Å; R647-D677 IonicContact CZ-OD2 3.27Å; R647-D677 IonicContact NH1-OD1 3.74Å; R647-D677 PolarHBondContact NH1-OD1 3.32Å; R647-D677 IonicContact NH1-OD2 3.11Å; R647-D677 PolarHBondContact NH1-OD2 3.15Å; R647-D677 VanDerWaalsContact NH2-CG 3.32Å; R647-D677 IonicContact NH2-OD1 2.85Å; R647-D677 PolarHBondContact NH2-OD1 3.24Å; R647-D677 IonicContact NH2-OD2 3.77Å; R647-D677 PolarHBondContact NH2-OD2 3.29Å
648	S	90.5	Very high	89.7	Confident	65 Å²	65	54.5 Å²	54.5	46%	0.455	33%	0.33	S	S	.	.			trans	-64.5	147.2	-177.6	-61.3	0	0	0	0	111.8	L638 T646	L638-S648 WeakPolarHBondContact CB-O 3.44Å; L638-S648 PolarHBondContact N-O 3.08Å; T646-S648 WeakPolarHBondContact OG1-CB 3.36Å; T646-S648 PolarHBondContact OG1-N 3.39Å; T646-S648 PolarHBondContact OG1-OG 3.37Å
649	R	91.1	Very high	89.6	Confident	78 Å²	78	52.5 Å²	52.5	29%	0.294	32%	0.318	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-133	142.3	-179.8	-55.3	-177	65.6	103.6	5.8	109.5	G606 S635 V636	G606-R649 PolarHBondContact O-NH1 2.74Å; G606-R649 VanDerWaalsContact O-NH1 3.1Å; G606-R649 PolarHBondContact O-NH2 3.46Å; S635-R649 PolarHBondContact O-NH2 3.44Å; S635-R649 PolarHBondContact OG-NE 2.81Å; S635-R649 PolarHBondContact OG-NH2 2.8Å; V636-R649 CarbonylContact O-C 3.56Å; V636-R649 VanDerWaalsContact O-CA 3.31Å; V636-R649 WeakPolarHBondContact O-CA 3.05Å
650	A	90.9	Very high	89.6	Confident	43 Å²	43	52.4 Å²	52.4	36%	0.355	32%	0.318	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-94.7	143.6	163.9	0	0	0	0	0	109.2	S635 V636 L638	S635-A650 CarbonylContact C-O 3.59Å; S635-A650 VanDerWaalsContact CA-O 3.3Å; S635-A650 WeakPolarHBondContact CA-O 3.05Å; V636-A650 PolarHBondContact N-O 3.17Å; V636-A650 PolarHBondContact O-N 3.04Å; L638-A650 HydrophobicContact CD2-CB 3.79Å
651	A	91	Very high	89.7	Confident	80 Å²	80	51.7 Å²	51.7	66%	0.661	31%	0.314	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-122.9	134.2	173.4	0	0	0	0	0	109.8	V634	V634-A651 CarbonylContact O-C 3.41Å; V634-A651 WeakPolarHBondContact O-CA 3.24Å
652	I	90.6	Very high	90.1	Very high	111 Å²	111	44.8 Å²	44.8	57%	0.569	29%	0.285	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-118	112.3	173.5	-56.8	172.2	0	0	0	106.2	Y633 V634	Y633-I652 CarbonylContact C-O 3.53Å; Y633-I652 WeakPolarHBondContact CA-O 3.22Å; V634-I652 PolarHBondContact N-O 3.02Å; V634-I652 PolarHBondContact O-N 2.82Å
653	G	90.6	Very high	90.4	Very high	58 Å²	58	44.3 Å²	44.3	60%	0.598	28%	0.278	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-100.6	145.1	175.1	0	0	0	0	0	111.2	V632	V632-G653 CarbonylContact O-C 3.48Å
654	W	89.2	Confident	90.8	Very high	52 Å²	52	42.1 Å²	42.1	20%	0.197	26%	0.255	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-126.3	114.8	168	179.4	78.7	0	0	0	109.5	L65 Y67 K90 G631 V632 P656	L65-W654 HydrophobicContact CD1-CD2 4.24Å; L65-W654 HydrophobicContact CD1-CE3 4.01Å; L65-W654 HydrophobicContact CD2-CD2 4.21Å; L65-W654 HydrophobicContact CD2-CE3 3.56Å; L65-W654 HydrophobicContact CD2-CH2 3.59Å; L65-W654 HydrophobicContact CD2-CZ2 4.26Å; L65-W654 HydrophobicContact CD2-CZ3 3.21Å; L65-W654 HydrophobicContact CG-CE3 4.47Å; L65-W654 HydrophobicContact CG-CZ3 4.5Å; Y67-W654 AromaticContact CE2-NE1 3.54Å; Y67-W654 AromaticContact CZ-NE1 3.63Å; Y67-W654 PolarHBondContact OH-NE1 3.2Å; K90-W654 HydrophobicContact CB-CZ2 4.33Å; K90-W654 HydrophobicContact CD-CZ2 4.37Å; G631-W654 CarbonylContact C-O 3.53Å; G631-W654 WeakPolarHBondContact CA-O 3.31Å; V632-W654 HydrophobicContact CG2-CB 4.3Å; V632-W654 HydrophobicContact CG2-CE3 4.1Å; V632-W654 PolarHBondContact N-O 3.39Å; V632-W654 PolarHBondContact O-N 3.35Å; W654-P656 HydrophobicContact CE3-CG 4.08Å; W654-P656 HydrophobicContact CH2-CB 3.44Å; W654-P656 VanDerWaalsContact CH2-CB 3.44Å; W654-P656 HydrophobicContact CH2-CG 3.49Å; W654-P656 VanDerWaalsContact CH2-CG 3.49Å; W654-P656 HydrophobicContact CZ2-CB 3.58Å; W654-P656 HydrophobicContact CZ2-CG 4.06Å; W654-P656 HydrophobicContact CZ3-CB 3.96Å; W654-P656 HydrophobicContact CZ3-CG 3.47Å; W654-P656 VanDerWaalsContact CZ3-CG 3.47Å
655	T	88.9	Confident	91.2	Very high	40 Å²	40	41.5 Å²	41.5	25%	0.245	25%	0.247	C	C	.	.			trans	-109.9	112	169.9	-54.7	0	0	0	0	106.3	Y612 K630 L657	Y612-T655 PolarHBondContact OH-OG1 3.14Å; Y612-T655 VanDerWaalsContact OH-OG1 3.08Å; K630-T655 WeakPolarHBondContact O-CG2 3.45Å; T655-L657 WeakPolarHBondContact CG2-O 3.33Å; T655-L657 PolarHBondContact O-N 2.78Å; T655-L657 VanDerWaalsContact O-N 3.1Å
656	P	82.8	Confident	91.3	Very high	15 Å²	15	41.9 Å²	41.9	10%	0.097	26%	0.255	C	S	.	.	S	Bend	trans	-53.2	-38.2	-174.7	-2	-5.3	0	0	0	112.7	K90 K630 W654	K90-P656 PolarHBondContact NZ-O 3.33Å; K630-P656 HydrophobicContact CG-CG 4.09Å; K630-P656 WeakPolarHBondContact O-CD 3.11Å; W654-P656 HydrophobicContact CE3-CG 4.08Å; W654-P656 HydrophobicContact CH2-CB 3.44Å; W654-P656 VanDerWaalsContact CH2-CB 3.44Å; W654-P656 HydrophobicContact CH2-CG 3.49Å; W654-P656 VanDerWaalsContact CH2-CG 3.49Å; W654-P656 HydrophobicContact CZ2-CB 3.58Å; W654-P656 HydrophobicContact CZ2-CG 4.06Å; W654-P656 HydrophobicContact CZ3-CB 3.96Å; W654-P656 HydrophobicContact CZ3-CG 3.47Å; W654-P656 VanDerWaalsContact CZ3-CG 3.47Å
657	L	84.1	Confident	91.5	Very high	41 Å²	41	41.6 Å²	41.6	22%	0.215	25%	0.251	C	S	.	.	S	Bend	trans	-147.6	122.8	175.8	-174.5	68.2	0	0	0	109.9	E625 T655 R659	E625-L657 HydrophobicContact CB-CD2 3.72Å; E625-L657 HydrophobicContact CG-CD2 3.54Å; E625-L657 WeakPolarHBondContact O-CD2 3.37Å; T655-L657 WeakPolarHBondContact CG2-O 3.33Å; T655-L657 PolarHBondContact O-N 2.78Å; T655-L657 VanDerWaalsContact O-N 3.1Å; L657-R659 HydrophobicContact CD2-CG 4.1Å; L657-R659 HydrophobicContact CG-CG 4.13Å
658	T	87	Confident	91.7	Very high	64 Å²	64	43.5 Å²	43.5	39%	0.393	26%	0.26	S	S	.	.			trans	-92.5	111.6	176.2	-58.5	0	0	0	0	109.5	R477	R477-T658 HydrophobicContact CB-CG2 4.06Å
659	R	89.5	Confident	92	Very high	25 Å²	25	41.6 Å²	41.6	9%	0.094	24%	0.244	C	C	.	.			trans	-118.7	-173.7	170.2	-64.4	-67.2	-172.1	144.3	0	109.5	D470 Y623 E625 L657 Q663	D470-R659 IonicContact OD1-CZ 3.48Å; D470-R659 IonicContact OD1-NH1 3.3Å; D470-R659 PolarHBondContact OD1-NH1 2.84Å; D470-R659 IonicContact OD2-CZ 3.57Å; D470-R659 IonicContact OD2-NH1 2.9Å; D470-R659 PolarHBondContact OD2-NH1 2.9Å; D470-R659 VanDerWaalsContact OD2-NH1 3.07Å; D470-R659 IonicContact OD2-NH2 2.77Å; D470-R659 PolarHBondContact OD2-NH2 3.42Å; Y623-R659 HydrophobicContact CE1-CB 4Å; Y623-R659 HydrophobicContact CE1-CG 3.93Å; Y623-R659 HydrophobicContact CE2-CB 4.03Å; E625-R659 IonicContact OE2-NH2 3.16Å; E625-R659 PolarHBondContact OE2-NH2 2.79Å; L657-R659 HydrophobicContact CD2-CG 4.1Å; L657-R659 HydrophobicContact CG-CG 4.13Å; R659-Q663 VanDerWaalsContact O-CG 3.3Å; R659-Q663 WeakPolarHBondContact O-CG 3.38Å; R659-Q663 PolarHBondContact O-NE2 3.07Å
660	D	93.4	Very high	92.3	Very high	6 Å²	6	40.7 Å²	40.7	3%	0.032	24%	0.243	C	C	.	.	S	Bend	trans	-94	-25.3	-167.9	-67.2	-55.3	0	0	0	114.5	L473 P474 R475 V476 R477 T478 A590 Q663	L473-D660 HydrophobicContact CB-CB 4.33Å; P474-D660 WeakPolarHBondContact O-CB 3.35Å; R475-D660 WeakPolarHBondContact CA-OD2 3.46Å; V476-D660 HydrophobicContact CG2-CB 3.92Å; V476-D660 VanDerWaalsContact CG2-O 3.3Å; V476-D660 WeakPolarHBondContact CG2-O 3.47Å; V476-D660 PolarHBondContact N-OD1 2.99Å; R477-D660 PolarHBondContact N-OD1 2.86Å; T478-D660 WeakPolarHBondContact CB-OD2 3.3Å; T478-D660 WeakPolarHBondContact CG2-OD2 3.47Å; T478-D660 PolarHBondContact N-OD1 2.92Å; T478-D660 PolarHBondContact OG1-OD1 3.34Å; T478-D660 PolarHBondContact OG1-OD2 3.03Å; A590-D660 WeakPolarHBondContact CB-O 3.24Å; D660-Q663 WeakPolarHBondContact O-CG 3.32Å
661	G	94.2	Very high	92.6	Very high	1 Å²	1	38.7 Å²	38.7	1%	0.01	23%	0.226	C	C	.	.	T	Hydrogen-bonded Turn	trans	-73.4	143.7	178.7	0	0	0	0	0	113.1	T629 Q663	T629-G661 PolarHBondContact OG1-O 2.68Å; G661-Q663 VanDerWaalsContact C-N 3.28Å; G661-Q663 PolarHBondContact O-N 3.14Å
662	G	96.1	Very high	92.9	Very high	3 Å²	3	36.2 Å²	36.2	3%	0.031	20%	0.199	C	C	.	.	T	Hydrogen-bonded Turn	trans	68.5	22.2	175.2	0	0	0	0	0	115.1	Y588 D592	Y588-G662 WeakPolarHBondContact CD1-O 3.42Å; D592-G662 PolarHBondContact OD2-N 2.89Å
663	Q	96.5	Very high	93	Very high	26 Å²	26	34.6 Å²	34.6	12%	0.121	19%	0.192	C	C	.	.	P	Polyproline II helix	trans	-93.2	124	-178.5	-65.1	-66.8	-34.4	0	0	111.5	V476 R477 Y588 L589 T629 R659 D660 G661	V476-Q663 HydrophobicContact CG2-CB 4.33Å; R477-Q663 HydrophobicContact CB-CG 4.35Å; R477-Q663 HydrophobicContact CG-CB 3.82Å; R477-Q663 HydrophobicContact CG-CG 3.59Å; Y588-Q663 WeakPolarHBondContact CB-O 3.33Å; L589-Q663 WeakPolarHBondContact CB-O 3.34Å; L589-Q663 HydrophobicContact CD1-CB 4.46Å; L589-Q663 WeakPolarHBondContact CG-O 3.39Å; L589-Q663 PolarHBondContact N-O 3.05Å; T629-Q663 PolarHBondContact OG1-NE2 2.89Å; R659-Q663 VanDerWaalsContact O-CG 3.3Å; R659-Q663 WeakPolarHBondContact O-CG 3.38Å; R659-Q663 PolarHBondContact O-NE2 3.07Å; D660-Q663 WeakPolarHBondContact O-CG 3.32Å; G661-Q663 VanDerWaalsContact C-N 3.28Å; G661-Q663 PolarHBondContact O-N 3.14Å
664	Q	96.7	Very high	93.2	Very high	69 Å²	69	32.2 Å²	32.2	32%	0.322	17%	0.165	S	C	.	.	P	Polyproline II helix	trans	-84	155.3	176.5	-63.5	-172.2	-4.6	0	0	111.5	R477 Y588 L589 G666	R477-Q664 PolarHBondContact NH2-O 3.21Å; Y588-Q664 HydrophobicContact CD1-CG 3.8Å; Y588-Q664 HydrophobicContact CE1-CG 3.62Å; L589-Q664 WeakPolarHBondContact CD1-O 3.29Å; Q664-G666 PolarHBondContact O-N 3.29Å
665	L	97.7	Very high	93.5	Very high	9 Å²	9	29.7 Å²	29.7	5%	0.047	16%	0.156	C	C	.	.	P	Polyproline II helix	trans	-65.4	127.3	169.9	178.9	67.1	0	0	0	110.2	L514 E515 F518 N541 V543 T564 L589 R667	L514-L665 HydrophobicContact CD1-CD2 3.92Å; E515-L665 HydrophobicContact CG-CD1 4.46Å; F518-L665 HydrophobicContact CB-CD1 3.85Å; F518-L665 HydrophobicContact CG-CD1 4.43Å; N541-L665 HydrophobicContact CB-CD2 4.02Å; V543-L665 HydrophobicContact CG1-CD1 4.13Å; V543-L665 HydrophobicContact CG1-CD2 3.82Å; T564-L665 HydrophobicContact CG2-CB 4.19Å; T564-L665 HydrophobicContact CG2-CD2 4.41Å; L589-L665 HydrophobicContact CD2-CB 4.27Å; L589-L665 HydrophobicContact CD2-CD1 4.3Å; L665-R667 HydrophobicContact CD2-CG 4.05Å; L665-R667 HydrophobicContact CG-CG 4.09Å; L665-R667 PolarHBondContact O-N 2.8Å
666	G	94.9	Very high	93.7	Very high	30 Å²	30	28.2 Å²	28.2	31%	0.309	15%	0.147	S	C	.	.			trans	-70.7	114	169.4	0	0	0	0	0	109.6	E515 Q664	E515-G666 VanDerWaalsContact OE2-CA 3.23Å; E515-G666 WeakPolarHBondContact OE2-CA 3.49Å; E515-G666 PolarHBondContact OE2-N 2.9Å; E515-G666 VanDerWaalsContact OE2-N 3.08Å; Q664-G666 PolarHBondContact O-N 3.29Å
667	R	95.8	Very high	94.2	Very high	25 Å²	25	27.6 Å²	27.6	9%	0.094	14%	0.143	C	C	.	.			trans	-111.3	123.6	177.4	-63.8	-180	-69	146.2	-0.9	109	Y510 E524 D539 L665 F669 Q670	Y510-R667 WeakPolarHBondContact OH-CD 3.36Å; E524-R667 IonicContact OE1-CZ 2.62Å; E524-R667 IonicContact OE1-NH1 3.44Å; E524-R667 PolarHBondContact OE1-NH1 3.47Å; E524-R667 IonicContact OE1-NH2 2.76Å; E524-R667 PolarHBondContact OE1-NH2 3.18Å; E524-R667 IonicContact OE2-NH1 3.28Å; E524-R667 PolarHBondContact OE2-NH1 2.99Å; D539-R667 IonicContact OD1-NH2 2.72Å; D539-R667 IonicContact OD2-CZ 3.02Å; L665-R667 HydrophobicContact CD2-CG 4.05Å; L665-R667 HydrophobicContact CG-CG 4.09Å; L665-R667 PolarHBondContact O-N 2.8Å; R667-F669 PolarHBondContact O-N 2.99Å; R667-Q670 HydrophobicContact CB-CG 4.27Å
668	K	94.9	Very high	94.7	Very high	73 Å²	73	25.7 Å²	25.7	32%	0.317	13%	0.133	S	C	.	.	S	Bend	trans	-57.4	-38.6	179.2	-174.6	173.6	179.5	169.8	0	112.5	D438 T448	D438-K668 IonicContact OD1-NZ 3.63Å; T448-K668 HydrophobicContact CG2-CD 3.98Å; T448-K668 PolarHBondContact OG1-NZ 3.45Å
669	F	96.5	Very high	94.9	Very high	25 Å²	25	23.7 Å²	23.7	11%	0.11	12%	0.122	C	C	.	.			trans	-119.8	120.8	-178.7	-62.7	-68.1	0	0	0	109.7	L355 L446 T448 F498 Q508 R667 M674	L355-F669 HydrophobicContact CD1-CD1 3.86Å; L355-F669 HydrophobicContact CD1-CE1 3.96Å; L446-F669 HydrophobicContact CD2-CE1 4.41Å; L446-F669 HydrophobicContact CD2-CE2 4.04Å; L446-F669 HydrophobicContact CD2-CZ 3.64Å; T448-F669 HydrophobicContact CG2-CE2 4.05Å; F498-F669 HydrophobicContact CE1-CB 4.03Å; F498-F669 HydrophobicContact CE1-CD2 4.49Å; F498-F669 HydrophobicContact CE1-CG 4.2Å; F498-F669 HydrophobicContact CZ-CB 4.1Å; F498-F669 HydrophobicContact CZ-CD1 4.16Å; F498-F669 AromaticContact CZ-CD2 3.78Å; F498-F669 HydrophobicContact CZ-CD2 3.78Å; F498-F669 HydrophobicContact CZ-CE2 4.21Å; F498-F669 AromaticContact CZ-CG 3.75Å; F498-F669 HydrophobicContact CZ-CG 3.75Å; Q508-F669 PolarHBondContact NE2-O 3.06Å; R667-F669 PolarHBondContact O-N 2.99Å; F669-M674 HydrophobicContact CB-CE 3.96Å; F669-M674 HydrophobicContact CB-SD 3.66Å; F669-M674 HydrophobicContact CD1-SD 3.89Å; F669-M674 HydrophobicContact CG-SD 4.13Å
670	Q	96.9	Very high	94.8	Very high	59 Å²	59	25.7 Å²	25.7	28%	0.276	14%	0.136	S	C	.	.			trans	-119.4	127.4	174.9	-59.6	-174.6	28.9	0	0	108.9	R667 Y672 D673 M674	R667-Q670 HydrophobicContact CB-CG 4.27Å; Q670-Y672 PolarHBondContact O-N 2.86Å; Q670-Y672 VanDerWaalsContact O-N 3.15Å; Q670-D673 PolarHBondContact O-N 3.03Å; Q670-D673 VanDerWaalsContact O-N 3.07Å; Q670-M674 WeakPolarHBondContact O-CG 3Å; Q670-M674 PolarHBondContact O-N 3.3Å
671	L	97.9	Very high	94.1	Very high	0 Å²	0	27.7 Å²	27.7	0%	0	15%	0.147	C	C	.	.	H	α-helix	trans	-59.1	-32.9	-173.1	-76.9	169.9	0	0	0	112.5	M357 Y506 Q508 E524 L526 M674 T675	M357-L671 HydrophobicContact CE-CD2 4.34Å; M357-L671 HydrophobicContact SD-CD2 4.28Å; Y506-L671 WeakPolarHBondContact O-CD1 3.21Å; Q508-L671 HydrophobicContact CG-CD1 4.05Å; Q508-L671 HydrophobicContact CG-CD2 4.38Å; Q508-L671 HydrophobicContact CG-CG 4.01Å; E524-L671 HydrophobicContact CB-CD1 3.97Å; E524-L671 HydrophobicContact CG-CD1 3.8Å; E524-L671 HydrophobicContact CG-CG 4.34Å; E524-L671 WeakPolarHBondContact O-CD1 3.17Å; E524-L671 WeakPolarHBondContact OE2-CB 3.23Å; E524-L671 VanDerWaalsContact OE2-CG 3.28Å; E524-L671 WeakPolarHBondContact OE2-CG 3.35Å; E524-L671 PolarHBondContact OE2-N 2.93Å; L526-L671 HydrophobicContact CB-CB 3.63Å; L526-L671 HydrophobicContact CB-CD1 3.96Å; L526-L671 HydrophobicContact CB-CG 4.42Å; L526-L671 HydrophobicContact CD2-CB 3.94Å; L526-L671 WeakPolarHBondContact CD2-O 3.24Å; L526-L671 HydrophobicContact CG-CB 4.37Å; L671-M674 HydrophobicContact CB-CE 4.3Å; L671-M674 HydrophobicContact CD2-CE 3.5Å; L671-M674 HydrophobicContact CG-CE 3.84Å; L671-T675 WeakPolarHBondContact O-CB 3.27Å; L671-T675 VanDerWaalsContact O-CG2 3.24Å; L671-T675 WeakPolarHBondContact O-CG2 3.38Å; L671-T675 PolarHBondContact O-N 2.93Å; L671-T675 PolarHBondContact O-OG1 3.2Å
672	Y	96.7	Very high	93.2	Very high	28 Å²	28	29.6 Å²	29.6	11%	0.11	16%	0.155	C	C	.	.	H	α-helix	trans	-64.7	-42.3	177.8	-172.4	-94.5	0	0	0	112.3	L526 R528 A535 Y570 L580 Q670 T675	L526-Y672 HydrophobicContact CD1-CD2 4.36Å; R528-Y672 PolarHBondContact NH1-O 3.38Å; A535-Y672 HydrophobicContact CB-CD2 4.28Å; A535-Y672 HydrophobicContact CB-CE2 4.09Å; Y570-Y672 VanDerWaalsContact CB-CE2 3.49Å; Y570-Y672 AromaticContact CD1-CD1 3.81Å; Y570-Y672 HydrophobicContact CD1-CD1 3.81Å; Y570-Y672 AromaticContact CD1-CD2 3.39Å; Y570-Y672 HydrophobicContact CD1-CD2 3.39Å; Y570-Y672 AromaticContact CD1-CE1 3.81Å; Y570-Y672 HydrophobicContact CD1-CE1 3.81Å; Y570-Y672 AromaticContact CD1-CE2 3.38Å; Y570-Y672 HydrophobicContact CD1-CE2 3.38Å; Y570-Y672 AromaticContact CD1-CG 3.6Å; Y570-Y672 HydrophobicContact CD1-CG 3.6Å; Y570-Y672 AromaticContact CD1-CZ 3.59Å; Y570-Y672 AromaticContact CD2-CD2 3.68Å; Y570-Y672 HydrophobicContact CD2-CD2 3.68Å; Y570-Y672 AromaticContact CD2-CE2 3.97Å; Y570-Y672 HydrophobicContact CD2-CE2 3.97Å; Y570-Y672 HydrophobicContact CD2-CG 4.42Å; Y570-Y672 AromaticContact CE1-CD1 3.69Å; Y570-Y672 HydrophobicContact CE1-CD1 3.69Å; Y570-Y672 AromaticContact CE1-CD2 3.58Å; Y570-Y672 HydrophobicContact CE1-CD2 3.58Å; Y570-Y672 HydrophobicContact CE1-CE1 4.15Å; Y570-Y672 HydrophobicContact CE1-CE2 4.06Å; Y570-Y672 AromaticContact CE1-CG 3.36Å; Y570-Y672 HydrophobicContact CE1-CG 3.36Å; Y570-Y672 AromaticContact CE2-CD2 3.86Å; Y570-Y672 HydrophobicContact CE2-CD2 3.86Å; Y570-Y672 HydrophobicContact CE2-CG 4.23Å; Y570-Y672 AromaticContact CG-CD2 3.45Å; Y570-Y672 HydrophobicContact CG-CD2 3.45Å; Y570-Y672 VanDerWaalsContact CG-CD2 3.45Å; Y570-Y672 AromaticContact CG-CE2 3.34Å; Y570-Y672 HydrophobicContact CG-CE2 3.34Å; Y570-Y672 HydrophobicContact CG-CG 4.14Å; Y570-Y672 AromaticContact CG-CZ 3.95Å; Y570-Y672 AromaticContact CZ-CD2 3.81Å; Y570-Y672 AromaticContact CZ-CG 3.71Å; L580-Y672 VanDerWaalsContact CD1-OH 3.27Å; L580-Y672 WeakPolarHBondContact CD1-OH 3.32Å; L580-Y672 HydrophobicContact CD2-CE1 3.81Å; Q670-Y672 PolarHBondContact O-N 2.86Å; Q670-Y672 VanDerWaalsContact O-N 3.15Å; Y672-T675 PolarHBondContact O-OG1 3.44Å
673	D	93.9	Very high	91.8	Very high	77 Å²	77	34.4 Å²	34.4	41%	0.412	17%	0.172	S	C	.	.	H	α-helix	trans	-74	-37.6	178.9	-62.3	-29.6	0	0	0	111.5	R354 Q670 T675 S676	R354-D673 PolarHBondContact NH1-O 3.23Å; R354-D673 VanDerWaalsContact NH1-O 3.11Å; Q670-D673 PolarHBondContact O-N 3.03Å; Q670-D673 VanDerWaalsContact O-N 3.07Å; D673-T675 VanDerWaalsContact C-N 3.26Å; D673-T675 PolarHBondContact O-N 2.9Å; D673-S676 WeakPolarHBondContact O-CB 3.25Å; D673-S676 PolarHBondContact O-N 2.67Å
674	M	94.1	Very high	91.5	Very high	8 Å²	8	34.8 Å²	34.8	4%	0.039	18%	0.175	C	C	.	.	H	α-helix	trans	-67	-26.1	176.4	-66.7	-172.7	-66.3	0	0	113	R354 L355 M357 F498 F669 Q670 L671	R354-M674 VanDerWaalsContact CD-O 3.29Å; R354-M674 WeakPolarHBondContact CD-O 3.14Å; L355-M674 HydrophobicContact CD1-CG 3.9Å; L355-M674 HydrophobicContact CD1-SD 3.33Å; L355-M674 WeakPolarHBondContact CD1-SD 3.47Å; M357-M674 HydrophobicContact CE-CB 4.25Å; M357-M674 HydrophobicContact CE-CE 4.25Å; M357-M674 HydrophobicContact CE-SD 4.16Å; F498-M674 HydrophobicContact CD1-CE 4.11Å; F498-M674 HydrophobicContact CD1-SD 4.28Å; F498-M674 HydrophobicContact CE1-CE 3.79Å; F498-M674 HydrophobicContact CE1-SD 3.73Å; F498-M674 HydrophobicContact CZ-SD 4.25Å; F669-M674 HydrophobicContact CB-CE 3.96Å; F669-M674 HydrophobicContact CB-SD 3.66Å; F669-M674 HydrophobicContact CD1-SD 3.89Å; F669-M674 HydrophobicContact CG-SD 4.13Å; Q670-M674 WeakPolarHBondContact O-CG 3Å; Q670-M674 PolarHBondContact O-N 3.3Å; L671-M674 HydrophobicContact CB-CE 4.3Å; L671-M674 HydrophobicContact CD2-CE 3.5Å; L671-M674 HydrophobicContact CG-CE 3.84Å
675	T	95.9	Very high	91.3	Very high	0 Å²	0	33 Å²	33	0%	0	17%	0.167	C	C	.	.	T	Hydrogen-bonded Turn	trans	-100.4	18.9	-179.7	59.5	0	0	0	0	113.1	Q359 Y506 L526 R528 L671 Y672 D673 D677 R678	Q359-T675 VanDerWaalsContact OE1-CA 3.28Å; Y506-T675 HydrophobicContact CD1-CG2 4Å; Y506-T675 HydrophobicContact CD2-CG2 3.79Å; Y506-T675 HydrophobicContact CE1-CG2 4.21Å; Y506-T675 HydrophobicContact CE2-CG2 4.02Å; Y506-T675 HydrophobicContact CG-CG2 3.79Å; L526-T675 HydrophobicContact CD2-CG2 4.19Å; L526-T675 VanDerWaalsContact CD2-OG1 3.22Å; L526-T675 WeakPolarHBondContact CD2-OG1 3.48Å; R528-T675 WeakPolarHBondContact CD-OG1 3.33Å; R528-T675 VanDerWaalsContact CZ-O 3.25Å; R528-T675 PolarHBondContact NH1-O 3.41Å; R528-T675 PolarHBondContact NH1-OG1 3.31Å; L671-T675 WeakPolarHBondContact O-CB 3.27Å; L671-T675 VanDerWaalsContact O-CG2 3.24Å; L671-T675 WeakPolarHBondContact O-CG2 3.38Å; L671-T675 PolarHBondContact O-N 2.93Å; L671-T675 PolarHBondContact O-OG1 3.2Å; Y672-T675 PolarHBondContact O-OG1 3.44Å; D673-T675 VanDerWaalsContact C-N 3.26Å; D673-T675 PolarHBondContact O-N 2.9Å; T675-D677 PolarHBondContact O-N 2.8Å; T675-D677 VanDerWaalsContact O-N 3.14Å; T675-R678 WeakPolarHBondContact O-CB 3.41Å; T675-R678 PolarHBondContact O-N 3.14Å
676	S	92.7	Very high	90.9	Very high	9 Å²	9	34.3 Å²	34.3	6%	0.063	17%	0.174	C	C	.	.	G	3₁₀ helix	trans	-56.7	-33.4	-174.3	71.5	0	0	0	0	113.3	R354 D673 R678 S679 F682	R354-S676 PolarHBondContact NH1-OG 3.16Å; D673-S676 WeakPolarHBondContact O-CB 3.25Å; D673-S676 PolarHBondContact O-N 2.67Å; S676-R678 PolarHBondContact O-N 2.97Å; S676-R678 VanDerWaalsContact O-N 3.11Å; S676-S679 PolarHBondContact O-N 2.92Å; S676-S679 VanDerWaalsContact O-N 3.07Å; S676-F682 VanDerWaalsContact CB-CD2 3.41Å; S676-F682 VanDerWaalsContact CB-CE2 3.43Å; S676-F682 WeakPolarHBondContact O-CB 2.89Å; S676-F682 VanDerWaalsContact OG-CE2 3.29Å; S676-F682 WeakPolarHBondContact OG-CE2 3.38Å; S676-F682 WeakPolarHBondContact OG-CZ 3.41Å
677	D	93.1	Very high	90.7	Very high	1 Å²	1	34.6 Å²	34.6	1%	0.005	17%	0.166	C	C	.	.	G	3₁₀ helix	trans	-63.4	-15.7	179.5	-62.8	-37.5	0	0	0	113	Q359 R388 R647 T675 S679	Q359-D677 HydrophobicContact CB-CB 4.03Å; Q359-D677 HydrophobicContact CG-CB 4.24Å; R388-D677 PolarHBondContact NH2-O 2.87Å; R647-D677 IonicContact CZ-OD1 2.67Å; R647-D677 IonicContact CZ-OD2 3.27Å; R647-D677 IonicContact NH1-OD1 3.74Å; R647-D677 PolarHBondContact NH1-OD1 3.32Å; R647-D677 IonicContact NH1-OD2 3.11Å; R647-D677 PolarHBondContact NH1-OD2 3.15Å; R647-D677 VanDerWaalsContact NH2-CG 3.32Å; R647-D677 IonicContact NH2-OD1 2.85Å; R647-D677 PolarHBondContact NH2-OD1 3.24Å; R647-D677 IonicContact NH2-OD2 3.77Å; R647-D677 PolarHBondContact NH2-OD2 3.29Å; T675-D677 PolarHBondContact O-N 2.8Å; T675-D677 VanDerWaalsContact O-N 3.14Å; D677-S679 PolarHBondContact O-N 3.37Å
678	R	94.5	Very high	90.4	Very high	1 Å²	1	35.2 Å²	35.2	0%	0.004	17%	0.17	C	C	.	.	G	3₁₀ helix	trans	-70.8	-12.7	173.6	-64.2	-177	62.4	77.1	-5.1	113.8	Q359 E390 G504 Y506 R528 L530 D531 T675 S676	Q359-R678 HydrophobicContact CB-CG 4.22Å; Q359-R678 WeakPolarHBondContact O-CG 3.41Å; Q359-R678 PolarHBondContact O-NH1 2.79Å; E390-R678 IonicContact OE1-CZ 3.5Å; E390-R678 IonicContact OE1-NH1 3.33Å; E390-R678 IonicContact OE1-NH2 4Å; E390-R678 PolarHBondContact OE1-NH2 2.95Å; E390-R678 IonicContact OE2-CZ 2.8Å; E390-R678 IonicContact OE2-NH1 2.61Å; E390-R678 PolarHBondContact OE2-NH1 3.16Å; E390-R678 IonicContact OE2-NH2 3.51Å; E390-R678 PolarHBondContact OE2-NH2 2.84Å; G504-R678 VanDerWaalsContact CA-NH2 3.32Å; Y506-R678 VanDerWaalsContact CE2-CD 3.47Å; Y506-R678 WeakPolarHBondContact OH-CD 3.47Å; Y506-R678 PolarHBondContact OH-NH1 3.19Å; Y506-R678 VanDerWaalsContact OH-NH1 3.15Å; R528-R678 PolarHBondContact O-NE 2.99Å; R528-R678 PolarHBondContact O-NH2 3.17Å; L530-R678 HydrophobicContact CD1-CB 4.46Å; D531-R678 PolarHBondContact N-O 3.19Å; D531-R678 VanDerWaalsContact OD1-O 3.11Å; T675-R678 WeakPolarHBondContact O-CB 3.41Å; T675-R678 PolarHBondContact O-N 3.14Å; S676-R678 PolarHBondContact O-N 2.97Å; S676-R678 VanDerWaalsContact O-N 3.11Å
679	S	92	Very high	90.1	Very high	23 Å²	23	32.7 Å²	32.7	16%	0.161	16%	0.161	C	C	.	.	S	Bend	trans	-95.1	124.3	174.7	-176.6	0	0	0	0	110.8	S676 D677 N681 F682	S676-S679 PolarHBondContact O-N 2.92Å; S676-S679 VanDerWaalsContact O-N 3.07Å; D677-S679 PolarHBondContact O-N 3.37Å; S679-N681 PolarHBondContact O-N 3.35Å; S679-N681 VanDerWaalsContact O-N 3.1Å; S679-N681 PolarHBondContact OG-N 2.89Å; S679-F682 WeakPolarHBondContact O-CB 3.37Å; S679-F682 PolarHBondContact O-N 2.76Å
680	V	85.6	Confident	89.6	Confident	66 Å²	66	33.2 Å²	33.2	40%	0.4	16%	0.164	S	C	.	.	T	Hydrogen-bonded Turn	trans	-56.1	-24.3	171.3	63.7	0	0	0	0	113.2	D531	D531-V680 WeakPolarHBondContact OD1-CA 3.49Å; D531-V680 VanDerWaalsContact OD1-CB 3.26Å; D531-V680 WeakPolarHBondContact OD1-CB 3.25Å; D531-V680 PolarHBondContact OD1-N 3.46Å
681	N	80.7	Confident	89	Confident	48 Å²	48	31.2 Å²	31.2	26%	0.257	16%	0.156	S	C	.	.	T	Hydrogen-bonded Turn	trans	-93.2	0.1	-179.2	-69.8	-24.4	0	0	0	112.8	R602 S679 R683	R602-N681 PolarHBondContact NH1-O 3.19Å; R602-N681 PolarHBondContact NH2-O 2.79Å; S679-N681 PolarHBondContact O-N 3.35Å; S679-N681 VanDerWaalsContact O-N 3.1Å; S679-N681 PolarHBondContact OG-N 2.89Å; N681-R683 PolarHBondContact O-N 3.25Å
682	F	74.8	Confident	88.3	Confident	42 Å²	42	33.8 Å²	33.8	18%	0.184	17%	0.169	C	C	.	.			trans	-62.8	123.1	173.7	-175	-99	0	0	0	108.8	R324 S676 S679	R324-F682 HydrophobicContact CG-CE1 4.44Å; R324-F682 WeakPolarHBondContact O-CD1 3.3Å; R324-F682 WeakPolarHBondContact O-CE1 3.26Å; S676-F682 VanDerWaalsContact CB-CD2 3.41Å; S676-F682 VanDerWaalsContact CB-CE2 3.43Å; S676-F682 WeakPolarHBondContact O-CB 2.89Å; S676-F682 VanDerWaalsContact OG-CE2 3.29Å; S676-F682 WeakPolarHBondContact OG-CE2 3.38Å; S676-F682 WeakPolarHBondContact OG-CZ 3.41Å; S679-F682 WeakPolarHBondContact O-CB 3.37Å; S679-F682 PolarHBondContact O-N 2.76Å
683	R	65.5	Low	87.5	Confident	103 Å²	103	34.4 Å²	34.4	39%	0.389	17%	0.174	S	C	.	.			trans	-133.3	0	-178.7	-78.9	-165.7	-173.6	172.2	6.7	110.9	R324 N681	R324-R683 VanDerWaalsContact C-OXT 3.26Å; R324-R683 WeakPolarHBondContact CB-OXT 3.26Å; R324-R683 VanDerWaalsContact CD-C 3.44Å; R324-R683 VanDerWaalsContact CD-O 3.26Å; R324-R683 WeakPolarHBondContact CD-O 2.83Å; R324-R683 WeakPolarHBondContact CD-OXT 3.28Å; R324-R683 WeakPolarHBondContact CG-OXT 3.36Å; R324-R683 PolarHBondContact NE-OXT 3.15Å; R324-R683 PolarHBondContact NH1-O 3.09Å; R324-R683 PolarHBondContact NH1-OXT 2.87Å; N681-R683 PolarHBondContact O-N 3.25Å

Retrieved 683 of 683 residues in 1818.8 ms (Link to these results)

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