A0A077ZA67_TRITR Loading...

Trypsin domain containing protein

AlphaFold DB , UniProt , Accession A0A077ZA67, Species TRITR (Trichuris trichiura, Whipworm), Gene n/a, Length 543 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	93	Very high	89.5	Confident	49 Å²	49	29 Å²	29	24%	0.241	18%	0.179	C	C	.	.				0	158	0	-81	-64	-74.5	0	0	110.1	V15 T114 Y116 L140 P179	M1-V15 HydrophobicContact SD-CB 4.49Å; M1-V15 HydrophobicContact SD-CG2 4.23Å; M1-T114 HydrophobicContact CE-CG2 3.92Å; M1-T114 HydrophobicContact CG-CG2 4.23Å; M1-T114 HydrophobicContact SD-CG2 3.62Å; M1-Y116 HydrophobicContact CB-CE2 3.9Å; M1-Y116 WeakPolarHBondContact CB-OH 3.02Å; M1-Y116 HydrophobicContact CE-CE2 4.42Å; M1-L140 HydrophobicContact CB-CD1 4.19Å; M1-L140 HydrophobicContact CE-CD1 4.34Å; M1-L140 HydrophobicContact CG-CD1 3.94Å; M1-P179 HydrophobicContact CE-CG 3.82Å; M1-P179 HydrophobicContact SD-CG 3.62Å
2	A	94.6	Very high	89.7	Confident	0 Å²	0	26.7 Å²	26.7	0%	0	16%	0.164	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-134.6	152	175.1	0	0	0	0	0	110.8	G14 V28 V45 L46 T47 Y116	A2-G14 PolarHBondContact N-O 3.01Å; A2-G14 CarbonylContact O-C 3.49Å; A2-G14 PolarHBondContact O-N 2.8Å; A2-V28 HydrophobicContact CB-CG1 4.18Å; A2-V28 HydrophobicContact CB-CG2 3.64Å; A2-V45 HydrophobicContact CB-CG1 4.33Å; A2-L46 CarbonylContact C-O 3.53Å; A2-L46 VanDerWaalsContact CA-O 3.28Å; A2-L46 WeakPolarHBondContact CA-O 3.48Å; A2-T47 HydrophobicContact CB-CG2 4Å; A2-Y116 WeakPolarHBondContact O-CE2 3.5Å
3	L	94	Very high	89.9	Confident	2 Å²	2	24.8 Å²	24.8	1%	0.01	15%	0.153	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-124.7	122.7	173.1	177.7	68.5	0	0	0	108.3	V5 V11 L46 I49 M55 Y116 V118 A138	L3-V5 HydrophobicContact CD2-CG2 3.9Å; L3-V5 HydrophobicContact CG-CG2 3.94Å; L3-V11 HydrophobicContact CD1-CB 4.27Å; L3-L46 HydrophobicContact CB-CB 4.44Å; L3-L46 PolarHBondContact N-O 3.12Å; L3-L46 PolarHBondContact O-N 3.21Å; L3-I49 HydrophobicContact CB-CD1 3.85Å; L3-I49 HydrophobicContact CD2-CD1 4.03Å; L3-M55 HydrophobicContact CD2-CE 3.29Å; L3-Y116 HydrophobicContact CB-CD2 3.77Å; L3-Y116 HydrophobicContact CB-CE2 3.97Å; L3-Y116 HydrophobicContact CB-CG 4.43Å; L3-Y116 HydrophobicContact CD1-CD2 4.1Å; L3-Y116 HydrophobicContact CD1-CG 4.3Å; L3-Y116 HydrophobicContact CG-CD2 4.44Å; L3-V118 HydrophobicContact CD1-CG2 4.35Å; L3-A138 HydrophobicContact CD2-CB 3.74Å
4	L	93.7	Very high	90.2	Very high	0 Å²	0	23 Å²	23	0%	0	14%	0.142	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-91.1	132.4	169.2	-55.8	83.2	0	0	0	108.2	V11 C12 V28 T30 W43 V44 V45 V82	L4-V11 CarbonylContact O-C 3.45Å; L4-V11 VanDerWaalsContact O-CA 3.31Å; L4-V11 WeakPolarHBondContact O-CA 3.07Å; L4-C12 HydrophobicContact CB-CB 4.19Å; L4-C12 HydrophobicContact CD1-CB 4.28Å; L4-C12 PolarHBondContact N-O 3.24Å; L4-C12 PolarHBondContact O-N 2.75Å; L4-V28 HydrophobicContact CD1-CG1 3.94Å; L4-T30 HydrophobicContact CD1-CG2 4.23Å; L4-T30 HydrophobicContact CD2-CG2 3.97Å; L4-W43 HydrophobicContact CB-CE3 3.68Å; L4-W43 HydrophobicContact CB-CZ3 3.98Å; L4-V44 CarbonylContact C-O 3.49Å; L4-V44 WeakPolarHBondContact CA-O 3.44Å; L4-V45 HydrophobicContact CG-CG2 4.36Å; L4-V82 HydrophobicContact CD2-CB 4.01Å; L4-V82 HydrophobicContact CD2-CG1 3.9Å; L4-V82 HydrophobicContact CD2-CG2 3.79Å
5	V	92.2	Very high	90.5	Very high	1 Å²	1	21.7 Å²	21.7	1%	0.006	13%	0.134	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-123.2	125.2	175.5	-176.5	0	0	0	0	108.1	L3 V11 W43 V44 L46 I132	L3-V5 HydrophobicContact CD2-CG2 3.9Å; L3-V5 HydrophobicContact CG-CG2 3.94Å; V5-V11 HydrophobicContact CG1-CG1 4.34Å; V5-V11 HydrophobicContact CG2-CG1 4.17Å; V5-W43 VanDerWaalsContact C-CE3 3.47Å; V5-W43 WeakPolarHBondContact O-CA 3.34Å; V5-V44 HydrophobicContact CB-CG2 4.01Å; V5-V44 PolarHBondContact N-O 2.88Å; V5-V44 PolarHBondContact O-N 3.49Å; V5-L46 HydrophobicContact CB-CD1 4.16Å; V5-L46 HydrophobicContact CG2-CD1 3.53Å; V5-I132 HydrophobicContact CG1-CG2 4.48Å
6	H	90.9	Very high	90.8	Very high	22 Å²	22	20.5 Å²	20.5	10%	0.102	13%	0.126	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-87.3	145.1	171.8	-175.2	-129.8	0	0	0	109.5	G8 G9 D10 G38 W43	H6-G8 PolarHBondContact ND1-N 2.89Å; H6-G8 PolarHBondContact O-N 3.44Å; H6-G9 PolarHBondContact O-N 2.74Å; H6-D10 HydrophobicContact CB-CB 3.97Å; H6-D10 PolarHBondContact N-O 3.23Å; H6-G38 WeakPolarHBondContact NE2-CA 3.45Å; H6-W43 HydrophobicContact CB-CD2 3.72Å; H6-W43 HydrophobicContact CB-CE3 3.72Å; H6-W43 HydrophobicContact CB-CG 4.41Å; H6-W43 HydrophobicContact CB-CH2 3.84Å; H6-W43 HydrophobicContact CB-CZ2 3.84Å; H6-W43 HydrophobicContact CB-CZ3 3.78Å; H6-W43 AromaticContact CD2-CD1 3.83Å; H6-W43 AromaticContact CD2-CE2 3.99Å; H6-W43 AromaticContact CD2-NE1 3.76Å; H6-W43 VanDerWaalsContact N-CE3 3.31Å
7	K	84.5	Confident	91	Very high	89 Å²	89	19.4 Å²	19.4	39%	0.387	12%	0.119	S	C	.	.	T	Hydrogen-bonded Turn	trans	-53.5	-25.7	172.7	177.9	165.1	142.2	-92.8	0	114	G9 E42	K7-G9 VanDerWaalsContact C-N 3.25Å; K7-G9 PolarHBondContact O-N 3.09Å; K7-E42 HydrophobicContact CB-CB 4.12Å; K7-E42 PolarHBondContact N-O 2.93Å; K7-E42 IonicContact NZ-OE1 3.46Å; K7-E42 PolarHBondContact NZ-OE1 3.35Å; K7-E42 IonicContact NZ-OE2 3.57Å; K7-E42 PolarHBondContact NZ-OE2 2.99Å
8	G	80.6	Confident	90.9	Very high	60 Å²	60	21.2 Å²	21.2	62%	0.619	13%	0.131	S	C	*	.	T	Hydrogen-bonded Turn	trans	-77.2	4.3	172.2	0	0	0	0	0	115.9	H6	H6-G8 PolarHBondContact ND1-N 2.89Å; H6-G8 PolarHBondContact O-N 3.44Å
9	G	83.1	Confident	90.7	Very high	12 Å²	12	21.1 Å²	21.1	12%	0.124	13%	0.13	C	C	.	.	S	Bend	trans	83.6	2.1	179.9	0	0	0	0	0	115.4	H6 K7 R120	H6-G9 PolarHBondContact O-N 2.74Å; K7-G9 VanDerWaalsContact C-N 3.25Å; K7-G9 PolarHBondContact O-N 3.09Å; G9-R120 PolarHBondContact O-NH2 3.04Å
10	D	87.5	Confident	90.3	Very high	47 Å²	47	23.9 Å²	23.9	25%	0.251	15%	0.151	S	C	.	.			trans	-69.8	148.9	167.5	-98.2	-62.1	0	0	0	111.6	H6 K37 W43	H6-D10 HydrophobicContact CB-CB 3.97Å; H6-D10 PolarHBondContact N-O 3.23Å; D10-K37 HydrophobicContact CB-CD 4.21Å; D10-K37 VanDerWaalsContact OD1-CD 3.23Å; D10-K37 WeakPolarHBondContact OD1-CD 3.32Å; D10-K37 IonicContact OD1-NZ 2.65Å; D10-K37 PolarHBondContact OD1-NZ 2.85Å; D10-W43 HydrophobicContact CB-CH2 4.12Å
11	V	90.4	Very high	89.9	Confident	37 Å²	37	27.5 Å²	27.5	22%	0.224	17%	0.165	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-140.4	140.8	-174.8	-67.7	0	0	0	0	111.4	L3 L4 V5 C34 V118 V135	L3-V11 HydrophobicContact CD1-CB 4.27Å; L4-V11 CarbonylContact O-C 3.45Å; L4-V11 VanDerWaalsContact O-CA 3.31Å; L4-V11 WeakPolarHBondContact O-CA 3.07Å; V5-V11 HydrophobicContact CG1-CG1 4.34Å; V5-V11 HydrophobicContact CG2-CG1 4.17Å; V11-C34 PolarHBondContact O-SG 3.36Å; V11-C34 VanDerWaalsContact O-SG 3.38Å; V11-V118 HydrophobicContact CB-CG2 4.49Å; V11-V118 HydrophobicContact CG1-CG1 4.39Å; V11-V118 HydrophobicContact CG2-CB 4.5Å; V11-V118 HydrophobicContact CG2-CG2 4.16Å; V11-V135 HydrophobicContact CG1-CG2 4.22Å
12	C	91.6	Very high	89.6	Confident	1 Å²	1	35.7 Å²	35.7	1%	0.007	19%	0.193	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-132.7	132.2	178.9	-55	0	0	0	0	111.5	L4 C34 W43	L4-C12 HydrophobicContact CB-CB 4.19Å; L4-C12 HydrophobicContact CD1-CB 4.28Å; L4-C12 PolarHBondContact N-O 3.24Å; L4-C12 PolarHBondContact O-N 2.75Å; C12-C34 WeakPolarHBondContact CA-SG 3.39Å; C12-C34 HydrophobicContact CB-CB 3.9Å; C12-C34 WeakPolarHBondContact CB-SG 3.45Å; C12-C34 WeakPolarHBondContact SG-CB 3.4Å; C12-C34 PolarHBondContact SG-O 2.98Å; C12-C34 CovalentContact SG-SG 2.03Å; C12-C34 PolarHBondContact SG-SG 2.79Å; C12-W43 HydrophobicContact CB-CZ3 4.39Å; C12-W43 WeakPolarHBondContact SG-CH2 3.2Å
13	S	92.4	Very high	89.5	Confident	2 Å²	2	41 Å²	41	1%	0.014	22%	0.221	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-63.8	139.8	165.7	-67.2	0	0	0	0	109.7	T30 Y116 S175 S178	S13-T30 PolarHBondContact O-OG1 3.04Å; S13-Y116 PolarHBondContact OG-N 3.12Å; S13-S175 PolarHBondContact OG-OG 3.48Å; S13-S178 PolarHBondContact OG-OG 3.31Å
14	G	93.7	Very high	89.5	Confident	0 Å²	0	41.1 Å²	41.1	0%	0	22%	0.222	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-149	170.7	173.7	0	0	0	0	0	112.6	A2 V29	A2-G14 PolarHBondContact N-O 3.01Å; A2-G14 CarbonylContact O-C 3.49Å; A2-G14 PolarHBondContact O-N 2.8Å; G14-V29 CarbonylContact C-O 3.53Å; G14-V29 WeakPolarHBondContact CA-O 3.42Å
15	V	95.1	Very high	89.5	Confident	3 Å²	3	41.1 Å²	41.1	2%	0.018	22%	0.222	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-135.6	133.9	178.6	75.3	0	0	0	0	111.4	M1 V28 V29 V97 P179 L190	M1-V15 HydrophobicContact SD-CB 4.49Å; M1-V15 HydrophobicContact SD-CG2 4.23Å; V15-V28 CarbonylContact O-C 3.55Å; V15-V28 VanDerWaalsContact O-CA 3.3Å; V15-V28 WeakPolarHBondContact O-CA 3.46Å; V15-V29 HydrophobicContact CG1-CB 4.05Å; V15-V29 PolarHBondContact N-O 2.84Å; V15-V29 PolarHBondContact O-N 2.91Å; V15-V97 HydrophobicContact CB-CG2 4.37Å; V15-V97 HydrophobicContact CG1-CG2 3.94Å; V15-V97 HydrophobicContact CG2-CB 4.14Å; V15-V97 HydrophobicContact CG2-CG1 3.49Å; V15-V97 VanDerWaalsContact CG2-CG1 3.49Å; V15-V97 HydrophobicContact CG2-CG2 3.52Å; V15-P179 HydrophobicContact CB-CB 4.23Å; V15-P179 HydrophobicContact CB-CG 4.11Å; V15-P179 HydrophobicContact CG1-CB 4.27Å; V15-L190 HydrophobicContact CG1-CD1 4.25Å; V15-L190 HydrophobicContact CG1-CD2 3.93Å
16	L	95.9	Very high	89.6	Confident	3 Å²	3	42.9 Å²	42.9	2%	0.016	23%	0.23	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-70.3	131.8	177.7	-168.5	70.2	0	0	0	109.1	V28 F84 V88 F90 V94 P96 V97	L16-V28 HydrophobicContact CB-CG2 4.36Å; L16-V28 HydrophobicContact CD1-CG2 3.92Å; L16-F84 HydrophobicContact CD1-CE1 4.24Å; L16-F84 HydrophobicContact CD1-CZ 3.71Å; L16-V88 HydrophobicContact CD1-CG2 3.75Å; L16-V88 HydrophobicContact CD2-CG2 3.86Å; L16-V88 HydrophobicContact CG-CG2 4.49Å; L16-F90 HydrophobicContact CD2-CD1 4.34Å; L16-F90 HydrophobicContact CD2-CE1 4.01Å; L16-V94 HydrophobicContact CD2-CG1 3.73Å; L16-P96 HydrophobicContact CG-CB 4.4Å; L16-P96 CarbonylContact O-C 3.54Å; L16-P96 WeakPolarHBondContact O-CA 3.24Å; L16-V97 PolarHBondContact O-N 3.1Å
17	I	93.8	Very high	89.8	Confident	1 Å²	1	42 Å²	42	1%	0.005	23%	0.226	C	C	.	.			trans	-114	156	178.4	55.2	163.3	0	0	0	110.6	S25 G27 V29 F81 V97 L99 F285	I17-S25 VanDerWaalsContact O-CB 3.24Å; I17-S25 WeakPolarHBondContact O-CB 3.44Å; I17-S25 PolarHBondContact O-OG 3.03Å; I17-G27 VanDerWaalsContact CG1-O 3.31Å; I17-G27 WeakPolarHBondContact CG1-O 3.4Å; I17-G27 PolarHBondContact N-O 2.98Å; I17-G27 VanDerWaalsContact N-O 3.14Å; I17-V29 HydrophobicContact CD1-CG2 4.01Å; I17-V29 HydrophobicContact CG1-CG2 4.46Å; I17-V29 HydrophobicContact CG2-CB 4.33Å; I17-V29 HydrophobicContact CG2-CG2 3.73Å; I17-F81 HydrophobicContact CD1-CD1 3.84Å; I17-F81 HydrophobicContact CD1-CE1 4.02Å; I17-V97 HydrophobicContact CG2-CG2 4.49Å; I17-L99 HydrophobicContact CG2-CD2 3.92Å; I17-F285 HydrophobicContact CD1-CD1 4.11Å; I17-F285 HydrophobicContact CD1-CE1 3.34Å; I17-F285 HydrophobicContact CD1-CE2 4.45Å; I17-F285 HydrophobicContact CD1-CZ 3.56Å; I17-F285 HydrophobicContact CG1-CE1 4.01Å; I17-F285 HydrophobicContact CG1-CZ 4.45Å
18	P	89.4	Confident	90.3	Very high	52 Å²	52	37.7 Å²	37.7	34%	0.338	21%	0.208	S	C	.	.			trans	-61.3	150.5	170.7	28.4	-36.9	0	0	0	110	V97 L99 F285	P18-V97 WeakPolarHBondContact CD-O 3.4Å; P18-L99 HydrophobicContact CG-CD1 4.38Å; P18-F285 WeakPolarHBondContact O-CD1 3.42Å; P18-F285 WeakPolarHBondContact O-CE1 3.36Å
19	T	87.8	Confident	90.9	Very high	19 Å²	19	34.9 Å²	34.9	12%	0.117	18%	0.178	C	C	.	.			trans	-126.1	176.4	172.7	63.5	0	0	0	0	109.2	K21 S24 S25 F26 F285	T19-K21 PolarHBondContact O-N 2.8Å; T19-K21 VanDerWaalsContact O-N 3.13Å; T19-K21 PolarHBondContact OG1-N 3.5Å; T19-S24 PolarHBondContact OG1-O 3.12Å; T19-S25 WeakPolarHBondContact CG2-OG 3.44Å; T19-F26 VanDerWaalsContact CB-CE1 3.41Å; T19-F26 HydrophobicContact CG2-CD1 3.79Å; T19-F26 HydrophobicContact CG2-CE1 3.71Å; T19-F26 HydrophobicContact CG2-CE2 4.46Å; T19-F26 HydrophobicContact CG2-CG 4.2Å; T19-F26 HydrophobicContact CG2-CZ 4.07Å; T19-F26 WeakPolarHBondContact OG1-CE1 3.28Å; T19-F285 HydrophobicContact CG2-CE1 3.8Å; T19-F285 HydrophobicContact CG2-CZ 4.41Å
20	S	81.2	Confident	91.3	Very high	78 Å²	78	34.3 Å²	34.3	55%	0.545	17%	0.173	S	C	.	.	S	Bend	trans	-61.1	-12.5	171.7	49.1	0	0	0	0	114.8	D283 L284	S20-D283 WeakPolarHBondContact CB-O 3.22Å; S20-D283 PolarHBondContact OG-O 2.77Å; S20-L284 PolarHBondContact N-O 2.86Å
21	K	82.5	Confident	91.4	Very high	100 Å²	100	32.1 Å²	32.1	44%	0.435	16%	0.161	S	C	.	.	S	Bend	trans	-84.3	134.9	173.7	-68.2	-168.3	-178.1	-168.8	0	112.8	T19 S24 F26 E87	T19-K21 PolarHBondContact O-N 2.8Å; T19-K21 VanDerWaalsContact O-N 3.13Å; T19-K21 PolarHBondContact OG1-N 3.5Å; K21-S24 WeakPolarHBondContact CB-OG 3.44Å; K21-F26 HydrophobicContact CD-CD1 4.24Å; K21-F26 HydrophobicContact CD-CE1 4.27Å; K21-F26 HydrophobicContact CG-CD1 4.46Å; K21-F26 HydrophobicContact CG-CE1 4.08Å; K21-E87 WeakPolarHBondContact CD-OE1 3.47Å; K21-E87 WeakPolarHBondContact CD-OE2 3.48Å; K21-E87 WeakPolarHBondContact CE-OE2 3.44Å; K21-E87 IonicContact NZ-OE1 2.73Å; K21-E87 IonicContact NZ-OE2 3.51Å; K21-E87 PolarHBondContact NZ-OE2 2.87Å
22	R	86	Confident	91.3	Very high	221 Å²	221	31 Å²	31	83%	0.834	16%	0.155	S	C	*	.	T	Hydrogen-bonded Turn	trans	-76.4	131.1	178	-173.7	177.2	-175.9	-175.1	3.5	110.9	S24	R22-S24 PolarHBondContact O-N 2.8Å
23	N	92.5	Very high	91.1	Very high	110 Å²	110	33.7 Å²	33.7	59%	0.588	17%	0.173	S	C	*	.	T	Hydrogen-bonded Turn	trans	62.1	16.8	177.8	-56.5	-4.3	0	0	0	115.3	F90	N23-F90 PolarHBondContact O-N 3.42Å
24	S	94	Very high	90.9	Very high	5 Å²	5	33.7 Å²	33.7	4%	0.035	17%	0.174	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-146.4	165	173.3	64.8	0	0	0	0	111.9	T19 K21 R22 E87 V88 F90	T19-S24 PolarHBondContact OG1-O 3.12Å; K21-S24 WeakPolarHBondContact CB-OG 3.44Å; R22-S24 PolarHBondContact O-N 2.8Å; S24-E87 VanDerWaalsContact CB-OE1 3.25Å; S24-E87 WeakPolarHBondContact CB-OE1 3.36Å; S24-E87 PolarHBondContact OG-OE1 3.44Å; S24-V88 VanDerWaalsContact CA-O 3.26Å; S24-V88 WeakPolarHBondContact CA-O 3.5Å; S24-F90 WeakPolarHBondContact O-CZ 3.41Å
25	S	94.6	Very high	90.6	Very high	0 Å²	0	34.5 Å²	34.5	0%	0	18%	0.177	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-141.8	143.2	169.3	174.9	0	0	0	0	111.6	I17 T19 G27 F84 E87 V88	I17-S25 VanDerWaalsContact O-CB 3.24Å; I17-S25 WeakPolarHBondContact O-CB 3.44Å; I17-S25 PolarHBondContact O-OG 3.03Å; T19-S25 WeakPolarHBondContact CG2-OG 3.44Å; S25-G27 PolarHBondContact OG-N 2.97Å; S25-G27 VanDerWaalsContact OG-N 3.09Å; S25-G27 PolarHBondContact OG-O 2.84Å; S25-F84 VanDerWaalsContact O-CE2 3.32Å; S25-F84 WeakPolarHBondContact O-CE2 3.43Å; S25-F84 WeakPolarHBondContact O-CZ 3.43Å; S25-E87 WeakPolarHBondContact O-CA 3.36Å; S25-V88 PolarHBondContact N-O 3.12Å; S25-V88 WeakPolarHBondContact O-CG2 3.31Å; S25-V88 PolarHBondContact O-N 2.83Å
26	F	94.4	Very high	90.3	Very high	39 Å²	39	38.4 Å²	38.4	17%	0.171	20%	0.204	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-116.3	14.8	172.2	59.5	-86.3	0	0	0	111.6	T19 K21 F83 F84 E87	T19-F26 VanDerWaalsContact CB-CE1 3.41Å; T19-F26 HydrophobicContact CG2-CD1 3.79Å; T19-F26 HydrophobicContact CG2-CE1 3.71Å; T19-F26 HydrophobicContact CG2-CE2 4.46Å; T19-F26 HydrophobicContact CG2-CG 4.2Å; T19-F26 HydrophobicContact CG2-CZ 4.07Å; T19-F26 WeakPolarHBondContact OG1-CE1 3.28Å; K21-F26 HydrophobicContact CD-CD1 4.24Å; K21-F26 HydrophobicContact CD-CE1 4.27Å; K21-F26 HydrophobicContact CG-CD1 4.46Å; K21-F26 HydrophobicContact CG-CE1 4.08Å; F26-F83 AromaticContact CD2-CD1 3.88Å; F26-F83 HydrophobicContact CD2-CD1 3.88Å; F26-F83 AromaticContact CE2-CD1 3.89Å; F26-F83 HydrophobicContact CE2-CD1 3.89Å; F26-F83 HydrophobicContact CE2-CE1 4.32Å; F26-F83 CarbonylContact O-C 3.58Å; F26-F83 WeakPolarHBondContact O-CA 3.26Å; F26-F84 WeakPolarHBondContact CB-O 3.22Å; F26-F84 WeakPolarHBondContact O-CD1 3.44Å; F26-F84 PolarHBondContact O-N 3.37Å; F26-E87 HydrophobicContact CB-CB 4.02Å
27	G	94	Very high	89.9	Confident	2 Å²	2	43.4 Å²	43.4	2%	0.021	23%	0.226	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-132.9	131.5	-174.2	0	0	0	0	0	114.3	I17 S25	I17-G27 VanDerWaalsContact CG1-O 3.31Å; I17-G27 WeakPolarHBondContact CG1-O 3.4Å; I17-G27 PolarHBondContact N-O 2.98Å; I17-G27 VanDerWaalsContact N-O 3.14Å; S25-G27 PolarHBondContact OG-N 2.97Å; S25-G27 VanDerWaalsContact OG-N 3.09Å; S25-G27 PolarHBondContact OG-O 2.84Å
28	V	95.4	Very high	89.5	Confident	0 Å²	0	44.1 Å²	44.1	0%	0	23%	0.234	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-126.6	138.3	176.1	152.1	0	0	0	0	110.1	A2 L4 V15 L16 V45 V82 F84	A2-V28 HydrophobicContact CB-CG1 4.18Å; A2-V28 HydrophobicContact CB-CG2 3.64Å; L4-V28 HydrophobicContact CD1-CG1 3.94Å; V15-V28 CarbonylContact O-C 3.55Å; V15-V28 VanDerWaalsContact O-CA 3.3Å; V15-V28 WeakPolarHBondContact O-CA 3.46Å; L16-V28 HydrophobicContact CB-CG2 4.36Å; L16-V28 HydrophobicContact CD1-CG2 3.92Å; V28-V45 HydrophobicContact CG2-CG1 4.03Å; V28-V82 PolarHBondContact N-O 3.06Å; V28-V82 PolarHBondContact O-N 2.84Å; V28-F84 HydrophobicContact CB-CE1 4.08Å; V28-F84 HydrophobicContact CG2-CE1 3.72Å; V28-F84 HydrophobicContact CG2-CZ 4.45Å
29	V	92.9	Very high	89.5	Confident	1 Å²	1	46.7 Å²	46.7	1%	0.006	25%	0.245	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-90.9	135.2	169	166	0	0	0	0	109.8	G14 V15 I17 V79 F81 L190 T193 F209	G14-V29 CarbonylContact C-O 3.53Å; G14-V29 WeakPolarHBondContact CA-O 3.42Å; V15-V29 HydrophobicContact CG1-CB 4.05Å; V15-V29 PolarHBondContact N-O 2.84Å; V15-V29 PolarHBondContact O-N 2.91Å; I17-V29 HydrophobicContact CD1-CG2 4.01Å; I17-V29 HydrophobicContact CG1-CG2 4.46Å; I17-V29 HydrophobicContact CG2-CB 4.33Å; I17-V29 HydrophobicContact CG2-CG2 3.73Å; V29-V79 HydrophobicContact CG1-CG1 4.32Å; V29-F81 HydrophobicContact CG2-CD1 3.7Å; V29-F81 HydrophobicContact CG2-CE1 3.61Å; V29-F81 HydrophobicContact CG2-CZ 4.44Å; V29-L190 HydrophobicContact CB-CD2 4.45Å; V29-L190 HydrophobicContact CG1-CD2 4.11Å; V29-T193 HydrophobicContact CG1-CG2 4.24Å; V29-F209 HydrophobicContact CG1-CE1 3.57Å; V29-F209 HydrophobicContact CG1-CZ 3.4Å; V29-F209 VanDerWaalsContact CG1-CZ 3.4Å; V29-F209 HydrophobicContact CG2-CE1 4.23Å
30	T	92.5	Very high	89.7	Confident	0 Å²	0	47.3 Å²	47.3	0%	0	25%	0.247	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-147.6	-171.7	175.3	-169	0	0	0	0	110.9	L4 S13 Q35 V79 A80 V82	L4-T30 HydrophobicContact CD1-CG2 4.23Å; L4-T30 HydrophobicContact CD2-CG2 3.97Å; S13-T30 PolarHBondContact O-OG1 3.04Å; T30-Q35 HydrophobicContact CG2-CB 4.26Å; T30-V79 CarbonylContact O-C 3.56Å; T30-V79 WeakPolarHBondContact O-CA 3.4Å; T30-A80 HydrophobicContact CG2-CB 4.32Å; T30-A80 PolarHBondContact N-O 3.01Å; T30-A80 PolarHBondContact O-N 2.75Å; T30-V82 HydrophobicContact CG2-CG2 3.87Å
31	S	89.4	Confident	90	Very high	0 Å²	0	44.8 Å²	44.8	0%	0	23%	0.233	C	C	.	.			trans	-80.9	135.2	173.1	155.5	0	0	0	0	111.2	S33 C34 Q35 D78	S31-S33 PolarHBondContact OG-N 3.26Å; S31-S33 PolarHBondContact OG-OG 2.82Å; S31-C34 PolarHBondContact O-N 3.09Å; S31-C34 WeakPolarHBondContact OG-CB 3.23Å; S31-C34 PolarHBondContact OG-N 2.91Å; S31-Q35 PolarHBondContact O-N 2.91Å; S31-D78 WeakPolarHBondContact CB-OD2 3.44Å; S31-D78 PolarHBondContact OG-OD1 3.15Å; S31-D78 PolarHBondContact OG-OD2 2.81Å
32	S	89.1	Confident	90.4	Very high	15 Å²	15	43.6 Å²	43.6	11%	0.105	23%	0.229	C	C	.	.	H	α-helix	trans	-67.9	-45.7	175.8	47	0	0	0	0	111.8	C34 Q35 S36 D78 V79	S32-C34 PolarHBondContact O-N 3Å; S32-Q35 PolarHBondContact O-N 2.62Å; S32-S36 VanDerWaalsContact O-CB 3.25Å; S32-S36 WeakPolarHBondContact O-CB 3.27Å; S32-S36 PolarHBondContact O-N 3.33Å; S32-S36 PolarHBondContact O-OG 3.36Å; S32-D78 PolarHBondContact N-OD1 2.76Å; S32-D78 WeakPolarHBondContact OG-CA 3.41Å; S32-D78 PolarHBondContact OG-OD1 2.61Å; S32-V79 WeakPolarHBondContact CB-O 3.4Å; S32-V79 PolarHBondContact OG-N 3.5Å
33	S	87.8	Confident	90.7	Very high	56 Å²	56	33 Å²	33	39%	0.392	19%	0.189	S	C	.	.	H	α-helix	trans	-66.1	-20.3	177.9	61.8	0	0	0	0	113.9	S31 S36 D78 I176	S31-S33 PolarHBondContact OG-N 3.26Å; S31-S33 PolarHBondContact OG-OG 2.82Å; S33-S36 PolarHBondContact O-OG 2.97Å; S33-D78 VanDerWaalsContact CB-OD1 3.28Å; S33-D78 WeakPolarHBondContact CB-OD1 3.32Å; S33-D78 PolarHBondContact N-OD1 2.97Å; S33-D78 PolarHBondContact OG-OD1 2.69Å; S33-I176 WeakPolarHBondContact OG-CD1 3.4Å
34	C	87.9	Confident	90.8	Very high	3 Å²	3	28 Å²	28	2%	0.02	16%	0.162	C	C	.	.	H	α-helix	trans	-81.4	-48.3	170.8	-163.6	0	0	0	0	112.1	V11 C12 S31 S32 S36 K37 W43 I176	V11-C34 PolarHBondContact O-SG 3.36Å; V11-C34 VanDerWaalsContact O-SG 3.38Å; C12-C34 WeakPolarHBondContact CA-SG 3.39Å; C12-C34 HydrophobicContact CB-CB 3.9Å; C12-C34 WeakPolarHBondContact CB-SG 3.45Å; C12-C34 WeakPolarHBondContact SG-CB 3.4Å; C12-C34 PolarHBondContact SG-O 2.98Å; C12-C34 CovalentContact SG-SG 2.03Å; C12-C34 PolarHBondContact SG-SG 2.79Å; S31-C34 PolarHBondContact O-N 3.09Å; S31-C34 WeakPolarHBondContact OG-CB 3.23Å; S31-C34 PolarHBondContact OG-N 2.91Å; S32-C34 PolarHBondContact O-N 3Å; C34-S36 VanDerWaalsContact C-N 3.34Å; C34-S36 PolarHBondContact O-N 3.06Å; C34-K37 WeakPolarHBondContact O-CG 3.43Å; C34-W43 WeakPolarHBondContact O-CZ2 3.37Å; C34-I176 HydrophobicContact CB-CG2 4.1Å
35	Q	87.3	Confident	90.8	Very high	17 Å²	17	27.8 Å²	27.8	8%	0.079	16%	0.161	C	C	.	.	H	α-helix	trans	-65.6	-35.6	179.1	-178	-86.6	-66.5	0	0	112.4	T30 S31 S32 K37 G38 I40 W43 S68 V82	T30-Q35 HydrophobicContact CG2-CB 4.26Å; S31-Q35 PolarHBondContact O-N 2.91Å; S32-Q35 PolarHBondContact O-N 2.62Å; Q35-K37 PolarHBondContact O-N 3.05Å; Q35-G38 PolarHBondContact O-N 3.06Å; Q35-I40 HydrophobicContact CG-CD1 4.17Å; Q35-W43 VanDerWaalsContact O-CZ2 3.32Å; Q35-W43 WeakPolarHBondContact O-CZ2 3.35Å; Q35-W43 PolarHBondContact O-NE1 2.77Å; Q35-S68 VanDerWaalsContact OE1-CB 3.23Å; Q35-S68 PolarHBondContact OE1-OG 3.08Å; Q35-V82 HydrophobicContact CG-CG2 3.84Å
36	S	88.4	Confident	90.8	Very high	84 Å²	84	27.8 Å²	27.8	59%	0.587	16%	0.161	S	C	*	.	T	Hydrogen-bonded Turn	trans	-66.7	-1.6	-176.2	68.4	0	0	0	0	115.1	S32 S33 C34 G38	S32-S36 VanDerWaalsContact O-CB 3.25Å; S32-S36 WeakPolarHBondContact O-CB 3.27Å; S32-S36 PolarHBondContact O-N 3.33Å; S32-S36 PolarHBondContact O-OG 3.36Å; S33-S36 PolarHBondContact O-OG 2.97Å; C34-S36 VanDerWaalsContact C-N 3.34Å; C34-S36 PolarHBondContact O-N 3.06Å; S36-G38 VanDerWaalsContact C-N 3.27Å; S36-G38 PolarHBondContact O-N 2.91Å
37	K	87.2	Confident	90.9	Very high	108 Å²	108	26 Å²	26	47%	0.47	15%	0.153	S	C	.	.	T	Hydrogen-bonded Turn	trans	-73	-14.3	177.6	-64.6	179.4	176.7	177.7	0	114.5	D10 C34 Q35 W43	D10-K37 HydrophobicContact CB-CD 4.21Å; D10-K37 VanDerWaalsContact OD1-CD 3.23Å; D10-K37 WeakPolarHBondContact OD1-CD 3.32Å; D10-K37 IonicContact OD1-NZ 2.65Å; D10-K37 PolarHBondContact OD1-NZ 2.85Å; C34-K37 WeakPolarHBondContact O-CG 3.43Å; Q35-K37 PolarHBondContact O-N 3.05Å; K37-W43 HydrophobicContact CB-CZ2 4.41Å
38	G	85.7	Confident	90.9	Very high	16 Å²	16	26.1 Å²	26.1	17%	0.165	16%	0.155	C	C	.	.	S	Bend	trans	-156.5	158	-175.6	0	0	0	0	0	112.9	H6 Q35 S36 I40 W43	H6-G38 WeakPolarHBondContact NE2-CA 3.45Å; Q35-G38 PolarHBondContact O-N 3.06Å; S36-G38 VanDerWaalsContact C-N 3.27Å; S36-G38 PolarHBondContact O-N 2.91Å; G38-I40 PolarHBondContact O-N 2.92Å; G38-W43 PolarHBondContact O-NE1 2.97Å; G38-W43 VanDerWaalsContact O-NE1 3.1Å
39	D	89.7	Confident	90.7	Very high	107 Å²	107	27 Å²	27	57%	0.572	16%	0.16	S	C	*	.			trans	-56.6	128.1	175.9	-179.3	-10.2	0	0	0	109.7	G41 E42	D39-G41 PolarHBondContact O-N 3.35Å; D39-G41 VanDerWaalsContact O-N 3.07Å; D39-G41 PolarHBondContact OD1-N 3.48Å; D39-E42 HydrophobicContact CB-CG 4.45Å; D39-E42 PolarHBondContact O-N 3.27Å
40	I	90.9	Very high	90.4	Very high	31 Å²	31	27.6 Å²	27.6	16%	0.159	17%	0.165	C	C	.	.	G	3₁₀ helix	trans	-52.4	-31.9	178.1	-164.9	59	0	0	0	112.1	Q35 G38 E42 W43 A65 V82	Q35-I40 HydrophobicContact CG-CD1 4.17Å; G38-I40 PolarHBondContact O-N 2.92Å; I40-E42 PolarHBondContact O-N 3.03Å; I40-W43 PolarHBondContact O-N 2.82Å; I40-A65 HydrophobicContact CD1-CB 3.69Å; I40-A65 HydrophobicContact CG1-CB 4.04Å; I40-A65 WeakPolarHBondContact O-CB 3.06Å; I40-V82 HydrophobicContact CD1-CG1 4.05Å; I40-V82 HydrophobicContact CD1-CG2 4.22Å
41	G	88.9	Confident	90.1	Very high	25 Å²	25	34.3 Å²	34.3	26%	0.258	21%	0.209	S	C	.	.	G	3₁₀ helix	trans	-69.8	-6.5	175.2	0	0	0	0	0	115.8	D39 K64	D39-G41 PolarHBondContact O-N 3.35Å; D39-G41 VanDerWaalsContact O-N 3.07Å; D39-G41 PolarHBondContact OD1-N 3.48Å; G41-K64 WeakPolarHBondContact O-CE 3.44Å; G41-K64 PolarHBondContact O-NZ 2.93Å
42	E	90.6	Very high	89.8	Confident	75 Å²	75	37.7 Å²	37.7	35%	0.35	23%	0.227	S	C	.	.	G	3₁₀ helix	trans	-113.1	6.7	174.3	-60.1	-137.1	134.1	0	0	113.4	K7 D39 I40	K7-E42 HydrophobicContact CB-CB 4.12Å; K7-E42 PolarHBondContact N-O 2.93Å; K7-E42 IonicContact NZ-OE1 3.46Å; K7-E42 PolarHBondContact NZ-OE1 3.35Å; K7-E42 IonicContact NZ-OE2 3.57Å; K7-E42 PolarHBondContact NZ-OE2 2.99Å; D39-E42 HydrophobicContact CB-CG 4.45Å; D39-E42 PolarHBondContact O-N 3.27Å; I40-E42 PolarHBondContact O-N 3.03Å
43	W	92.8	Very high	89.7	Confident	0 Å²	0	37 Å²	37	0%	0	22%	0.222	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-93.8	142.1	170.4	-67.4	83.4	0	0	0	112	L4 V5 H6 D10 C12 C34 Q35 K37 G38 I40 A65	L4-W43 HydrophobicContact CB-CE3 3.68Å; L4-W43 HydrophobicContact CB-CZ3 3.98Å; V5-W43 VanDerWaalsContact C-CE3 3.47Å; V5-W43 WeakPolarHBondContact O-CA 3.34Å; H6-W43 HydrophobicContact CB-CD2 3.72Å; H6-W43 HydrophobicContact CB-CE3 3.72Å; H6-W43 HydrophobicContact CB-CG 4.41Å; H6-W43 HydrophobicContact CB-CH2 3.84Å; H6-W43 HydrophobicContact CB-CZ2 3.84Å; H6-W43 HydrophobicContact CB-CZ3 3.78Å; H6-W43 AromaticContact CD2-CD1 3.83Å; H6-W43 AromaticContact CD2-CE2 3.99Å; H6-W43 AromaticContact CD2-NE1 3.76Å; H6-W43 VanDerWaalsContact N-CE3 3.31Å; D10-W43 HydrophobicContact CB-CH2 4.12Å; C12-W43 HydrophobicContact CB-CZ3 4.39Å; C12-W43 WeakPolarHBondContact SG-CH2 3.2Å; C34-W43 WeakPolarHBondContact O-CZ2 3.37Å; Q35-W43 VanDerWaalsContact O-CZ2 3.32Å; Q35-W43 WeakPolarHBondContact O-CZ2 3.35Å; Q35-W43 PolarHBondContact O-NE1 2.77Å; K37-W43 HydrophobicContact CB-CZ2 4.41Å; G38-W43 PolarHBondContact O-NE1 2.97Å; G38-W43 VanDerWaalsContact O-NE1 3.1Å; I40-W43 PolarHBondContact O-N 2.82Å; W43-A65 HydrophobicContact CB-CB 3.95Å; W43-A65 WeakPolarHBondContact O-CB 3.45Å; W43-A65 PolarHBondContact O-N 3.42Å
44	V	93.8	Very high	89.6	Confident	3 Å²	3	38.8 Å²	38.8	2%	0.018	23%	0.225	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-113.2	145.7	164	-65.8	0	0	0	0	110.5	L4 V5 L46 I62 S63 L131	L4-V44 CarbonylContact C-O 3.49Å; L4-V44 WeakPolarHBondContact CA-O 3.44Å; V5-V44 HydrophobicContact CB-CG2 4.01Å; V5-V44 PolarHBondContact N-O 2.88Å; V5-V44 PolarHBondContact O-N 3.49Å; V44-L46 HydrophobicContact CG2-CD1 3.94Å; V44-I62 HydrophobicContact CB-CG2 4.02Å; V44-I62 HydrophobicContact CG1-CG2 4.25Å; V44-I62 HydrophobicContact CG2-CG2 4.43Å; V44-S63 CarbonylContact C-O 3.58Å; V44-S63 WeakPolarHBondContact CA-O 3.41Å; V44-L131 HydrophobicContact CG1-CB 4.29Å; V44-L131 HydrophobicContact CG1-CD1 4.31Å; V44-L131 HydrophobicContact CG1-CD2 4.39Å
45	V	94.8	Very high	89.4	Confident	1 Å²	1	39.2 Å²	39.2	1%	0.006	23%	0.226	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-106.2	115.3	176	-175.8	0	0	0	0	107.9	A2 L4 V28 T47 S63 A65 V82 F84	A2-V45 HydrophobicContact CB-CG1 4.33Å; L4-V45 HydrophobicContact CG-CG2 4.36Å; V28-V45 HydrophobicContact CG2-CG1 4.03Å; V45-T47 HydrophobicContact CG1-CG2 4.37Å; V45-S63 PolarHBondContact N-O 2.88Å; V45-S63 PolarHBondContact O-N 3.39Å; V45-A65 HydrophobicContact CG2-CB 4.38Å; V45-V82 HydrophobicContact CG2-CG1 4.1Å; V45-F84 HydrophobicContact CB-CB 4.41Å; V45-F84 HydrophobicContact CB-CD1 4.18Å; V45-F84 HydrophobicContact CB-CG 4.24Å; V45-F84 HydrophobicContact CG1-CD1 4.07Å; V45-F84 HydrophobicContact CG1-CE1 4.17Å; V45-F84 HydrophobicContact CG2-CB 3.97Å; V45-F84 HydrophobicContact CG2-CD1 3.91Å; V45-F84 HydrophobicContact CG2-CG 4.12Å
46	L	94.5	Very high	89.1	Confident	0 Å²	0	44.8 Å²	44.8	0%	0	26%	0.257	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-97.2	133.4	171.9	-65.3	96.3	0	0	0	110.3	A2 L3 V5 V44 I49 M55 R61 I62 I132	A2-L46 CarbonylContact C-O 3.53Å; A2-L46 VanDerWaalsContact CA-O 3.28Å; A2-L46 WeakPolarHBondContact CA-O 3.48Å; L3-L46 HydrophobicContact CB-CB 4.44Å; L3-L46 PolarHBondContact N-O 3.12Å; L3-L46 PolarHBondContact O-N 3.21Å; V5-L46 HydrophobicContact CB-CD1 4.16Å; V5-L46 HydrophobicContact CG2-CD1 3.53Å; V44-L46 HydrophobicContact CG2-CD1 3.94Å; L46-I49 HydrophobicContact CB-CD1 3.95Å; L46-I49 HydrophobicContact CB-CG1 4.34Å; L46-M55 HydrophobicContact CD2-CB 3.67Å; L46-M55 HydrophobicContact CD2-CG 4Å; L46-M55 HydrophobicContact CD2-SD 4.01Å; L46-R61 WeakPolarHBondContact CA-O 3.31Å; L46-I62 HydrophobicContact CD2-CG1 4.03Å; L46-I62 HydrophobicContact CG-CG1 4.14Å; L46-I132 HydrophobicContact CD2-CD1 4.02Å
47	T	95.1	Very high	88.9	Confident	1 Å²	1	41.2 Å²	41.2	1%	0.006	23%	0.233	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-129.6	164.9	170.6	62.9	0	0	0	0	109.6	A2 V45 I49 S60 R61 V88	A2-T47 HydrophobicContact CB-CG2 4Å; V45-T47 HydrophobicContact CG1-CG2 4.37Å; T47-I49 VanDerWaalsContact C-N 3.29Å; T47-I49 PolarHBondContact O-N 3.3Å; T47-S60 CarbonylContact O-C 3.54Å; T47-S60 VanDerWaalsContact O-CA 3.24Å; T47-S60 WeakPolarHBondContact O-CA 3.43Å; T47-R61 PolarHBondContact N-O 3.05Å; T47-R61 PolarHBondContact O-N 3.12Å; T47-V88 HydrophobicContact CG2-CG2 4.43Å
48	G	94.1	Very high	88.8	Confident	6 Å²	6	40.7 Å²	40.7	6%	0.062	24%	0.241	C	C	.	.			trans	66.7	26.7	178.6	0	0	0	0	0	114.6	G50 Y59 S60	G48-G50 PolarHBondContact O-N 3.11Å; G48-Y59 CarbonylContact O-C 3.59Å; G48-S60 VanDerWaalsContact O-CA 3.29Å; G48-S60 WeakPolarHBondContact O-CA 3.47Å; G48-S60 PolarHBondContact O-N 3.35Å; G48-S60 PolarHBondContact O-OG 3.49Å
49	I	91.9	Very high	88.9	Confident	19 Å²	19	44.9 Å²	44.9	10%	0.097	25%	0.252	C	S	.	.			trans	-67.5	113.9	170.6	-62.6	166.8	0	0	0	107.4	L3 L46 T47 Y116 A138	L3-I49 HydrophobicContact CB-CD1 3.85Å; L3-I49 HydrophobicContact CD2-CD1 4.03Å; L46-I49 HydrophobicContact CB-CD1 3.95Å; L46-I49 HydrophobicContact CB-CG1 4.34Å; T47-I49 VanDerWaalsContact C-N 3.29Å; T47-I49 PolarHBondContact O-N 3.3Å; I49-Y116 HydrophobicContact CB-CE1 4.12Å; I49-Y116 HydrophobicContact CD1-CE1 4.1Å; I49-Y116 HydrophobicContact CD1-CE2 4.44Å; I49-Y116 HydrophobicContact CG2-CE1 4.05Å; I49-A138 HydrophobicContact CD1-CB 4.25Å; I49-A138 HydrophobicContact CG2-CB 4.44Å; I49-A138 WeakPolarHBondContact CG2-O 3.5Å
50	G	87.3	Confident	88.9	Confident	12 Å²	12	40.3 Å²	40.3	12%	0.124	23%	0.229	C	C	.	.			trans	-76.5	175.2	-174.1	0	0	0	0	0	114.1	G48 N52 G53	G48-G50 PolarHBondContact O-N 3.11Å; G50-N52 PolarHBondContact O-N 3.47Å; G50-N52 VanDerWaalsContact O-N 3.08Å; G50-G53 WeakPolarHBondContact O-CA 3.49Å; G50-G53 PolarHBondContact O-N 3.06Å
51	P	84.3	Confident	89	Confident	142 Å²	142	44.4 Å²	44.4	92%	0.922	24%	0.242	S	C	*	.	T	Hydrogen-bonded Turn	trans	-59.3	-22.9	-179.2	-25.6	35.2	0	0	0	114.6	G53	P51-G53 PolarHBondContact O-N 3.48Å
52	N	84.4	Confident	89.2	Confident	70 Å²	70	47.1 Å²	47.1	37%	0.374	25%	0.25	S	C	.	.	T	Hydrogen-bonded Turn	trans	-74.8	-8.5	174.5	73.2	-3.1	0	0	0	113.6	G50 Q54 R137	G50-N52 PolarHBondContact O-N 3.47Å; G50-N52 VanDerWaalsContact O-N 3.08Å; N52-Q54 VanDerWaalsContact C-N 3.29Å; N52-Q54 PolarHBondContact ND2-OE1 3.03Å; N52-Q54 PolarHBondContact O-N 3.46Å; N52-Q54 PolarHBondContact OD1-N 3.46Å; N52-R137 VanDerWaalsContact O-CZ 3.27Å; N52-R137 PolarHBondContact O-NE 3.18Å; N52-R137 PolarHBondContact O-NH2 3.4Å
53	G	86.4	Confident	89.3	Confident	0 Å²	0	43.7 Å²	43.7	0%	0	23%	0.234	C	C	.	.			trans	71.8	9.8	178.3	0	0	0	0	0	116.1	G50 P51 R137 A138	G50-G53 WeakPolarHBondContact O-CA 3.49Å; G50-G53 PolarHBondContact O-N 3.06Å; P51-G53 PolarHBondContact O-N 3.48Å; G53-R137 WeakPolarHBondContact O-CA 3.48Å; G53-R137 WeakPolarHBondContact O-CG 3.4Å; G53-A138 WeakPolarHBondContact CA-O 3.42Å; G53-A138 PolarHBondContact O-N 3.04Å
54	Q	85.2	Confident	89.3	Confident	95 Å²	95	49.1 Å²	49.1	44%	0.444	26%	0.258	S	S	.	.			trans	-71.1	141.5	175.3	-73.4	177.4	-31.3	0	0	110.9	N52	N52-Q54 VanDerWaalsContact C-N 3.29Å; N52-Q54 PolarHBondContact ND2-OE1 3.03Å; N52-Q54 PolarHBondContact O-N 3.46Å; N52-Q54 PolarHBondContact OD1-N 3.46Å
55	M	83.8	Confident	89.3	Confident	11 Å²	11	49 Å²	49	5%	0.054	26%	0.258	C	S	.	.	S	Bend	trans	-90.5	-20.7	-177.9	-67.5	-164.5	160.7	0	0	113.3	L3 L46 S60 I132 V135 A138	L3-M55 HydrophobicContact CD2-CE 3.29Å; L46-M55 HydrophobicContact CD2-CB 3.67Å; L46-M55 HydrophobicContact CD2-CG 4Å; L46-M55 HydrophobicContact CD2-SD 4.01Å; M55-S60 WeakPolarHBondContact O-CB 3.48Å; M55-I132 HydrophobicContact CB-CD1 4.45Å; M55-I132 HydrophobicContact SD-CG2 3.67Å; M55-V135 HydrophobicContact CE-CB 4.36Å; M55-V135 HydrophobicContact CE-CG1 3.31Å; M55-V135 HydrophobicContact SD-CB 4.35Å; M55-V135 HydrophobicContact SD-CG1 3.73Å; M55-A138 HydrophobicContact CE-CB 3.51Å
56	D	82.2	Confident	89.1	Confident	135 Å²	135	52.9 Å²	52.9	72%	0.722	28%	0.281	S	S	*	.	S	Bend	trans	-105.9	19	177.7	54.5	-19.7	0	0	0	111.8
57	G	83.7	Confident	88.8	Confident	9 Å²	9	59.2 Å²	59.2	9%	0.093	31%	0.306	C	S	.	.			trans	-64.3	161.4	177.3	0	0	0	0	0	113	Y59 S60	G57-Y59 PolarHBondContact O-N 3.11Å; G57-Y59 VanDerWaalsContact O-N 3.11Å; G57-S60 PolarHBondContact N-OG 2.85Å; G57-S60 VanDerWaalsContact O-CB 3.31Å; G57-S60 WeakPolarHBondContact O-CB 3.45Å; G57-S60 PolarHBondContact O-N 3.24Å; G57-S60 PolarHBondContact O-OG 2.89Å
58	P	85	Confident	88.5	Confident	97 Å²	97	59.8 Å²	59.8	63%	0.63	31%	0.31	S	S	*	.	T	Hydrogen-bonded Turn	trans	-60.2	-30.2	-172.4	23.4	-34.4	0	0	0	113.8	R61	P58-R61 PolarHBondContact O-NH1 2.9Å; P58-R61 PolarHBondContact O-NH2 2.04Å
59	Y	87.8	Confident	88.1	Confident	103 Å²	103	61.8 Å²	61.8	40%	0.404	32%	0.319	S	S	.	.	T	Hydrogen-bonded Turn	trans	-88	-13.6	177.2	-46.7	-60.8	0	0	0	113.4	G48 G57 N93	G48-Y59 CarbonylContact O-C 3.59Å; G57-Y59 PolarHBondContact O-N 3.11Å; G57-Y59 VanDerWaalsContact O-N 3.11Å; Y59-N93 HydrophobicContact CD1-CB 4.48Å; Y59-N93 WeakPolarHBondContact CD1-ND2 3.45Å; Y59-N93 WeakPolarHBondContact CE1-ND2 3.36Å; Y59-N93 HydrophobicContact CG-CB 4.05Å; Y59-N93 VanDerWaalsContact CG-ND2 3.32Å
60	S	89.9	Confident	87.6	Confident	12 Å²	12	63.7 Å²	63.7	8%	0.084	33%	0.333	C	S	.	.			trans	-76.2	138.7	-171.1	-51	0	0	0	0	111.2	T47 G48 M55 G57	T47-S60 CarbonylContact O-C 3.54Å; T47-S60 VanDerWaalsContact O-CA 3.24Å; T47-S60 WeakPolarHBondContact O-CA 3.43Å; G48-S60 VanDerWaalsContact O-CA 3.29Å; G48-S60 WeakPolarHBondContact O-CA 3.47Å; G48-S60 PolarHBondContact O-N 3.35Å; G48-S60 PolarHBondContact O-OG 3.49Å; M55-S60 WeakPolarHBondContact O-CB 3.48Å; G57-S60 PolarHBondContact N-OG 2.85Å; G57-S60 VanDerWaalsContact O-CB 3.31Å; G57-S60 WeakPolarHBondContact O-CB 3.45Å; G57-S60 PolarHBondContact O-N 3.24Å; G57-S60 PolarHBondContact O-OG 2.89Å
61	R	92.5	Very high	87	Confident	117 Å²	117	63.6 Å²	63.6	44%	0.442	33%	0.33	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-130.5	128.7	179.5	-59.1	-64.7	175.7	-94.9	-0.6	109	L46 T47 P58 V88	L46-R61 WeakPolarHBondContact CA-O 3.31Å; T47-R61 PolarHBondContact N-O 3.05Å; T47-R61 PolarHBondContact O-N 3.12Å; P58-R61 PolarHBondContact O-NH1 2.9Å; P58-R61 PolarHBondContact O-NH2 2.04Å; R61-V88 HydrophobicContact CB-CG1 3.87Å
62	I	92.2	Very high	85.7	Confident	81 Å²	81	61.4 Å²	61.4	42%	0.415	31%	0.314	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-107.9	116.6	179.1	-54.9	165.8	0	0	0	107.1	V44 L46 I132	V44-I62 HydrophobicContact CB-CG2 4.02Å; V44-I62 HydrophobicContact CG1-CG2 4.25Å; V44-I62 HydrophobicContact CG2-CG2 4.43Å; L46-I62 HydrophobicContact CD2-CG1 4.03Å; L46-I62 HydrophobicContact CG-CG1 4.14Å; I62-I132 HydrophobicContact CD1-CD1 3.95Å
63	S	93.8	Very high	84.2	Confident	3 Å²	3	59.9 Å²	59.9	2%	0.021	31%	0.306	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-115.1	147.9	174.9	-59.5	0	0	0	0	109.8	V44 V45 P86	V44-S63 CarbonylContact C-O 3.58Å; V44-S63 WeakPolarHBondContact CA-O 3.41Å; V45-S63 PolarHBondContact N-O 2.88Å; V45-S63 PolarHBondContact O-N 3.39Å; S63-P86 VanDerWaalsContact CB-O 3.25Å; S63-P86 WeakPolarHBondContact CB-O 3.36Å; S63-P86 PolarHBondContact OG-O 2.87Å
64	K	93.1	Very high	82.7	Confident	115 Å²	115	63.2 Å²	63.2	50%	0.5	32%	0.319	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-83.9	132.1	174.6	-167.4	-171.1	171.4	172.2	0	109.5	G41 F84 Y85	G41-K64 WeakPolarHBondContact O-CE 3.44Å; G41-K64 PolarHBondContact O-NZ 2.93Å; K64-F84 CarbonylContact O-C 3.59Å; K64-F84 WeakPolarHBondContact O-CA 3.09Å; K64-F84 VanDerWaalsContact O-CB 3.22Å; K64-F84 WeakPolarHBondContact O-CB 3.07Å; K64-Y85 PolarHBondContact N-O 2.92Å; K64-Y85 PolarHBondContact O-N 2.95Å
65	A	92.8	Very high	81.1	Confident	1 Å²	1	65.7 Å²	65.7	1%	0.008	34%	0.341	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-66.1	138.3	169.3	0	0	0	0	0	110.5	I40 W43 V45 V82 F83	I40-A65 HydrophobicContact CD1-CB 3.69Å; I40-A65 HydrophobicContact CG1-CB 4.04Å; I40-A65 WeakPolarHBondContact O-CB 3.06Å; W43-A65 HydrophobicContact CB-CB 3.95Å; W43-A65 WeakPolarHBondContact O-CB 3.45Å; W43-A65 PolarHBondContact O-N 3.42Å; V45-A65 HydrophobicContact CG2-CB 4.38Å; A65-V82 HydrophobicContact CB-CG1 3.88Å; A65-F83 WeakPolarHBondContact CA-O 3.27Å
66	T	90.3	Very high	80	Confident	82 Å²	82	69.2 Å²	69.2	50%	0.503	36%	0.357	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-117.4	-36.3	-174.7	51.7	0	0	0	0	112.2	F83	T66-F83 PolarHBondContact N-O 3Å; T66-F83 PolarHBondContact OG1-O 3Å
67	Y	88.2	Confident	79.3	Confident	132 Å²	132	64.1 Å²	64.1	52%	0.518	33%	0.329	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-150.7	155.3	-178.1	-175.8	-113.7	0	0	0	110.8	L69 F83	Y67-L69 HydrophobicContact CE1-CB 4.18Å; Y67-F83 AromaticContact CD1-CD2 3.74Å; Y67-F83 HydrophobicContact CD1-CD2 3.74Å; Y67-F83 HydrophobicContact CD1-CE2 4.02Å; Y67-F83 HydrophobicContact CE1-CE2 4.49Å; Y67-F83 PolarHBondContact N-O 3.49Å; Y67-F83 PolarHBondContact O-N 2.94Å
68	S	89.4	Confident	79.2	Confident	14 Å²	14	64.2 Å²	64.2	10%	0.098	33%	0.327	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-137.1	133.8	172.5	-177.2	0	0	0	0	109.8	Q35 P70 F81	Q35-S68 VanDerWaalsContact OE1-CB 3.23Å; Q35-S68 PolarHBondContact OE1-OG 3.08Å; S68-P70 WeakPolarHBondContact O-CD 3.33Å; S68-F81 CarbonylContact C-O 3.59Å; S68-F81 WeakPolarHBondContact CA-O 3.39Å
69	L	85.5	Confident	79.2	Confident	47 Å²	47	59.9 Å²	59.9	25%	0.246	30%	0.299	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-108.8	93.3	169.4	-173.1	65.9	0	0	0	108.4	Y67 A80 F81 F83 L218	Y67-L69 HydrophobicContact CE1-CB 4.18Å; L69-A80 WeakPolarHBondContact O-CA 3.36Å; L69-F81 HydrophobicContact CB-CB 4.39Å; L69-F81 PolarHBondContact N-O 2.83Å; L69-F81 PolarHBondContact O-N 3.17Å; L69-F83 HydrophobicContact CB-CE2 4.26Å; L69-L218 HydrophobicContact CD1-CD2 4.35Å
70	P	82.7	Confident	79.3	Confident	59 Å²	59	55 Å²	55	38%	0.383	28%	0.28	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-74.4	137.2	176.3	31.6	-34.9	0	0	0	110.5	S68 T72 A80	S68-P70 WeakPolarHBondContact O-CD 3.33Å; P70-T72 HydrophobicContact CB-CG2 4.18Å; P70-A80 HydrophobicContact CB-CB 4.47Å
71	V	73.6	Confident	79.3	Confident	11 Å²	11	55.6 Å²	55.6	7%	0.067	28%	0.281	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-92.8	104	-178.2	179.7	0	0	0	0	108.5	E77 V79 F81 V215	V71-E77 HydrophobicContact CG1-CB 4.32Å; V71-V79 HydrophobicContact CB-CB 3.96Å; V71-V79 HydrophobicContact CB-CG1 4.42Å; V71-V79 WeakPolarHBondContact CB-O 3.48Å; V71-V79 HydrophobicContact CG2-CB 3.88Å; V71-V79 HydrophobicContact CG2-CG1 3.77Å; V71-V79 WeakPolarHBondContact CG2-O 3.46Å; V71-V79 PolarHBondContact N-O 3.43Å; V71-F81 HydrophobicContact CG2-CD2 4.02Å; V71-F81 HydrophobicContact CG2-CE2 3.81Å; V71-V215 HydrophobicContact CB-CG1 3.99Å; V71-V215 HydrophobicContact CG1-CB 3.9Å; V71-V215 HydrophobicContact CG1-CG1 3.39Å; V71-V215 HydrophobicContact CG1-CG2 3.37Å; V71-V215 HydrophobicContact CG2-CG1 3.35Å
72	T	58	Low	79.4	Confident	95 Å²	95	50 Å²	50	58%	0.583	26%	0.26	S	S	*	.			trans	-131	27.9	-167.7	52.8	0	0	0	0	113.1	P70 Y74	P70-T72 HydrophobicContact CB-CG2 4.18Å; T72-Y74 PolarHBondContact O-N 3.28Å
73	N	52	Low	79.5	Confident	38 Å²	38	46.9 Å²	46.9	20%	0.203	24%	0.243	C	C	.	.	S	Bend	trans	-60	-33.4	-179.3	-151.8	-27.2	0	0	0	111.5	E77 S214 P219	N73-E77 VanDerWaalsContact CB-OE2 3.23Å; N73-E77 WeakPolarHBondContact CB-OE2 3.4Å; N73-E77 PolarHBondContact N-OE2 2.75Å; N73-S214 PolarHBondContact ND2-O 3.41Å; N73-P219 HydrophobicContact CB-CG 3.88Å
74	Y	55.2	Low	79.5	Confident	70 Å²	70	46.9 Å²	46.9	28%	0.275	24%	0.243	S	C	.	.	S	Bend	trans	-135.1	152.4	167.7	-53.7	-81.6	0	0	0	109.9	T72 Q76 E77 R157 I158	T72-Y74 PolarHBondContact O-N 3.28Å; Y74-Q76 PolarHBondContact O-N 2.98Å; Y74-E77 PolarHBondContact O-N 3.04Å; Y74-R157 HydrophobicContact CE1-CB 4.46Å; Y74-R157 HydrophobicContact CE2-CB 4.22Å; Y74-R157 WeakPolarHBondContact OH-CD 3.32Å; Y74-R157 PolarHBondContact OH-NH1 3.06Å; Y74-I158 HydrophobicContact CD2-CG1 4.12Å; Y74-I158 HydrophobicContact CG-CD1 4.11Å; Y74-I158 HydrophobicContact CG-CG1 4.08Å
75	T	51.1	Low	79.5	Confident	148 Å²	148	47.7 Å²	47.7	91%	0.908	24%	0.244	S	C	*	.	T	Hydrogen-bonded Turn	trans	-66.8	15.1	-176.9	52.8	0	0	0	0	115
76	Q	60.2	Low	79.6	Confident	85 Å²	85	50.9 Å²	50.9	40%	0.397	27%	0.265	S	S	.	.	T	Hydrogen-bonded Turn	trans	-143.1	15.2	-174	-42.3	174.7	6.7	0	0	112.4	Y74 I158 R160	Y74-Q76 PolarHBondContact O-N 2.98Å; Q76-I158 HydrophobicContact CB-CD1 3.93Å; Q76-I158 HydrophobicContact CG-CD1 4.39Å; Q76-R160 PolarHBondContact O-NH2 3.2Å; Q76-R160 VanDerWaalsContact O-NH2 3.15Å
77	E	67.9	Low	79.7	Confident	27 Å²	27	49.8 Å²	49.8	13%	0.126	25%	0.254	C	S	.	.			trans	-96.5	118.9	164.5	-69.3	177.3	165.3	0	0	107.7	V71 N73 Y74 I158	V71-E77 HydrophobicContact CG1-CB 4.32Å; N73-E77 VanDerWaalsContact CB-OE2 3.23Å; N73-E77 WeakPolarHBondContact CB-OE2 3.4Å; N73-E77 PolarHBondContact N-OE2 2.75Å; Y74-E77 PolarHBondContact O-N 3.04Å; E77-I158 HydrophobicContact CG-CG2 4.41Å
78	D	81.2	Confident	80	Confident	12 Å²	12	43.7 Å²	43.7	6%	0.064	23%	0.23	C	C	.	.			trans	-114.9	71.2	-174.3	-174.5	53.7	0	0	0	110.9	S31 S32 S33 I176 T193	S31-D78 WeakPolarHBondContact CB-OD2 3.44Å; S31-D78 PolarHBondContact OG-OD1 3.15Å; S31-D78 PolarHBondContact OG-OD2 2.81Å; S32-D78 PolarHBondContact N-OD1 2.76Å; S32-D78 WeakPolarHBondContact OG-CA 3.41Å; S32-D78 PolarHBondContact OG-OD1 2.61Å; S33-D78 VanDerWaalsContact CB-OD1 3.28Å; S33-D78 WeakPolarHBondContact CB-OD1 3.32Å; S33-D78 PolarHBondContact N-OD1 2.97Å; S33-D78 PolarHBondContact OG-OD1 2.69Å; D78-I176 WeakPolarHBondContact OD2-CD1 3.4Å; D78-I176 WeakPolarHBondContact OD2-CG1 3.35Å; D78-T193 PolarHBondContact O-OG1 2.99Å
79	V	86.5	Confident	80.3	Confident	5 Å²	5	47 Å²	47	3%	0.03	25%	0.253	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-138.6	140	-179.1	176.9	0	0	0	0	110	V29 T30 S32 V71 F81 T207 F209	V29-V79 HydrophobicContact CG1-CG1 4.32Å; T30-V79 CarbonylContact O-C 3.56Å; T30-V79 WeakPolarHBondContact O-CA 3.4Å; S32-V79 WeakPolarHBondContact CB-O 3.4Å; S32-V79 PolarHBondContact OG-N 3.5Å; V71-V79 HydrophobicContact CB-CB 3.96Å; V71-V79 HydrophobicContact CB-CG1 4.42Å; V71-V79 WeakPolarHBondContact CB-O 3.48Å; V71-V79 HydrophobicContact CG2-CB 3.88Å; V71-V79 HydrophobicContact CG2-CG1 3.77Å; V71-V79 WeakPolarHBondContact CG2-O 3.46Å; V71-V79 PolarHBondContact N-O 3.43Å; V79-F81 HydrophobicContact CG1-CE2 4.27Å; V79-T207 HydrophobicContact CG2-CG2 3.84Å; V79-F209 HydrophobicContact CB-CZ 4.2Å; V79-F209 HydrophobicContact CG1-CE1 3.99Å; V79-F209 HydrophobicContact CG1-CZ 3.58Å; V79-F209 HydrophobicContact CG2-CE1 4.45Å; V79-F209 HydrophobicContact CG2-CE2 3.61Å; V79-F209 HydrophobicContact CG2-CZ 3.46Å; V79-F209 VanDerWaalsContact CG2-CZ 3.46Å
80	A	89.2	Confident	80.7	Confident	0 Å²	0	47.7 Å²	47.7	0%	0	25%	0.254	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-138	143.3	165.1	0	0	0	0	0	110.6	T30 L69 P70	T30-A80 HydrophobicContact CG2-CB 4.32Å; T30-A80 PolarHBondContact N-O 3.01Å; T30-A80 PolarHBondContact O-N 2.75Å; L69-A80 WeakPolarHBondContact O-CA 3.36Å; P70-A80 HydrophobicContact CB-CB 4.47Å
81	F	90.9	Very high	81.2	Confident	26 Å²	26	47.6 Å²	47.6	11%	0.114	25%	0.25	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-95.9	110.2	168.6	-62.7	-94.1	0	0	0	108.4	I17 V29 S68 L69 V71 V79 F83 V215	I17-F81 HydrophobicContact CD1-CD1 3.84Å; I17-F81 HydrophobicContact CD1-CE1 4.02Å; V29-F81 HydrophobicContact CG2-CD1 3.7Å; V29-F81 HydrophobicContact CG2-CE1 3.61Å; V29-F81 HydrophobicContact CG2-CZ 4.44Å; S68-F81 CarbonylContact C-O 3.59Å; S68-F81 WeakPolarHBondContact CA-O 3.39Å; L69-F81 HydrophobicContact CB-CB 4.39Å; L69-F81 PolarHBondContact N-O 2.83Å; L69-F81 PolarHBondContact O-N 3.17Å; V71-F81 HydrophobicContact CG2-CD2 4.02Å; V71-F81 HydrophobicContact CG2-CE2 3.81Å; V79-F81 HydrophobicContact CG1-CE2 4.27Å; F81-F83 HydrophobicContact CB-CE2 3.9Å; F81-F83 HydrophobicContact CB-CZ 4.14Å; F81-F83 WeakPolarHBondContact O-CE2 2.99Å; F81-V215 HydrophobicContact CE2-CG1 3.88Å
82	V	93.5	Very high	82	Confident	0 Å²	0	54.1 Å²	54.1	0%	0	28%	0.28	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-98.5	124	177	170.5	0	0	0	0	109.4	L4 V28 T30 Q35 I40 V45 A65	L4-V82 HydrophobicContact CD2-CB 4.01Å; L4-V82 HydrophobicContact CD2-CG1 3.9Å; L4-V82 HydrophobicContact CD2-CG2 3.79Å; V28-V82 PolarHBondContact N-O 3.06Å; V28-V82 PolarHBondContact O-N 2.84Å; T30-V82 HydrophobicContact CG2-CG2 3.87Å; Q35-V82 HydrophobicContact CG-CG2 3.84Å; I40-V82 HydrophobicContact CD1-CG1 4.05Å; I40-V82 HydrophobicContact CD1-CG2 4.22Å; V45-V82 HydrophobicContact CG2-CG1 4.1Å; A65-V82 HydrophobicContact CB-CG1 3.88Å
83	F	94	Very high	83.6	Confident	14 Å²	14	52.4 Å²	52.4	6%	0.061	27%	0.268	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-102.2	147.8	176.9	-55.2	-96.6	0	0	0	110	F26 A65 T66 Y67 L69 F81 L284 F285	F26-F83 AromaticContact CD2-CD1 3.88Å; F26-F83 HydrophobicContact CD2-CD1 3.88Å; F26-F83 AromaticContact CE2-CD1 3.89Å; F26-F83 HydrophobicContact CE2-CD1 3.89Å; F26-F83 HydrophobicContact CE2-CE1 4.32Å; F26-F83 CarbonylContact O-C 3.58Å; F26-F83 WeakPolarHBondContact O-CA 3.26Å; A65-F83 WeakPolarHBondContact CA-O 3.27Å; T66-F83 PolarHBondContact N-O 3Å; T66-F83 PolarHBondContact OG1-O 3Å; Y67-F83 AromaticContact CD1-CD2 3.74Å; Y67-F83 HydrophobicContact CD1-CD2 3.74Å; Y67-F83 HydrophobicContact CD1-CE2 4.02Å; Y67-F83 HydrophobicContact CE1-CE2 4.49Å; Y67-F83 PolarHBondContact N-O 3.49Å; Y67-F83 PolarHBondContact O-N 2.94Å; L69-F83 HydrophobicContact CB-CE2 4.26Å; F81-F83 HydrophobicContact CB-CE2 3.9Å; F81-F83 HydrophobicContact CB-CZ 4.14Å; F81-F83 WeakPolarHBondContact O-CE2 2.99Å; F83-L284 HydrophobicContact CE1-CD1 4.15Å; F83-L284 HydrophobicContact CZ-CD1 3.97Å; F83-F285 AromaticContact CE1-CE2 3.64Å; F83-F285 HydrophobicContact CE1-CE2 3.64Å; F83-F285 AromaticContact CE1-CZ 3.68Å; F83-F285 HydrophobicContact CE1-CZ 3.68Å; F83-F285 AromaticContact CZ-CE2 3.79Å; F83-F285 HydrophobicContact CZ-CE2 3.79Å; F83-F285 HydrophobicContact CZ-CZ 4.18Å
84	F	94.7	Very high	85.6	Confident	4 Å²	4	50.9 Å²	50.9	2%	0.018	26%	0.26	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-148.5	159.2	-171.5	56.7	-96.9	0	0	0	113.8	L16 S25 F26 V28 V45 K64 P86 V88	L16-F84 HydrophobicContact CD1-CE1 4.24Å; L16-F84 HydrophobicContact CD1-CZ 3.71Å; S25-F84 VanDerWaalsContact O-CE2 3.32Å; S25-F84 WeakPolarHBondContact O-CE2 3.43Å; S25-F84 WeakPolarHBondContact O-CZ 3.43Å; F26-F84 WeakPolarHBondContact CB-O 3.22Å; F26-F84 WeakPolarHBondContact O-CD1 3.44Å; F26-F84 PolarHBondContact O-N 3.37Å; V28-F84 HydrophobicContact CB-CE1 4.08Å; V28-F84 HydrophobicContact CG2-CE1 3.72Å; V28-F84 HydrophobicContact CG2-CZ 4.45Å; V45-F84 HydrophobicContact CB-CB 4.41Å; V45-F84 HydrophobicContact CB-CD1 4.18Å; V45-F84 HydrophobicContact CB-CG 4.24Å; V45-F84 HydrophobicContact CG1-CD1 4.07Å; V45-F84 HydrophobicContact CG1-CE1 4.17Å; V45-F84 HydrophobicContact CG2-CB 3.97Å; V45-F84 HydrophobicContact CG2-CD1 3.91Å; V45-F84 HydrophobicContact CG2-CG 4.12Å; K64-F84 CarbonylContact O-C 3.59Å; K64-F84 WeakPolarHBondContact O-CA 3.09Å; K64-F84 VanDerWaalsContact O-CB 3.22Å; K64-F84 WeakPolarHBondContact O-CB 3.07Å; F84-P86 WeakPolarHBondContact CD2-O 3.33Å; F84-V88 HydrophobicContact CE2-CG1 4.1Å; F84-V88 HydrophobicContact CE2-CG2 4.09Å; F84-V88 HydrophobicContact CZ-CG2 4.1Å
85	Y	92.5	Very high	87.5	Confident	131 Å²	131	53.2 Å²	53.2	51%	0.514	27%	0.274	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-139	141.2	176.2	-172.9	-90.4	0	0	0	111.1	K64	K64-Y85 PolarHBondContact N-O 2.92Å; K64-Y85 PolarHBondContact O-N 2.95Å
86	P	94.3	Very high	89.6	Confident	69 Å²	69	47.9 Å²	47.9	45%	0.448	24%	0.242	S	C	.	.	E	Extended strand (participates in β ladder)	cis	-64.9	157.6	-5.9	29.8	-36.9	0	0	0	112.4	S63 F84	S63-P86 VanDerWaalsContact CB-O 3.25Å; S63-P86 WeakPolarHBondContact CB-O 3.36Å; S63-P86 PolarHBondContact OG-O 2.87Å; F84-P86 WeakPolarHBondContact CD2-O 3.33Å
87	E	92.9	Very high	91.2	Very high	59 Å²	59	44.8 Å²	44.8	28%	0.276	23%	0.229	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-64.5	155	169.5	66.3	-165.1	-112.8	0	0	111.4	K21 S24 S25 F26	K21-E87 WeakPolarHBondContact CD-OE1 3.47Å; K21-E87 WeakPolarHBondContact CD-OE2 3.48Å; K21-E87 WeakPolarHBondContact CE-OE2 3.44Å; K21-E87 IonicContact NZ-OE1 2.73Å; K21-E87 IonicContact NZ-OE2 3.51Å; K21-E87 PolarHBondContact NZ-OE2 2.87Å; S24-E87 VanDerWaalsContact CB-OE1 3.25Å; S24-E87 WeakPolarHBondContact CB-OE1 3.36Å; S24-E87 PolarHBondContact OG-OE1 3.44Å; S25-E87 WeakPolarHBondContact O-CA 3.36Å; F26-E87 HydrophobicContact CB-CB 4.02Å
88	V	95.1	Very high	92.4	Very high	3 Å²	3	45.5 Å²	45.5	2%	0.018	24%	0.237	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-102.6	120.5	177.9	-63.5	0	0	0	0	110.6	L16 S24 S25 T47 R61 F84 V94	L16-V88 HydrophobicContact CD1-CG2 3.75Å; L16-V88 HydrophobicContact CD2-CG2 3.86Å; L16-V88 HydrophobicContact CG-CG2 4.49Å; S24-V88 VanDerWaalsContact CA-O 3.26Å; S24-V88 WeakPolarHBondContact CA-O 3.5Å; S25-V88 PolarHBondContact N-O 3.12Å; S25-V88 WeakPolarHBondContact O-CG2 3.31Å; S25-V88 PolarHBondContact O-N 2.83Å; T47-V88 HydrophobicContact CG2-CG2 4.43Å; R61-V88 HydrophobicContact CB-CG1 3.87Å; F84-V88 HydrophobicContact CE2-CG1 4.1Å; F84-V88 HydrophobicContact CE2-CG2 4.09Å; F84-V88 HydrophobicContact CZ-CG2 4.1Å; V88-V94 HydrophobicContact CB-CG1 4.28Å; V88-V94 HydrophobicContact CG2-CG1 3.98Å
89	S	94.8	Very high	92.8	Very high	84 Å²	84	46.6 Å²	46.6	59%	0.587	24%	0.242	S	C	*	.	E	Extended strand (participates in β ladder)	trans	-70.9	136.8	174.1	-47.4	0	0	0	0	111	N91	S89-N91 PolarHBondContact O-ND2 2.89Å
90	F	94.5	Very high	92.9	Very high	62 Å²	62	46.3 Å²	46.3	27%	0.272	24%	0.241	S	C	.	.	P	Polyproline II helix	trans	-71.1	142.6	-178.9	-56.5	-24.3	0	0	0	112.4	L16 N23 S24 V94 P96	L16-F90 HydrophobicContact CD2-CD1 4.34Å; L16-F90 HydrophobicContact CD2-CE1 4.01Å; N23-F90 PolarHBondContact O-N 3.42Å; S24-F90 WeakPolarHBondContact O-CZ 3.41Å; F90-V94 CarbonylContact C-O 3.59Å; F90-V94 WeakPolarHBondContact CA-O 3.46Å; F90-P96 HydrophobicContact CD2-CG 4.38Å; F90-P96 HydrophobicContact CE1-CB 4.38Å; F90-P96 HydrophobicContact CE1-CG 4.02Å; F90-P96 HydrophobicContact CE2-CG 3.78Å; F90-P96 HydrophobicContact CZ-CB 4.17Å; F90-P96 HydrophobicContact CZ-CG 3.58Å
91	N	92.4	Very high	92.7	Very high	56 Å²	56	50.3 Å²	50.3	30%	0.299	27%	0.269	S	S	.	.	B	Isolated β-bridge	trans	-158.8	177	176.5	63	81.2	0	0	0	109.1	S89 N93 V94 M95	S89-N91 PolarHBondContact O-ND2 2.89Å; N91-N93 PolarHBondContact O-N 2.66Å; N91-N93 WeakPolarHBondContact OD1-CB 3.48Å; N91-N93 PolarHBondContact OD1-N 2.79Å; N91-V94 PolarHBondContact N-O 2.93Å; N91-V94 WeakPolarHBondContact ND2-CB 3.13Å; N91-V94 CarbonylContact O-C 3.53Å; N91-V94 VanDerWaalsContact O-C 3.25Å; N91-V94 PolarHBondContact O-N 3.27Å; N91-V94 PolarHBondContact OD1-N 3.11Å; N91-M95 WeakPolarHBondContact O-CG 3.37Å
92	E	91.5	Very high	92.4	Very high	149 Å²	149	53.3 Å²	53.3	70%	0.696	28%	0.279	S	S	*	.	T	Hydrogen-bonded Turn	trans	-53.1	-27.1	-177.9	74.5	-160.3	171.3	0	0	114.8
93	N	91.8	Very high	91.8	Very high	59 Å²	59	54.9 Å²	54.9	32%	0.316	29%	0.29	S	S	.	.	T	Hydrogen-bonded Turn	trans	-99.9	-12.1	178.8	-62.7	-84.4	0	0	0	113.5	Y59 N91	Y59-N93 HydrophobicContact CD1-CB 4.48Å; Y59-N93 WeakPolarHBondContact CD1-ND2 3.45Å; Y59-N93 WeakPolarHBondContact CE1-ND2 3.36Å; Y59-N93 HydrophobicContact CG-CB 4.05Å; Y59-N93 VanDerWaalsContact CG-ND2 3.32Å; N91-N93 PolarHBondContact O-N 2.66Å; N91-N93 WeakPolarHBondContact OD1-CB 3.48Å; N91-N93 PolarHBondContact OD1-N 2.79Å
94	V	94.4	Very high	91.3	Very high	5 Å²	5	58.9 Å²	58.9	3%	0.03	31%	0.308	C	S	.	.	B	Isolated β-bridge	trans	-134.1	93	-176.8	-173.9	0	0	0	0	109	L16 V88 F90 N91	L16-V94 HydrophobicContact CD2-CG1 3.73Å; V88-V94 HydrophobicContact CB-CG1 4.28Å; V88-V94 HydrophobicContact CG2-CG1 3.98Å; F90-V94 CarbonylContact C-O 3.59Å; F90-V94 WeakPolarHBondContact CA-O 3.46Å; N91-V94 PolarHBondContact N-O 2.93Å; N91-V94 WeakPolarHBondContact ND2-CB 3.13Å; N91-V94 CarbonylContact O-C 3.53Å; N91-V94 VanDerWaalsContact O-C 3.25Å; N91-V94 PolarHBondContact O-N 3.27Å; N91-V94 PolarHBondContact OD1-N 3.11Å
95	M	94.4	Very high	90.9	Very high	119 Å²	119	59.2 Å²	59.2	59%	0.586	31%	0.31	S	S	*	.			trans	-125.2	147.5	174.1	-69.6	-176.1	-83	0	0	110.5	N91	N91-M95 WeakPolarHBondContact O-CG 3.37Å
96	P	95.4	Very high	90.7	Very high	36 Å²	36	54.3 Å²	54.3	23%	0.234	30%	0.295	C	S	.	.	P	Polyproline II helix	trans	-76	160.1	170.9	35.6	-36.3	0	0	0	110.7	L16 F90	L16-P96 HydrophobicContact CG-CB 4.4Å; L16-P96 CarbonylContact O-C 3.54Å; L16-P96 WeakPolarHBondContact O-CA 3.24Å; F90-P96 HydrophobicContact CD2-CG 4.38Å; F90-P96 HydrophobicContact CE1-CB 4.38Å; F90-P96 HydrophobicContact CE1-CG 4.02Å; F90-P96 HydrophobicContact CE2-CG 3.78Å; F90-P96 HydrophobicContact CZ-CB 4.17Å; F90-P96 HydrophobicContact CZ-CG 3.58Å
97	V	94.5	Very high	90.3	Very high	20 Å²	20	55.3 Å²	55.3	12%	0.121	30%	0.303	C	S	.	.	P	Polyproline II helix	trans	-90.7	147.4	166.1	-62.1	0	0	0	0	110.5	V15 L16 I17 P18 V181 L190	V15-V97 HydrophobicContact CB-CG2 4.37Å; V15-V97 HydrophobicContact CG1-CG2 3.94Å; V15-V97 HydrophobicContact CG2-CB 4.14Å; V15-V97 HydrophobicContact CG2-CG1 3.49Å; V15-V97 VanDerWaalsContact CG2-CG1 3.49Å; V15-V97 HydrophobicContact CG2-CG2 3.52Å; L16-V97 PolarHBondContact O-N 3.1Å; I17-V97 HydrophobicContact CG2-CG2 4.49Å; P18-V97 WeakPolarHBondContact CD-O 3.4Å; V97-V181 HydrophobicContact CG1-CG1 4.07Å; V97-L190 HydrophobicContact CG2-CB 3.86Å
98	C	93.1	Very high	90.1	Very high	43 Å²	43	57.6 Å²	57.6	29%	0.291	33%	0.326	S	S	.	.	B	Isolated β-bridge	trans	-67.4	151.9	172.2	-62.6	0	0	0	0	110.6	W188 T189 L190	C98-W188 PolarHBondContact N-O 2.77Å; C98-T189 HydrophobicContact CB-CG2 4.48Å; C98-T189 CarbonylContact O-C 3.53Å; C98-T189 VanDerWaalsContact O-CA 3.3Å; C98-T189 WeakPolarHBondContact O-CA 3.46Å; C98-L190 PolarHBondContact O-N 2.87Å
99	L	89.6	Confident	89.8	Confident	34 Å²	34	57.9 Å²	57.9	18%	0.178	33%	0.328	C	S	.	.	P	Polyproline II helix	trans	-94.5	152.8	173.8	-64.1	175.1	0	0	0	110.2	I17 P18 L190 F287	I17-L99 HydrophobicContact CG2-CD2 3.92Å; P18-L99 HydrophobicContact CG-CD1 4.38Å; L99-L190 HydrophobicContact CD2-CD2 4.36Å; L99-F287 HydrophobicContact CB-CD2 4Å; L99-F287 HydrophobicContact CB-CE2 3.74Å; L99-F287 HydrophobicContact CD1-CD2 3.81Å; L99-F287 HydrophobicContact CD1-CE2 4.13Å; L99-F287 HydrophobicContact CD2-CE2 4.39Å; L99-F287 HydrophobicContact CG-CD2 4.41Å; L99-F287 HydrophobicContact CG-CE2 4.29Å
100	P	88.1	Confident	89.7	Confident	0 Å²	0	61.8 Å²	61.8	0%	0	33%	0.334	C	S	.	.	P	Polyproline II helix	trans	-81	125	-165	30.1	-32.4	0	0	0	112.4	R102 T189 L190 Y191 F209 F210 F287 N288	P100-R102 VanDerWaalsContact C-N 3.35Å; P100-T189 HydrophobicContact CB-CG2 3.94Å; P100-L190 WeakPolarHBondContact CB-O 3.3Å; P100-L190 VanDerWaalsContact CD-O 3.24Å; P100-L190 WeakPolarHBondContact CD-O 3.4Å; P100-L190 VanDerWaalsContact CG-O 3.3Å; P100-L190 WeakPolarHBondContact CG-O 2.81Å; P100-Y191 HydrophobicContact CB-CD1 3.94Å; P100-Y191 HydrophobicContact CB-CE1 3.83Å; P100-F209 HydrophobicContact CG-CB 3.95Å; P100-F210 HydrophobicContact CB-CB 4.47Å; P100-F210 HydrophobicContact CG-CB 4.24Å; P100-F210 WeakPolarHBondContact O-CD2 3.49Å; P100-F287 HydrophobicContact CG-CZ 4.05Å; P100-N288 PolarHBondContact O-ND2 3.48Å
101	S	84.6	Confident	89.5	Confident	84 Å²	84	58.9 Å²	58.9	59%	0.587	32%	0.322	S	S	*	.	S	Bend	trans	-88.2	4.1	175.5	57.4	0	0	0	0	114.8	N288	S101-N288 WeakPolarHBondContact CA-OD1 3.13Å
102	R	84.1	Confident	89.5	Confident	88 Å²	88	57.7 Å²	57.7	33%	0.332	32%	0.315	S	S	.	.	S	Bend	trans	-157.6	156.9	175	52	168.7	172	-107.8	-34.1	111.1	P100 K104 H184 Y191 F210	P100-R102 VanDerWaalsContact C-N 3.35Å; R102-K104 VanDerWaalsContact CD-O 3.24Å; R102-K104 WeakPolarHBondContact CD-O 3.41Å; R102-K104 WeakPolarHBondContact CG-O 3.25Å; R102-K104 PolarHBondContact NE-O 2.99Å; R102-K104 PolarHBondContact O-N 3.47Å; R102-K104 VanDerWaalsContact O-N 3.11Å; R102-H184 PolarHBondContact NH2-CD2 3.38Å; R102-H184 PolarHBondContact NH2-CE1 3.43Å; R102-H184 VanDerWaalsContact NH2-CE1 3.26Å; R102-H184 PolarHBondContact NH2-ND1 3.2Å; R102-H184 PolarHBondContact NH2-NE2 2.6Å; R102-Y191 WeakPolarHBondContact O-CE1 3.42Å; R102-F210 VanDerWaalsContact C-CG 3.43Å; R102-F210 VanDerWaalsContact N-CD2 3.34Å
103	S	80.5	Confident	89.4	Confident	33 Å²	33	50.8 Å²	50.8	23%	0.231	28%	0.282	C	S	.	.	S	Bend	trans	-73.1	1.3	-174.2	70.9	0	0	0	0	118.2	V152 R159 F210	S103-V152 WeakPolarHBondContact O-CG2 3.41Å; S103-R159 PolarHBondContact OG-NH2 3.15Å; S103-F210 VanDerWaalsContact CA-CG 3.47Å
104	K	84.5	Confident	89.3	Confident	99 Å²	99	48.1 Å²	48.1	43%	0.43	27%	0.269	S	S	.	.	S	Bend	trans	-145.9	145.5	173.6	-70.1	-172.3	179.7	178.8	0	110.5	R102 V152	R102-K104 VanDerWaalsContact CD-O 3.24Å; R102-K104 WeakPolarHBondContact CD-O 3.41Å; R102-K104 WeakPolarHBondContact CG-O 3.25Å; R102-K104 PolarHBondContact NE-O 2.99Å; R102-K104 PolarHBondContact O-N 3.47Å; R102-K104 VanDerWaalsContact O-N 3.11Å; K104-V152 HydrophobicContact CD-CG2 4.14Å; K104-V152 HydrophobicContact CG-CG2 3.62Å
105	P	86.3	Confident	89	Confident	11 Å²	11	48 Å²	48	7%	0.071	27%	0.269	C	S	.	.			trans	-61.2	148.4	160.3	27.5	-32	0	0	0	109.7	A147 I150 C182 Y191	P105-A147 HydrophobicContact CB-CB 3.88Å; P105-A147 HydrophobicContact CG-CB 3.84Å; P105-I150 HydrophobicContact CG-CD1 3.88Å; P105-C182 HydrophobicContact CB-CB 3.85Å; P105-Y191 HydrophobicContact CB-CD2 4.15Å; P105-Y191 HydrophobicContact CB-CE1 4.31Å; P105-Y191 HydrophobicContact CB-CE2 3.84Å; P105-Y191 VanDerWaalsContact N-CE1 3.31Å
106	P	88.3	Confident	88.7	Confident	28 Å²	28	43.3 Å²	43.3	18%	0.182	24%	0.244	C	C	.	.			trans	-53.7	144	167.3	-13.8	20.2	0	0	0	110.6	S108 S109 A147 H184	P106-S108 PolarHBondContact O-N 2.87Å; P106-S109 VanDerWaalsContact CD-OG 3.3Å; P106-S109 WeakPolarHBondContact CD-OG 3.33Å; P106-S109 WeakPolarHBondContact CG-OG 3.45Å; P106-S109 VanDerWaalsContact O-CB 3.32Å; P106-S109 WeakPolarHBondContact O-CB 3.4Å; P106-S109 PolarHBondContact O-N 3.07Å; P106-A147 WeakPolarHBondContact O-CB 3.35Å; P106-H184 HydrophobicContact CG-CB 4.36Å; P106-H184 VanDerWaalsContact CG-ND1 3.28Å; P106-H184 WeakPolarHBondContact CG-ND1 3.44Å
107	S	86.3	Confident	88.3	Confident	89 Å²	89	45.5 Å²	45.5	62%	0.622	25%	0.252	S	S	*	.	T	Hydrogen-bonded Turn	trans	-58.4	-24.9	-178	49	0	0	0	0	114.5	S148	S107-S148 WeakPolarHBondContact O-CB 3.29Å; S107-S148 PolarHBondContact O-N 3.39Å
108	S	86.9	Confident	87.9	Confident	108 Å²	108	46.2 Å²	46.2	76%	0.755	26%	0.256	S	S	*	.	T	Hydrogen-bonded Turn	trans	-88.1	-3.9	176.6	54.1	0	0	0	0	114.8	P106	P106-S108 PolarHBondContact O-N 2.87Å
109	S	90.1	Very high	87.5	Confident	8 Å²	8	47 Å²	47	6%	0.056	26%	0.255	C	S	.	.			trans	-69	133.2	-179.4	-80.8	0	0	0	0	112.2	P106 A147 N183	P106-S109 VanDerWaalsContact CD-OG 3.3Å; P106-S109 WeakPolarHBondContact CD-OG 3.33Å; P106-S109 WeakPolarHBondContact CG-OG 3.45Å; P106-S109 VanDerWaalsContact O-CB 3.32Å; P106-S109 WeakPolarHBondContact O-CB 3.4Å; P106-S109 PolarHBondContact O-N 3.07Å; S109-A147 WeakPolarHBondContact O-CB 3.13Å; S109-A147 PolarHBondContact O-N 2.04Å; S109-N183 WeakPolarHBondContact CB-O 3.13Å; S109-N183 PolarHBondContact OG-O 3.24Å
110	K	91.8	Very high	87	Confident	167 Å²	167	52.8 Å²	52.8	73%	0.726	27%	0.274	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-72.4	125.5	162.7	-64.2	-179.5	179.8	-179.5	0	108.1	C182 N183	K110-C182 WeakPolarHBondContact O-CA 3.08Å; K110-N183 PolarHBondContact O-N 3.42Å
111	C	91.8	Very high	86.2	Confident	1 Å²	1	60.3 Å²	60.3	1%	0.007	30%	0.303	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-107.8	155.7	172.7	-61.1	0	0	0	0	110.3	L145 L180 V181 C182	C111-L145 HydrophobicContact CB-CB 3.98Å; C111-L145 PolarHBondContact N-O 3.04Å; C111-L145 PolarHBondContact O-N 3.11Å; C111-L180 HydrophobicContact CB-CD1 4.09Å; C111-V181 CarbonylContact C-O 3.51Å; C111-V181 WeakPolarHBondContact CA-O 3.42Å; C111-C182 HydrophobicContact CB-CB 4.04Å; C111-C182 WeakPolarHBondContact CB-SG 3.16Å; C111-C182 WeakPolarHBondContact SG-CB 3.47Å; C111-C182 CovalentContact SG-SG 2.04Å; C111-C182 PolarHBondContact SG-SG 3.48Å
112	I	91.1	Very high	84.8	Confident	31 Å²	31	65.9 Å²	65.9	16%	0.159	32%	0.32	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-131.7	127.4	171	-61.9	176.6	0	0	0	107.1	T114 E142 M143 V181 W188	I112-T114 HydrophobicContact CG2-CG2 4.46Å; I112-E142 HydrophobicContact CG2-CB 3.9Å; I112-E142 HydrophobicContact CG2-CG 4.29Å; I112-M143 WeakPolarHBondContact CA-O 3.46Å; I112-V181 HydrophobicContact CB-CG2 4.12Å; I112-V181 PolarHBondContact N-O 3.47Å; I112-V181 WeakPolarHBondContact O-CG2 3.38Å; I112-V181 PolarHBondContact O-N 3.24Å; I112-W188 HydrophobicContact CB-CZ3 4.35Å; I112-W188 HydrophobicContact CD1-CH2 3.43Å; I112-W188 VanDerWaalsContact CD1-CH2 3.43Å; I112-W188 HydrophobicContact CD1-CZ2 3.94Å; I112-W188 HydrophobicContact CD1-CZ3 3.95Å; I112-W188 HydrophobicContact CG1-CH2 3.72Å; I112-W188 HydrophobicContact CG1-CZ3 3.89Å
113	L	90.2	Very high	83.3	Confident	3 Å²	3	66.1 Å²	66.1	2%	0.016	33%	0.331	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-90.9	126.5	158.6	175.7	55.4	0	0	0	107.3	E142 M143 L145 H174 P179 F206	L113-E142 WeakPolarHBondContact O-CA 3.32Å; L113-M143 HydrophobicContact CB-CB 4.45Å; L113-M143 PolarHBondContact N-O 3.44Å; L113-M143 PolarHBondContact O-N 3.15Å; L113-L145 HydrophobicContact CB-CD1 3.79Å; L113-H174 HydrophobicContact CD2-CB 4.05Å; L113-H174 VanDerWaalsContact CD2-CD2 3.45Å; L113-H174 WeakPolarHBondContact CD2-CD2 3.38Å; L113-H174 HydrophobicContact CG-CB 4.29Å; L113-H174 PolarHBondContact O-CE1 3Å; L113-P179 WeakPolarHBondContact CD1-O 3.31Å; L113-F206 HydrophobicContact CD1-CE1 3.82Å; L113-F206 HydrophobicContact CD2-CE1 3.88Å; L113-F206 HydrophobicContact CD2-CZ 4.1Å; L113-F206 HydrophobicContact CG-CE1 4.36Å
114	T	89.4	Confident	81.7	Confident	4 Å²	4	68 Å²	68	3%	0.025	36%	0.356	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-135.9	152	-173.6	-179.5	0	0	0	0	112	M1 I112 L140 R141 E142 S178 P179	M1-T114 HydrophobicContact CE-CG2 3.92Å; M1-T114 HydrophobicContact CG-CG2 4.23Å; M1-T114 HydrophobicContact SD-CG2 3.62Å; I112-T114 HydrophobicContact CG2-CG2 4.46Å; T114-L140 WeakPolarHBondContact OG1-CD1 3.05Å; T114-R141 VanDerWaalsContact CA-O 3.31Å; T114-R141 WeakPolarHBondContact CA-O 3.41Å; T114-R141 PolarHBondContact OG1-O 3.48Å; T114-E142 PolarHBondContact OG1-OE1 2.81Å; T114-S178 WeakPolarHBondContact O-CB 3.25Å; T114-S178 PolarHBondContact O-OG 3.11Å; T114-P179 HydrophobicContact CG2-CG 3.97Å; T114-P179 PolarHBondContact N-O 3.43Å; T114-P179 VanDerWaalsContact O-CD 3.3Å; T114-P179 WeakPolarHBondContact O-CD 3.22Å
115	G	88.3	Confident	79.7	Confident	3 Å²	3	73.4 Å²	73.4	3%	0.031	38%	0.379	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-169.4	169.3	-179.7	0	0	0	0	0	111.8	R141	G115-R141 PolarHBondContact N-O 2.93Å; G115-R141 PolarHBondContact O-N 3.11Å
116	Y	87.8	Confident	77.7	Confident	20 Å²	20	77 Å²	77	8%	0.078	40%	0.404	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-97.9	125.7	175.8	-74	-73.4	0	0	0	111.5	M1 A2 L3 S13 I49 A138 R139 L140	M1-Y116 HydrophobicContact CB-CE2 3.9Å; M1-Y116 WeakPolarHBondContact CB-OH 3.02Å; M1-Y116 HydrophobicContact CE-CE2 4.42Å; A2-Y116 WeakPolarHBondContact O-CE2 3.5Å; L3-Y116 HydrophobicContact CB-CD2 3.77Å; L3-Y116 HydrophobicContact CB-CE2 3.97Å; L3-Y116 HydrophobicContact CB-CG 4.43Å; L3-Y116 HydrophobicContact CD1-CD2 4.1Å; L3-Y116 HydrophobicContact CD1-CG 4.3Å; L3-Y116 HydrophobicContact CG-CD2 4.44Å; S13-Y116 PolarHBondContact OG-N 3.12Å; I49-Y116 HydrophobicContact CB-CE1 4.12Å; I49-Y116 HydrophobicContact CD1-CE1 4.1Å; I49-Y116 HydrophobicContact CD1-CE2 4.44Å; I49-Y116 HydrophobicContact CG2-CE1 4.05Å; Y116-A138 HydrophobicContact CD1-CB 3.71Å; Y116-A138 HydrophobicContact CE1-CB 4.37Å; Y116-A138 HydrophobicContact CG-CB 4.17Å; Y116-R139 WeakPolarHBondContact CA-O 3.49Å; Y116-L140 HydrophobicContact CD1-CB 4.48Å; Y116-L140 HydrophobicContact CD1-CD1 4.11Å; Y116-L140 HydrophobicContact CE1-CB 4.19Å; Y116-L140 HydrophobicContact CE1-CD1 3.79Å; Y116-L140 HydrophobicContact CE2-CD1 4.3Å
117	E	86.4	Confident	75.3	Confident	82 Å²	82	82.3 Å²	82.3	38%	0.383	43%	0.431	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-85.8	131.8	159.9	177.6	-172.4	-139	0	0	108.1	A138 R139 R141	E117-A138 CarbonylContact O-C 3.55Å; E117-A138 WeakPolarHBondContact O-CA 3.41Å; E117-R139 PolarHBondContact N-O 3.12Å; E117-R139 PolarHBondContact O-N 2.83Å; E117-R141 HydrophobicContact CB-CG 3.72Å; E117-R141 IonicContact OE1-NH2 2.72Å; E117-R141 PolarHBondContact OE1-NH2 2.93Å; E117-R141 IonicContact OE2-CZ 3.04Å; E117-R141 IonicContact OE2-NE 2.64Å; E117-R141 PolarHBondContact OE2-NE 2.83Å; E117-R141 IonicContact OE2-NH2 2.7Å; E117-R141 PolarHBondContact OE2-NH2 3.48Å
118	V	86.6	Confident	72.8	Confident	35 Å²	35	87.5 Å²	87.5	21%	0.212	44%	0.439	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-119.9	115.1	-166.6	-178.2	0	0	0	0	111.4	L3 V11 V135 R137 A138	L3-V118 HydrophobicContact CD1-CG2 4.35Å; V11-V118 HydrophobicContact CB-CG2 4.49Å; V11-V118 HydrophobicContact CG1-CG1 4.39Å; V11-V118 HydrophobicContact CG2-CB 4.5Å; V11-V118 HydrophobicContact CG2-CG2 4.16Å; V118-V135 HydrophobicContact CG1-CB 4.18Å; V118-V135 HydrophobicContact CG1-CG1 3.32Å; V118-V135 HydrophobicContact CG1-CG2 3.77Å; V118-R137 WeakPolarHBondContact CA-O 3.38Å; V118-A138 HydrophobicContact CG2-CB 4.39Å
119	E	84.5	Confident	70.8	Confident	58 Å²	58	89.3 Å²	89.3	27%	0.271	44%	0.44	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-81.7	117.4	174.5	-61.2	174.4	-173.5	0	0	109.5	S136 R137 R139	E119-S136 WeakPolarHBondContact O-CB 3.49Å; E119-S136 PolarHBondContact O-N 2.64Å; E119-S136 PolarHBondContact O-OG 3.02Å; E119-R137 HydrophobicContact CB-CB 3.86Å; E119-R137 VanDerWaalsContact CD-CD 3.47Å; E119-R137 HydrophobicContact CG-CB 4.08Å; E119-R137 PolarHBondContact N-O 3.27Å; E119-R137 PolarHBondContact O-N 3.2Å; E119-R137 WeakPolarHBondContact OE1-CD 3.39Å; E119-R137 WeakPolarHBondContact OE2-CB 3.19Å; E119-R137 WeakPolarHBondContact OE2-CD 3.39Å; E119-R139 IonicContact OE1-CZ 2.71Å; E119-R139 IonicContact OE1-NE 2.74Å; E119-R139 PolarHBondContact OE1-NE 3.34Å; E119-R139 IonicContact OE1-NH2 3.14Å; E119-R139 PolarHBondContact OE1-NH2 2.78Å
120	R	79.7	Confident	68.7	Low	156 Å²	156	92.6 Å²	92.6	59%	0.589	46%	0.459	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-92.3	140.5	178.3	-71.5	-179.4	168.1	158.9	-10	112.6	G9 G134	G9-R120 PolarHBondContact O-NH2 3.04Å; R120-G134 CarbonylContact C-O 3.48Å; R120-G134 WeakPolarHBondContact CA-O 3.22Å; R120-G134 WeakPolarHBondContact CB-O 3.15Å; R120-G134 WeakPolarHBondContact CG-O 3.37Å
121	R	70.3	Confident	66.8	Low	158 Å²	158	89.2 Å²	89.2	60%	0.596	45%	0.449	S	S	*	.	P	Polyproline II helix	trans	-84	122.8	174.1	-69.6	-163.3	174.5	158.8	4.1	111	T123 G134 S136	R121-T123 VanDerWaalsContact C-N 3.3Å; R121-T123 HydrophobicContact CB-CG2 4.35Å; R121-T123 WeakPolarHBondContact CB-OG1 3.29Å; R121-T123 PolarHBondContact O-N 3.21Å; R121-T123 VanDerWaalsContact O-N 3.16Å; R121-G134 PolarHBondContact N-O 3.29Å; R121-S136 VanDerWaalsContact CG-CB 3.45Å; R121-S136 WeakPolarHBondContact CG-OG 3.37Å; R121-S136 PolarHBondContact N-OG 3.12Å
122	Q	56	Low	65.4	Low	201 Å²	201	91.1 Å²	91.1	94%	0.939	46%	0.458	S	S	*	.			trans	-82.5	73.6	163.3	-65.6	-174.4	4.2	0	0	110
123	T	53.1	Low	64	Low	94 Å²	94	94.3 Å²	94.3	58%	0.577	47%	0.473	S	S	*	.			trans	-136.5	115.1	-179.7	52.1	0	0	0	0	111.1	R121	R121-T123 VanDerWaalsContact C-N 3.3Å; R121-T123 HydrophobicContact CB-CG2 4.35Å; R121-T123 WeakPolarHBondContact CB-OG1 3.29Å; R121-T123 PolarHBondContact O-N 3.21Å; R121-T123 VanDerWaalsContact O-N 3.16Å
124	G	45.8	Very low	62.8	Low	72 Å²	72	96 Å²	96	74%	0.742	49%	0.49	S	S	*	.			trans	-88.1	155.1	-178.7	0	0	0	0	0	114.3	S126	G124-S126 PolarHBondContact O-N 3Å
125	K	43.6	Very low	62.3	Low	213 Å²	213	96.4 Å²	96.4	93%	0.926	49%	0.493	S	S	*	.			trans	48.8	42.1	164.8	-67.3	-171.7	175.6	-179.2	0	116.9
126	S	43.7	Very low	61.8	Low	85 Å²	85	98 Å²	98	59%	0.594	50%	0.503	S	S	*	.			trans	-99.8	103.5	163.2	60.7	0	0	0	0	110.7	G124	G124-S126 PolarHBondContact O-N 3Å
127	N	38.5	Very low	61.7	Low	140 Å²	140	101.1 Å²	101.1	75%	0.749	52%	0.515	S	S	*	.			trans	-65.4	152.5	175.3	-65.7	-38.9	0	0	0	111.5
128	Y	34.2	Very low	61.8	Low	199 Å²	199	97.2 Å²	97.2	78%	0.78	50%	0.497	S	S	*	.	S	Bend	trans	74.9	68.7	171.7	-55.8	-80.2	0	0	0	117.6
129	N	43.7	Very low	61.9	Low	145 Å²	145	100.9 Å²	100.9	78%	0.775	51%	0.507	S	S	*	.				-166.1	76.6	124.6	-95	-21.1	0	0	0	110.6	L131	N129-L131 VanDerWaalsContact C-N 3.25Å; N129-L131 PolarHBondContact O-N 3.17Å
130	V	45.2	Very low	62.1	Low	77 Å²	77	101.8 Å²	101.8	47%	0.467	51%	0.513	S	S	.	.	T	Hydrogen-bonded Turn	trans	-74	7.4	-151.2	-173.7	0	0	0	0	116.1	E133	V130-E133 WeakPolarHBondContact CA-OE1 3.48Å
131	L	53.5	Low	62.5	Low	96 Å²	96	98.8 Å²	98.8	50%	0.503	50%	0.502	S	S	.	.	T	Hydrogen-bonded Turn	trans	-109.1	-8.5	-175.6	-68.2	176.4	0	0	0	115.2	V44 N129	V44-L131 HydrophobicContact CG1-CB 4.29Å; V44-L131 HydrophobicContact CG1-CD1 4.31Å; V44-L131 HydrophobicContact CG1-CD2 4.39Å; N129-L131 VanDerWaalsContact C-N 3.25Å; N129-L131 PolarHBondContact O-N 3.17Å
132	I	62.2	Low	63.3	Low	41 Å²	41	96.3 Å²	96.3	21%	0.21	50%	0.497	C	S	.	.	S	Bend	trans	-136.8	38.9	176.4	-40.9	178.1	0	0	0	109.7	V5 L46 M55 I62 G134 V135	V5-I132 HydrophobicContact CG1-CG2 4.48Å; L46-I132 HydrophobicContact CD2-CD1 4.02Å; M55-I132 HydrophobicContact CB-CD1 4.45Å; M55-I132 HydrophobicContact SD-CG2 3.67Å; I62-I132 HydrophobicContact CD1-CD1 3.95Å; I132-G134 PolarHBondContact O-N 3.18Å; I132-V135 HydrophobicContact CG2-CB 4.03Å
133	E	60.7	Low	64.7	Low	99 Å²	99	88.5 Å²	88.5	46%	0.463	46%	0.461	S	S	.	.	T	Hydrogen-bonded Turn	trans	-66.7	129.9	177.2	-71.2	-173.9	-173.7	0	0	110.5	V130	V130-E133 WeakPolarHBondContact CA-OE1 3.48Å
134	G	66.5	Low	66.3	Low	37 Å²	37	88.3 Å²	88.3	38%	0.381	47%	0.469	S	S	.	.	T	Hydrogen-bonded Turn	trans	94.5	-12.7	179.6	0	0	0	0	0	116.4	R120 R121 I132	R120-G134 CarbonylContact C-O 3.48Å; R120-G134 WeakPolarHBondContact CA-O 3.22Å; R120-G134 WeakPolarHBondContact CB-O 3.15Å; R120-G134 WeakPolarHBondContact CG-O 3.37Å; R121-G134 PolarHBondContact N-O 3.29Å; I132-G134 PolarHBondContact O-N 3.18Å
135	V	77.2	Confident	68.1	Low	13 Å²	13	85.7 Å²	85.7	8%	0.079	44%	0.438	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-112.3	129	179.3	-177.9	0	0	0	0	112.7	V11 M55 V118 I132	V11-V135 HydrophobicContact CG1-CG2 4.22Å; M55-V135 HydrophobicContact CE-CB 4.36Å; M55-V135 HydrophobicContact CE-CG1 3.31Å; M55-V135 HydrophobicContact SD-CB 4.35Å; M55-V135 HydrophobicContact SD-CG1 3.73Å; V118-V135 HydrophobicContact CG1-CB 4.18Å; V118-V135 HydrophobicContact CG1-CG1 3.32Å; V118-V135 HydrophobicContact CG1-CG2 3.77Å; I132-V135 HydrophobicContact CG2-CB 4.03Å
136	S	78.9	Confident	70	Confident	36 Å²	36	78.3 Å²	78.3	25%	0.252	41%	0.413	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-95	-37.3	177.8	-1.9	0	0	0	0	113.4	E119 R121	E119-S136 WeakPolarHBondContact O-CB 3.49Å; E119-S136 PolarHBondContact O-N 2.64Å; E119-S136 PolarHBondContact O-OG 3.02Å; R121-S136 VanDerWaalsContact CG-CB 3.45Å; R121-S136 WeakPolarHBondContact CG-OG 3.37Å; R121-S136 PolarHBondContact N-OG 3.12Å
137	R	86.3	Confident	71.7	Confident	86 Å²	86	74.5 Å²	74.5	33%	0.325	39%	0.387	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-161.8	148.1	-163.1	-149.4	178.8	-165.2	159.2	6.6	110.3	N52 G53 V118 E119	N52-R137 VanDerWaalsContact O-CZ 3.27Å; N52-R137 PolarHBondContact O-NE 3.18Å; N52-R137 PolarHBondContact O-NH2 3.4Å; G53-R137 WeakPolarHBondContact O-CA 3.48Å; G53-R137 WeakPolarHBondContact O-CG 3.4Å; V118-R137 WeakPolarHBondContact CA-O 3.38Å; E119-R137 HydrophobicContact CB-CB 3.86Å; E119-R137 VanDerWaalsContact CD-CD 3.47Å; E119-R137 HydrophobicContact CG-CB 4.08Å; E119-R137 PolarHBondContact N-O 3.27Å; E119-R137 PolarHBondContact O-N 3.2Å; E119-R137 WeakPolarHBondContact OE1-CD 3.39Å; E119-R137 WeakPolarHBondContact OE2-CB 3.19Å; E119-R137 WeakPolarHBondContact OE2-CD 3.39Å
138	A	88.2	Confident	73.6	Confident	0 Å²	0	71.9 Å²	71.9	0%	0	38%	0.379	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-129.2	111.5	167.3	0	0	0	0	0	109.7	L3 I49 G53 M55 Y116 E117 V118	L3-A138 HydrophobicContact CD2-CB 3.74Å; I49-A138 HydrophobicContact CD1-CB 4.25Å; I49-A138 HydrophobicContact CG2-CB 4.44Å; I49-A138 WeakPolarHBondContact CG2-O 3.5Å; G53-A138 WeakPolarHBondContact CA-O 3.42Å; G53-A138 PolarHBondContact O-N 3.04Å; M55-A138 HydrophobicContact CE-CB 3.51Å; Y116-A138 HydrophobicContact CD1-CB 3.71Å; Y116-A138 HydrophobicContact CE1-CB 4.37Å; Y116-A138 HydrophobicContact CG-CB 4.17Å; E117-A138 CarbonylContact O-C 3.55Å; E117-A138 WeakPolarHBondContact O-CA 3.41Å; V118-A138 HydrophobicContact CG2-CB 4.39Å
139	R	88.6	Confident	75.7	Confident	113 Å²	113	64.2 Å²	64.2	43%	0.426	36%	0.357	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-87.5	130.5	174.5	-59.7	-171.3	-169.3	-152.5	8.6	108.7	Y116 E117 E119	Y116-R139 WeakPolarHBondContact CA-O 3.49Å; E117-R139 PolarHBondContact N-O 3.12Å; E117-R139 PolarHBondContact O-N 2.83Å; E119-R139 IonicContact OE1-CZ 2.71Å; E119-R139 IonicContact OE1-NE 2.74Å; E119-R139 PolarHBondContact OE1-NE 3.34Å; E119-R139 IonicContact OE1-NH2 3.14Å; E119-R139 PolarHBondContact OE1-NH2 2.78Å
140	L	88.7	Confident	77.5	Confident	76 Å²	76	58 Å²	58	40%	0.398	32%	0.324	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-71.7	133.3	170.8	-165.8	67.7	0	0	0	109.2	M1 T114 Y116 E142	M1-L140 HydrophobicContact CB-CD1 4.19Å; M1-L140 HydrophobicContact CE-CD1 4.34Å; M1-L140 HydrophobicContact CG-CD1 3.94Å; T114-L140 WeakPolarHBondContact OG1-CD1 3.05Å; Y116-L140 HydrophobicContact CD1-CB 4.48Å; Y116-L140 HydrophobicContact CD1-CD1 4.11Å; Y116-L140 HydrophobicContact CE1-CB 4.19Å; Y116-L140 HydrophobicContact CE1-CD1 3.79Å; Y116-L140 HydrophobicContact CE2-CD1 4.3Å; L140-E142 HydrophobicContact CD2-CG 4.29Å; L140-E142 WeakPolarHBondContact CD2-OE1 3.2Å; L140-E142 HydrophobicContact CG-CG 4.17Å
141	R	87.8	Confident	79.3	Confident	93 Å²	93	55.8 Å²	55.8	35%	0.351	31%	0.313	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-124.3	129.5	177.7	-67.7	-59.5	-164.6	145.5	11.6	109.4	T114 G115 E117 V172	T114-R141 VanDerWaalsContact CA-O 3.31Å; T114-R141 WeakPolarHBondContact CA-O 3.41Å; T114-R141 PolarHBondContact OG1-O 3.48Å; G115-R141 PolarHBondContact N-O 2.93Å; G115-R141 PolarHBondContact O-N 3.11Å; E117-R141 HydrophobicContact CB-CG 3.72Å; E117-R141 IonicContact OE1-NH2 2.72Å; E117-R141 PolarHBondContact OE1-NH2 2.93Å; E117-R141 IonicContact OE2-CZ 3.04Å; E117-R141 IonicContact OE2-NE 2.64Å; E117-R141 PolarHBondContact OE2-NE 2.83Å; E117-R141 IonicContact OE2-NH2 2.7Å; E117-R141 PolarHBondContact OE2-NH2 3.48Å; R141-V172 HydrophobicContact CB-CG1 4Å
142	E	87.1	Confident	80.6	Confident	107 Å²	107	52.7 Å²	52.7	50%	0.5	30%	0.298	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-131.4	139.7	-171.1	-54.9	-158.8	137.4	0	0	111	I112 L113 T114 L140	I112-E142 HydrophobicContact CG2-CB 3.9Å; I112-E142 HydrophobicContact CG2-CG 4.29Å; L113-E142 WeakPolarHBondContact O-CA 3.32Å; T114-E142 PolarHBondContact OG1-OE1 2.81Å; L140-E142 HydrophobicContact CD2-CG 4.29Å; L140-E142 WeakPolarHBondContact CD2-OE1 3.2Å; L140-E142 HydrophobicContact CG-CG 4.17Å
143	M	85.1	Confident	81.4	Confident	36 Å²	36	54.7 Å²	54.7	18%	0.177	31%	0.307	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-124.5	116.1	174.5	178.8	-179.4	-69.6	0	0	108	I112 L113 L145 V172 H174	I112-M143 WeakPolarHBondContact CA-O 3.46Å; L113-M143 HydrophobicContact CB-CB 4.45Å; L113-M143 PolarHBondContact N-O 3.44Å; L113-M143 PolarHBondContact O-N 3.15Å; M143-L145 HydrophobicContact CG-CD2 3.9Å; M143-L145 HydrophobicContact CG-CG 4.26Å; M143-L145 HydrophobicContact SD-CD2 4.09Å; M143-V172 HydrophobicContact CE-CB 4.14Å; M143-H174 VanDerWaalsContact CB-NE2 3.29Å; M143-H174 WeakPolarHBondContact CB-NE2 3.29Å
144	A	86.8	Confident	81.9	Confident	91 Å²	91	53.9 Å²	53.9	75%	0.752	31%	0.312	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-81.1	131.3	179.5	0	0	0	0	0	110.7
145	L	84.2	Confident	81.9	Confident	17 Å²	17	59.2 Å²	59.2	9%	0.089	33%	0.325	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-134.5	153	-167.4	-63.8	175.5	0	0	0	111.3	C111 L113 M143 L163 D165 L180	C111-L145 HydrophobicContact CB-CB 3.98Å; C111-L145 PolarHBondContact N-O 3.04Å; C111-L145 PolarHBondContact O-N 3.11Å; L113-L145 HydrophobicContact CB-CD1 3.79Å; M143-L145 HydrophobicContact CG-CD2 3.9Å; M143-L145 HydrophobicContact CG-CG 4.26Å; M143-L145 HydrophobicContact SD-CD2 4.09Å; L145-L163 HydrophobicContact CD1-CD2 3.7Å; L145-L163 HydrophobicContact CD2-CD2 3.74Å; L145-L163 HydrophobicContact CG-CD2 4.27Å; L145-D165 WeakPolarHBondContact CD2-OD2 3.43Å; L145-L180 HydrophobicContact CD1-CD1 3.91Å
146	S	82.7	Confident	81.3	Confident	57 Å²	57	65.8 Å²	65.8	40%	0.399	35%	0.354	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-95.6	128.5	172.8	-174.1	0	0	0	0	111.5	S148 A149	S146-S148 PolarHBondContact O-N 2.82Å; S146-S148 PolarHBondContact OG-N 3.33Å; S146-S148 PolarHBondContact OG-OG 2.85Å; S146-A149 PolarHBondContact O-N 3.06Å; S146-A149 VanDerWaalsContact O-N 3.09Å
147	A	79.8	Confident	80.7	Confident	5 Å²	5	72.9 Å²	72.9	4%	0.041	38%	0.376	C	S	.	.	G	3₁₀ helix	trans	-59	-27.4	173.1	0	0	0	0	0	113.4	P105 P106 S109 A149 I150	P105-A147 HydrophobicContact CB-CB 3.88Å; P105-A147 HydrophobicContact CG-CB 3.84Å; P106-A147 WeakPolarHBondContact O-CB 3.35Å; S109-A147 WeakPolarHBondContact O-CB 3.13Å; S109-A147 PolarHBondContact O-N 2.04Å; A147-A149 PolarHBondContact O-N 3.39Å; A147-I150 WeakPolarHBondContact O-CB 3.41Å; A147-I150 PolarHBondContact O-N 3.03Å
148	S	79.3	Confident	79.9	Confident	85 Å²	85	69.3 Å²	69.3	59%	0.594	36%	0.363	S	S	*	.	G	3₁₀ helix	trans	-61.1	-20.6	175.4	64.2	0	0	0	0	114.4	S107 S146	S107-S148 WeakPolarHBondContact O-CB 3.29Å; S107-S148 PolarHBondContact O-N 3.39Å; S146-S148 PolarHBondContact O-N 2.82Å; S146-S148 PolarHBondContact OG-N 3.33Å; S146-S148 PolarHBondContact OG-OG 2.85Å
149	A	77.2	Confident	79.4	Confident	38 Å²	38	72 Å²	72	31%	0.314	37%	0.373	S	S	.	.	G	3₁₀ helix	trans	-88.1	-2.2	176.9	0	0	0	0	0	113.7	S146 A147 L163 K164	S146-A149 PolarHBondContact O-N 3.06Å; S146-A149 VanDerWaalsContact O-N 3.09Å; A147-A149 PolarHBondContact O-N 3.39Å; A149-L163 HydrophobicContact CB-CD1 3.82Å; A149-K164 PolarHBondContact O-N 3.37Å
150	I	81.1	Confident	79.1	Confident	15 Å²	15	68 Å²	68	8%	0.077	36%	0.358	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-93.2	110.9	-177.3	-57.7	173.9	0	0	0	110.7	P105 A147 L161 L163 L180	P105-I150 HydrophobicContact CG-CD1 3.88Å; A147-I150 WeakPolarHBondContact O-CB 3.41Å; A147-I150 PolarHBondContact O-N 3.03Å; I150-L161 HydrophobicContact CG2-CB 3.94Å; I150-L161 HydrophobicContact CG2-CD2 3.98Å; I150-L161 HydrophobicContact CG2-CG 4.37Å; I150-L163 HydrophobicContact CG1-CD1 3.76Å; I150-L180 HydrophobicContact CD1-CD2 4.08Å
151	A	84	Confident	79.1	Confident	30 Å²	30	64.5 Å²	64.5	25%	0.248	34%	0.339	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-92.4	141.1	165.6	0	0	0	0	0	110.3	L161 H162	A151-L161 CarbonylContact O-C 3.41Å; A151-L161 WeakPolarHBondContact O-CA 3.37Å; A151-H162 PolarHBondContact N-O 3.49Å; A151-H162 PolarHBondContact O-N 2.96Å
152	V	80.8	Confident	79.1	Confident	31 Å²	31	61.9 Å²	61.9	19%	0.188	33%	0.331	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-85.7	124.8	159.1	169.4	0	0	0	0	106.6	S103 K104 R159 R160 L161	S103-V152 WeakPolarHBondContact O-CG2 3.41Å; K104-V152 HydrophobicContact CD-CG2 4.14Å; K104-V152 HydrophobicContact CG-CG2 3.62Å; V152-R159 HydrophobicContact CG1-CB 4.48Å; V152-R159 HydrophobicContact CG1-CG 4.42Å; V152-R160 CarbonylContact C-O 3.49Å; V152-R160 WeakPolarHBondContact CA-O 3.17Å; V152-L161 HydrophobicContact CG2-CD2 3.53Å
153	H	78.9	Confident	79	Confident	84 Å²	84	56.9 Å²	56.9	39%	0.389	31%	0.308	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-107.1	129.7	164.5	-71.6	-109.2	0	0	0	108.2	R160 H162	H153-R160 PolarHBondContact N-O 3.01Å; H153-R160 PolarHBondContact O-N 3.14Å; H153-H162 AromaticContact CD2-CD2 3.63Å; H153-H162 AromaticContact CD2-CG 3.68Å; H153-H162 AromaticContact CG-CD2 3.74Å
154	S	71.3	Confident	78.6	Confident	81 Å²	81	62.1 Å²	62.1	57%	0.566	33%	0.329	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-105	128.6	165.3	-171.5	0	0	0	0	108
155	K	65.1	Low	77.6	Confident	150 Å²	150	59.3 Å²	59.3	65%	0.652	30%	0.302	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-135.8	129.8	166.9	-170.2	-177.1	174.9	-170	0	107.5	R157 I158	K155-R157 PolarHBondContact O-N 3.45Å; K155-I158 PolarHBondContact N-O 3.22Å; K155-I158 VanDerWaalsContact N-O 3.17Å; K155-I158 PolarHBondContact O-N 3.36Å
156	E	66.3	Low	76.2	Confident	150 Å²	150	68.1 Å²	68.1	70%	0.701	34%	0.34	S	S	*	.	T	Hydrogen-bonded Turn	trans	56.3	-129.3	-168.2	-62.3	147.8	-132.6	0	0	110.1
157	R	66	Low	74.8	Confident	186 Å²	186	68.8 Å²	68.8	70%	0.702	34%	0.344	S	S	*	.	T	Hydrogen-bonded Turn	trans	-93.9	-3	177.2	-70.9	-177.5	175.1	177.2	-1.7	114	Y74 K155	Y74-R157 HydrophobicContact CE1-CB 4.46Å; Y74-R157 HydrophobicContact CE2-CB 4.22Å; Y74-R157 WeakPolarHBondContact OH-CD 3.32Å; Y74-R157 PolarHBondContact OH-NH1 3.06Å; K155-R157 PolarHBondContact O-N 3.45Å
158	I	68.7	Low	73.4	Confident	10 Å²	10	74.9 Å²	74.9	5%	0.051	38%	0.376	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-101.1	125.7	-171.5	-48.4	177.7	0	0	0	109.3	Y74 Q76 E77 K155 R160	Y74-I158 HydrophobicContact CD2-CG1 4.12Å; Y74-I158 HydrophobicContact CG-CD1 4.11Å; Y74-I158 HydrophobicContact CG-CG1 4.08Å; Q76-I158 HydrophobicContact CB-CD1 3.93Å; Q76-I158 HydrophobicContact CG-CD1 4.39Å; E77-I158 HydrophobicContact CG-CG2 4.41Å; K155-I158 PolarHBondContact N-O 3.22Å; K155-I158 VanDerWaalsContact N-O 3.17Å; K155-I158 PolarHBondContact O-N 3.36Å; I158-R160 HydrophobicContact CG2-CG 4.33Å
159	R	77.1	Confident	72.1	Confident	58 Å²	58	74.9 Å²	74.9	22%	0.219	37%	0.365	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-98.2	140.7	170.4	-74.8	171.6	60.6	163.4	19.8	111.2	S103 V152 D208 D211	S103-R159 PolarHBondContact OG-NH2 3.15Å; V152-R159 HydrophobicContact CG1-CB 4.48Å; V152-R159 HydrophobicContact CG1-CG 4.42Å; R159-D208 HydrophobicContact CB-CB 3.83Å; R159-D208 IonicContact CZ-OD2 2.74Å; R159-D208 IonicContact NE-OD2 3.55Å; R159-D208 PolarHBondContact NE-OD2 3.35Å; R159-D208 IonicContact NH2-OD2 2.63Å; R159-D208 WeakPolarHBondContact O-CB 3.46Å; R159-D208 PolarHBondContact O-N 2.87Å; R159-D211 HydrophobicContact CB-CB 4.21Å; R159-D211 VanDerWaalsContact CD-OD1 3.31Å; R159-D211 WeakPolarHBondContact CD-OD1 3.39Å; R159-D211 WeakPolarHBondContact CD-OD2 3.3Å; R159-D211 IonicContact CZ-OD1 2.69Å; R159-D211 IonicContact NE-OD1 3.4Å; R159-D211 IonicContact NH1-OD1 3.12Å; R159-D211 PolarHBondContact NH1-OD1 3.06Å
160	R	84.4	Confident	70.6	Confident	29 Å²	29	77 Å²	77	11%	0.109	38%	0.375	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-136.8	145.2	-178.6	-66.5	-176.1	175.1	119.9	7.4	110.5	Q76 V152 H153 I158 L198 V205 F206	Q76-R160 PolarHBondContact O-NH2 3.2Å; Q76-R160 VanDerWaalsContact O-NH2 3.15Å; V152-R160 CarbonylContact C-O 3.49Å; V152-R160 WeakPolarHBondContact CA-O 3.17Å; H153-R160 PolarHBondContact N-O 3.01Å; H153-R160 PolarHBondContact O-N 3.14Å; I158-R160 HydrophobicContact CG2-CG 4.33Å; R160-L198 VanDerWaalsContact CZ-CD1 3.45Å; R160-L198 VanDerWaalsContact NE-CD1 3.33Å; R160-V205 HydrophobicContact CB-CG1 4.22Å; R160-V205 HydrophobicContact CG-CG1 4.41Å; R160-F206 CarbonylContact C-O 3.51Å; R160-F206 VanDerWaalsContact CA-O 3.3Å; R160-F206 WeakPolarHBondContact CA-O 3.36Å; R160-F206 WeakPolarHBondContact CB-O 3.33Å
161	L	87.3	Confident	69.3	Low	1 Å²	1	83.4 Å²	83.4	1%	0.005	41%	0.409	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-87.8	124.9	166.3	-54.6	178	0	0	0	107.6	I150 A151 V152 L180 Y191 V205 F206 D208	I150-L161 HydrophobicContact CG2-CB 3.94Å; I150-L161 HydrophobicContact CG2-CD2 3.98Å; I150-L161 HydrophobicContact CG2-CG 4.37Å; A151-L161 CarbonylContact O-C 3.41Å; A151-L161 WeakPolarHBondContact O-CA 3.37Å; V152-L161 HydrophobicContact CG2-CD2 3.53Å; L161-L180 HydrophobicContact CD1-CD2 4.15Å; L161-Y191 VanDerWaalsContact CD1-O 3.28Å; L161-Y191 WeakPolarHBondContact CD1-O 3.39Å; L161-V205 WeakPolarHBondContact O-CA 3.24Å; L161-F206 HydrophobicContact CB-CB 4.2Å; L161-F206 HydrophobicContact CB-CD2 4.24Å; L161-F206 PolarHBondContact N-O 3.4Å; L161-F206 PolarHBondContact O-N 2.87Å; L161-D208 HydrophobicContact CD2-CB 4.46Å; L161-D208 HydrophobicContact CG-CB 4.37Å
162	H	88.6	Confident	68	Low	38 Å²	38	83.8 Å²	83.8	18%	0.176	41%	0.408	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-111.1	117	169.8	-71.6	-116.4	0	0	0	108.1	A151 H153 D203 V205	A151-H162 PolarHBondContact N-O 3.49Å; A151-H162 PolarHBondContact O-N 2.96Å; H153-H162 AromaticContact CD2-CD2 3.63Å; H153-H162 AromaticContact CD2-CG 3.68Å; H153-H162 AromaticContact CG-CD2 3.74Å; H162-D203 IonicContact ND1-OD2 2.75Å; H162-V205 VanDerWaalsContact CE1-CG2 3.48Å; H162-V205 WeakPolarHBondContact CE1-CG2 3.11Å; H162-V205 WeakPolarHBondContact ND1-CG2 3.42Å
163	L	83.6	Confident	67	Low	2 Å²	2	88.9 Å²	88.9	1%	0.01	44%	0.439	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-92.1	115.3	169.9	177.4	84.9	0	0	0	108.2	L145 A149 I150 D165 D203 S204 F206	L145-L163 HydrophobicContact CD1-CD2 3.7Å; L145-L163 HydrophobicContact CD2-CD2 3.74Å; L145-L163 HydrophobicContact CG-CD2 4.27Å; A149-L163 HydrophobicContact CB-CD1 3.82Å; I150-L163 HydrophobicContact CG1-CD1 3.76Å; L163-D165 VanDerWaalsContact C-N 3.29Å; L163-D165 HydrophobicContact CD2-CB 3.99Å; L163-D165 HydrophobicContact CG-CB 4.28Å; L163-D165 PolarHBondContact O-N 2.88Å; L163-D203 VanDerWaalsContact O-CA 3.28Å; L163-D203 WeakPolarHBondContact O-CA 3.41Å; L163-S204 PolarHBondContact N-O 3.33Å; L163-S204 PolarHBondContact O-N 3.27Å; L163-F206 HydrophobicContact CB-CE2 3.82Å
164	K	76.7	Confident	66.7	Low	146 Å²	146	85.7 Å²	85.7	64%	0.635	42%	0.424	S	S	*	.			trans	-83.3	74	174.1	-71.8	-173.4	179	-179.9	0	110.8	A149	A149-K164 PolarHBondContact O-N 3.37Å
165	D	67.4	Low	67.2	Low	32 Å²	32	83.8 Å²	83.8	17%	0.171	41%	0.411	C	S	.	.			trans	-80.4	130.1	176.9	-148.7	-31.4	0	0	0	111.7	L145 L163 S167 K202	L145-D165 WeakPolarHBondContact CD2-OD2 3.43Å; L163-D165 VanDerWaalsContact C-N 3.29Å; L163-D165 HydrophobicContact CD2-CB 3.99Å; L163-D165 HydrophobicContact CG-CB 4.28Å; L163-D165 PolarHBondContact O-N 2.88Å; D165-S167 VanDerWaalsContact OD1-CB 3.31Å; D165-S167 WeakPolarHBondContact OD1-CB 3.4Å; D165-S167 PolarHBondContact OD1-N 3.23Å; D165-S167 PolarHBondContact OD1-OG 2.94Å; D165-S167 PolarHBondContact OD2-OG 3.25Å; D165-K202 CarbonylContact O-C 3.43Å; D165-K202 VanDerWaalsContact O-O 3.13Å
166	K	53.4	Low	68.1	Low	203 Å²	203	78.8 Å²	78.8	88%	0.883	39%	0.391	S	S	*	.			trans	-104.9	-9.3	173.1	-75.3	-174.2	177.4	-179.1	0	112.4
167	S	54.7	Low	69	Low	70 Å²	70	71.7 Å²	71.7	49%	0.49	36%	0.358	S	S	.	.	S	Bend	trans	-62.7	136.8	170.5	67.3	0	0	0	0	108.8	D165 K169	D165-S167 VanDerWaalsContact OD1-CB 3.31Å; D165-S167 WeakPolarHBondContact OD1-CB 3.4Å; D165-S167 PolarHBondContact OD1-N 3.23Å; D165-S167 PolarHBondContact OD1-OG 2.94Å; D165-S167 PolarHBondContact OD2-OG 3.25Å; S167-K169 PolarHBondContact O-N 3.01Å
168	N	49.6	Very low	70.2	Confident	133 Å²	133	62.8 Å²	62.8	71%	0.711	32%	0.324	S	S	*	.			trans	-62	137.4	175	-172.1	18.1	0	0	0	108	T170	N168-T170 HydrophobicContact CB-CG2 4.13Å; N168-T170 PolarHBondContact O-N 2.83Å
169	K	52.6	Low	71.3	Confident	86 Å²	86	62.4 Å²	62.4	37%	0.374	32%	0.322	S	S	.	.			trans	-75	60	-177.2	-66.9	-174.3	177.9	-179.1	0	110.9	S167 D171 G200 D203 S204	S167-K169 PolarHBondContact O-N 3.01Å; K169-D171 PolarHBondContact O-N 2.96Å; K169-G200 PolarHBondContact NZ-O 3.32Å; K169-D203 PolarHBondContact NZ-O 3.02Å; K169-S204 PolarHBondContact NZ-OG 3.18Å
170	T	44.8	Very low	72	Confident	83 Å²	83	59.6 Å²	59.6	51%	0.509	31%	0.312	S	S	.	.			trans	-70.9	114.7	-177.4	49.9	0	0	0	0	110.7	N168 V172	N168-T170 HydrophobicContact CB-CG2 4.13Å; N168-T170 PolarHBondContact O-N 2.83Å; T170-V172 PolarHBondContact O-N 3.5Å
171	D	53.1	Low	72.5	Confident	148 Å²	148	58.8 Å²	58.8	79%	0.791	31%	0.31	S	S	*	.	S	Bend	trans	60.4	1.4	158.9	-47.9	-26.4	0	0	0	118.7	K169	K169-D171 PolarHBondContact O-N 2.96Å
172	V	57.8	Low	72.9	Confident	38 Å²	38	58.8 Å²	58.8	23%	0.23	31%	0.31	C	S	.	.			trans	-110.1	91.4	176.5	-168.6	0	0	0	0	111.7	R141 M143 T170 H174	R141-V172 HydrophobicContact CB-CG1 4Å; M143-V172 HydrophobicContact CE-CB 4.14Å; T170-V172 PolarHBondContact O-N 3.5Å; V172-H174 VanDerWaalsContact CG1-NE2 3.28Å; V172-H174 WeakPolarHBondContact CG1-NE2 3.47Å; V172-H174 PolarHBondContact O-N 2.91Å; V172-H174 VanDerWaalsContact O-N 3.13Å
173	V	60.5	Low	73.1	Confident	139 Å²	139	59 Å²	59	84%	0.842	31%	0.312	S	S	*	.			trans	-79	91	175.3	-175.7	0	0	0	0	110.3
174	H	72.2	Confident	73.2	Confident	17 Å²	17	62.7 Å²	62.7	8%	0.079	33%	0.329	C	S	.	.	P	Polyproline II helix	trans	-72.7	132.2	169	-67	-69	0	0	0	111.2	L113 M143 V172 Y194	L113-H174 HydrophobicContact CD2-CB 4.05Å; L113-H174 VanDerWaalsContact CD2-CD2 3.45Å; L113-H174 WeakPolarHBondContact CD2-CD2 3.38Å; L113-H174 HydrophobicContact CG-CB 4.29Å; L113-H174 PolarHBondContact O-CE1 3Å; M143-H174 VanDerWaalsContact CB-NE2 3.29Å; M143-H174 WeakPolarHBondContact CB-NE2 3.29Å; V172-H174 VanDerWaalsContact CG1-NE2 3.28Å; V172-H174 WeakPolarHBondContact CG1-NE2 3.47Å; V172-H174 PolarHBondContact O-N 2.91Å; V172-H174 VanDerWaalsContact O-N 3.13Å; H174-Y194 HydrophobicContact CB-CD1 4Å; H174-Y194 HydrophobicContact CB-CE1 4.15Å; H174-Y194 WeakPolarHBondContact O-CE1 3.36Å
175	S	80.7	Confident	73.5	Confident	41 Å²	41	59.4 Å²	59.4	29%	0.287	34%	0.337	S	S	.	.	P	Polyproline II helix	trans	-84.2	162	-179.1	43.1	0	0	0	0	112.1	S13 G177 S178	S13-S175 PolarHBondContact OG-OG 3.48Å; S175-G177 PolarHBondContact O-N 3.34Å; S175-S178 PolarHBondContact N-OG 3.38Å; S175-S178 WeakPolarHBondContact O-CB 3.33Å; S175-S178 PolarHBondContact O-N 2.93Å; S175-S178 PolarHBondContact O-OG 2.78Å
176	I	84.4	Confident	74.6	Confident	44 Å²	44	60.5 Å²	60.5	23%	0.226	36%	0.355	C	S	.	.	T	Hydrogen-bonded Turn	trans	-57.4	136.7	171.2	-167.6	161.2	0	0	0	110.2	S33 C34 D78 S178 P196	S33-I176 WeakPolarHBondContact OG-CD1 3.4Å; C34-I176 HydrophobicContact CB-CG2 4.1Å; D78-I176 WeakPolarHBondContact OD2-CD1 3.4Å; D78-I176 WeakPolarHBondContact OD2-CG1 3.35Å; I176-S178 VanDerWaalsContact C-N 3.3Å; I176-S178 PolarHBondContact O-N 2.87Å; I176-P196 HydrophobicContact CB-CG 3.91Å; I176-P196 HydrophobicContact CG1-CG 4.41Å
177	G	85.2	Confident	76.5	Confident	1 Å²	1	55.9 Å²	55.9	1%	0.01	34%	0.34	C	S	.	.	T	Hydrogen-bonded Turn	trans	81	-3.2	-172.7	0	0	0	0	0	115.6	S175 P179 Y194	S175-G177 PolarHBondContact O-N 3.34Å; G177-P179 WeakPolarHBondContact O-CD 3.42Å; G177-Y194 PolarHBondContact N-O 2.98Å
178	S	90.5	Very high	78.4	Confident	0 Å²	0	57.2 Å²	57.2	0%	0	33%	0.334	C	S	.	.			trans	-55.4	121.8	172.7	-87.2	0	0	0	0	111	S13 T114 S175 I176 Y194	S13-S178 PolarHBondContact OG-OG 3.31Å; T114-S178 WeakPolarHBondContact O-CB 3.25Å; T114-S178 PolarHBondContact O-OG 3.11Å; S175-S178 PolarHBondContact N-OG 3.38Å; S175-S178 WeakPolarHBondContact O-CB 3.33Å; S175-S178 PolarHBondContact O-N 2.93Å; S175-S178 PolarHBondContact O-OG 2.78Å; I176-S178 VanDerWaalsContact C-N 3.3Å; I176-S178 PolarHBondContact O-N 2.87Å; S178-Y194 WeakPolarHBondContact O-CB 3.35Å; S178-Y194 PolarHBondContact O-N 2.93Å
179	P	92.9	Very high	80.5	Confident	1 Å²	1	51.5 Å²	51.5	1%	0.006	30%	0.304	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-73.7	137.8	-176.1	29.5	-38.2	0	0	0	112.7	M1 V15 L113 T114 G177 V181 L190 G192	M1-P179 HydrophobicContact CE-CG 3.82Å; M1-P179 HydrophobicContact SD-CG 3.62Å; V15-P179 HydrophobicContact CB-CB 4.23Å; V15-P179 HydrophobicContact CB-CG 4.11Å; V15-P179 HydrophobicContact CG1-CB 4.27Å; L113-P179 WeakPolarHBondContact CD1-O 3.31Å; T114-P179 HydrophobicContact CG2-CG 3.97Å; T114-P179 PolarHBondContact N-O 3.43Å; T114-P179 VanDerWaalsContact O-CD 3.3Å; T114-P179 WeakPolarHBondContact O-CD 3.22Å; G177-P179 WeakPolarHBondContact O-CD 3.42Å; P179-V181 HydrophobicContact CB-CG1 4.4Å; P179-L190 HydrophobicContact CB-CD1 3.64Å; P179-G192 WeakPolarHBondContact CA-O 3.49Å
180	L	92.6	Very high	82.4	Confident	0 Å²	0	47.4 Å²	47.4	0%	0	29%	0.286	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-94.6	106.4	164.1	176.6	64.6	0	0	0	108.3	C111 L145 I150 L161 Y191 G192 F206	C111-L180 HydrophobicContact CB-CD1 4.09Å; L145-L180 HydrophobicContact CD1-CD1 3.91Å; I150-L180 HydrophobicContact CD1-CD2 4.08Å; L161-L180 HydrophobicContact CD1-CD2 4.15Å; L180-Y191 PolarHBondContact O-N 3.15Å; L180-G192 PolarHBondContact N-O 3.41Å; L180-G192 PolarHBondContact O-N 2.89Å; L180-F206 HydrophobicContact CB-CD1 3.79Å; L180-F206 HydrophobicContact CB-CE1 3.96Å; L180-F206 HydrophobicContact CB-CG 4.37Å; L180-F206 HydrophobicContact CD2-CD1 4.05Å; L180-F206 HydrophobicContact CD2-CD2 3.82Å; L180-F206 HydrophobicContact CD2-CE1 4.2Å; L180-F206 HydrophobicContact CD2-CE2 3.98Å; L180-F206 HydrophobicContact CD2-CG 3.89Å; L180-F206 HydrophobicContact CD2-CZ 4.17Å; L180-F206 HydrophobicContact CG-CD1 4.5Å; L180-F206 HydrophobicContact CG-CE1 4.49Å
181	V	94.1	Very high	84.6	Confident	12 Å²	12	43.5 Å²	43.5	7%	0.073	26%	0.262	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-107.7	145.6	176.5	-63.9	0	0	0	0	110.3	V97 C111 I112 P179 W188 T189 L190	V97-V181 HydrophobicContact CG1-CG1 4.07Å; C111-V181 CarbonylContact C-O 3.51Å; C111-V181 WeakPolarHBondContact CA-O 3.42Å; I112-V181 HydrophobicContact CB-CG2 4.12Å; I112-V181 PolarHBondContact N-O 3.47Å; I112-V181 WeakPolarHBondContact O-CG2 3.38Å; I112-V181 PolarHBondContact O-N 3.24Å; P179-V181 HydrophobicContact CB-CG1 4.4Å; V181-W188 HydrophobicContact CB-CE3 4.21Å; V181-W188 HydrophobicContact CG2-CE3 3.83Å; V181-W188 HydrophobicContact CG2-CZ3 4.27Å; V181-T189 CarbonylContact C-O 3.58Å; V181-T189 VanDerWaalsContact CA-O 3.25Å; V181-T189 WeakPolarHBondContact CA-O 3.42Å; V181-L190 HydrophobicContact CG1-CD1 4.35Å
182	C	94.7	Very high	86.4	Confident	0 Å²	0	36.4 Å²	36.4	0%	0	22%	0.224	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-132.8	136.9	176.7	-55.5	0	0	0	0	111.2	P105 K110 C111 T189 Y191	P105-C182 HydrophobicContact CB-CB 3.85Å; K110-C182 WeakPolarHBondContact O-CA 3.08Å; C111-C182 HydrophobicContact CB-CB 4.04Å; C111-C182 WeakPolarHBondContact CB-SG 3.16Å; C111-C182 WeakPolarHBondContact SG-CB 3.47Å; C111-C182 CovalentContact SG-SG 2.04Å; C111-C182 PolarHBondContact SG-SG 3.48Å; C182-T189 PolarHBondContact N-O 2.85Å; C182-T189 PolarHBondContact O-N 3.45Å; C182-Y191 HydrophobicContact CB-CD2 3.73Å; C182-Y191 HydrophobicContact CB-CE2 3.79Å
183	N	94	Very high	87.9	Confident	43 Å²	43	34.7 Å²	34.7	23%	0.23	21%	0.214	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-78.2	124.7	178.1	-166.9	-73.1	0	0	0	110.6	S109 K110 G186 L187 W188	S109-N183 WeakPolarHBondContact CB-O 3.13Å; S109-N183 PolarHBondContact OG-O 3.24Å; K110-N183 PolarHBondContact O-N 3.42Å; N183-G186 PolarHBondContact ND2-O 3.23Å; N183-G186 WeakPolarHBondContact OD1-CA 3.43Å; N183-G186 PolarHBondContact OD1-N 3.26Å; N183-L187 CarbonylContact C-O 3.46Å; N183-L187 VanDerWaalsContact CA-O 3.31Å; N183-L187 WeakPolarHBondContact CA-O 3.34Å; N183-W188 HydrophobicContact CB-CD2 4.03Å; N183-W188 HydrophobicContact CB-CE3 3.92Å; N183-W188 HydrophobicContact CB-CH2 3.89Å; N183-W188 HydrophobicContact CB-CZ2 4Å; N183-W188 HydrophobicContact CB-CZ3 3.86Å
184	H	85.4	Confident	89.3	Confident	80 Å²	80	29.3 Å²	29.3	37%	0.37	18%	0.178	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-135.1	126	169.3	176	66.3	0	0	0	110.6	R102 P106 G186 L187	R102-H184 PolarHBondContact NH2-CD2 3.38Å; R102-H184 PolarHBondContact NH2-CE1 3.43Å; R102-H184 VanDerWaalsContact NH2-CE1 3.26Å; R102-H184 PolarHBondContact NH2-ND1 3.2Å; R102-H184 PolarHBondContact NH2-NE2 2.6Å; P106-H184 HydrophobicContact CG-CB 4.36Å; P106-H184 VanDerWaalsContact CG-ND1 3.28Å; P106-H184 WeakPolarHBondContact CG-ND1 3.44Å; H184-G186 PolarHBondContact O-N 2.91Å; H184-L187 PolarHBondContact N-O 3Å; H184-L187 PolarHBondContact O-N 2.59Å
185	G	83.6	Confident	89.9	Confident	77 Å²	77	28.8 Å²	28.8	79%	0.794	18%	0.176	S	C	*	.	T	Hydrogen-bonded Turn	trans	60.8	26.9	179.6	0	0	0	0	0	113.4	L187	G185-L187 VanDerWaalsContact C-N 3.3Å; G185-L187 PolarHBondContact O-N 3.24Å
186	G	90.1	Very high	90.1	Very high	54 Å²	54	29.1 Å²	29.1	56%	0.557	18%	0.177	S	C	*	.	T	Hydrogen-bonded Turn	trans	89.1	-20.7	-173.3	0	0	0	0	0	114.4	N183 H184	N183-G186 PolarHBondContact ND2-O 3.23Å; N183-G186 WeakPolarHBondContact OD1-CA 3.43Å; N183-G186 PolarHBondContact OD1-N 3.26Å; H184-G186 PolarHBondContact O-N 2.91Å
187	L	92.2	Very high	90	Very high	107 Å²	107	31.8 Å²	31.8	56%	0.56	20%	0.2	S	C	*	.	E	Extended strand (participates in β ladder)	trans	-87.7	136.6	-177.6	-60.4	177	0	0	0	112	N183 H184 G185	N183-L187 CarbonylContact C-O 3.46Å; N183-L187 VanDerWaalsContact CA-O 3.31Å; N183-L187 WeakPolarHBondContact CA-O 3.34Å; H184-L187 PolarHBondContact N-O 3Å; H184-L187 PolarHBondContact O-N 2.59Å; G185-L187 VanDerWaalsContact C-N 3.3Å; G185-L187 PolarHBondContact O-N 3.24Å
188	W	94.9	Very high	89.9	Confident	98 Å²	98	35 Å²	35	37%	0.371	22%	0.217	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-86.7	115.7	172.6	-73	102.3	0	0	0	110.7	C98 I112 V181 N183	C98-W188 PolarHBondContact N-O 2.77Å; I112-W188 HydrophobicContact CB-CZ3 4.35Å; I112-W188 HydrophobicContact CD1-CH2 3.43Å; I112-W188 VanDerWaalsContact CD1-CH2 3.43Å; I112-W188 HydrophobicContact CD1-CZ2 3.94Å; I112-W188 HydrophobicContact CD1-CZ3 3.95Å; I112-W188 HydrophobicContact CG1-CH2 3.72Å; I112-W188 HydrophobicContact CG1-CZ3 3.89Å; V181-W188 HydrophobicContact CB-CE3 4.21Å; V181-W188 HydrophobicContact CG2-CE3 3.83Å; V181-W188 HydrophobicContact CG2-CZ3 4.27Å; N183-W188 HydrophobicContact CB-CD2 4.03Å; N183-W188 HydrophobicContact CB-CE3 3.92Å; N183-W188 HydrophobicContact CB-CH2 3.89Å; N183-W188 HydrophobicContact CB-CZ2 4Å; N183-W188 HydrophobicContact CB-CZ3 3.86Å
189	T	94.1	Very high	89.6	Confident	12 Å²	12	36.1 Å²	36.1	7%	0.074	22%	0.224	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-111.3	130.8	-175.2	-52.3	0	0	0	0	111	C98 P100 V181 C182 Y191	C98-T189 HydrophobicContact CB-CG2 4.48Å; C98-T189 CarbonylContact O-C 3.53Å; C98-T189 VanDerWaalsContact O-CA 3.3Å; C98-T189 WeakPolarHBondContact O-CA 3.46Å; P100-T189 HydrophobicContact CB-CG2 3.94Å; V181-T189 CarbonylContact C-O 3.58Å; V181-T189 VanDerWaalsContact CA-O 3.25Å; V181-T189 WeakPolarHBondContact CA-O 3.42Å; C182-T189 PolarHBondContact N-O 2.85Å; C182-T189 PolarHBondContact O-N 3.45Å; T189-Y191 HydrophobicContact CG2-CD2 4.24Å; T189-Y191 HydrophobicContact CG2-CE2 3.7Å; T189-Y191 WeakPolarHBondContact O-CD2 3.22Å
190	L	93.4	Very high	88.9	Confident	0 Å²	0	37.6 Å²	37.6	0%	0	24%	0.24	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-69.5	126.7	171.2	-178.9	64.6	0	0	0	110.4	V15 V29 V97 C98 L99 P100 P179 V181 G192 F209	V15-L190 HydrophobicContact CG1-CD1 4.25Å; V15-L190 HydrophobicContact CG1-CD2 3.93Å; V29-L190 HydrophobicContact CB-CD2 4.45Å; V29-L190 HydrophobicContact CG1-CD2 4.11Å; V97-L190 HydrophobicContact CG2-CB 3.86Å; C98-L190 PolarHBondContact O-N 2.87Å; L99-L190 HydrophobicContact CD2-CD2 4.36Å; P100-L190 WeakPolarHBondContact CB-O 3.3Å; P100-L190 VanDerWaalsContact CD-O 3.24Å; P100-L190 WeakPolarHBondContact CD-O 3.4Å; P100-L190 VanDerWaalsContact CG-O 3.3Å; P100-L190 WeakPolarHBondContact CG-O 2.81Å; P179-L190 HydrophobicContact CB-CD1 3.64Å; V181-L190 HydrophobicContact CG1-CD1 4.35Å; L190-G192 WeakPolarHBondContact CD1-O 3.47Å; L190-F209 HydrophobicContact CD2-CD1 3.7Å; L190-F209 HydrophobicContact CD2-CE1 3.72Å; L190-F209 HydrophobicContact CD2-CG 4.11Å; L190-F209 HydrophobicContact CD2-CZ 4.14Å; L190-F209 HydrophobicContact CG-CD1 4.31Å; L190-F209 HydrophobicContact CG-CG 4.24Å
191	Y	91.2	Very high	88.1	Confident	1 Å²	1	42.7 Å²	42.7	0%	0.004	28%	0.275	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-115.7	-26	172.8	-76.7	-85.2	0	0	0	113.1	P100 R102 P105 L161 L180 C182 T189 F209	P100-Y191 HydrophobicContact CB-CD1 3.94Å; P100-Y191 HydrophobicContact CB-CE1 3.83Å; R102-Y191 WeakPolarHBondContact O-CE1 3.42Å; P105-Y191 HydrophobicContact CB-CD2 4.15Å; P105-Y191 HydrophobicContact CB-CE1 4.31Å; P105-Y191 HydrophobicContact CB-CE2 3.84Å; P105-Y191 VanDerWaalsContact N-CE1 3.31Å; L161-Y191 VanDerWaalsContact CD1-O 3.28Å; L161-Y191 WeakPolarHBondContact CD1-O 3.39Å; L180-Y191 PolarHBondContact O-N 3.15Å; C182-Y191 HydrophobicContact CB-CD2 3.73Å; C182-Y191 HydrophobicContact CB-CE2 3.79Å; T189-Y191 HydrophobicContact CG2-CD2 4.24Å; T189-Y191 HydrophobicContact CG2-CE2 3.7Å; T189-Y191 WeakPolarHBondContact O-CD2 3.22Å; Y191-F209 PolarHBondContact O-N 2.73Å
192	G	90	Very high	87.2	Confident	0 Å²	0	49.6 Å²	49.6	0%	0	30%	0.304	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-158.4	163.8	-178.4	0	0	0	0	0	115.7	P179 L180 L190 T207	P179-G192 WeakPolarHBondContact CA-O 3.49Å; L180-G192 PolarHBondContact N-O 3.41Å; L180-G192 PolarHBondContact O-N 2.89Å; L190-G192 WeakPolarHBondContact CD1-O 3.47Å; G192-T207 WeakPolarHBondContact CA-O 3.42Å
193	T	89.4	Confident	86.7	Confident	1 Å²	1	52 Å²	52	1%	0.006	32%	0.317	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-112.7	135.4	162.8	46.9	0	0	0	0	109.2	V29 D78 F206 T207 F209	V29-T193 HydrophobicContact CG1-CG2 4.24Å; D78-T193 PolarHBondContact O-OG1 2.99Å; T193-F206 CarbonylContact O-C 3.55Å; T193-F206 WeakPolarHBondContact O-CA 3.49Å; T193-F206 WeakPolarHBondContact O-CB 3.47Å; T193-T207 PolarHBondContact O-N 2.65Å; T193-T207 PolarHBondContact OG1-OG1 3.07Å; T193-F209 HydrophobicContact CG2-CE2 3.67Å; T193-F209 HydrophobicContact CG2-CZ 3.85Å
194	Y	89.1	Confident	86.3	Confident	26 Å²	26	50.2 Å²	50.2	10%	0.102	31%	0.309	C	S	.	.	B	Isolated β-bridge	trans	-69.7	133	-176.6	-179	-127	0	0	0	112.2	H174 G177 S178 P196 S199 F206	H174-Y194 HydrophobicContact CB-CD1 4Å; H174-Y194 HydrophobicContact CB-CE1 4.15Å; H174-Y194 WeakPolarHBondContact O-CE1 3.36Å; G177-Y194 PolarHBondContact N-O 2.98Å; S178-Y194 WeakPolarHBondContact O-CB 3.35Å; S178-Y194 PolarHBondContact O-N 2.93Å; Y194-P196 HydrophobicContact CD1-CG 3.86Å; Y194-P196 HydrophobicContact CE1-CB 4.12Å; Y194-P196 HydrophobicContact CE1-CG 3.68Å; Y194-P196 WeakPolarHBondContact O-CD 3.27Å; Y194-S199 WeakPolarHBondContact CE2-OG 3.43Å; Y194-F206 VanDerWaalsContact CA-CD1 3.49Å; Y194-F206 HydrophobicContact CD2-CD1 4.07Å; Y194-F206 AromaticContact CD2-CE1 3.68Å; Y194-F206 HydrophobicContact CD2-CE1 3.68Å; Y194-F206 HydrophobicContact CD2-CZ 4.12Å; Y194-F206 HydrophobicContact CG-CD1 4.43Å; Y194-F206 HydrophobicContact CG-CE1 4.15Å
195	I	86.3	Confident	86.4	Confident	6 Å²	6	46.5 Å²	46.5	3%	0.031	29%	0.291	C	S	.	.			trans	-116.8	91.7	180	-48.6	175.1	0	0	0	108.6	S197 L198 S199 V205	I195-S197 VanDerWaalsContact C-N 3.29Å; I195-S197 WeakPolarHBondContact CG2-OG 3.29Å; I195-S197 PolarHBondContact O-N 3.39Å; I195-L198 HydrophobicContact CB-CB 4.48Å; I195-L198 HydrophobicContact CD1-CD1 4.19Å; I195-L198 HydrophobicContact CG2-CB 4.11Å; I195-L198 HydrophobicContact CG2-CD1 3.9Å; I195-L198 HydrophobicContact CG2-CG 3.78Å; I195-L198 PolarHBondContact O-N 2.93Å; I195-S199 PolarHBondContact O-N 2.82Å; I195-S199 PolarHBondContact O-OG 3.39Å; I195-V205 PolarHBondContact N-O 2.92Å
196	P	83.8	Confident	86.7	Confident	48 Å²	48	42.8 Å²	42.8	31%	0.312	25%	0.253	S	S	.	.	G	3₁₀ helix	trans	-60.4	-36.6	-176.9	-22	31	0	0	0	113.2	I176 Y194 L198 S199	I176-P196 HydrophobicContact CB-CG 3.91Å; I176-P196 HydrophobicContact CG1-CG 4.41Å; Y194-P196 HydrophobicContact CD1-CG 3.86Å; Y194-P196 HydrophobicContact CE1-CB 4.12Å; Y194-P196 HydrophobicContact CE1-CG 3.68Å; Y194-P196 WeakPolarHBondContact O-CD 3.27Å; P196-L198 PolarHBondContact O-N 3.38Å; P196-S199 PolarHBondContact O-N 3.34Å
197	S	81.8	Confident	86.6	Confident	101 Å²	101	41 Å²	41	71%	0.706	23%	0.232	S	C	*	.	G	3₁₀ helix	trans	-66.5	-14.3	-178.3	51.5	0	0	0	0	114.7	I195	I195-S197 VanDerWaalsContact C-N 3.29Å; I195-S197 WeakPolarHBondContact CG2-OG 3.29Å; I195-S197 PolarHBondContact O-N 3.39Å
198	L	83.3	Confident	86.3	Confident	69 Å²	69	36.2 Å²	36.2	36%	0.361	21%	0.207	S	C	.	.	G	3₁₀ helix	trans	-109.9	-1	174.6	-59.7	-178.3	0	0	0	112.7	R160 I195 P196 V205	R160-L198 VanDerWaalsContact CZ-CD1 3.45Å; R160-L198 VanDerWaalsContact NE-CD1 3.33Å; I195-L198 HydrophobicContact CB-CB 4.48Å; I195-L198 HydrophobicContact CD1-CD1 4.19Å; I195-L198 HydrophobicContact CG2-CB 4.11Å; I195-L198 HydrophobicContact CG2-CD1 3.9Å; I195-L198 HydrophobicContact CG2-CG 3.78Å; I195-L198 PolarHBondContact O-N 2.93Å; P196-L198 PolarHBondContact O-N 3.38Å; L198-V205 HydrophobicContact CB-CB 4.02Å; L198-V205 HydrophobicContact CB-CG1 3.85Å; L198-V205 HydrophobicContact CB-CG2 4.43Å; L198-V205 HydrophobicContact CD1-CG1 4.33Å; L198-V205 WeakPolarHBondContact O-CG2 3.28Å
199	S	84.4	Confident	85.8	Confident	22 Å²	22	32.1 Å²	32.1	15%	0.154	19%	0.192	C	C	.	.			trans	-99	123.3	-173.2	-62.8	0	0	0	0	111.4	Y194 I195 P196 V205	Y194-S199 WeakPolarHBondContact CE2-OG 3.43Å; I195-S199 PolarHBondContact O-N 2.82Å; I195-S199 PolarHBondContact O-OG 3.39Å; P196-S199 PolarHBondContact O-N 3.34Å; S199-V205 PolarHBondContact OG-N 2.93Å
200	G	79.4	Confident	85	Confident	32 Å²	32	34.3 Å²	34.3	33%	0.33	20%	0.2	S	C	.	.			trans	-84.1	-162.8	177.8	0	0	0	0	0	114.2	K169 D203	K169-G200 PolarHBondContact NZ-O 3.32Å; G200-D203 WeakPolarHBondContact CA-OD1 3.34Å; G200-D203 PolarHBondContact N-O 3.42Å; G200-D203 VanDerWaalsContact N-O 3.12Å; G200-D203 PolarHBondContact N-OD1 2.57Å; G200-D203 VanDerWaalsContact N-OD1 3.09Å
201	S	74	Confident	83.6	Confident	107 Å²	107	36.5 Å²	36.5	75%	0.748	21%	0.212	S	C	*	.	S	Bend	trans	-82.9	-11.4	176.4	55.3	0	0	0	0	114
202	K	77.1	Confident	81.7	Confident	157 Å²	157	37.1 Å²	37.1	68%	0.683	22%	0.218	S	C	*	.	S	Bend	trans	-135.4	10.5	-177.1	-61.3	179.6	-177.2	174.1	0	113.1	D165	D165-K202 CarbonylContact O-C 3.43Å; D165-K202 VanDerWaalsContact O-O 3.13Å
203	D	82.3	Confident	79.4	Confident	50 Å²	50	39.7 Å²	39.7	27%	0.267	24%	0.24	S	C	.	.			trans	-149.1	144	176.1	62.1	-31.3	0	0	0	110.8	H162 L163 K169 G200	H162-D203 IonicContact ND1-OD2 2.75Å; L163-D203 VanDerWaalsContact O-CA 3.28Å; L163-D203 WeakPolarHBondContact O-CA 3.41Å; K169-D203 PolarHBondContact NZ-O 3.02Å; G200-D203 WeakPolarHBondContact CA-OD1 3.34Å; G200-D203 PolarHBondContact N-O 3.42Å; G200-D203 VanDerWaalsContact N-O 3.12Å; G200-D203 PolarHBondContact N-OD1 2.57Å; G200-D203 VanDerWaalsContact N-OD1 3.09Å
204	S	86.6	Confident	77.2	Confident	7 Å²	7	42 Å²	42	5%	0.049	26%	0.256	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-118.4	130.4	172.8	-67.4	0	0	0	0	108.3	L163 K169 F206	L163-S204 PolarHBondContact N-O 3.33Å; L163-S204 PolarHBondContact O-N 3.27Å; K169-S204 PolarHBondContact NZ-OG 3.18Å; S204-F206 VanDerWaalsContact O-CE2 3.3Å; S204-F206 WeakPolarHBondContact O-CE2 3.46Å
205	V	87.9	Confident	75	Confident	1 Å²	1	42.2 Å²	42.2	1%	0.006	26%	0.26	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-113	136.4	-171.6	179.8	0	0	0	0	110.2	R160 L161 H162 I195 L198 S199	R160-V205 HydrophobicContact CB-CG1 4.22Å; R160-V205 HydrophobicContact CG-CG1 4.41Å; L161-V205 WeakPolarHBondContact O-CA 3.24Å; H162-V205 VanDerWaalsContact CE1-CG2 3.48Å; H162-V205 WeakPolarHBondContact CE1-CG2 3.11Å; H162-V205 WeakPolarHBondContact ND1-CG2 3.42Å; I195-V205 PolarHBondContact N-O 2.92Å; L198-V205 HydrophobicContact CB-CB 4.02Å; L198-V205 HydrophobicContact CB-CG1 3.85Å; L198-V205 HydrophobicContact CB-CG2 4.43Å; L198-V205 HydrophobicContact CD1-CG1 4.33Å; L198-V205 WeakPolarHBondContact O-CG2 3.28Å; S199-V205 PolarHBondContact OG-N 2.93Å
206	F	89	Confident	72.6	Confident	0 Å²	0	43.7 Å²	43.7	0%	0	27%	0.273	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-135.4	154.3	-178.8	-42.1	-102.4	0	0	0	110.7	L113 R160 L161 L163 L180 T193 Y194 S204	L113-F206 HydrophobicContact CD1-CE1 3.82Å; L113-F206 HydrophobicContact CD2-CE1 3.88Å; L113-F206 HydrophobicContact CD2-CZ 4.1Å; L113-F206 HydrophobicContact CG-CE1 4.36Å; R160-F206 CarbonylContact C-O 3.51Å; R160-F206 VanDerWaalsContact CA-O 3.3Å; R160-F206 WeakPolarHBondContact CA-O 3.36Å; R160-F206 WeakPolarHBondContact CB-O 3.33Å; L161-F206 HydrophobicContact CB-CB 4.2Å; L161-F206 HydrophobicContact CB-CD2 4.24Å; L161-F206 PolarHBondContact N-O 3.4Å; L161-F206 PolarHBondContact O-N 2.87Å; L163-F206 HydrophobicContact CB-CE2 3.82Å; L180-F206 HydrophobicContact CB-CD1 3.79Å; L180-F206 HydrophobicContact CB-CE1 3.96Å; L180-F206 HydrophobicContact CB-CG 4.37Å; L180-F206 HydrophobicContact CD2-CD1 4.05Å; L180-F206 HydrophobicContact CD2-CD2 3.82Å; L180-F206 HydrophobicContact CD2-CE1 4.2Å; L180-F206 HydrophobicContact CD2-CE2 3.98Å; L180-F206 HydrophobicContact CD2-CG 3.89Å; L180-F206 HydrophobicContact CD2-CZ 4.17Å; L180-F206 HydrophobicContact CG-CD1 4.5Å; L180-F206 HydrophobicContact CG-CE1 4.49Å; T193-F206 CarbonylContact O-C 3.55Å; T193-F206 WeakPolarHBondContact O-CA 3.49Å; T193-F206 WeakPolarHBondContact O-CB 3.47Å; Y194-F206 VanDerWaalsContact CA-CD1 3.49Å; Y194-F206 HydrophobicContact CD2-CD1 4.07Å; Y194-F206 AromaticContact CD2-CE1 3.68Å; Y194-F206 HydrophobicContact CD2-CE1 3.68Å; Y194-F206 HydrophobicContact CD2-CZ 4.12Å; Y194-F206 HydrophobicContact CG-CD1 4.43Å; Y194-F206 HydrophobicContact CG-CE1 4.15Å; S204-F206 VanDerWaalsContact O-CE2 3.3Å; S204-F206 WeakPolarHBondContact O-CE2 3.46Å
207	T	87.9	Confident	70.2	Confident	17 Å²	17	44.3 Å²	44.3	10%	0.104	28%	0.282	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-57.6	146.4	163.7	-44.4	0	0	0	0	110.3	V79 G192 T193 F209	V79-T207 HydrophobicContact CG2-CG2 3.84Å; G192-T207 WeakPolarHBondContact CA-O 3.42Å; T193-T207 PolarHBondContact O-N 2.65Å; T193-T207 PolarHBondContact OG1-OG1 3.07Å; T207-F209 HydrophobicContact CG2-CD2 4.43Å; T207-F209 HydrophobicContact CG2-CE2 4.34Å
208	D	86.4	Confident	67.8	Low	6 Å²	6	45 Å²	45	3%	0.032	28%	0.277	C	S	.	.			trans	-92.6	104.3	168.9	-177.9	-15.9	0	0	0	109.3	R159 L161 F210 D211	R159-D208 HydrophobicContact CB-CB 3.83Å; R159-D208 IonicContact CZ-OD2 2.74Å; R159-D208 IonicContact NE-OD2 3.55Å; R159-D208 PolarHBondContact NE-OD2 3.35Å; R159-D208 IonicContact NH2-OD2 2.63Å; R159-D208 WeakPolarHBondContact O-CB 3.46Å; R159-D208 PolarHBondContact O-N 2.87Å; L161-D208 HydrophobicContact CD2-CB 4.46Å; L161-D208 HydrophobicContact CG-CB 4.37Å; D208-F210 VanDerWaalsContact C-N 3.27Å; D208-F210 PolarHBondContact O-N 3.42Å; D208-F210 WeakPolarHBondContact OD1-CB 3.48Å; D208-F210 PolarHBondContact OD1-N 3.46Å; D208-F210 VanDerWaalsContact OD1-N 3.09Å; D208-D211 PolarHBondContact OD1-N 2.7Å
209	F	83.5	Confident	65.5	Low	12 Å²	12	44.5 Å²	44.5	5%	0.053	28%	0.278	C	S	.	.	S	Bend	trans	-71.1	-17.5	-176.9	-94.9	-106.4	0	0	0	114.3	V29 V79 P100 L190 Y191 T193 T207 G212 F287	V29-F209 HydrophobicContact CG1-CE1 3.57Å; V29-F209 HydrophobicContact CG1-CZ 3.4Å; V29-F209 VanDerWaalsContact CG1-CZ 3.4Å; V29-F209 HydrophobicContact CG2-CE1 4.23Å; V79-F209 HydrophobicContact CB-CZ 4.2Å; V79-F209 HydrophobicContact CG1-CE1 3.99Å; V79-F209 HydrophobicContact CG1-CZ 3.58Å; V79-F209 HydrophobicContact CG2-CE1 4.45Å; V79-F209 HydrophobicContact CG2-CE2 3.61Å; V79-F209 HydrophobicContact CG2-CZ 3.46Å; V79-F209 VanDerWaalsContact CG2-CZ 3.46Å; P100-F209 HydrophobicContact CG-CB 3.95Å; L190-F209 HydrophobicContact CD2-CD1 3.7Å; L190-F209 HydrophobicContact CD2-CE1 3.72Å; L190-F209 HydrophobicContact CD2-CG 4.11Å; L190-F209 HydrophobicContact CD2-CZ 4.14Å; L190-F209 HydrophobicContact CG-CD1 4.31Å; L190-F209 HydrophobicContact CG-CG 4.24Å; Y191-F209 PolarHBondContact O-N 2.73Å; T193-F209 HydrophobicContact CG2-CE2 3.67Å; T193-F209 HydrophobicContact CG2-CZ 3.85Å; T207-F209 HydrophobicContact CG2-CD2 4.43Å; T207-F209 HydrophobicContact CG2-CE2 4.34Å; F209-G212 WeakPolarHBondContact O-CA 3.23Å; F209-G212 PolarHBondContact O-N 2.74Å; F209-F287 VanDerWaalsContact O-CZ 3.27Å; F209-F287 WeakPolarHBondContact O-CZ 3.31Å
210	F	77.5	Confident	63.3	Low	57 Å²	57	48.1 Å²	48.1	25%	0.25	29%	0.292	C	S	.	.	S	Bend	trans	-74.7	-40.7	177.4	177.1	-91.7	0	0	0	111.7	P100 R102 S103 D208 G212 A213	P100-F210 HydrophobicContact CB-CB 4.47Å; P100-F210 HydrophobicContact CG-CB 4.24Å; P100-F210 WeakPolarHBondContact O-CD2 3.49Å; R102-F210 VanDerWaalsContact C-CG 3.43Å; R102-F210 VanDerWaalsContact N-CD2 3.34Å; S103-F210 VanDerWaalsContact CA-CG 3.47Å; D208-F210 VanDerWaalsContact C-N 3.27Å; D208-F210 PolarHBondContact O-N 3.42Å; D208-F210 WeakPolarHBondContact OD1-CB 3.48Å; D208-F210 PolarHBondContact OD1-N 3.46Å; D208-F210 VanDerWaalsContact OD1-N 3.09Å; F210-G212 PolarHBondContact O-N 3.48Å; F210-G212 VanDerWaalsContact O-N 3.13Å; F210-A213 PolarHBondContact O-N 2.9Å; F210-A213 VanDerWaalsContact O-N 3.16Å
211	D	64.6	Low	61.1	Low	46 Å²	46	52.5 Å²	52.5	25%	0.246	32%	0.315	C	S	.	.	T	Hydrogen-bonded Turn	trans	-69.9	-2.2	169.7	-122.8	68.9	0	0	0	112.5	R159 D208 A213 S214	R159-D211 HydrophobicContact CB-CB 4.21Å; R159-D211 VanDerWaalsContact CD-OD1 3.31Å; R159-D211 WeakPolarHBondContact CD-OD1 3.39Å; R159-D211 WeakPolarHBondContact CD-OD2 3.3Å; R159-D211 IonicContact CZ-OD1 2.69Å; R159-D211 IonicContact NE-OD1 3.4Å; R159-D211 IonicContact NH1-OD1 3.12Å; R159-D211 PolarHBondContact NH1-OD1 3.06Å; D208-D211 PolarHBondContact OD1-N 2.7Å; D211-A213 PolarHBondContact O-N 3.3Å; D211-S214 VanDerWaalsContact O-CB 3.24Å; D211-S214 WeakPolarHBondContact O-CB 3.34Å; D211-S214 PolarHBondContact O-N 3.02Å; D211-S214 PolarHBondContact O-OG 3.38Å
212	G	52.3	Low	59.1	Low	14 Å²	14	56 Å²	56	14%	0.144	32%	0.32	C	S	.	.	T	Hydrogen-bonded Turn	trans	-54.6	-7.1	158.3	0	0	0	0	0	115.2	F209 F210 S214 V215 A216	F209-G212 WeakPolarHBondContact O-CA 3.23Å; F209-G212 PolarHBondContact O-N 2.74Å; F210-G212 PolarHBondContact O-N 3.48Å; F210-G212 VanDerWaalsContact O-N 3.13Å; G212-S214 PolarHBondContact O-N 2.96Å; G212-V215 WeakPolarHBondContact O-CA 3.47Å; G212-V215 VanDerWaalsContact O-CB 3.24Å; G212-V215 WeakPolarHBondContact O-CB 3.46Å; G212-V215 PolarHBondContact O-N 2.93Å; G212-A216 PolarHBondContact O-N 2.89Å
213	A	41.1	Very low	57	Low	54 Å²	54	54.4 Å²	54.4	45%	0.446	33%	0.325	S	S	.	.	H	α-helix	trans	-56.6	-30.4	158.9	0	0	0	0	0	112.5	F210 D211 V215	F210-A213 PolarHBondContact O-N 2.9Å; F210-A213 VanDerWaalsContact O-N 3.16Å; D211-A213 PolarHBondContact O-N 3.3Å; A213-V215 VanDerWaalsContact C-N 3.26Å; A213-V215 PolarHBondContact O-N 3.48Å
214	S	43.4	Very low	54.7	Low	51 Å²	51	58.1 Å²	58.1	36%	0.357	35%	0.35	S	S	.	.	H	α-helix	trans	-76	-10.4	170.7	-55.8	0	0	0	0	113.8	N73 D211 G212	N73-S214 PolarHBondContact ND2-O 3.41Å; D211-S214 VanDerWaalsContact O-CB 3.24Å; D211-S214 WeakPolarHBondContact O-CB 3.34Å; D211-S214 PolarHBondContact O-N 3.02Å; D211-S214 PolarHBondContact O-OG 3.38Å; G212-S214 PolarHBondContact O-N 2.96Å
215	V	43.3	Very low	52	Low	30 Å²	30	62.9 Å²	62.9	18%	0.182	38%	0.383	C	S	.	.	H	α-helix	trans	-94.8	-27.1	-178	164	0	0	0	0	111.6	V71 F81 G212 A213 A217	V71-V215 HydrophobicContact CB-CG1 3.99Å; V71-V215 HydrophobicContact CG1-CB 3.9Å; V71-V215 HydrophobicContact CG1-CG1 3.39Å; V71-V215 HydrophobicContact CG1-CG2 3.37Å; V71-V215 HydrophobicContact CG2-CG1 3.35Å; F81-V215 HydrophobicContact CE2-CG1 3.88Å; G212-V215 WeakPolarHBondContact O-CA 3.47Å; G212-V215 VanDerWaalsContact O-CB 3.24Å; G212-V215 WeakPolarHBondContact O-CB 3.46Å; G212-V215 PolarHBondContact O-N 2.93Å; A213-V215 VanDerWaalsContact C-N 3.26Å; A213-V215 PolarHBondContact O-N 3.48Å; V215-A217 VanDerWaalsContact C-N 3.28Å
216	A	36	Very low	49.5	Very low	36 Å²	36	67.6 Å²	67.6	30%	0.298	41%	0.414	S	S	.	.	H	α-helix	trans	-70.4	-24.9	161.1	0	0	0	0	0	112.5	G212 L218 I292	G212-A216 PolarHBondContact O-N 2.89Å; A216-L218 VanDerWaalsContact C-N 3.31Å; A216-L218 PolarHBondContact O-N 3.28Å; A216-I292 HydrophobicContact CB-CD1 4.09Å; A216-I292 HydrophobicContact CB-CG1 3.84Å
217	A	31.5	Very low	46.9	Very low	61 Å²	61	76.9 Å²	76.9	50%	0.504	45%	0.454	S	S	.	.	S	Bend	trans	-80.1	73.6	178.3	0	0	0	0	0	111.8	V215 P219	V215-A217 VanDerWaalsContact C-N 3.28Å; A217-P219 WeakPolarHBondContact O-CD 3Å
218	L	33	Very low	44.5	Very low	117 Å²	117	85.5 Å²	85.5	61%	0.613	49%	0.49	S	S	*	.			trans	-43.6	117	-176.8	-77.8	171.7	0	0	0	113.6	L69 A216	L69-L218 HydrophobicContact CD1-CD2 4.35Å; A216-L218 VanDerWaalsContact C-N 3.31Å; A216-L218 PolarHBondContact O-N 3.28Å
219	P	33.7	Very low	42.1	Very low	58 Å²	58	92 Å²	92	38%	0.377	53%	0.525	S	S	.	.	P	Polyproline II helix	trans	-80	127	169.2	33.2	-33.3	0	0	0	109.8	N73 A217	N73-P219 HydrophobicContact CB-CG 3.88Å; A217-P219 WeakPolarHBondContact O-CD 3Å
220	H	38.2	Very low	39.7	Very low	98 Å²	98	96.4 Å²	96.4	45%	0.454	56%	0.557	S	S	.	*	P	Polyproline II helix	trans	-85	146	160.9	-74.8	-25.9	0	0	0	110.2	Q222 K266	H220-Q222 PolarHBondContact O-N 3.5Å; H220-K266 WeakPolarHBondContact CD2-CE 3.44Å; H220-K266 PolarHBondContact CD2-NZ 3.34Å; H220-K266 WeakPolarHBondContact NE2-CE 3.45Å; H220-K266 PolarHBondContact NE2-NZ 3.32Å
221	P	33.5	Very low	37.7	Very low	123 Å²	123	99.8 Å²	99.8	80%	0.799	58%	0.582	S	S	*	*	P	Polyproline II helix	trans	-64.1	129.9	-178.2	26.1	-34.4	0	0	0	111.3
222	Q	32.5	Very low	36.2	Very low	182 Å²	182	106.5 Å²	106.5	85%	0.85	61%	0.609	S	S	*	*	P	Polyproline II helix	trans	-102	135.3	-176	-67.6	-158.2	-45.7	0	0	114.1	H220	H220-Q222 PolarHBondContact O-N 3.5Å
223	P	33	Very low	35.4	Very low	123 Å²	123	113 Å²	113	80%	0.799	64%	0.64	S	S	*	*	P	Polyproline II helix	trans	-86.3	160.3	146.7	-13.6	31.6	0	0	0	112.4
224	T	33.9	Very low	35	Very low	127 Å²	127	115.1 Å²	115.1	78%	0.779	65%	0.648	S	S	*	*			trans	-100.3	113.3	-153.5	50.9	0	0	0	0	118.4
225	S	30.6	Very low	34.4	Very low	108 Å²	108	120.5 Å²	120.5	76%	0.755	67%	0.668	S	S	*	*			trans	58.5	180	136.3	85.6	0	0	0	0	120.6
226	P	34.4	Very low	33.9	Very low	99 Å²	99	125.9 Å²	125.9	64%	0.643	70%	0.7	S	S	*	*			cis	-139	146.8	-11	35	-14.1	0	0	0	119.1
227	K	34	Very low	33.6	Very low	196 Å²	196	129.5 Å²	129.5	85%	0.852	72%	0.719	S	S	*	*			trans	60.7	126.1	137.1	-61.9	172.2	-179.6	174.1	0	124.8
228	K	39	Very low	33.6	Very low	198 Å²	198	133.8 Å²	133.8	86%	0.861	73%	0.731	S	S	*	*				157.6	152.8	126.1	-91.3	176.2	179.5	179	0	111.9
229	N	34.7	Very low	33.7	Very low	143 Å²	143	133.6 Å²	133.6	77%	0.765	74%	0.737	S	S	*	*			cis	-169.4	142.8	-28	-119.8	27.1	0	0	0	112.8
230	S	34.3	Very low	33.9	Very low	103 Å²	103	135.6 Å²	135.6	72%	0.72	75%	0.751	S	S	*	*			trans	69.7	158.9	152.1	-144.3	0	0	0	0	119
231	T	35	Very low	33.7	Very low	128 Å²	128	138.3 Å²	138.3	79%	0.785	77%	0.767	S	S	*	*			cis	-146.7	176.3	15	-41.7	0	0	0	0	114.2
232	K	33	Very low	33.7	Very low	187 Å²	187	137.5 Å²	137.5	81%	0.813	76%	0.761	S	S	*	*			trans	-72.1	-171.7	-172.5	-56	179.4	175.9	178	0	114.9
233	I	34.6	Very low	33.7	Very low	152 Å²	152	137.3 Å²	137.3	78%	0.779	76%	0.761	S	S	*	*			cis	-156.8	-177.9	39.3	-2.3	177	0	0	0	113
234	P	34.5	Very low	33.7	Very low	97 Å²	97	139.3 Å²	139.3	63%	0.63	76%	0.763	S	S	*	*				-141.1	-172.6	-121.5	48.2	-27.5	0	0	0	119.9
235	H	30.3	Very low	33.6	Very low	165 Å²	165	138.6 Å²	138.6	76%	0.764	76%	0.76	S	S	*	*			trans	51.4	120	148.5	-72.5	-62.6	0	0	0	123.8
236	V	31.6	Very low	33.7	Very low	142 Å²	142	141.9 Å²	141.9	86%	0.861	77%	0.769	S	S	*	*			trans	-145.6	159.2	132.9	-171.9	0	0	0	0	108.9
237	T	30.1	Very low	33.5	Very low	113 Å²	113	145.2 Å²	145.2	69%	0.693	78%	0.776	S	S	*	*			trans	-160.2	167	-177	32.5	0	0	0	0	108.9
238	I	32.4	Very low	33.6	Very low	150 Å²	150	142 Å²	142	77%	0.769	78%	0.775	S	S	*	*			cis	-164	178.6	12.7	16.5	168.6	0	0	0	107.7
239	P	35	Very low	33.3	Very low	113 Å²	113	136.2 Å²	136.2	73%	0.734	76%	0.764	S	S	*	*			cis	-126.3	-108.8	-19.4	30.9	-4.6	0	0	0	113.6
240	P	37.2	Very low	33.3	Very low	101 Å²	101	136.1 Å²	136.1	66%	0.656	76%	0.763	S	S	*	*			trans	-145.4	168.3	-145.9	45.1	-21	0	0	0	121.7
241	I	35.1	Very low	33.4	Very low	154 Å²	154	141.3 Å²	141.3	79%	0.79	77%	0.768	S	S	*	*			trans	57.7	128.5	134.8	-69.5	170.4	0	0	0	120
242	P	33.1	Very low	34	Very low	106 Å²	106	140.4 Å²	140.4	69%	0.688	75%	0.751	S	S	*	*				-148.3	146.2	58.7	35.1	-13.1	0	0	0	122.2
243	Q	32.9	Very low	35.2	Very low	179 Å²	179	136.4 Å²	136.4	84%	0.836	74%	0.739	S	S	*	*			trans	77.5	162.2	140.7	-71.2	-175.8	7.9	0	0	123.3
244	I	31.1	Very low	37	Very low	164 Å²	164	130.2 Å²	130.2	84%	0.841	71%	0.712	S	S	*	*			trans	75.1	147	178.4	-32.3	164.3	0	0	0	114.2
245	P	32.3	Very low	38.9	Very low	113 Å²	113	126.5 Å²	126.5	73%	0.734	69%	0.689	S	S	*	*				-100.3	164.2	-81.5	34.5	-15.6	0	0	0	113.5
246	L	32.1	Very low	41.3	Very low	177 Å²	177	122.7 Å²	122.7	93%	0.927	67%	0.67	S	S	*	*			trans	-100	105.3	176.4	-80.7	170.6	0	0	0	112.8
247	E	32.1	Very low	43.3	Very low	169 Å²	169	119.3 Å²	119.3	79%	0.79	65%	0.647	S	S	*	*			trans	-86.3	133.2	152.6	-67.4	-172.1	157.7	0	0	110.1
248	P	35.2	Very low	45.6	Very low	128 Å²	128	117 Å²	117	83%	0.831	63%	0.633	S	S	*	*			trans	-109.2	40.6	164.6	37.9	-30.4	0	0	0	111.9	N250	P248-N250 VanDerWaalsContact C-N 3.27Å; P248-N250 PolarHBondContact O-N 2.88Å
249	A	31.9	Very low	47.8	Very low	76 Å²	76	110.3 Å²	110.3	63%	0.628	60%	0.6	S	S	*	*			trans	-84.6	51.3	-176.6	0	0	0	0	0	113.6
250	N	34.2	Very low	50	Low	141 Å²	141	108.7 Å²	108.7	75%	0.754	58%	0.582	S	S	*	*	S	Bend	trans	-151.2	131.4	173.1	-96.1	-65.9	0	0	0	112.2	P248	P248-N250 VanDerWaalsContact C-N 3.27Å; P248-N250 PolarHBondContact O-N 2.88Å
251	Y	38	Very low	51.8	Low	212 Å²	212	107.5 Å²	107.5	83%	0.831	57%	0.57	S	S	*	*			trans	59	58.9	175.3	-76.5	-85.1	0	0	0	117.7
252	Y	46.9	Very low	53.8	Low	110 Å²	110	102.9 Å²	102.9	43%	0.431	56%	0.556	S	S	.	*			trans	-113.4	101.6	147.7	-170.3	-117.3	0	0	0	110.3	G254 S255 V258 D283 I291	Y252-G254 PolarHBondContact O-N 2.84Å; Y252-S255 PolarHBondContact OH-N 3.11Å; Y252-V258 HydrophobicContact CD2-CG2 4.3Å; Y252-V258 HydrophobicContact CE2-CG2 3.92Å; Y252-D283 PolarHBondContact OH-OD1 3.46Å; Y252-D283 PolarHBondContact OH-OD2 3.08Å; Y252-I291 HydrophobicContact CD2-CD1 4.33Å; Y252-I291 HydrophobicContact CE1-CD1 4.25Å; Y252-I291 HydrophobicContact CE2-CD1 3.7Å
253	N	58.6	Low	55.9	Low	102 Å²	102	99.4 Å²	99.4	55%	0.545	53%	0.531	S	S	.	.			trans	-80.2	6.6	177.4	-73.8	23.1	0	0	0	113.4	D257	N253-D257 HydrophobicContact CB-CB 3.52Å; N253-D257 VanDerWaalsContact CB-OD2 3.22Å; N253-D257 WeakPolarHBondContact CB-OD2 3.38Å; N253-D257 PolarHBondContact ND2-OD2 2.86Å
254	G	72.9	Confident	57.7	Low	22 Å²	22	97.2 Å²	97.2	23%	0.227	52%	0.516	C	S	.	.			trans	89.1	165.8	-174.7	0	0	0	0	0	114.1	Y252 K256 D257 V258	Y252-G254 PolarHBondContact O-N 2.84Å; G254-K256 PolarHBondContact O-N 3.3Å; G254-K256 VanDerWaalsContact O-N 3.14Å; G254-D257 PolarHBondContact O-N 2.93Å; G254-V258 PolarHBondContact O-N 3.06Å
255	S	74.5	Confident	59.8	Low	19 Å²	19	94.9 Å²	94.9	13%	0.133	50%	0.5	C	S	.	.	H	α-helix	trans	-53	-38.3	-172.4	-29.5	0	0	0	0	113.5	Y252 V258 A259 D283	Y252-S255 PolarHBondContact OH-N 3.11Å; S255-V258 PolarHBondContact O-N 2.83Å; S255-A259 VanDerWaalsContact O-CB 3.3Å; S255-A259 WeakPolarHBondContact O-CB 3.12Å; S255-A259 PolarHBondContact O-N 3.09Å; S255-D283 WeakPolarHBondContact CB-OD1 3.49Å; S255-D283 PolarHBondContact OG-OD1 3.47Å; S255-D283 PolarHBondContact OG-OD2 3.47Å
256	K	79.4	Confident	61.5	Low	85 Å²	85	92 Å²	92	37%	0.37	48%	0.476	S	S	.	.	H	α-helix	trans	-68.1	-48.4	-175	-162.4	175.3	-163.5	-73.6	0	112	G254 V258 A259 E260 V278 A281	G254-K256 PolarHBondContact O-N 3.3Å; G254-K256 VanDerWaalsContact O-N 3.14Å; K256-V258 VanDerWaalsContact C-N 3.3Å; K256-V258 PolarHBondContact O-N 2.94Å; K256-A259 PolarHBondContact O-N 3.22Å; K256-E260 IonicContact NZ-OE1 2.72Å; K256-E260 PolarHBondContact NZ-OE1 3.42Å; K256-E260 WeakPolarHBondContact O-CB 3.3Å; K256-E260 WeakPolarHBondContact O-CG 3.49Å; K256-E260 PolarHBondContact O-N 2.78Å; K256-V278 VanDerWaalsContact CE-O 3.29Å; K256-V278 WeakPolarHBondContact CE-O 3.34Å; K256-V278 HydrophobicContact CG-CB 4.48Å; K256-V278 HydrophobicContact CG-CG1 3.93Å; K256-V278 PolarHBondContact NZ-O 3.11Å; K256-A281 HydrophobicContact CB-CB 4.36Å
257	D	75	Confident	63.3	Low	72 Å²	72	84.2 Å²	84.2	39%	0.385	44%	0.435	S	S	.	.	H	α-helix	trans	-62.4	-38	177.1	-80.7	42	0	0	0	111.5	N253 G254 N261	N253-D257 HydrophobicContact CB-CB 3.52Å; N253-D257 VanDerWaalsContact CB-OD2 3.22Å; N253-D257 WeakPolarHBondContact CB-OD2 3.38Å; N253-D257 PolarHBondContact ND2-OD2 2.86Å; G254-D257 PolarHBondContact O-N 2.93Å; D257-N261 WeakPolarHBondContact O-CB 3.45Å; D257-N261 PolarHBondContact O-N 2.92Å
258	V	77.9	Confident	65	Low	64 Å²	64	81.5 Å²	81.5	39%	0.388	43%	0.425	S	S	.	.	H	α-helix	trans	-68.6	-42.4	176.7	179.2	0	0	0	0	111.1	Y252 G254 S255 K256 N261 A262 I293	Y252-V258 HydrophobicContact CD2-CG2 4.3Å; Y252-V258 HydrophobicContact CE2-CG2 3.92Å; G254-V258 PolarHBondContact O-N 3.06Å; S255-V258 PolarHBondContact O-N 2.83Å; K256-V258 VanDerWaalsContact C-N 3.3Å; K256-V258 PolarHBondContact O-N 2.94Å; V258-N261 PolarHBondContact O-N 2.8Å; V258-A262 WeakPolarHBondContact O-CB 3.21Å; V258-A262 PolarHBondContact O-N 3.27Å; V258-I293 HydrophobicContact CB-CD1 3.59Å; V258-I293 HydrophobicContact CG1-CD1 3.51Å; V258-I293 HydrophobicContact CG2-CD1 4.42Å
259	A	79.1	Confident	66.6	Low	9 Å²	9	84 Å²	84	7%	0.074	42%	0.423	C	S	.	.	H	α-helix	trans	-64.5	-43.1	174.4	0	0	0	0	0	112.5	S255 K256 N261 A262 I263 V278 A281 I293 A295	S255-A259 VanDerWaalsContact O-CB 3.3Å; S255-A259 WeakPolarHBondContact O-CB 3.12Å; S255-A259 PolarHBondContact O-N 3.09Å; K256-A259 PolarHBondContact O-N 3.22Å; A259-N261 VanDerWaalsContact C-N 3.34Å; A259-N261 PolarHBondContact O-N 3.06Å; A259-A262 PolarHBondContact O-N 3.05Å; A259-I263 WeakPolarHBondContact O-CB 3.37Å; A259-I263 WeakPolarHBondContact O-CG1 3.29Å; A259-I263 PolarHBondContact O-N 2.91Å; A259-V278 HydrophobicContact CB-CG1 4.25Å; A259-V278 HydrophobicContact CB-CG2 3.95Å; A259-A281 HydrophobicContact CB-CB 4.06Å; A259-I293 HydrophobicContact CB-CG2 4.28Å; A259-A295 HydrophobicContact CB-CB 3.67Å
260	E	79.9	Confident	68.3	Low	79 Å²	79	85 Å²	85	37%	0.369	41%	0.414	S	S	.	.	H	α-helix	trans	-63.2	-41.5	175.8	-76.5	-177.7	-168.6	0	0	111.2	K256 I263 Y264 V278	K256-E260 IonicContact NZ-OE1 2.72Å; K256-E260 PolarHBondContact NZ-OE1 3.42Å; K256-E260 WeakPolarHBondContact O-CB 3.3Å; K256-E260 WeakPolarHBondContact O-CG 3.49Å; K256-E260 PolarHBondContact O-N 2.78Å; E260-I263 PolarHBondContact O-N 2.88Å; E260-Y264 WeakPolarHBondContact O-CB 3.11Å; E260-Y264 PolarHBondContact O-N 3.41Å; E260-V278 HydrophobicContact CB-CG2 4.34Å; E260-V278 HydrophobicContact CG-CB 3.67Å; E260-V278 HydrophobicContact CG-CG2 3.55Å
261	N	74.9	Confident	69.7	Low	76 Å²	76	85.2 Å²	85.2	41%	0.406	42%	0.416	S	S	.	.	H	α-helix	trans	-66.7	-37.8	175.8	-167.8	-18.5	0	0	0	111.8	D257 V258 A259 K265	D257-N261 WeakPolarHBondContact O-CB 3.45Å; D257-N261 PolarHBondContact O-N 2.92Å; V258-N261 PolarHBondContact O-N 2.8Å; A259-N261 VanDerWaalsContact C-N 3.34Å; A259-N261 PolarHBondContact O-N 3.06Å; N261-K265 VanDerWaalsContact O-CB 3.28Å; N261-K265 WeakPolarHBondContact O-CB 3.23Å; N261-K265 WeakPolarHBondContact O-CD 3.46Å; N261-K265 VanDerWaalsContact O-CG 3.24Å; N261-K265 WeakPolarHBondContact O-CG 3.41Å; N261-K265 PolarHBondContact O-N 3.31Å; N261-K265 WeakPolarHBondContact OD1-CD 3.45Å; N261-K265 WeakPolarHBondContact OD1-CE 3.28Å; N261-K265 PolarHBondContact OD1-NZ 2.89Å
262	A	77.2	Confident	70.7	Confident	58 Å²	58	77.9 Å²	77.9	48%	0.479	39%	0.391	S	S	.	.	H	α-helix	trans	-65.3	-47.3	174.5	0	0	0	0	0	112	V258 A259 K265 K266	V258-A262 WeakPolarHBondContact O-CB 3.21Å; V258-A262 PolarHBondContact O-N 3.27Å; A259-A262 PolarHBondContact O-N 3.05Å; A262-K265 PolarHBondContact O-N 3.39Å; A262-K266 PolarHBondContact O-N 3.42Å
263	I	76.8	Confident	71	Confident	33 Å²	33	76.6 Å²	76.6	17%	0.169	40%	0.395	C	S	.	.	H	α-helix	trans	-65.4	-42.8	175.7	-72.3	-173.8	0	0	0	111.3	A259 E260 K265 K266 N267 W276 V278 A297	A259-I263 WeakPolarHBondContact O-CB 3.37Å; A259-I263 WeakPolarHBondContact O-CG1 3.29Å; A259-I263 PolarHBondContact O-N 2.91Å; E260-I263 PolarHBondContact O-N 2.88Å; I263-K265 VanDerWaalsContact C-N 3.34Å; I263-K265 PolarHBondContact O-N 2.88Å; I263-K266 WeakPolarHBondContact O-CA 3.42Å; I263-K266 VanDerWaalsContact O-CB 3.27Å; I263-K266 WeakPolarHBondContact O-CB 3.47Å; I263-K266 PolarHBondContact O-N 3.12Å; I263-N267 PolarHBondContact O-N 3.14Å; I263-N267 PolarHBondContact O-OD1 3.46Å; I263-N267 VanDerWaalsContact O-OD1 3.07Å; I263-W276 HydrophobicContact CD1-CB 4.49Å; I263-W276 HydrophobicContact CG2-CB 3.58Å; I263-W276 WeakPolarHBondContact CG2-O 3.31Å; I263-V278 HydrophobicContact CD1-CG2 3.77Å; I263-A297 HydrophobicContact CD1-CB 3.66Å
264	Y	71.6	Confident	71	Confident	133 Å²	133	76 Å²	76	52%	0.522	39%	0.387	S	S	.	.	H	α-helix	trans	-60.3	-43.4	175.3	177.9	-111.1	0	0	0	111.9	E260 K266 N267 L268	E260-Y264 WeakPolarHBondContact O-CB 3.11Å; E260-Y264 PolarHBondContact O-N 3.41Å; Y264-K266 VanDerWaalsContact C-N 3.27Å; Y264-K266 PolarHBondContact O-N 3.48Å; Y264-N267 PolarHBondContact O-N 3.42Å; Y264-L268 HydrophobicContact CD1-CD1 3.95Å; Y264-L268 HydrophobicContact CD2-CG 4.49Å; Y264-L268 HydrophobicContact CE1-CD1 3.43Å; Y264-L268 VanDerWaalsContact CE1-CD1 3.43Å; Y264-L268 HydrophobicContact CE1-CG 4.21Å; Y264-L268 HydrophobicContact CE2-CD1 4.21Å; Y264-L268 HydrophobicContact CE2-CD2 4.4Å; Y264-L268 HydrophobicContact CE2-CG 4.13Å; Y264-L268 WeakPolarHBondContact O-CB 3.21Å; Y264-L268 WeakPolarHBondContact O-CG 2.99Å; Y264-L268 PolarHBondContact O-N 2.89Å
265	K	74.5	Confident	70.5	Confident	114 Å²	114	80.7 Å²	80.7	50%	0.496	40%	0.399	S	S	.	.	H	α-helix	trans	-64.8	-26.8	172.7	-77.9	166	175.1	151	0	113.4	N261 A262 I263 K269	N261-K265 VanDerWaalsContact O-CB 3.28Å; N261-K265 WeakPolarHBondContact O-CB 3.23Å; N261-K265 WeakPolarHBondContact O-CD 3.46Å; N261-K265 VanDerWaalsContact O-CG 3.24Å; N261-K265 WeakPolarHBondContact O-CG 3.41Å; N261-K265 PolarHBondContact O-N 3.31Å; N261-K265 WeakPolarHBondContact OD1-CD 3.45Å; N261-K265 WeakPolarHBondContact OD1-CE 3.28Å; N261-K265 PolarHBondContact OD1-NZ 2.89Å; A262-K265 PolarHBondContact O-N 3.39Å; I263-K265 VanDerWaalsContact C-N 3.34Å; I263-K265 PolarHBondContact O-N 2.88Å; K265-K269 WeakPolarHBondContact O-CB 3.34Å; K265-K269 WeakPolarHBondContact O-CD 3.13Å; K265-K269 WeakPolarHBondContact O-CG 3.29Å; K265-K269 PolarHBondContact O-N 3.43Å
266	K	69.6	Low	70.5	Confident	54 Å²	54	84.7 Å²	84.7	24%	0.235	41%	0.411	C	S	.	.	H	α-helix	trans	-70.9	-57.8	171.2	-177.8	-168.5	169.9	171.4	0	110.3	H220 A262 I263 Y264 L268 K269 E270	H220-K266 WeakPolarHBondContact CD2-CE 3.44Å; H220-K266 PolarHBondContact CD2-NZ 3.34Å; H220-K266 WeakPolarHBondContact NE2-CE 3.45Å; H220-K266 PolarHBondContact NE2-NZ 3.32Å; A262-K266 PolarHBondContact O-N 3.42Å; I263-K266 WeakPolarHBondContact O-CA 3.42Å; I263-K266 VanDerWaalsContact O-CB 3.27Å; I263-K266 WeakPolarHBondContact O-CB 3.47Å; I263-K266 PolarHBondContact O-N 3.12Å; Y264-K266 VanDerWaalsContact C-N 3.27Å; Y264-K266 PolarHBondContact O-N 3.48Å; K266-L268 PolarHBondContact O-N 2.9Å; K266-K269 WeakPolarHBondContact O-CA 3.41Å; K266-K269 WeakPolarHBondContact O-CB 3.22Å; K266-K269 PolarHBondContact O-N 3.31Å; K266-E270 VanDerWaalsContact CE-CD 3.42Å; K266-E270 WeakPolarHBondContact CE-OE1 3.01Å; K266-E270 WeakPolarHBondContact CE-OE2 3.46Å; K266-E270 VanDerWaalsContact CG-CD 3.48Å; K266-E270 HydrophobicContact CG-CG 4.41Å; K266-E270 VanDerWaalsContact CG-OE1 3.29Å; K266-E270 WeakPolarHBondContact CG-OE1 3.48Å; K266-E270 IonicContact NZ-OE2 2.64Å; K266-E270 PolarHBondContact O-N 2.92Å
267	N	69.1	Low	70.2	Confident	13 Å²	13	82.8 Å²	82.8	7%	0.07	41%	0.411	C	S	.	.	H	α-helix	trans	-56	-39.9	-178.3	-55.6	-2.1	0	0	0	111.2	I263 Y264 K269 N271 D272	I263-N267 PolarHBondContact O-N 3.14Å; I263-N267 PolarHBondContact O-OD1 3.46Å; I263-N267 VanDerWaalsContact O-OD1 3.07Å; Y264-N267 PolarHBondContact O-N 3.42Å; N267-K269 PolarHBondContact O-N 2.89Å; N267-N271 PolarHBondContact O-N 3.07Å; N267-D272 PolarHBondContact O-N 3.16Å
268	L	68	Low	70.4	Confident	111 Å²	111	79.7 Å²	79.7	58%	0.581	40%	0.395	S	S	*	.	H	α-helix	trans	-64.9	-31.8	173.5	-78.4	-177.6	0	0	0	114.9	Y264 K266	Y264-L268 HydrophobicContact CD1-CD1 3.95Å; Y264-L268 HydrophobicContact CD2-CG 4.49Å; Y264-L268 HydrophobicContact CE1-CD1 3.43Å; Y264-L268 VanDerWaalsContact CE1-CD1 3.43Å; Y264-L268 HydrophobicContact CE1-CG 4.21Å; Y264-L268 HydrophobicContact CE2-CD1 4.21Å; Y264-L268 HydrophobicContact CE2-CD2 4.4Å; Y264-L268 HydrophobicContact CE2-CG 4.13Å; Y264-L268 WeakPolarHBondContact O-CB 3.21Å; Y264-L268 WeakPolarHBondContact O-CG 2.99Å; Y264-L268 PolarHBondContact O-N 2.89Å; K266-L268 PolarHBondContact O-N 2.9Å
269	K	69.8	Low	70.6	Confident	181 Å²	181	80.9 Å²	80.9	79%	0.787	40%	0.403	S	S	*	.	H	α-helix	trans	-83.1	-37.6	179.7	-81	175.1	179.6	179.6	0	112.5	K265 K266 N267 N271	K265-K269 WeakPolarHBondContact O-CB 3.34Å; K265-K269 WeakPolarHBondContact O-CD 3.13Å; K265-K269 WeakPolarHBondContact O-CG 3.29Å; K265-K269 PolarHBondContact O-N 3.43Å; K266-K269 WeakPolarHBondContact O-CA 3.41Å; K266-K269 WeakPolarHBondContact O-CB 3.22Å; K266-K269 PolarHBondContact O-N 3.31Å; N267-K269 PolarHBondContact O-N 2.89Å; K269-N271 VanDerWaalsContact C-N 3.32Å
270	E	67.1	Low	70.4	Confident	96 Å²	96	81.7 Å²	81.7	45%	0.449	41%	0.412	S	S	.	.	H	α-helix	trans	-86	-10.5	-176.2	-67.8	171.6	-164.8	0	0	111.5	K266 D272	K266-E270 VanDerWaalsContact CE-CD 3.42Å; K266-E270 WeakPolarHBondContact CE-OE1 3.01Å; K266-E270 WeakPolarHBondContact CE-OE2 3.46Å; K266-E270 VanDerWaalsContact CG-CD 3.48Å; K266-E270 HydrophobicContact CG-CG 4.41Å; K266-E270 VanDerWaalsContact CG-OE1 3.29Å; K266-E270 WeakPolarHBondContact CG-OE1 3.48Å; K266-E270 IonicContact NZ-OE2 2.64Å; K266-E270 PolarHBondContact O-N 2.92Å; E270-D272 HydrophobicContact CB-CB 4.24Å; E270-D272 PolarHBondContact O-N 2.81Å
271	N	63.4	Low	70.2	Confident	147 Å²	147	79.4 Å²	79.4	79%	0.786	41%	0.407	S	S	*	.	T	Hydrogen-bonded Turn	trans	51.9	36.4	-176.2	-168.4	91.2	0	0	0	110.9	N267 K269	N267-N271 PolarHBondContact O-N 3.07Å; K269-N271 VanDerWaalsContact C-N 3.32Å
272	D	58.6	Low	70.1	Confident	58 Å²	58	81.6 Å²	81.6	31%	0.31	41%	0.414	S	S	.	.			trans	-78.2	141.6	-168.7	-159.3	6.1	0	0	0	110.2	N267 E270 F274	N267-D272 PolarHBondContact O-N 3.16Å; E270-D272 HydrophobicContact CB-CB 4.24Å; E270-D272 PolarHBondContact O-N 2.81Å; D272-F274 PolarHBondContact O-N 2.75Å; D272-F274 WeakPolarHBondContact OD1-CD2 3.39Å
273	T	52.7	Low	69.8	Low	83 Å²	83	81.3 Å²	81.3	51%	0.509	41%	0.405	S	S	.	.	S	Bend	trans	-77.7	-7.5	-178.2	46.3	0	0	0	0	113.2
274	F	58.9	Low	68.7	Low	89 Å²	89	80.5 Å²	80.5	39%	0.39	40%	0.401	S	S	.	.			trans	-104	119.9	-173.3	-61.8	-78	0	0	0	111.1	D272 W276 D299	D272-F274 PolarHBondContact O-N 2.75Å; D272-F274 WeakPolarHBondContact OD1-CD2 3.39Å; F274-W276 PolarHBondContact O-N 3.18Å; F274-D299 WeakPolarHBondContact CD1-OD2 3.36Å
275	Y	62.6	Low	68.1	Low	120 Å²	120	74.8 Å²	74.8	47%	0.471	38%	0.379	S	S	.	.			trans	-93.3	90.5	179.7	-80.8	-86.6	0	0	0	110.3	A277 T300 C302	Y275-A277 PolarHBondContact O-N 2.88Å; Y275-T300 WeakPolarHBondContact CB-OG1 3.25Å; Y275-T300 WeakPolarHBondContact O-CB 3.49Å; Y275-T300 PolarHBondContact O-N 3.35Å; Y275-T300 VanDerWaalsContact O-N 3.15Å; Y275-T300 PolarHBondContact O-OG1 2.55Å; Y275-C302 HydrophobicContact CD2-CB 4.17Å
276	W	74	Confident	66.9	Low	103 Å²	103	74.6 Å²	74.6	39%	0.39	38%	0.383	S	S	.	.			trans	-62	124.5	170	-60.3	93	0	0	0	111.4	I263 F274 A297 D299	I263-W276 HydrophobicContact CD1-CB 4.49Å; I263-W276 HydrophobicContact CG2-CB 3.58Å; I263-W276 WeakPolarHBondContact CG2-O 3.31Å; F274-W276 PolarHBondContact O-N 3.18Å; W276-A297 HydrophobicContact CB-CB 4.45Å; W276-A297 HydrophobicContact CE3-CB 4.4Å; W276-D299 HydrophobicContact CE3-CB 4.32Å; W276-D299 HydrophobicContact CH2-CB 4.41Å; W276-D299 HydrophobicContact CZ3-CB 4.17Å
277	A	74.6	Confident	65.7	Low	45 Å²	45	73.2 Å²	73.2	37%	0.372	38%	0.377	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-111.7	130.8	175.5	0	0	0	0	0	111	Y275 T279 A297 K298 T300	Y275-A277 PolarHBondContact O-N 2.88Å; A277-T279 PolarHBondContact O-N 2.91Å; A277-A297 CarbonylContact O-C 3.56Å; A277-A297 WeakPolarHBondContact O-CA 3.49Å; A277-A297 WeakPolarHBondContact O-CB 3.05Å; A277-K298 PolarHBondContact N-O 2.89Å; A277-K298 PolarHBondContact O-N 2.86Å; A277-T300 HydrophobicContact CB-CG2 3.8Å
278	V	78.2	Confident	64.3	Low	8 Å²	8	76.8 Å²	76.8	5%	0.048	40%	0.396	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-70.8	115.1	179.9	178.8	0	0	0	0	110.5	K256 A259 E260 I263 G280 A281 T296	K256-V278 VanDerWaalsContact CE-O 3.29Å; K256-V278 WeakPolarHBondContact CE-O 3.34Å; K256-V278 HydrophobicContact CG-CB 4.48Å; K256-V278 HydrophobicContact CG-CG1 3.93Å; K256-V278 PolarHBondContact NZ-O 3.11Å; A259-V278 HydrophobicContact CB-CG1 4.25Å; A259-V278 HydrophobicContact CB-CG2 3.95Å; E260-V278 HydrophobicContact CB-CG2 4.34Å; E260-V278 HydrophobicContact CG-CB 3.67Å; E260-V278 HydrophobicContact CG-CG2 3.55Å; I263-V278 HydrophobicContact CD1-CG2 3.77Å; V278-G280 WeakPolarHBondContact CG1-O 3.38Å; V278-A281 HydrophobicContact CG1-CB 4.19Å; V278-T296 CarbonylContact C-O 3.59Å; V278-T296 WeakPolarHBondContact CA-O 3.18Å
279	T	82	Confident	63.1	Low	89 Å²	89	74.6 Å²	74.6	55%	0.546	40%	0.4	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-82.8	-29.9	176.3	43	0	0	0	0	112.3	A277 T296 K298	A277-T279 PolarHBondContact O-N 2.91Å; T279-T296 PolarHBondContact N-O 2.9Å; T279-T296 VanDerWaalsContact OG1-C 3.23Å; T279-T296 VanDerWaalsContact OG1-CB 3.3Å; T279-T296 WeakPolarHBondContact OG1-CB 3.24Å; T279-T296 PolarHBondContact OG1-O 3.01Å; T279-T296 VanDerWaalsContact OG1-O 3.08Å; T279-T296 PolarHBondContact OG1-OG1 2.82Å; T279-K298 HydrophobicContact CG2-CB 3.9Å
280	G	74.6	Confident	62	Low	25 Å²	25	68 Å²	68	26%	0.258	38%	0.38	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-168.4	154.2	175.1	0	0	0	0	0	111.3	V278 A295 T296	V278-G280 WeakPolarHBondContact CG1-O 3.38Å; G280-A295 CarbonylContact O-C 3.58Å; G280-A295 WeakPolarHBondContact O-CA 3.3Å; G280-T296 PolarHBondContact N-O 3.43Å; G280-T296 PolarHBondContact N-OG1 2.76Å; G280-T296 VanDerWaalsContact N-OG1 3.11Å; G280-T296 PolarHBondContact O-N 3Å; G280-T296 PolarHBondContact O-OG1 2.88Å
281	A	76.6	Confident	61.6	Low	32 Å²	32	66.3 Å²	66.3	26%	0.264	37%	0.373	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-147.4	142.7	178.3	0	0	0	0	0	110.5	K256 A259 V278 I293 A294 A295	K256-A281 HydrophobicContact CB-CB 4.36Å; A259-A281 HydrophobicContact CB-CB 4.06Å; V278-A281 HydrophobicContact CG1-CB 4.19Å; A281-I293 HydrophobicContact CB-CG2 3.88Å; A281-A294 CarbonylContact C-O 3.53Å; A281-A294 VanDerWaalsContact CA-O 3.22Å; A281-A294 WeakPolarHBondContact CA-O 3.24Å; A281-A295 HydrophobicContact CB-CB 4.29Å
282	E	73	Confident	61.7	Low	122 Å²	122	60.9 Å²	60.9	57%	0.57	34%	0.344	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-138.1	144.8	-178.8	64.3	-179.1	176.9	0	0	112.1	L284 I293 A294	E282-L284 HydrophobicContact CG-CD2 4.15Å; E282-L284 PolarHBondContact O-N 2.99Å; E282-I293 WeakPolarHBondContact O-CA 3.47Å; E282-A294 HydrophobicContact CG-CB 3.9Å; E282-A294 PolarHBondContact N-O 2.03Å; E282-A294 PolarHBondContact O-N 3.25Å
283	D	69.5	Low	62.2	Low	51 Å²	51	59.9 Å²	59.9	27%	0.273	34%	0.338	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-84.5	107.1	177.7	-66	-12.8	0	0	0	109.5	S20 Y252 S255 I291	S20-D283 WeakPolarHBondContact CB-O 3.22Å; S20-D283 PolarHBondContact OG-O 2.77Å; Y252-D283 PolarHBondContact OH-OD1 3.46Å; Y252-D283 PolarHBondContact OH-OD2 3.08Å; S255-D283 WeakPolarHBondContact CB-OD1 3.49Å; S255-D283 PolarHBondContact OG-OD1 3.47Å; S255-D283 PolarHBondContact OG-OD2 3.47Å; D283-I291 HydrophobicContact CB-CG2 3.96Å
284	L	55.4	Low	63	Low	17 Å²	17	57.5 Å²	57.5	9%	0.089	33%	0.327	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-78.3	-46.6	178.6	-63.4	-177.1	0	0	0	111.5	S20 F83 E282 I292 A294	S20-L284 PolarHBondContact N-O 2.86Å; F83-L284 HydrophobicContact CE1-CD1 4.15Å; F83-L284 HydrophobicContact CZ-CD1 3.97Å; E282-L284 HydrophobicContact CG-CD2 4.15Å; E282-L284 PolarHBondContact O-N 2.99Å; L284-I292 HydrophobicContact CB-CG2 4.46Å; L284-I292 WeakPolarHBondContact CB-O 3.4Å; L284-I292 HydrophobicContact CD1-CG2 4.26Å; L284-I292 PolarHBondContact N-O 2.8Å; L284-A294 HydrophobicContact CD1-CB 3.84Å; L284-A294 HydrophobicContact CD2-CB 4.17Å; L284-A294 HydrophobicContact CG-CB 3.94Å
285	F	58.4	Low	63.7	Low	13 Å²	13	55.7 Å²	55.7	6%	0.057	33%	0.328	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-150.7	147.7	-173.7	-53.2	-79.1	0	0	0	111.5	I17 P18 T19 F83 I291 I292	I17-F285 HydrophobicContact CD1-CD1 4.11Å; I17-F285 HydrophobicContact CD1-CE1 3.34Å; I17-F285 HydrophobicContact CD1-CE2 4.45Å; I17-F285 HydrophobicContact CD1-CZ 3.56Å; I17-F285 HydrophobicContact CG1-CE1 4.01Å; I17-F285 HydrophobicContact CG1-CZ 4.45Å; P18-F285 WeakPolarHBondContact O-CD1 3.42Å; P18-F285 WeakPolarHBondContact O-CE1 3.36Å; T19-F285 HydrophobicContact CG2-CE1 3.8Å; T19-F285 HydrophobicContact CG2-CZ 4.41Å; F83-F285 AromaticContact CE1-CE2 3.64Å; F83-F285 HydrophobicContact CE1-CE2 3.64Å; F83-F285 AromaticContact CE1-CZ 3.68Å; F83-F285 HydrophobicContact CE1-CZ 3.68Å; F83-F285 AromaticContact CZ-CE2 3.79Å; F83-F285 HydrophobicContact CZ-CE2 3.79Å; F83-F285 HydrophobicContact CZ-CZ 4.18Å; F285-I291 CarbonylContact O-C 3.59Å; F285-I291 VanDerWaalsContact O-CA 3.3Å; F285-I291 WeakPolarHBondContact O-CA 3.35Å; F285-I292 HydrophobicContact CB-CB 4.33Å; F285-I292 HydrophobicContact CB-CD1 4.36Å; F285-I292 HydrophobicContact CB-CG1 4.44Å; F285-I292 HydrophobicContact CD2-CB 4.22Å; F285-I292 HydrophobicContact CD2-CD1 4.05Å; F285-I292 HydrophobicContact CD2-CG2 4.47Å; F285-I292 PolarHBondContact O-N 2.79Å
286	D	49.9	Very low	64.2	Low	109 Å²	109	53.6 Å²	53.6	58%	0.583	33%	0.328	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-101	127.7	155.5	177.2	4.1	0	0	0	108.5	G289 I291	D286-G289 VanDerWaalsContact OD1-CA 3.31Å; D286-G289 WeakPolarHBondContact OD1-CA 3.23Å; D286-G289 PolarHBondContact OD1-N 3.1Å; D286-I291 HydrophobicContact CB-CG1 4.47Å
287	F	43.3	Very low	64.3	Low	25 Å²	25	50.6 Å²	50.6	11%	0.11	33%	0.325	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-125.4	97.4	175.4	-167.5	-80.5	0	0	0	109.4	L99 P100 F209 G289 A290	L99-F287 HydrophobicContact CB-CD2 4Å; L99-F287 HydrophobicContact CB-CE2 3.74Å; L99-F287 HydrophobicContact CD1-CD2 3.81Å; L99-F287 HydrophobicContact CD1-CE2 4.13Å; L99-F287 HydrophobicContact CD2-CE2 4.39Å; L99-F287 HydrophobicContact CG-CD2 4.41Å; L99-F287 HydrophobicContact CG-CE2 4.29Å; P100-F287 HydrophobicContact CG-CZ 4.05Å; F209-F287 VanDerWaalsContact O-CZ 3.27Å; F209-F287 WeakPolarHBondContact O-CZ 3.31Å; F287-G289 PolarHBondContact O-N 2.94Å; F287-A290 PolarHBondContact N-O 2.87Å; F287-A290 WeakPolarHBondContact O-CB 3.44Å; F287-A290 PolarHBondContact O-N 3.24Å
288	N	40.8	Very low	64.3	Low	89 Å²	89	53.3 Å²	53.3	48%	0.476	33%	0.328	S	S	.	.	T	Hydrogen-bonded Turn	trans	54.8	34.2	179.3	-57.3	-37.3	0	0	0	114.2	P100 S101	P100-N288 PolarHBondContact O-ND2 3.48Å; S101-N288 WeakPolarHBondContact CA-OD1 3.13Å
289	G	42.5	Very low	64	Low	65 Å²	65	55.7 Å²	55.7	67%	0.67	34%	0.341	S	S	*	.	T	Hydrogen-bonded Turn	trans	87.2	0.1	-176	0	0	0	0	0	114.4	D286 F287	D286-G289 VanDerWaalsContact OD1-CA 3.31Å; D286-G289 WeakPolarHBondContact OD1-CA 3.23Å; D286-G289 PolarHBondContact OD1-N 3.1Å; F287-G289 PolarHBondContact O-N 2.94Å
290	A	46.6	Very low	63	Low	43 Å²	43	53.7 Å²	53.7	36%	0.355	33%	0.328	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-95.8	108.7	166.2	0	0	0	0	0	109.4	F287	F287-A290 PolarHBondContact N-O 2.87Å; F287-A290 WeakPolarHBondContact O-CB 3.44Å; F287-A290 PolarHBondContact O-N 3.24Å
291	I	57.9	Low	61.9	Low	60 Å²	60	59.5 Å²	59.5	31%	0.308	35%	0.354	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-84.5	123.9	178.1	-58	173.7	0	0	0	109.4	Y252 D283 F285 D286 I293	Y252-I291 HydrophobicContact CD2-CD1 4.33Å; Y252-I291 HydrophobicContact CE1-CD1 4.25Å; Y252-I291 HydrophobicContact CE2-CD1 3.7Å; D283-I291 HydrophobicContact CB-CG2 3.96Å; F285-I291 CarbonylContact O-C 3.59Å; F285-I291 VanDerWaalsContact O-CA 3.3Å; F285-I291 WeakPolarHBondContact O-CA 3.35Å; D286-I291 HydrophobicContact CB-CG1 4.47Å; I291-I293 HydrophobicContact CG2-CG1 3.94Å
292	I	65.1	Low	60.2	Low	33 Å²	33	61.3 Å²	61.3	17%	0.169	36%	0.364	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-83.2	113.7	171.6	-57.6	-177.4	0	0	0	107.9	A216 L284 F285	A216-I292 HydrophobicContact CB-CD1 4.09Å; A216-I292 HydrophobicContact CB-CG1 3.84Å; L284-I292 HydrophobicContact CB-CG2 4.46Å; L284-I292 WeakPolarHBondContact CB-O 3.4Å; L284-I292 HydrophobicContact CD1-CG2 4.26Å; L284-I292 PolarHBondContact N-O 2.8Å; F285-I292 HydrophobicContact CB-CB 4.33Å; F285-I292 HydrophobicContact CB-CD1 4.36Å; F285-I292 HydrophobicContact CB-CG1 4.44Å; F285-I292 HydrophobicContact CD2-CB 4.22Å; F285-I292 HydrophobicContact CD2-CD1 4.05Å; F285-I292 HydrophobicContact CD2-CG2 4.47Å; F285-I292 PolarHBondContact O-N 2.79Å
293	I	70.5	Confident	58.8	Low	37 Å²	37	61.5 Å²	61.5	19%	0.19	38%	0.375	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-106.6	121	-179.1	-62.5	163.7	0	0	0	109.2	V258 A259 A281 E282 I291	V258-I293 HydrophobicContact CB-CD1 3.59Å; V258-I293 HydrophobicContact CG1-CD1 3.51Å; V258-I293 HydrophobicContact CG2-CD1 4.42Å; A259-I293 HydrophobicContact CB-CG2 4.28Å; A281-I293 HydrophobicContact CB-CG2 3.88Å; E282-I293 WeakPolarHBondContact O-CA 3.47Å; I291-I293 HydrophobicContact CG2-CG1 3.94Å
294	A	69.7	Low	57.2	Low	33 Å²	33	64 Å²	64	27%	0.273	39%	0.392	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-80.1	130.3	161	0	0	0	0	0	108.6	A281 E282 L284	A281-A294 CarbonylContact C-O 3.53Å; A281-A294 VanDerWaalsContact CA-O 3.22Å; A281-A294 WeakPolarHBondContact CA-O 3.24Å; E282-A294 HydrophobicContact CG-CB 3.9Å; E282-A294 PolarHBondContact N-O 2.03Å; E282-A294 PolarHBondContact O-N 3.25Å; L284-A294 HydrophobicContact CD1-CB 3.84Å; L284-A294 HydrophobicContact CD2-CB 4.17Å; L284-A294 HydrophobicContact CG-CB 3.94Å
295	A	73	Confident	56.3	Low	50 Å²	50	75 Å²	75	41%	0.413	43%	0.433	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-130	131.4	178.5	0	0	0	0	0	110.6	A259 G280 A281	A259-A295 HydrophobicContact CB-CB 3.67Å; G280-A295 CarbonylContact O-C 3.58Å; G280-A295 WeakPolarHBondContact O-CA 3.3Å; A281-A295 HydrophobicContact CB-CB 4.29Å
296	T	73.8	Confident	55.3	Low	77 Å²	77	81.9 Å²	81.9	47%	0.472	47%	0.47	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-91.5	138.6	164.4	56.9	0	0	0	0	108.6	V278 T279 G280	V278-T296 CarbonylContact C-O 3.59Å; V278-T296 WeakPolarHBondContact CA-O 3.18Å; T279-T296 PolarHBondContact N-O 2.9Å; T279-T296 VanDerWaalsContact OG1-C 3.23Å; T279-T296 VanDerWaalsContact OG1-CB 3.3Å; T279-T296 WeakPolarHBondContact OG1-CB 3.24Å; T279-T296 PolarHBondContact OG1-O 3.01Å; T279-T296 VanDerWaalsContact OG1-O 3.08Å; T279-T296 PolarHBondContact OG1-OG1 2.82Å; G280-T296 PolarHBondContact N-O 3.43Å; G280-T296 PolarHBondContact N-OG1 2.76Å; G280-T296 VanDerWaalsContact N-OG1 3.11Å; G280-T296 PolarHBondContact O-N 3Å; G280-T296 PolarHBondContact O-OG1 2.88Å
297	A	75.1	Confident	54.5	Low	39 Å²	39	86.9 Å²	86.9	32%	0.322	49%	0.487	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-137.3	146.1	175.1	0	0	0	0	0	110.7	I263 W276 A277	I263-A297 HydrophobicContact CD1-CB 3.66Å; W276-A297 HydrophobicContact CB-CB 4.45Å; W276-A297 HydrophobicContact CE3-CB 4.4Å; A277-A297 CarbonylContact O-C 3.56Å; A277-A297 WeakPolarHBondContact O-CA 3.49Å; A277-A297 WeakPolarHBondContact O-CB 3.05Å
298	K	75.8	Confident	54.2	Low	103 Å²	103	89.3 Å²	89.3	45%	0.448	52%	0.518	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-113.8	140	172.3	-167.1	176.8	178.3	178.7	0	108.9	A277 T279	A277-K298 PolarHBondContact N-O 2.89Å; A277-K298 PolarHBondContact O-N 2.86Å; T279-K298 HydrophobicContact CG2-CB 3.9Å
299	D	70.2	Confident	53.9	Low	58 Å²	58	89.6 Å²	89.6	31%	0.31	53%	0.533	S	S	.	.			trans	-63.3	147.5	170.6	-174.8	17.5	0	0	0	110.7	F274 W276	F274-D299 WeakPolarHBondContact CD1-OD2 3.36Å; W276-D299 HydrophobicContact CE3-CB 4.32Å; W276-D299 HydrophobicContact CH2-CB 4.41Å; W276-D299 HydrophobicContact CZ3-CB 4.17Å
300	T	62.6	Low	53.6	Low	46 Å²	46	93 Å²	93	28%	0.282	54%	0.541	S	S	.	.			trans	-129.9	121.2	176.6	70.4	0	0	0	0	110.7	Y275 A277 C302	Y275-T300 WeakPolarHBondContact CB-OG1 3.25Å; Y275-T300 WeakPolarHBondContact O-CB 3.49Å; Y275-T300 PolarHBondContact O-N 3.35Å; Y275-T300 VanDerWaalsContact O-N 3.15Å; Y275-T300 PolarHBondContact O-OG1 2.55Å; A277-T300 HydrophobicContact CB-CG2 3.8Å; T300-C302 PolarHBondContact O-N 2.8Å
301	N	50.4	Low	52.7	Low	148 Å²	148	100.7 Å²	100.7	79%	0.791	57%	0.567	S	S	*	*			trans	-72.3	67	178	-77.9	-29.6	0	0	0	111.5	P303	N301-P303 VanDerWaalsContact O-CD 3.27Å; N301-P303 WeakPolarHBondContact O-CD 3.31Å
302	C	41	Very low	51.6	Low	70 Å²	70	103.2 Å²	103.2	47%	0.473	59%	0.587	S	S	.	*			trans	-90.1	105.1	174.5	-71.3	0	0	0	0	110.3	Y275 T300	Y275-C302 HydrophobicContact CD2-CB 4.17Å; T300-C302 PolarHBondContact O-N 2.8Å
303	P	43.5	Very low	50.2	Low	126 Å²	126	110.9 Å²	110.9	82%	0.818	62%	0.619	S	S	*	*	P	Polyproline II helix	trans	-65.6	137.2	-178.8	26.7	-34.6	0	0	0	111.7	N301	N301-P303 VanDerWaalsContact O-CD 3.27Å; N301-P303 WeakPolarHBondContact O-CD 3.31Å
304	T	37	Very low	48.4	Very low	102 Å²	102	119.1 Å²	119.1	63%	0.626	65%	0.654	S	S	*	*	P	Polyproline II helix	trans	-68.9	133.7	-176.8	47.3	0	0	0	0	112
305	R	35.6	Very low	46.9	Very low	249 Å²	249	125.9 Å²	125.9	94%	0.94	68%	0.679	S	S	*	*	P	Polyproline II helix	trans	-97.1	122.7	178.1	-148.4	176.1	-167.4	-173.6	3.8	110.3
306	N	36.5	Very low	45.1	Very low	158 Å²	158	130.9 Å²	130.9	85%	0.845	69%	0.694	S	S	*	*	P	Polyproline II helix	trans	-65.9	154.4	-173.6	-83.5	-44.5	0	0	0	114.3
307	K	33.7	Very low	43.2	Very low	214 Å²	214	136.7 Å²	136.7	93%	0.93	72%	0.716	S	S	*	*	P	Polyproline II helix	trans	-74.9	143	-177	-58.2	172.3	-178.4	172.6	0	112
308	G	38.1	Very low	41.3	Very low	75 Å²	75	143.8 Å²	143.8	77%	0.773	73%	0.734	S	S	*	*			trans	177.1	155.7	167.4	0	0	0	0	0	115.7
309	A	33.6	Very low	39.6	Very low	95 Å²	95	149.8 Å²	149.8	79%	0.785	75%	0.754	S	S	*	*			trans	62.1	87.4	162.4	0	0	0	0	0	120.8
310	T	35.3	Very low	38.4	Very low	138 Å²	138	155.8 Å²	155.8	85%	0.847	77%	0.774	S	S	*	*				35.1	130.7	123.4	53.3	0	0	0	0	122.8
311	K	28.9	Very low	38.1	Very low	204 Å²	204	160.8 Å²	160.8	89%	0.887	79%	0.789	S	S	*	*			trans	-91.6	155.1	152.5	-62	-179.5	175.4	179.3	0	109.9
312	P	33.4	Very low	38.8	Very low	113 Å²	113	154.8 Å²	154.8	73%	0.734	76%	0.762	S	S	*	*				-153.5	159.2	91.8	39.3	-21.1	0	0	0	118.4
313	K	36	Very low	39.9	Very low	194 Å²	194	154.2 Å²	154.2	84%	0.843	76%	0.758	S	S	*	*			trans	51.3	120.1	145.2	-68.2	175.9	179.1	177.7	0	122.6
314	K	33.4	Very low	41	Very low	210 Å²	210	152.1 Å²	152.1	91%	0.913	74%	0.739	S	S	*	*			trans	35.9	107.2	136.1	-69.2	-172.9	168.2	-170.1	0	119.3
315	E	37.3	Very low	42.6	Very low	174 Å²	174	150.7 Å²	150.7	81%	0.813	73%	0.727	S	S	*	*			trans	-153	141.5	138	-163	146	-146	0	0	112.7
316	Q	35.6	Very low	44.4	Very low	156 Å²	156	139.6 Å²	139.6	73%	0.729	69%	0.687	S	S	*	*			trans	46.8	147.2	160.5	-73	174.8	24.2	0	0	124	R318	Q316-R318 PolarHBondContact O-N 2.97Å; Q316-R318 VanDerWaalsContact O-N 3.1Å
317	E	33.8	Very low	46.3	Very low	199 Å²	199	132 Å²	132	93%	0.93	65%	0.647	S	S	*	*			trans	-76	87.1	174.1	-66.6	167.3	106.6	0	0	112.3
318	R	36.1	Very low	48.2	Very low	187 Å²	187	121.9 Å²	121.9	71%	0.706	60%	0.603	S	S	*	*			trans	-133.4	86.5	151.8	-66.3	-171.2	-172.1	178.4	4.6	109.2	Q316 Y320	Q316-R318 PolarHBondContact O-N 2.97Å; Q316-R318 VanDerWaalsContact O-N 3.1Å; R318-Y320 HydrophobicContact CB-CD2 4.14Å; R318-Y320 HydrophobicContact CB-CE2 4.11Å; R318-Y320 PolarHBondContact O-N 2.82Å
319	R	40.1	Very low	50	Low	230 Å²	230	123.5 Å²	123.5	87%	0.868	59%	0.587	S	S	*	*			trans	-68.9	83.8	163.6	-72.8	-163.6	-171.2	-169	6.8	108.4	Y321	R319-Y321 PolarHBondContact O-N 2.65Å
320	Y	43.8	Very low	52.2	Low	184 Å²	184	119 Å²	119	72%	0.722	55%	0.549	S	S	*	.			trans	-56.1	108.1	155.9	-81.2	-92	0	0	0	107.1	R318 G322	R318-Y320 HydrophobicContact CB-CD2 4.14Å; R318-Y320 HydrophobicContact CB-CE2 4.11Å; R318-Y320 PolarHBondContact O-N 2.82Å; Y320-G322 PolarHBondContact O-N 2.63Å; Y320-G322 VanDerWaalsContact O-N 3.09Å
321	Y	56.5	Low	54.1	Low	150 Å²	150	112.6 Å²	112.6	59%	0.588	51%	0.51	S	S	*	.			trans	-54.1	117.5	168.3	-69.5	-71	0	0	0	108.1	R319 D325	R319-Y321 PolarHBondContact O-N 2.65Å; Y321-D325 HydrophobicContact CD1-CB 3.8Å; Y321-D325 HydrophobicContact CG-CB 4.45Å
322	G	64.7	Low	56.3	Low	23 Å²	23	107.2 Å²	107.2	24%	0.237	49%	0.485	C	S	.	.			trans	-64.1	162.2	175.5	0	0	0	0	0	110.3	Y320 L324 D325 V326	Y320-G322 PolarHBondContact O-N 2.63Å; Y320-G322 VanDerWaalsContact O-N 3.09Å; G322-L324 PolarHBondContact O-N 2.88Å; G322-D325 PolarHBondContact N-OD2 2.98Å; G322-D325 PolarHBondContact O-N 3.13Å; G322-V326 WeakPolarHBondContact O-CG2 3.44Å; G322-V326 PolarHBondContact O-N 2.81Å
323	P	64.4	Low	58.4	Low	58 Å²	58	104 Å²	104	38%	0.377	46%	0.46	S	S	.	.	H	α-helix	trans	-54.4	-24.1	174	-25.8	35.1	0	0	0	113.4	V327 I361	P323-V327 VanDerWaalsContact O-CG2 3.23Å; P323-V327 WeakPolarHBondContact O-CG2 3.35Å; P323-V327 PolarHBondContact O-N 3.44Å; P323-I361 HydrophobicContact CB-CD1 4Å
324	L	68.1	Low	60.1	Low	81 Å²	81	95.2 Å²	95.2	42%	0.424	42%	0.422	S	S	.	.	H	α-helix	trans	-72.1	-51.3	172.3	-60	178.1	0	0	0	111.9	G322 V326 V327 A328 T349 Y378	G322-L324 PolarHBondContact O-N 2.88Å; L324-V326 VanDerWaalsContact C-N 3.28Å; L324-V326 PolarHBondContact O-N 2.9Å; L324-V327 WeakPolarHBondContact O-CB 3.17Å; L324-V327 PolarHBondContact O-N 3.43Å; L324-A328 PolarHBondContact O-N 2.87Å; L324-T349 HydrophobicContact CD2-CG2 4.05Å; L324-Y378 WeakPolarHBondContact CA-OH 3.41Å; L324-Y378 HydrophobicContact CB-CD2 4.44Å; L324-Y378 HydrophobicContact CB-CE1 4.48Å; L324-Y378 HydrophobicContact CB-CE2 3.71Å; L324-Y378 HydrophobicContact CD2-CE1 3.77Å; L324-Y378 WeakPolarHBondContact O-CE2 3.19Å; L324-Y378 PolarHBondContact O-OH 2.75Å; L324-Y378 VanDerWaalsContact O-OH 3.05Å
325	D	69.6	Low	61.9	Low	72 Å²	72	86.2 Å²	86.2	39%	0.385	38%	0.384	S	S	.	.	H	α-helix	trans	-62.3	-37.7	-178.6	-44.4	-35	0	0	0	111.6	Y321 G322 A328 Y329	Y321-D325 HydrophobicContact CD1-CB 3.8Å; Y321-D325 HydrophobicContact CG-CB 4.45Å; G322-D325 PolarHBondContact N-OD2 2.98Å; G322-D325 PolarHBondContact O-N 3.13Å; D325-A328 PolarHBondContact O-N 3.42Å; D325-Y329 WeakPolarHBondContact O-CB 3.34Å; D325-Y329 PolarHBondContact O-N 3.23Å
326	V	72.8	Confident	63.6	Low	16 Å²	16	83 Å²	83	10%	0.097	37%	0.372	C	S	.	.	H	α-helix	trans	-62.6	-40.8	174	176.8	0	0	0	0	111.6	G322 L324 G330 Y397 V404	G322-V326 WeakPolarHBondContact O-CG2 3.44Å; G322-V326 PolarHBondContact O-N 2.81Å; L324-V326 VanDerWaalsContact C-N 3.28Å; L324-V326 PolarHBondContact O-N 2.9Å; V326-G330 PolarHBondContact O-N 3.04Å; V326-Y397 HydrophobicContact CG1-CD1 4.14Å; V326-Y397 HydrophobicContact CG1-CD2 4.04Å; V326-Y397 HydrophobicContact CG1-CG 3.68Å; V326-Y397 HydrophobicContact CG2-CD2 4.23Å; V326-Y397 HydrophobicContact CG2-CE2 4.37Å; V326-V404 HydrophobicContact CG1-CG2 3.98Å
327	V	76.9	Confident	65.5	Low	0 Å²	0	81 Å²	81	0%	0	36%	0.36	C	S	.	.	H	α-helix	trans	-68	-43.2	175.4	161.7	0	0	0	0	111.3	P323 L324 Y329 G330 I331 V346 T349 I361 V363 Y378 V395	P323-V327 VanDerWaalsContact O-CG2 3.23Å; P323-V327 WeakPolarHBondContact O-CG2 3.35Å; P323-V327 PolarHBondContact O-N 3.44Å; L324-V327 WeakPolarHBondContact O-CB 3.17Å; L324-V327 PolarHBondContact O-N 3.43Å; V327-Y329 VanDerWaalsContact C-N 3.35Å; V327-Y329 PolarHBondContact O-N 2.7Å; V327-G330 PolarHBondContact O-N 3.01Å; V327-I331 HydrophobicContact CG1-CD1 3.79Å; V327-I331 WeakPolarHBondContact O-CB 3.36Å; V327-I331 WeakPolarHBondContact O-CG1 3.25Å; V327-I331 PolarHBondContact O-N 3.11Å; V327-V346 HydrophobicContact CG1-CG2 4.06Å; V327-T349 HydrophobicContact CG1-CG2 4.19Å; V327-I361 HydrophobicContact CG2-CB 4.05Å; V327-I361 HydrophobicContact CG2-CD1 3.72Å; V327-I361 HydrophobicContact CG2-CG1 4.48Å; V327-I361 HydrophobicContact CG2-CG2 3.85Å; V327-V363 HydrophobicContact CB-CG2 4.39Å; V327-V363 HydrophobicContact CG1-CB 4.36Å; V327-V363 HydrophobicContact CG1-CG1 3.82Å; V327-V363 HydrophobicContact CG1-CG2 3.63Å; V327-V363 HydrophobicContact CG2-CG2 3.78Å; V327-Y378 WeakPolarHBondContact CB-OH 3.33Å; V327-Y378 VanDerWaalsContact CG1-OH 3.27Å; V327-Y378 WeakPolarHBondContact CG1-OH 3.38Å; V327-V395 HydrophobicContact CG2-CB 4.35Å; V327-V395 HydrophobicContact CG2-CG2 4.3Å
328	A	74.6	Confident	67.5	Low	1 Å²	1	76.2 Å²	76.2	1%	0.008	34%	0.337	C	S	.	.	H	α-helix	trans	-57.7	-47.5	175.2	0	0	0	0	0	111.7	L324 D325 I331 Y332 V374 V377 Y378	L324-A328 PolarHBondContact O-N 2.87Å; D325-A328 PolarHBondContact O-N 3.42Å; A328-I331 PolarHBondContact O-N 2.94Å; A328-Y332 WeakPolarHBondContact O-CB 3.34Å; A328-Y332 PolarHBondContact O-N 2.86Å; A328-V374 HydrophobicContact CB-CG1 4.04Å; A328-V377 HydrophobicContact CB-CB 3.75Å; A328-V377 HydrophobicContact CB-CG1 4.01Å; A328-V377 HydrophobicContact CB-CG2 3.66Å; A328-Y378 HydrophobicContact CB-CE2 4Å
329	Y	75.6	Confident	69.1	Low	109 Å²	109	74.2 Å²	74.2	43%	0.427	34%	0.34	S	S	.	.	H	α-helix	trans	-65.8	-43.3	177.5	-165.9	-95.1	0	0	0	112.4	D325 V327 I331 Y332 E333 V404	D325-Y329 WeakPolarHBondContact O-CB 3.34Å; D325-Y329 PolarHBondContact O-N 3.23Å; V327-Y329 VanDerWaalsContact C-N 3.35Å; V327-Y329 PolarHBondContact O-N 2.7Å; Y329-I331 VanDerWaalsContact C-N 3.34Å; Y329-I331 PolarHBondContact O-N 2.84Å; Y329-Y332 PolarHBondContact O-N 3.44Å; Y329-E333 HydrophobicContact CD1-CG 4.13Å; Y329-E333 HydrophobicContact CE1-CG 3.76Å; Y329-E333 WeakPolarHBondContact O-CB 2.85Å; Y329-E333 PolarHBondContact O-N 2.99Å; Y329-V404 HydrophobicContact CD1-CG2 4.21Å
330	G	78.7	Confident	70.4	Confident	0 Å²	0	66.7 Å²	66.7	0%	0	32%	0.315	C	S	.	.	H	α-helix	trans	-62.8	-36.7	177.7	0	0	0	0	0	113.7	V326 V327 N334	V326-G330 PolarHBondContact O-N 3.04Å; V327-G330 PolarHBondContact O-N 3.01Å; G330-N334 WeakPolarHBondContact O-CB 3.48Å; G330-N334 PolarHBondContact O-N 2.9Å; G330-N334 VanDerWaalsContact O-N 3.12Å
331	I	75.6	Confident	71.4	Confident	4 Å²	4	64.5 Å²	64.5	2%	0.021	32%	0.316	C	S	.	.	H	α-helix	trans	-69.9	-42.9	174.5	-72.9	172.7	0	0	0	111	V327 A328 Y329 N334 N335 W344 V346 V363	V327-I331 HydrophobicContact CG1-CD1 3.79Å; V327-I331 WeakPolarHBondContact O-CB 3.36Å; V327-I331 WeakPolarHBondContact O-CG1 3.25Å; V327-I331 PolarHBondContact O-N 3.11Å; A328-I331 PolarHBondContact O-N 2.94Å; Y329-I331 VanDerWaalsContact C-N 3.34Å; Y329-I331 PolarHBondContact O-N 2.84Å; I331-N334 PolarHBondContact O-N 2.81Å; I331-N335 PolarHBondContact O-N 2.64Å; I331-N335 PolarHBondContact O-OD1 3.1Å; I331-W344 HydrophobicContact CG2-CB 3.88Å; I331-W344 HydrophobicContact CG2-CG 4.31Å; I331-V346 HydrophobicContact CD1-CG2 3.41Å; I331-V346 VanDerWaalsContact CD1-CG2 3.41Å; I331-V363 HydrophobicContact CD1-CG1 4.09Å
332	Y	76.2	Confident	72.1	Confident	91 Å²	91	61.8 Å²	61.8	36%	0.357	31%	0.307	S	S	.	.	H	α-helix	trans	-61.1	-47.9	175.9	178.6	-100	0	0	0	112.2	A328 Y329 N334 N335 L336 V374	A328-Y332 WeakPolarHBondContact O-CB 3.34Å; A328-Y332 PolarHBondContact O-N 2.86Å; Y329-Y332 PolarHBondContact O-N 3.44Å; Y332-N334 VanDerWaalsContact C-N 3.34Å; Y332-N334 PolarHBondContact O-N 3.18Å; Y332-N335 PolarHBondContact O-N 3.18Å; Y332-L336 HydrophobicContact CD1-CD1 3.99Å; Y332-L336 HydrophobicContact CE1-CD1 3.47Å; Y332-L336 VanDerWaalsContact CE1-CD1 3.47Å; Y332-L336 HydrophobicContact CE1-CG 4.35Å; Y332-L336 PolarHBondContact O-N 3.05Å; Y332-L336 VanDerWaalsContact O-N 3.11Å; Y332-V374 HydrophobicContact CD1-CG2 4.35Å; Y332-V374 HydrophobicContact CG-CG2 4.25Å
333	E	75.8	Confident	72.7	Confident	44 Å²	44	64.9 Å²	64.9	21%	0.206	31%	0.312	C	S	.	.	H	α-helix	trans	-54.8	-44.7	172	-93.4	-97	120	0	0	112.5	Y329 N335 L336 K337	Y329-E333 HydrophobicContact CD1-CG 4.13Å; Y329-E333 HydrophobicContact CE1-CG 3.76Å; Y329-E333 WeakPolarHBondContact O-CB 2.85Å; Y329-E333 PolarHBondContact O-N 2.99Å; E333-N335 VanDerWaalsContact C-N 3.34Å; E333-N335 PolarHBondContact O-N 3.31Å; E333-L336 PolarHBondContact O-N 3.16Å; E333-K337 WeakPolarHBondContact O-CB 3.49Å; E333-K337 VanDerWaalsContact O-CG 3.28Å; E333-K337 WeakPolarHBondContact O-CG 3.35Å; E333-K337 PolarHBondContact O-N 3Å; E333-K337 WeakPolarHBondContact OE2-CE 3.44Å; E333-K337 IonicContact OE2-NZ 3.24Å; E333-K337 PolarHBondContact OE2-NZ 3.29Å
334	N	73.5	Confident	73.4	Confident	11 Å²	11	62.7 Å²	62.7	6%	0.059	30%	0.296	C	S	.	.	H	α-helix	trans	-66.7	-33.2	179.1	172	77.8	0	0	0	112.5	G330 I331 Y332 K337 K338 T409	G330-N334 WeakPolarHBondContact O-CB 3.48Å; G330-N334 PolarHBondContact O-N 2.9Å; G330-N334 VanDerWaalsContact O-N 3.12Å; I331-N334 PolarHBondContact O-N 2.81Å; Y332-N334 VanDerWaalsContact C-N 3.34Å; Y332-N334 PolarHBondContact O-N 3.18Å; N334-K337 PolarHBondContact O-N 2.88Å; N334-K338 WeakPolarHBondContact O-CB 3.19Å; N334-K338 WeakPolarHBondContact O-CG 3.22Å; N334-K338 PolarHBondContact O-N 3.45Å; N334-K338 VanDerWaalsContact OD1-CE 3.31Å; N334-K338 WeakPolarHBondContact OD1-CE 3.17Å; N334-T409 HydrophobicContact CB-CG2 3.95Å
335	N	71	Confident	73.8	Confident	21 Å²	21	61 Å²	61	11%	0.112	28%	0.284	C	S	.	.	H	α-helix	trans	-70.4	-43.5	176.7	-78.3	18.5	0	0	0	112.4	I331 Y332 E333 K337 K338 N339 F342 W344	I331-N335 PolarHBondContact O-N 2.64Å; I331-N335 PolarHBondContact O-OD1 3.1Å; Y332-N335 PolarHBondContact O-N 3.18Å; E333-N335 VanDerWaalsContact C-N 3.34Å; E333-N335 PolarHBondContact O-N 3.31Å; N335-K337 VanDerWaalsContact C-N 3.32Å; N335-K337 PolarHBondContact O-N 2.91Å; N335-K338 PolarHBondContact O-N 2.82Å; N335-N339 PolarHBondContact O-N 3.31Å; N335-N339 VanDerWaalsContact O-N 3.11Å; N335-F342 PolarHBondContact ND2-O 3.48Å; N335-W344 VanDerWaalsContact CG-CD1 3.46Å; N335-W344 PolarHBondContact ND2-NE1 3.1Å; N335-W344 PolarHBondContact OD1-NE1 3.23Å
336	L	72.9	Confident	74.4	Confident	107 Å²	107	58 Å²	58	56%	0.56	27%	0.269	S	S	*	.	H	α-helix	trans	-58.5	-44.3	172.5	-68.2	174.8	0	0	0	111.2	Y332 E333 K338	Y332-L336 HydrophobicContact CD1-CD1 3.99Å; Y332-L336 HydrophobicContact CE1-CD1 3.47Å; Y332-L336 VanDerWaalsContact CE1-CD1 3.47Å; Y332-L336 HydrophobicContact CE1-CG 4.35Å; Y332-L336 PolarHBondContact O-N 3.05Å; Y332-L336 VanDerWaalsContact O-N 3.11Å; E333-L336 PolarHBondContact O-N 3.16Å; L336-K338 PolarHBondContact O-N 3.2Å
337	K	75.8	Confident	74.6	Confident	112 Å²	112	60.4 Å²	60.4	49%	0.487	28%	0.283	S	S	.	.	H	α-helix	trans	-66.3	-32.7	179.5	-74.9	168.6	-175	164.1	0	114.4	E333 N334 N335 K406	E333-K337 WeakPolarHBondContact O-CB 3.49Å; E333-K337 VanDerWaalsContact O-CG 3.28Å; E333-K337 WeakPolarHBondContact O-CG 3.35Å; E333-K337 PolarHBondContact O-N 3Å; E333-K337 WeakPolarHBondContact OE2-CE 3.44Å; E333-K337 IonicContact OE2-NZ 3.24Å; E333-K337 PolarHBondContact OE2-NZ 3.29Å; N334-K337 PolarHBondContact O-N 2.88Å; N335-K337 VanDerWaalsContact C-N 3.32Å; N335-K337 PolarHBondContact O-N 2.91Å; K337-K406 PolarHBondContact NZ-O 3.27Å
338	K	74.9	Confident	74.7	Confident	99 Å²	99	62.9 Å²	62.9	43%	0.43	30%	0.304	S	S	.	.	H	α-helix	trans	-96.8	-0.3	-177.5	-67.2	-168.7	178.4	-171.6	0	114.6	N334 N335 L336 H340	N334-K338 WeakPolarHBondContact O-CB 3.19Å; N334-K338 WeakPolarHBondContact O-CG 3.22Å; N334-K338 PolarHBondContact O-N 3.45Å; N334-K338 VanDerWaalsContact OD1-CE 3.31Å; N334-K338 WeakPolarHBondContact OD1-CE 3.17Å; N335-K338 PolarHBondContact O-N 2.82Å; L336-K338 PolarHBondContact O-N 3.2Å; K338-H340 WeakPolarHBondContact CB-NE2 3.16Å; K338-H340 WeakPolarHBondContact CD-NE2 3.46Å; K338-H340 PolarHBondContact O-N 3.05Å
339	N	69.8	Low	74.7	Confident	145 Å²	145	65.5 Å²	65.5	78%	0.775	32%	0.32	S	S	*	.	T	Hydrogen-bonded Turn	trans	50.6	41.7	-178.5	-158.9	33.1	0	0	0	112.7	N335	N335-N339 PolarHBondContact O-N 3.31Å; N335-N339 VanDerWaalsContact O-N 3.11Å
340	H	66.9	Low	74.7	Confident	73 Å²	73	65.7 Å²	65.7	34%	0.338	33%	0.328	S	S	.	.			trans	-85.5	126	-178.7	-74.3	-28.7	0	0	0	110.9	K338 F342	K338-H340 WeakPolarHBondContact CB-NE2 3.16Å; K338-H340 WeakPolarHBondContact CD-NE2 3.46Å; K338-H340 PolarHBondContact O-N 3.05Å; H340-F342 HydrophobicContact CB-CD2 3.86Å; H340-F342 HydrophobicContact CB-CE2 4.37Å; H340-F342 PolarHBondContact O-N 2.94Å
341	N	65.7	Low	74.4	Confident	138 Å²	138	69 Å²	69	74%	0.738	35%	0.348	S	S	*	.	S	Bend	trans	-74.3	13.8	175.1	-68.6	-18.4	0	0	0	113.7
342	F	71	Confident	74.2	Confident	92 Å²	92	72.1 Å²	72.1	40%	0.404	37%	0.368	S	S	.	.			trans	-119.9	140.2	-171.2	-31.2	-67.5	0	0	0	109.8	N335 H340 W344 E367	N335-F342 PolarHBondContact ND2-O 3.48Å; H340-F342 HydrophobicContact CB-CD2 3.86Å; H340-F342 HydrophobicContact CB-CE2 4.37Å; H340-F342 PolarHBondContact O-N 2.94Å; F342-W344 HydrophobicContact CB-CH2 3.8Å; F342-W344 HydrophobicContact CB-CZ2 4.06Å; F342-W344 HydrophobicContact CB-CZ3 4.27Å; F342-W344 HydrophobicContact CD2-CH2 4.12Å; F342-W344 HydrophobicContact CD2-CZ2 4.22Å; F342-W344 HydrophobicContact CG-CH2 4.3Å; F342-E367 HydrophobicContact CB-CG 4.08Å; F342-E367 WeakPolarHBondContact CD1-OE1 3.41Å
343	Y	76.3	Confident	74.4	Confident	88 Å²	88	71.3 Å²	71.3	35%	0.345	37%	0.367	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-106.2	138.4	-179.7	-57.4	-82.9	0	0	0	110.2	E367 T368 C370 P371 I372	Y343-E367 CarbonylContact O-C 3.54Å; Y343-E367 WeakPolarHBondContact O-CA 3.5Å; Y343-T368 WeakPolarHBondContact O-CG2 3.35Å; Y343-T368 PolarHBondContact O-N 3.13Å; Y343-C370 VanDerWaalsContact CB-O 3.26Å; Y343-C370 WeakPolarHBondContact CB-O 3.2Å; Y343-C370 WeakPolarHBondContact CD2-O 3.13Å; Y343-C370 VanDerWaalsContact CG-O 3.27Å; Y343-P371 HydrophobicContact CE1-CB 4.05Å; Y343-P371 HydrophobicContact CE2-CB 4.11Å; Y343-P371 HydrophobicContact CE2-CG 3.97Å; Y343-I372 HydrophobicContact CD1-CB 4.37Å
344	W	79.5	Confident	74.4	Confident	13 Å²	13	73.4 Å²	73.4	5%	0.049	38%	0.383	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-106.9	116.8	-176.9	-49.4	121.9	0	0	0	111.4	I331 N335 F342 A365 K366 E367 I372 F391	I331-W344 HydrophobicContact CG2-CB 3.88Å; I331-W344 HydrophobicContact CG2-CG 4.31Å; N335-W344 VanDerWaalsContact CG-CD1 3.46Å; N335-W344 PolarHBondContact ND2-NE1 3.1Å; N335-W344 PolarHBondContact OD1-NE1 3.23Å; F342-W344 HydrophobicContact CB-CH2 3.8Å; F342-W344 HydrophobicContact CB-CZ2 4.06Å; F342-W344 HydrophobicContact CB-CZ3 4.27Å; F342-W344 HydrophobicContact CD2-CH2 4.12Å; F342-W344 HydrophobicContact CD2-CZ2 4.22Å; F342-W344 HydrophobicContact CG-CH2 4.3Å; W344-A365 HydrophobicContact CB-CB 4.13Å; W344-K366 CarbonylContact C-O 3.57Å; W344-K366 WeakPolarHBondContact CA-O 3.49Å; W344-E367 HydrophobicContact CE3-CB 4.16Å; W344-E367 HydrophobicContact CE3-CG 4.19Å; W344-E367 HydrophobicContact CH2-CG 4.27Å; W344-E367 HydrophobicContact CZ3-CB 3.74Å; W344-E367 HydrophobicContact CZ3-CG 3.52Å; W344-I372 WeakPolarHBondContact O-CD1 3.25Å; W344-F391 HydrophobicContact CD2-CD2 4.33Å; W344-F391 AromaticContact CE3-CD2 3.83Å; W344-F391 HydrophobicContact CE3-CD2 3.83Å; W344-F391 AromaticContact CE3-CE2 3.99Å; W344-F391 HydrophobicContact CE3-CE2 3.99Å; W344-F391 AromaticContact CH2-CD2 3.84Å; W344-F391 HydrophobicContact CH2-CD2 3.84Å; W344-F391 AromaticContact CH2-CE2 3.2Å; W344-F391 HydrophobicContact CH2-CE2 3.2Å; W344-F391 AromaticContact CH2-CZ 3.79Å; W344-F391 HydrophobicContact CH2-CZ 3.79Å; W344-F391 HydrophobicContact CZ2-CD2 4.29Å; W344-F391 AromaticContact CZ2-CE2 3.91Å; W344-F391 HydrophobicContact CZ2-CE2 3.91Å; W344-F391 HydrophobicContact CZ2-CZ 4.29Å; W344-F391 AromaticContact CZ3-CD2 3.57Å; W344-F391 HydrophobicContact CZ3-CD2 3.57Å; W344-F391 AromaticContact CZ3-CE2 3.23Å; W344-F391 HydrophobicContact CZ3-CE2 3.23Å; W344-F391 HydrophobicContact CZ3-CZ 4.25Å
345	R	77.9	Confident	74.5	Confident	45 Å²	45	80.4 Å²	80.4	17%	0.17	41%	0.408	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-88.5	130.4	168.4	179.9	172	161.6	-172.1	-5.3	109.3	A365 K366 T368 I372 S379 T380 C382	R345-A365 WeakPolarHBondContact O-CA 3.26Å; R345-K366 PolarHBondContact N-O 3.04Å; R345-K366 PolarHBondContact O-N 2.98Å; R345-T368 HydrophobicContact CB-CG2 4.08Å; R345-I372 HydrophobicContact CB-CD1 4.19Å; R345-S379 WeakPolarHBondContact CD-O 3.32Å; R345-S379 PolarHBondContact NE-O 3.29Å; R345-S379 VanDerWaalsContact NE-O 3.11Å; R345-T380 PolarHBondContact NH1-O 3.33Å; R345-C382 WeakPolarHBondContact CD-O 3.36Å; R345-C382 PolarHBondContact NH1-O 3.36Å
346	V	80.8	Confident	74.9	Confident	10 Å²	10	87.2 Å²	87.2	6%	0.061	45%	0.445	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-77.3	129.3	177.5	174.7	0	0	0	0	109.9	V327 I331 T349 V363 V377 Y378	V327-V346 HydrophobicContact CG1-CG2 4.06Å; I331-V346 HydrophobicContact CD1-CG2 3.41Å; I331-V346 VanDerWaalsContact CD1-CG2 3.41Å; V346-T349 HydrophobicContact CG1-CG2 3.74Å; V346-V363 HydrophobicContact CB-CG1 4.33Å; V346-V363 HydrophobicContact CG1-CG1 3.59Å; V346-V363 HydrophobicContact CG2-CG1 3.81Å; V346-V377 HydrophobicContact CB-CG1 4.12Å; V346-V377 HydrophobicContact CG2-CG1 3.49Å; V346-V377 VanDerWaalsContact CG2-CG1 3.49Å; V346-V377 PolarHBondContact N-O 2.57Å; V346-Y378 HydrophobicContact CB-CD1 4.03Å; V346-Y378 HydrophobicContact CB-CE1 3.58Å; V346-Y378 HydrophobicContact CG1-CD1 4.23Å; V346-Y378 HydrophobicContact CG1-CE1 3.48Å; V346-Y378 VanDerWaalsContact CG1-CE1 3.48Å; V346-Y378 HydrophobicContact CG2-CE1 4.26Å
347	T	78	Confident	75.1	Confident	66 Å²	66	84.3 Å²	84.3	41%	0.405	44%	0.441	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-108.1	-25.2	-178.9	65.1	0	0	0	0	113.3	K364 K366 I384	T347-K364 WeakPolarHBondContact CA-O 3.31Å; T347-K364 PolarHBondContact N-O 3.01Å; T347-K364 PolarHBondContact OG1-O 2.81Å; T347-K366 HydrophobicContact CG2-CB 4.12Å; T347-K366 HydrophobicContact CG2-CD 4.09Å; T347-K366 HydrophobicContact CG2-CG 3.88Å; T347-I384 HydrophobicContact CG2-CD1 4.03Å
348	A	77.6	Confident	75.1	Confident	52 Å²	52	79.8 Å²	79.8	43%	0.43	42%	0.422	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-157.2	148.9	168.3	0	0	0	0	0	111	V363 K364	A348-V363 WeakPolarHBondContact O-CA 3.27Å; A348-K364 HydrophobicContact CB-CB 4.44Å; A348-K364 PolarHBondContact N-O 3.13Å; A348-K364 VanDerWaalsContact N-O 3.15Å; A348-K364 PolarHBondContact O-N 2.85Å
349	T	75.2	Confident	75.1	Confident	55 Å²	55	79.6 Å²	79.6	34%	0.337	42%	0.419	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-126.3	136.2	169.7	54	0	0	0	0	109.3	L324 V327 V346 V363 Y378	L324-T349 HydrophobicContact CD2-CG2 4.05Å; V327-T349 HydrophobicContact CG1-CG2 4.19Å; V346-T349 HydrophobicContact CG1-CG2 3.74Å; T349-V363 HydrophobicContact CG2-CG1 4.15Å; T349-V363 HydrophobicContact CG2-CG2 4.31Å; T349-Y378 HydrophobicContact CG2-CE1 4.34Å
350	N	76	Confident	75.4	Confident	114 Å²	114	74 Å²	74	61%	0.61	39%	0.388	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-137.4	137.8	169	-164.4	5	0	0	0	110	T352 K362	N350-T352 PolarHBondContact O-N 2.84Å; N350-K362 PolarHBondContact N-O 3.26Å; N350-K362 PolarHBondContact O-N 3.35Å
351	V	71.8	Confident	76	Confident	70 Å²	70	70.6 Å²	70.6	42%	0.424	37%	0.373	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-82.6	104.1	176.6	-175.4	0	0	0	0	107.4	I361	V351-I361 HydrophobicContact CG2-CG1 4.4Å
352	T	72.6	Confident	76.7	Confident	69 Å²	69	67.9 Å²	67.9	42%	0.423	35%	0.354	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-83.1	-32.5	-173.5	25.3	0	0	0	0	114.1	N350 I360 K362	N350-T352 PolarHBondContact O-N 2.84Å; T352-I360 PolarHBondContact N-O 3Å; T352-I360 PolarHBondContact OG1-O 2.81Å; T352-K362 HydrophobicContact CG2-CB 3.52Å; T352-K362 HydrophobicContact CG2-CD 3.66Å; T352-K362 HydrophobicContact CG2-CG 4.23Å; T352-K362 WeakPolarHBondContact OG1-CB 3.36Å; T352-K362 PolarHBondContact OG1-N 3.25Å
353	E	79.4	Confident	77.1	Confident	74 Å²	74	63.5 Å²	63.5	35%	0.346	34%	0.335	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-156	156.5	-175	-162	170.5	-154.6	0	0	111.9	R355 I360	E353-R355 HydrophobicContact CG-CG 4.12Å; E353-R355 IonicContact OE1-CZ 2.99Å; E353-R355 IonicContact OE1-NE 3.23Å; E353-R355 PolarHBondContact OE1-NE 3.19Å; E353-R355 IonicContact OE1-NH2 3.48Å; E353-R355 PolarHBondContact OE1-NH2 3.24Å; E353-R355 IonicContact OE2-CZ 3.17Å; E353-R355 IonicContact OE2-NE 2.75Å; E353-R355 PolarHBondContact OE2-NE 2.78Å; E353-R355 IonicContact OE2-NH2 2.74Å; E353-R355 PolarHBondContact OE2-NH2 3.47Å; E353-I360 HydrophobicContact CB-CB 4.26Å; E353-I360 HydrophobicContact CB-CD1 4.31Å; E353-I360 HydrophobicContact CB-CG1 4.35Å; E353-I360 PolarHBondContact N-O 2.85Å; E353-I360 PolarHBondContact O-N 2.88Å
354	V	76.1	Confident	77.3	Confident	88 Å²	88	62.6 Å²	62.6	53%	0.533	33%	0.333	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-132.9	119.9	166.8	-171.3	0	0	0	0	108.3	T358 R359	V354-T358 CarbonylContact C-O 3.59Å; V354-T358 WeakPolarHBondContact CA-O 3.47Å; V354-R359 HydrophobicContact CG1-CG 4.09Å; V354-R359 HydrophobicContact CG2-CG 3.98Å
355	R	76	Confident	77.3	Confident	158 Å²	158	62.1 Å²	62.1	60%	0.596	33%	0.332	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-126.4	128	174.4	-67.3	-169.8	-175	172.9	11.3	109.6	E353 G357 T358	E353-R355 HydrophobicContact CG-CG 4.12Å; E353-R355 IonicContact OE1-CZ 2.99Å; E353-R355 IonicContact OE1-NE 3.23Å; E353-R355 PolarHBondContact OE1-NE 3.19Å; E353-R355 IonicContact OE1-NH2 3.48Å; E353-R355 PolarHBondContact OE1-NH2 3.24Å; E353-R355 IonicContact OE2-CZ 3.17Å; E353-R355 IonicContact OE2-NE 2.75Å; E353-R355 PolarHBondContact OE2-NE 2.78Å; E353-R355 IonicContact OE2-NH2 2.74Å; E353-R355 PolarHBondContact OE2-NH2 3.47Å; R355-G357 PolarHBondContact O-N 2.63Å; R355-G357 VanDerWaalsContact O-N 3.12Å; R355-T358 PolarHBondContact N-O 3.27Å; R355-T358 WeakPolarHBondContact O-CA 3.46Å; R355-T358 WeakPolarHBondContact O-CB 3.42Å; R355-T358 PolarHBondContact O-N 3.36Å; R355-T358 VanDerWaalsContact O-O 3.12Å
356	N	78.6	Confident	77.4	Confident	164 Å²	164	63.1 Å²	63.1	88%	0.877	34%	0.337	S	S	*	.	T	Hydrogen-bonded Turn	trans	48.3	41.9	174.8	-58.9	-3.4	0	0	0	113.8	T358	N356-T358 PolarHBondContact O-N 2.82Å
357	G	77.8	Confident	77.3	Confident	46 Å²	46	64 Å²	64	47%	0.474	34%	0.341	S	S	.	.	T	Hydrogen-bonded Turn	trans	82.9	-29	-176.8	0	0	0	0	0	115.1	R355 R359 P399	R355-G357 PolarHBondContact O-N 2.63Å; R355-G357 VanDerWaalsContact O-N 3.12Å; G357-R359 PolarHBondContact O-N 2.84Å; G357-P399 VanDerWaalsContact O-CD 3.24Å; G357-P399 WeakPolarHBondContact O-CD 3.32Å
358	T	74.6	Confident	77.3	Confident	16 Å²	16	61.1 Å²	61.1	10%	0.098	32%	0.323	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-68.5	125.6	173.1	-55.5	0	0	0	0	110	V354 R355 N356 Q396 Y397 R398 E405	V354-T358 CarbonylContact C-O 3.59Å; V354-T358 WeakPolarHBondContact CA-O 3.47Å; R355-T358 PolarHBondContact N-O 3.27Å; R355-T358 WeakPolarHBondContact O-CA 3.46Å; R355-T358 WeakPolarHBondContact O-CB 3.42Å; R355-T358 PolarHBondContact O-N 3.36Å; R355-T358 VanDerWaalsContact O-O 3.12Å; N356-T358 PolarHBondContact O-N 2.82Å; T358-Q396 HydrophobicContact CG2-CB 4Å; T358-Y397 CarbonylContact C-O 3.56Å; T358-Y397 WeakPolarHBondContact CA-O 3.22Å; T358-R398 HydrophobicContact CG2-CG 4.49Å; T358-R398 WeakPolarHBondContact OG1-CG 3.45Å; T358-R398 PolarHBondContact OG1-NE 2.62Å; T358-R398 VanDerWaalsContact OG1-NE 3.09Å; T358-E405 PolarHBondContact OG1-OE1 3.23Å
359	R	74.9	Confident	77.1	Confident	95 Å²	95	63.1 Å²	63.1	36%	0.358	33%	0.33	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-96.8	137.4	174.1	-59.5	-175.4	171.6	171.5	-6.3	109.8	V354 G357 Q396 Y397 P399	V354-R359 HydrophobicContact CG1-CG 4.09Å; V354-R359 HydrophobicContact CG2-CG 3.98Å; G357-R359 PolarHBondContact O-N 2.84Å; R359-Q396 WeakPolarHBondContact O-CA 3.25Å; R359-Y397 HydrophobicContact CB-CD1 3.88Å; R359-Y397 HydrophobicContact CB-CE1 3.65Å; R359-Y397 HydrophobicContact CG-CE1 4.11Å; R359-Y397 PolarHBondContact N-O 3.24Å; R359-Y397 PolarHBondContact NH1-OH 3.44Å; R359-Y397 PolarHBondContact O-N 2.89Å; R359-P399 HydrophobicContact CG-CG 4.31Å
360	I	76.7	Confident	77	Confident	27 Å²	27	62.4 Å²	62.4	14%	0.138	33%	0.327	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-108	110.7	175.8	-46.6	-173	0	0	0	108.5	T352 E353 F394 Q396	T352-I360 PolarHBondContact N-O 3Å; T352-I360 PolarHBondContact OG1-O 2.81Å; E353-I360 HydrophobicContact CB-CB 4.26Å; E353-I360 HydrophobicContact CB-CD1 4.31Å; E353-I360 HydrophobicContact CB-CG1 4.35Å; E353-I360 PolarHBondContact N-O 2.85Å; E353-I360 PolarHBondContact O-N 2.88Å; I360-F394 HydrophobicContact CG2-CB 4.28Å; I360-F394 HydrophobicContact CG2-CD1 4.11Å; I360-Q396 HydrophobicContact CG1-CG 4.29Å; I360-Q396 HydrophobicContact CG2-CG 4.49Å
361	I	79.5	Confident	76.6	Confident	3 Å²	3	60.9 Å²	60.9	2%	0.015	32%	0.323	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-97	121.7	177.8	-48.2	176	0	0	0	108.8	P323 V327 V351 V363 F394 V395 Y397	P323-I361 HydrophobicContact CB-CD1 4Å; V327-I361 HydrophobicContact CG2-CB 4.05Å; V327-I361 HydrophobicContact CG2-CD1 3.72Å; V327-I361 HydrophobicContact CG2-CG1 4.48Å; V327-I361 HydrophobicContact CG2-CG2 3.85Å; V351-I361 HydrophobicContact CG2-CG1 4.4Å; I361-V363 HydrophobicContact CB-CG2 4.49Å; I361-V363 HydrophobicContact CG2-CG2 3.95Å; I361-F394 WeakPolarHBondContact O-CA 3.48Å; I361-V395 PolarHBondContact N-O 3.15Å; I361-V395 PolarHBondContact O-N 2.86Å; I361-Y397 HydrophobicContact CD1-CD1 3.97Å; I361-Y397 HydrophobicContact CD1-CE1 3.84Å; I361-Y397 HydrophobicContact CG1-CD1 4.41Å; I361-Y397 HydrophobicContact CG1-CE1 4.39Å
362	K	79.8	Confident	76.1	Confident	80 Å²	80	58.3 Å²	58.3	35%	0.348	31%	0.307	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-89.8	123.3	172	179	169	175.7	160.3	0	108.8	N350 T352 L392 F394	N350-K362 PolarHBondContact N-O 3.26Å; N350-K362 PolarHBondContact O-N 3.35Å; T352-K362 HydrophobicContact CG2-CB 3.52Å; T352-K362 HydrophobicContact CG2-CD 3.66Å; T352-K362 HydrophobicContact CG2-CG 4.23Å; T352-K362 WeakPolarHBondContact OG1-CB 3.36Å; T352-K362 PolarHBondContact OG1-N 3.25Å; K362-L392 HydrophobicContact CD-CD1 4.21Å; K362-L392 HydrophobicContact CD-CD2 4.36Å; K362-L392 VanDerWaalsContact CE-CD1 3.45Å; K362-L392 HydrophobicContact CG-CD1 3.79Å; K362-L392 HydrophobicContact CG-CD2 4.47Å; K362-L392 HydrophobicContact CG-CG 4.21Å; K362-F394 HydrophobicContact CB-CD1 4.41Å; K362-F394 HydrophobicContact CB-CE1 4.36Å; K362-F394 HydrophobicContact CD-CE1 4.16Å; K362-F394 HydrophobicContact CG-CE1 4.26Å
363	V	80.2	Confident	75.5	Confident	0 Å²	0	64.3 Å²	64.3	0%	0	32%	0.322	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-125	125.8	-170.1	-172	0	0	0	0	108.8	V327 I331 V346 A348 T349 I361 L392 C393 V395	V327-V363 HydrophobicContact CB-CG2 4.39Å; V327-V363 HydrophobicContact CG1-CB 4.36Å; V327-V363 HydrophobicContact CG1-CG1 3.82Å; V327-V363 HydrophobicContact CG1-CG2 3.63Å; V327-V363 HydrophobicContact CG2-CG2 3.78Å; I331-V363 HydrophobicContact CD1-CG1 4.09Å; V346-V363 HydrophobicContact CB-CG1 4.33Å; V346-V363 HydrophobicContact CG1-CG1 3.59Å; V346-V363 HydrophobicContact CG2-CG1 3.81Å; A348-V363 WeakPolarHBondContact O-CA 3.27Å; T349-V363 HydrophobicContact CG2-CG1 4.15Å; T349-V363 HydrophobicContact CG2-CG2 4.31Å; I361-V363 HydrophobicContact CB-CG2 4.49Å; I361-V363 HydrophobicContact CG2-CG2 3.95Å; V363-L392 WeakPolarHBondContact O-CA 3.31Å; V363-C393 HydrophobicContact CB-CB 4.22Å; V363-C393 PolarHBondContact N-O 3.49Å; V363-C393 PolarHBondContact O-N 2.86Å; V363-V395 HydrophobicContact CG2-CG2 4.31Å
364	K	80.7	Confident	74.6	Confident	70 Å²	70	63 Å²	63	30%	0.304	32%	0.319	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-94.6	111.7	166.8	-80.3	-176.1	177.9	-91.2	0	108.5	T347 A348 F391 L392 E414 E416	T347-K364 WeakPolarHBondContact CA-O 3.31Å; T347-K364 PolarHBondContact N-O 3.01Å; T347-K364 PolarHBondContact OG1-O 2.81Å; A348-K364 HydrophobicContact CB-CB 4.44Å; A348-K364 PolarHBondContact N-O 3.13Å; A348-K364 VanDerWaalsContact N-O 3.15Å; A348-K364 PolarHBondContact O-N 2.85Å; K364-F391 WeakPolarHBondContact CA-O 3.24Å; K364-L392 HydrophobicContact CG-CD1 3.84Å; K364-E414 IonicContact NZ-OE1 2.61Å; K364-E414 PolarHBondContact NZ-OE1 3.14Å; K364-E414 IonicContact NZ-OE2 3.56Å; K364-E414 PolarHBondContact NZ-OE2 2.78Å; K364-E416 IonicContact NZ-OE1 2.62Å; K364-E416 PolarHBondContact NZ-OE1 2.99Å
365	A	79.9	Confident	73.7	Confident	2 Å²	2	66 Å²	66	2%	0.017	33%	0.332	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-110.3	159.4	175.4	0	0	0	0	0	111.1	W344 R345 F391	W344-A365 HydrophobicContact CB-CB 4.13Å; R345-A365 WeakPolarHBondContact O-CA 3.26Å; A365-F391 PolarHBondContact N-O 2.87Å; A365-F391 PolarHBondContact O-N 3.45Å
366	K	79.8	Confident	73	Confident	67 Å²	67	59.9 Å²	59.9	29%	0.291	31%	0.312	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-134.2	154.9	172	-71.2	-170.8	-179.8	-171.7	0	110.9	W344 R345 T347 I384 K390	W344-K366 CarbonylContact C-O 3.57Å; W344-K366 WeakPolarHBondContact CA-O 3.49Å; R345-K366 PolarHBondContact N-O 3.04Å; R345-K366 PolarHBondContact O-N 2.98Å; T347-K366 HydrophobicContact CG2-CB 4.12Å; T347-K366 HydrophobicContact CG2-CD 4.09Å; T347-K366 HydrophobicContact CG2-CG 3.88Å; K366-I384 HydrophobicContact CB-CG2 4Å; K366-I384 HydrophobicContact CD-CD1 4.37Å; K366-I384 HydrophobicContact CD-CG2 3.47Å; K366-I384 VanDerWaalsContact CD-CG2 3.47Å; K366-I384 HydrophobicContact CG-CG2 4.44Å; K366-K390 HydrophobicContact CG-CG 4.31Å
367	E	78.8	Confident	72.1	Confident	27 Å²	27	52.2 Å²	52.2	13%	0.126	27%	0.271	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-59.7	142.7	170.8	-141.5	158.1	164.8	0	0	112.6	F342 Y343 W344 I384 D385 G388 H389	F342-E367 HydrophobicContact CB-CG 4.08Å; F342-E367 WeakPolarHBondContact CD1-OE1 3.41Å; Y343-E367 CarbonylContact O-C 3.54Å; Y343-E367 WeakPolarHBondContact O-CA 3.5Å; W344-E367 HydrophobicContact CE3-CB 4.16Å; W344-E367 HydrophobicContact CE3-CG 4.19Å; W344-E367 HydrophobicContact CH2-CG 4.27Å; W344-E367 HydrophobicContact CZ3-CB 3.74Å; W344-E367 HydrophobicContact CZ3-CG 3.52Å; E367-I384 WeakPolarHBondContact O-CA 3.12Å; E367-D385 HydrophobicContact CB-CB 4.39Å; E367-D385 PolarHBondContact O-N 2.64Å; E367-G388 VanDerWaalsContact CB-CA 3.48Å; E367-H389 PolarHBondContact N-O 2.72Å; E367-H389 IonicContact OE2-CD2 3.68Å; E367-H389 PolarHBondContact OE2-N 3.17Å
368	T	77.4	Confident	71.4	Confident	6 Å²	6	53.4 Å²	53.4	4%	0.037	26%	0.262	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-138.6	151.7	171.2	-176.6	0	0	0	0	110.6	Y343 R345 C370 I372 C382 P383	Y343-T368 WeakPolarHBondContact O-CG2 3.35Å; Y343-T368 PolarHBondContact O-N 3.13Å; R345-T368 HydrophobicContact CB-CG2 4.08Å; T368-C370 VanDerWaalsContact C-N 3.31Å; T368-C370 PolarHBondContact O-N 3.17Å; T368-I372 HydrophobicContact CG2-CD1 3.43Å; T368-I372 VanDerWaalsContact CG2-CD1 3.43Å; T368-I372 HydrophobicContact CG2-CG1 4.05Å; T368-C382 HydrophobicContact CG2-CB 4.29Å; T368-C382 WeakPolarHBondContact OG1-CB 3.34Å; T368-P383 WeakPolarHBondContact CA-O 3.33Å; T368-P383 WeakPolarHBondContact CB-O 3.48Å; T368-P383 PolarHBondContact OG1-O 2.84Å
369	T	74	Confident	70.9	Confident	95 Å²	95	53.7 Å²	53.7	58%	0.583	27%	0.265	S	S	*	.	S	Bend	trans	-83.1	-1.4	-173.9	57.3	0	0	0	0	114.3	D385	T369-D385 HydrophobicContact CG2-CB 4.46Å
370	C	71.4	Confident	70.4	Confident	39 Å²	39	54.8 Å²	54.8	26%	0.264	28%	0.282	S	S	.	.	S	Bend	trans	-109.9	140.3	-176.2	-62.8	0	0	0	0	112.6	Y343 T368 I372 C382	Y343-C370 VanDerWaalsContact CB-O 3.26Å; Y343-C370 WeakPolarHBondContact CB-O 3.2Å; Y343-C370 WeakPolarHBondContact CD2-O 3.13Å; Y343-C370 VanDerWaalsContact CG-O 3.27Å; T368-C370 VanDerWaalsContact C-N 3.31Å; T368-C370 PolarHBondContact O-N 3.17Å; C370-I372 PolarHBondContact O-N 2.85Å; C370-I372 VanDerWaalsContact O-N 3.12Å; C370-C382 HydrophobicContact CB-CB 3.92Å; C370-C382 VanDerWaalsContact CB-SG 3.58Å
371	P	68.1	Low	70.1	Confident	82 Å²	82	61 Å²	61	53%	0.532	31%	0.31	S	S	.	.			trans	-57.9	113.7	168.5	-25.2	35.3	0	0	0	112.6	Y343	Y343-P371 HydrophobicContact CE1-CB 4.05Å; Y343-P371 HydrophobicContact CE2-CB 4.11Å; Y343-P371 HydrophobicContact CE2-CG 3.97Å
372	I	60.7	Low	69.4	Low	16 Å²	16	61.3 Å²	61.3	8%	0.082	31%	0.312	C	S	.	.			trans	-88.5	118.4	179.5	-77.3	177.1	0	0	0	110.1	Y343 W344 R345 T368 C370 V376 V377	Y343-I372 HydrophobicContact CD1-CB 4.37Å; W344-I372 WeakPolarHBondContact O-CD1 3.25Å; R345-I372 HydrophobicContact CB-CD1 4.19Å; T368-I372 HydrophobicContact CG2-CD1 3.43Å; T368-I372 VanDerWaalsContact CG2-CD1 3.43Å; T368-I372 HydrophobicContact CG2-CG1 4.05Å; C370-I372 PolarHBondContact O-N 2.85Å; C370-I372 VanDerWaalsContact O-N 3.12Å; I372-V376 HydrophobicContact CG1-CG1 4.5Å; I372-V376 HydrophobicContact CG2-CB 4.43Å; I372-V377 HydrophobicContact CG2-CB 4.17Å; I372-V377 HydrophobicContact CG2-CG2 3.36Å
373	W	61.7	Low	68.9	Low	195 Å²	195	60.8 Å²	60.8	74%	0.739	32%	0.318	S	S	*	.			trans	-80.6	160.3	157.3	-62.6	81.5	0	0	0	109.5	D375 V376	W373-D375 VanDerWaalsContact C-N 3.27Å; W373-D375 PolarHBondContact O-N 2.97Å; W373-V376 HydrophobicContact CB-CG2 4.04Å; W373-V376 WeakPolarHBondContact O-CA 3.47Å; W373-V376 WeakPolarHBondContact O-CB 3.49Å; W373-V376 PolarHBondContact O-N 2.64Å
374	V	58.7	Low	68.6	Low	48 Å²	48	63.4 Å²	63.4	29%	0.291	33%	0.331	S	S	.	.	G	3₁₀ helix	trans	-53.7	-42.5	-174.3	-176.8	0	0	0	0	112.5	A328 Y332 V376 V377	A328-V374 HydrophobicContact CB-CG1 4.04Å; Y332-V374 HydrophobicContact CD1-CG2 4.35Å; Y332-V374 HydrophobicContact CG-CG2 4.25Å; V374-V376 PolarHBondContact O-N 3.06Å; V374-V376 VanDerWaalsContact O-N 3.08Å; V374-V377 PolarHBondContact O-N 3.09Å
375	D	57.4	Low	68.2	Low	151 Å²	151	62.8 Å²	62.8	81%	0.807	33%	0.331	S	S	*	.	G	3₁₀ helix	trans	-64	-12.5	177.5	-57.5	-30	0	0	0	114.1	W373	W373-D375 VanDerWaalsContact C-N 3.27Å; W373-D375 PolarHBondContact O-N 2.97Å
376	V	61.8	Low	67.4	Low	29 Å²	29	74.4 Å²	74.4	18%	0.176	37%	0.374	C	S	.	.	G	3₁₀ helix	trans	-106.9	-9	-170.1	-169.6	0	0	0	0	112.3	I372 W373 V374 Y378 S379 C382	I372-V376 HydrophobicContact CG1-CG1 4.5Å; I372-V376 HydrophobicContact CG2-CB 4.43Å; W373-V376 HydrophobicContact CB-CG2 4.04Å; W373-V376 WeakPolarHBondContact O-CA 3.47Å; W373-V376 WeakPolarHBondContact O-CB 3.49Å; W373-V376 PolarHBondContact O-N 2.64Å; V374-V376 PolarHBondContact O-N 3.06Å; V374-V376 VanDerWaalsContact O-N 3.08Å; V376-Y378 PolarHBondContact O-N 3.02Å; V376-S379 VanDerWaalsContact O-CB 3.32Å; V376-S379 WeakPolarHBondContact O-CB 3.32Å; V376-S379 PolarHBondContact O-N 3.49Å; V376-C382 WeakPolarHBondContact CG1-SG 3.28Å
377	V	60.9	Low	66.8	Low	2 Å²	2	78.1 Å²	78.1	1%	0.012	40%	0.397	C	S	.	.	T	Hydrogen-bonded Turn	trans	-55.1	-28.6	-177.8	174.7	0	0	0	0	113.5	A328 V346 I372 V374	A328-V377 HydrophobicContact CB-CB 3.75Å; A328-V377 HydrophobicContact CB-CG1 4.01Å; A328-V377 HydrophobicContact CB-CG2 3.66Å; V346-V377 HydrophobicContact CB-CG1 4.12Å; V346-V377 HydrophobicContact CG2-CG1 3.49Å; V346-V377 VanDerWaalsContact CG2-CG1 3.49Å; V346-V377 PolarHBondContact N-O 2.57Å; I372-V377 HydrophobicContact CG2-CB 4.17Å; I372-V377 HydrophobicContact CG2-CG2 3.36Å; V374-V377 PolarHBondContact O-N 3.09Å
378	Y	62.5	Low	66.1	Low	72 Å²	72	77.4 Å²	77.4	28%	0.282	40%	0.397	S	S	.	.	T	Hydrogen-bonded Turn	trans	-103.8	-3.6	177.9	-64.2	-77.9	0	0	0	114.2	L324 V327 A328 V346 T349 V376	L324-Y378 WeakPolarHBondContact CA-OH 3.41Å; L324-Y378 HydrophobicContact CB-CD2 4.44Å; L324-Y378 HydrophobicContact CB-CE1 4.48Å; L324-Y378 HydrophobicContact CB-CE2 3.71Å; L324-Y378 HydrophobicContact CD2-CE1 3.77Å; L324-Y378 WeakPolarHBondContact O-CE2 3.19Å; L324-Y378 PolarHBondContact O-OH 2.75Å; L324-Y378 VanDerWaalsContact O-OH 3.05Å; V327-Y378 WeakPolarHBondContact CB-OH 3.33Å; V327-Y378 VanDerWaalsContact CG1-OH 3.27Å; V327-Y378 WeakPolarHBondContact CG1-OH 3.38Å; A328-Y378 HydrophobicContact CB-CE2 4Å; V346-Y378 HydrophobicContact CB-CD1 4.03Å; V346-Y378 HydrophobicContact CB-CE1 3.58Å; V346-Y378 HydrophobicContact CG1-CD1 4.23Å; V346-Y378 HydrophobicContact CG1-CE1 3.48Å; V346-Y378 VanDerWaalsContact CG1-CE1 3.48Å; V346-Y378 HydrophobicContact CG2-CE1 4.26Å; T349-Y378 HydrophobicContact CG2-CE1 4.34Å; V376-Y378 PolarHBondContact O-N 3.02Å
379	S	63.5	Low	65.9	Low	22 Å²	22	83.2 Å²	83.2	15%	0.154	42%	0.424	C	S	.	.			trans	-65.8	138.5	-172.8	-174.3	0	0	0	0	111.9	R345 V376 Q381	R345-S379 WeakPolarHBondContact CD-O 3.32Å; R345-S379 PolarHBondContact NE-O 3.29Å; R345-S379 VanDerWaalsContact NE-O 3.11Å; V376-S379 VanDerWaalsContact O-CB 3.32Å; V376-S379 WeakPolarHBondContact O-CB 3.32Å; V376-S379 PolarHBondContact O-N 3.49Å; S379-Q381 PolarHBondContact O-N 3.16Å; S379-Q381 WeakPolarHBondContact OG-CB 3.45Å; S379-Q381 WeakPolarHBondContact OG-CG 3.4Å; S379-Q381 PolarHBondContact OG-N 3.14Å; S379-Q381 PolarHBondContact OG-OE1 2.68Å
380	T	65.7	Low	65.7	Low	117 Å²	117	82.6 Å²	82.6	72%	0.718	41%	0.413	S	S	*	.	T	Hydrogen-bonded Turn	trans	-71.2	-18.5	171.4	47.4	0	0	0	0	113.1	R345 C382	R345-T380 PolarHBondContact NH1-O 3.33Å; T380-C382 VanDerWaalsContact C-N 3.33Å; T380-C382 PolarHBondContact O-N 3.02Å
381	Q	70.5	Confident	65.5	Low	158 Å²	158	82.7 Å²	82.7	74%	0.738	41%	0.409	S	S	*	.	T	Hydrogen-bonded Turn	trans	-66.9	-28.2	-173.9	-63.6	162.5	-29.3	0	0	113.7	S379 P383	S379-Q381 PolarHBondContact O-N 3.16Å; S379-Q381 WeakPolarHBondContact OG-CB 3.45Å; S379-Q381 WeakPolarHBondContact OG-CG 3.4Å; S379-Q381 PolarHBondContact OG-N 3.14Å; S379-Q381 PolarHBondContact OG-OE1 2.68Å; Q381-P383 WeakPolarHBondContact O-CD 3.46Å
382	C	64.5	Low	65.8	Low	9 Å²	9	79.5 Å²	79.5	6%	0.061	39%	0.387	C	S	.	.	S	Bend	trans	-88.6	112.4	179.3	-59.6	0	0	0	0	109.8	R345 T368 C370 V376 T380 I384	R345-C382 WeakPolarHBondContact CD-O 3.36Å; R345-C382 PolarHBondContact NH1-O 3.36Å; T368-C382 HydrophobicContact CG2-CB 4.29Å; T368-C382 WeakPolarHBondContact OG1-CB 3.34Å; C370-C382 HydrophobicContact CB-CB 3.92Å; C370-C382 VanDerWaalsContact CB-SG 3.58Å; V376-C382 WeakPolarHBondContact CG1-SG 3.28Å; T380-C382 VanDerWaalsContact C-N 3.33Å; T380-C382 PolarHBondContact O-N 3.02Å; C382-I384 PolarHBondContact O-N 2.88Å
383	P	69.2	Low	66.4	Low	70 Å²	70	78.8 Å²	78.8	46%	0.455	38%	0.384	S	S	.	.	P	Polyproline II helix	trans	-69.1	132.4	-178.2	28.5	-33.7	0	0	0	110.5	T368 Q381	T368-P383 WeakPolarHBondContact CA-O 3.33Å; T368-P383 WeakPolarHBondContact CB-O 3.48Å; T368-P383 PolarHBondContact OG1-O 2.84Å; Q381-P383 WeakPolarHBondContact O-CD 3.46Å
384	I	73.6	Confident	67	Low	55 Å²	55	72.4 Å²	72.4	28%	0.282	36%	0.361	S	S	.	.	B	Isolated β-bridge	trans	-66.9	132.8	172.9	-69.8	165.5	0	0	0	108	T347 K366 E367 C382 R386	T347-I384 HydrophobicContact CG2-CD1 4.03Å; K366-I384 HydrophobicContact CB-CG2 4Å; K366-I384 HydrophobicContact CD-CD1 4.37Å; K366-I384 HydrophobicContact CD-CG2 3.47Å; K366-I384 VanDerWaalsContact CD-CG2 3.47Å; K366-I384 HydrophobicContact CG-CG2 4.44Å; E367-I384 WeakPolarHBondContact O-CA 3.12Å; C382-I384 PolarHBondContact O-N 2.88Å; I384-R386 PolarHBondContact O-N 2.85Å
385	D	72.5	Confident	67.8	Low	56 Å²	56	70.1 Å²	70.1	30%	0.299	35%	0.347	S	S	.	.	P	Polyproline II helix	trans	-63.2	132.2	172.9	-171.8	-24.8	0	0	0	109.1	E367 T369 N387 G388	E367-D385 HydrophobicContact CB-CB 4.39Å; E367-D385 PolarHBondContact O-N 2.64Å; T369-D385 HydrophobicContact CG2-CB 4.46Å; D385-N387 PolarHBondContact O-N 2.77Å; D385-N387 PolarHBondContact OD1-N 2.98Å; D385-G388 PolarHBondContact O-N 3.43Å
386	R	61.8	Low	68.6	Low	246 Å²	246	66.2 Å²	66.2	93%	0.928	32%	0.324	S	S	*	.	S	Bend	trans	-62.1	-30.2	177.7	-67.6	-174.1	176.9	-167.6	-0.3	112.2	I384	I384-R386 PolarHBondContact O-N 2.85Å
387	N	68.3	Low	69.2	Low	145 Å²	145	65.8 Å²	65.8	78%	0.775	32%	0.32	S	S	*	.	S	Bend	trans	-94.3	-8	174.8	-61.5	-27.3	0	0	0	112.6	D385 H389	D385-N387 PolarHBondContact O-N 2.77Å; D385-N387 PolarHBondContact OD1-N 2.98Å; N387-H389 PolarHBondContact O-N 3.45Å
388	G	64.7	Low	69.7	Low	12 Å²	12	70.6 Å²	70.6	12%	0.124	34%	0.337	C	S	.	.	P	Polyproline II helix	trans	-54.9	129.2	-168.3	0	0	0	0	0	113.9	E367 D385	E367-G388 VanDerWaalsContact CB-CA 3.48Å; D385-G388 PolarHBondContact O-N 3.43Å
389	H	71.8	Confident	69.8	Low	129 Å²	129	70.5 Å²	70.5	60%	0.597	35%	0.346	S	S	*	.	P	Polyproline II helix	trans	-62.1	142.9	-178.1	-73.9	-89.9	0	0	0	111.2	E367 N387 F391	E367-H389 PolarHBondContact N-O 2.72Å; E367-H389 IonicContact OE2-CD2 3.68Å; E367-H389 PolarHBondContact OE2-N 3.17Å; N387-H389 PolarHBondContact O-N 3.45Å; H389-F391 HydrophobicContact CB-CD2 4.27Å; H389-F391 HydrophobicContact CB-CE2 3.36Å; H389-F391 HydrophobicContact CB-CZ 3.72Å
390	K	70.6	Confident	70.1	Confident	81 Å²	81	73.1 Å²	73.1	35%	0.352	38%	0.376	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-89.3	131.5	173.3	-67	170.4	-169.8	154.3	0	109.1	K366 E414 E416	K366-K390 HydrophobicContact CG-CG 4.31Å; K390-E414 HydrophobicContact CB-CB 4.15Å; K390-E414 PolarHBondContact O-N 2.94Å; K390-E416 WeakPolarHBondContact CD-OE2 3.2Å; K390-E416 WeakPolarHBondContact CE-OE2 3.5Å; K390-E416 IonicContact NZ-OE2 3.43Å; K390-E416 PolarHBondContact NZ-OE2 3.04Å
391	F	68.1	Low	70.1	Confident	42 Å²	42	72.3 Å²	72.3	18%	0.184	36%	0.364	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-120.5	138.9	175.4	-67.6	-85.6	0	0	0	111	W344 K364 A365 H389 E412	W344-F391 HydrophobicContact CD2-CD2 4.33Å; W344-F391 AromaticContact CE3-CD2 3.83Å; W344-F391 HydrophobicContact CE3-CD2 3.83Å; W344-F391 AromaticContact CE3-CE2 3.99Å; W344-F391 HydrophobicContact CE3-CE2 3.99Å; W344-F391 AromaticContact CH2-CD2 3.84Å; W344-F391 HydrophobicContact CH2-CD2 3.84Å; W344-F391 AromaticContact CH2-CE2 3.2Å; W344-F391 HydrophobicContact CH2-CE2 3.2Å; W344-F391 AromaticContact CH2-CZ 3.79Å; W344-F391 HydrophobicContact CH2-CZ 3.79Å; W344-F391 HydrophobicContact CZ2-CD2 4.29Å; W344-F391 AromaticContact CZ2-CE2 3.91Å; W344-F391 HydrophobicContact CZ2-CE2 3.91Å; W344-F391 HydrophobicContact CZ2-CZ 4.29Å; W344-F391 AromaticContact CZ3-CD2 3.57Å; W344-F391 HydrophobicContact CZ3-CD2 3.57Å; W344-F391 AromaticContact CZ3-CE2 3.23Å; W344-F391 HydrophobicContact CZ3-CE2 3.23Å; W344-F391 HydrophobicContact CZ3-CZ 4.25Å; K364-F391 WeakPolarHBondContact CA-O 3.24Å; A365-F391 PolarHBondContact N-O 2.87Å; A365-F391 PolarHBondContact O-N 3.45Å; H389-F391 HydrophobicContact CB-CD2 4.27Å; H389-F391 HydrophobicContact CB-CE2 3.36Å; H389-F391 HydrophobicContact CB-CZ 3.72Å; F391-E412 WeakPolarHBondContact CA-O 3.3Å
392	L	73.5	Confident	69.4	Low	14 Å²	14	72.5 Å²	72.5	7%	0.073	37%	0.369	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-101.8	104.9	168.3	-164.5	78.6	0	0	0	108.4	K362 V363 K364 F394 C411 E412 E414	K362-L392 HydrophobicContact CD-CD1 4.21Å; K362-L392 HydrophobicContact CD-CD2 4.36Å; K362-L392 VanDerWaalsContact CE-CD1 3.45Å; K362-L392 HydrophobicContact CG-CD1 3.79Å; K362-L392 HydrophobicContact CG-CD2 4.47Å; K362-L392 HydrophobicContact CG-CG 4.21Å; V363-L392 WeakPolarHBondContact O-CA 3.31Å; K364-L392 HydrophobicContact CG-CD1 3.84Å; L392-F394 HydrophobicContact CD2-CE2 3.86Å; L392-F394 HydrophobicContact CD2-CZ 3.74Å; L392-F394 HydrophobicContact CG-CE2 4.43Å; L392-C411 WeakPolarHBondContact O-CA 3.3Å; L392-E412 PolarHBondContact N-O 3.1Å; L392-E412 PolarHBondContact O-N 2.98Å; L392-E414 HydrophobicContact CB-CG 4.24Å
393	C	73.5	Confident	69.1	Low	1 Å²	1	75.1 Å²	75.1	1%	0.007	39%	0.391	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-99	131.6	175.7	-60.5	0	0	0	0	110.5	V363 V410 C411	V363-C393 HydrophobicContact CB-CB 4.22Å; V363-C393 PolarHBondContact N-O 3.49Å; V363-C393 PolarHBondContact O-N 2.86Å; C393-V410 CarbonylContact C-O 3.55Å; C393-V410 WeakPolarHBondContact CA-O 3.24Å; C393-C411 HydrophobicContact CB-CB 4.1Å; C393-C411 WeakPolarHBondContact CB-SG 3.4Å; C393-C411 WeakPolarHBondContact SG-CB 3.28Å; C393-C411 CovalentContact SG-SG 2.04Å; C393-C411 PolarHBondContact SG-SG 3.07Å
394	F	75	Confident	68.7	Low	61 Å²	61	72.4 Å²	72.4	27%	0.268	37%	0.373	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-98.2	123.2	163.2	-60.6	-87.9	0	0	0	107.9	I360 I361 K362 L392 T409 V410	I360-F394 HydrophobicContact CG2-CB 4.28Å; I360-F394 HydrophobicContact CG2-CD1 4.11Å; I361-F394 WeakPolarHBondContact O-CA 3.48Å; K362-F394 HydrophobicContact CB-CD1 4.41Å; K362-F394 HydrophobicContact CB-CE1 4.36Å; K362-F394 HydrophobicContact CD-CE1 4.16Å; K362-F394 HydrophobicContact CG-CE1 4.26Å; L392-F394 HydrophobicContact CD2-CE2 3.86Å; L392-F394 HydrophobicContact CD2-CZ 3.74Å; L392-F394 HydrophobicContact CG-CE2 4.43Å; F394-T409 VanDerWaalsContact O-CA 3.31Å; F394-T409 WeakPolarHBondContact O-CA 3.24Å; F394-V410 PolarHBondContact N-O 3.17Å; F394-V410 PolarHBondContact O-N 3Å
395	V	75.5	Confident	68.2	Low	0 Å²	0	72.6 Å²	72.6	0%	0	37%	0.373	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-114.4	117.3	175.3	-177.2	0	0	0	0	108.5	V327 I361 V363 V404 T409	V327-V395 HydrophobicContact CG2-CB 4.35Å; V327-V395 HydrophobicContact CG2-CG2 4.3Å; I361-V395 PolarHBondContact N-O 3.15Å; I361-V395 PolarHBondContact O-N 2.86Å; V363-V395 HydrophobicContact CG2-CG2 4.31Å; V395-V404 HydrophobicContact CG1-CG1 4.26Å; V395-T409 HydrophobicContact CG2-CG2 4.23Å
396	Q	73.4	Confident	67.5	Low	69 Å²	69	77.6 Å²	77.6	32%	0.322	39%	0.392	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-92.4	129.1	174.6	-62.5	180	-14.3	0	0	110.4	T358 R359 I360 G408	T358-Q396 HydrophobicContact CG2-CB 4Å; R359-Q396 WeakPolarHBondContact O-CA 3.25Å; I360-Q396 HydrophobicContact CG1-CG 4.29Å; I360-Q396 HydrophobicContact CG2-CG 4.49Å; Q396-G408 WeakPolarHBondContact CB-O 3.3Å; Q396-G408 WeakPolarHBondContact CG-O 3.46Å; Q396-G408 PolarHBondContact N-O 2.88Å
397	Y	73.6	Confident	67.4	Low	21 Å²	21	73.2 Å²	73.2	8%	0.082	39%	0.387	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-146.5	149.4	174.4	95.3	-80.9	0	0	0	112.8	V326 T358 R359 I361 P399	V326-Y397 HydrophobicContact CG1-CD1 4.14Å; V326-Y397 HydrophobicContact CG1-CD2 4.04Å; V326-Y397 HydrophobicContact CG1-CG 3.68Å; V326-Y397 HydrophobicContact CG2-CD2 4.23Å; V326-Y397 HydrophobicContact CG2-CE2 4.37Å; T358-Y397 CarbonylContact C-O 3.56Å; T358-Y397 WeakPolarHBondContact CA-O 3.22Å; R359-Y397 HydrophobicContact CB-CD1 3.88Å; R359-Y397 HydrophobicContact CB-CE1 3.65Å; R359-Y397 HydrophobicContact CG-CE1 4.11Å; R359-Y397 PolarHBondContact N-O 3.24Å; R359-Y397 PolarHBondContact NH1-OH 3.44Å; R359-Y397 PolarHBondContact O-N 2.89Å; I361-Y397 HydrophobicContact CD1-CD1 3.97Å; I361-Y397 HydrophobicContact CD1-CE1 3.84Å; I361-Y397 HydrophobicContact CG1-CD1 4.41Å; I361-Y397 HydrophobicContact CG1-CE1 4.39Å; Y397-P399 HydrophobicContact CE2-CB 4.26Å; Y397-P399 HydrophobicContact CE2-CG 3.89Å
398	R	71.8	Confident	67.3	Low	102 Å²	102	66.6 Å²	66.6	39%	0.385	35%	0.352	S	S	.	.			trans	-100.9	125.4	168.6	-76.6	178.6	-178.8	156.7	11.4	111.1	T358 G400 E401 E405	T358-R398 HydrophobicContact CG2-CG 4.49Å; T358-R398 WeakPolarHBondContact OG1-CG 3.45Å; T358-R398 PolarHBondContact OG1-NE 2.62Å; T358-R398 VanDerWaalsContact OG1-NE 3.09Å; R398-G400 PolarHBondContact O-N 2.89Å; R398-G400 VanDerWaalsContact O-N 3.12Å; R398-E401 HydrophobicContact CB-CB 4.33Å; R398-E401 HydrophobicContact CB-CG 4.19Å; R398-E401 WeakPolarHBondContact CD-OE1 3.39Å; R398-E401 IonicContact CZ-OE1 3.88Å; R398-E401 IonicContact NE-OE1 3.94Å; R398-E401 IonicContact NH1-OE1 3.95Å; R398-E401 PolarHBondContact NH1-OE1 3.37Å; R398-E401 PolarHBondContact O-N 3.26Å; R398-E405 IonicContact CZ-OE1 3.71Å; R398-E405 IonicContact NE-OE1 3.52Å; R398-E405 IonicContact NH2-OE1 3.82Å
399	P	64.8	Low	67.4	Low	71 Å²	71	67.1 Å²	67.1	46%	0.461	35%	0.354	S	S	.	.	T	Hydrogen-bonded Turn	trans	-61	114.9	169.7	-20.5	32.5	0	0	0	110.8	G357 R359 Y397	G357-P399 VanDerWaalsContact O-CD 3.24Å; G357-P399 WeakPolarHBondContact O-CD 3.32Å; R359-P399 HydrophobicContact CG-CG 4.31Å; Y397-P399 HydrophobicContact CE2-CB 4.26Å; Y397-P399 HydrophobicContact CE2-CG 3.89Å
400	G	70.6	Confident	67.3	Low	76 Å²	76	64.6 Å²	64.6	78%	0.784	35%	0.347	S	S	*	.	T	Hydrogen-bonded Turn	trans	115.8	-21.3	178.2	0	0	0	0	0	114.4	R398	R398-G400 PolarHBondContact O-N 2.89Å; R398-G400 VanDerWaalsContact O-N 3.12Å
401	E	65.1	Low	67.2	Low	100 Å²	100	61.6 Å²	61.6	47%	0.467	34%	0.336	S	S	.	.			trans	-83.8	141.4	168.7	-67.9	177.1	-162.9	0	0	109.6	R398 A403	R398-E401 HydrophobicContact CB-CB 4.33Å; R398-E401 HydrophobicContact CB-CG 4.19Å; R398-E401 WeakPolarHBondContact CD-OE1 3.39Å; R398-E401 IonicContact CZ-OE1 3.88Å; R398-E401 IonicContact NE-OE1 3.94Å; R398-E401 IonicContact NH1-OE1 3.95Å; R398-E401 PolarHBondContact NH1-OE1 3.37Å; R398-E401 PolarHBondContact O-N 3.26Å; E401-A403 VanDerWaalsContact C-N 3.31Å; E401-A403 PolarHBondContact O-N 3.49Å
402	I	56	Low	67.2	Low	163 Å²	163	65.1 Å²	65.1	84%	0.836	35%	0.353	S	S	*	.	S	Bend	trans	-79.1	-16.8	-173.1	-59.1	173	0	0	0	111.9
403	A	58.4	Low	66.4	Low	64 Å²	64	67 Å²	67	53%	0.529	38%	0.376	S	S	.	.	S	Bend	trans	-115.3	148.5	-177.8	0	0	0	0	0	112	E401	E401-A403 VanDerWaalsContact C-N 3.31Å; E401-A403 PolarHBondContact O-N 3.49Å
404	V	61	Low	65.4	Low	13 Å²	13	69.6 Å²	69.6	8%	0.079	39%	0.388	C	S	.	.			trans	-62.7	137.7	157.4	179.5	0	0	0	0	107.6	V326 Y329 V395 K406	V326-V404 HydrophobicContact CG1-CG2 3.98Å; Y329-V404 HydrophobicContact CD1-CG2 4.21Å; V395-V404 HydrophobicContact CG1-CG1 4.26Å; V404-K406 PolarHBondContact O-N 3.26Å; V404-K406 VanDerWaalsContact O-N 3.12Å
405	E	62.4	Low	63.9	Low	59 Å²	59	71.4 Å²	71.4	28%	0.276	41%	0.414	S	S	.	.			trans	-56.3	121.9	174.8	-70.2	-174.3	-156.7	0	0	108.2	T358 R398 N407 G408	T358-E405 PolarHBondContact OG1-OE1 3.23Å; R398-E405 IonicContact CZ-OE1 3.71Å; R398-E405 IonicContact NE-OE1 3.52Å; R398-E405 IonicContact NH2-OE1 3.82Å; E405-N407 PolarHBondContact O-N 3.27Å; E405-G408 PolarHBondContact O-N 3.48Å
406	K	58.1	Low	62.3	Low	161 Å²	161	74.1 Å²	74.1	70%	0.7	43%	0.427	S	S	*	.	T	Hydrogen-bonded Turn	trans	-56.6	-21.7	-162.5	-89.3	-173.6	173.2	-178.1	0	115.7	K337 V404	K337-K406 PolarHBondContact NZ-O 3.27Å; V404-K406 PolarHBondContact O-N 3.26Å; V404-K406 VanDerWaalsContact O-N 3.12Å
407	N	59.8	Low	60.5	Low	154 Å²	154	74 Å²	74	82%	0.824	44%	0.438	S	S	*	.	T	Hydrogen-bonded Turn	trans	-109.7	-0.2	179.7	-59.6	-6.5	0	0	0	113	E405 T409	E405-N407 PolarHBondContact O-N 3.27Å; N407-T409 PolarHBondContact O-N 3.06Å
408	G	64.8	Low	58.9	Low	5 Å²	5	79.8 Å²	79.8	5%	0.052	46%	0.464	C	S	.	.			trans	-87.2	9.5	-169.2	0	0	0	0	0	116.1	Q396 E405	Q396-G408 WeakPolarHBondContact CB-O 3.3Å; Q396-G408 WeakPolarHBondContact CG-O 3.46Å; Q396-G408 PolarHBondContact N-O 2.88Å; E405-G408 PolarHBondContact O-N 3.48Å
409	T	66.8	Low	57.4	Low	24 Å²	24	81.3 Å²	81.3	15%	0.147	48%	0.484	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-109.8	113.1	173.2	-60.3	0	0	0	0	110.4	N334 F394 V395 N407	N334-T409 HydrophobicContact CB-CG2 3.95Å; F394-T409 VanDerWaalsContact O-CA 3.31Å; F394-T409 WeakPolarHBondContact O-CA 3.24Å; V395-T409 HydrophobicContact CG2-CG2 4.23Å; N407-T409 PolarHBondContact O-N 3.06Å
410	V	69.6	Low	56.2	Low	76 Å²	76	85.6 Å²	85.6	46%	0.461	50%	0.496	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-121.9	118.5	176.4	-178.9	0	0	0	0	109	C393 F394 E412	C393-V410 CarbonylContact C-O 3.55Å; C393-V410 WeakPolarHBondContact CA-O 3.24Å; F394-V410 PolarHBondContact N-O 3.17Å; F394-V410 PolarHBondContact O-N 3Å; V410-E412 HydrophobicContact CG1-CG 4.37Å
411	C	68.5	Low	54.6	Low	17 Å²	17	86 Å²	86	12%	0.115	49%	0.491	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-111	121.6	175.4	-61.6	0	0	0	0	110.8	L392 C393	L392-C411 WeakPolarHBondContact O-CA 3.3Å; C393-C411 HydrophobicContact CB-CB 4.1Å; C393-C411 WeakPolarHBondContact CB-SG 3.4Å; C393-C411 WeakPolarHBondContact SG-CB 3.28Å; C393-C411 CovalentContact SG-SG 2.04Å; C393-C411 PolarHBondContact SG-SG 3.07Å
412	E	68.1	Low	53.5	Low	116 Å²	116	89.1 Å²	89.1	54%	0.542	51%	0.511	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-108.7	144.2	176.5	-63.8	-179.4	160.1	0	0	110.3	F391 L392 V410 E414	F391-E412 WeakPolarHBondContact CA-O 3.3Å; L392-E412 PolarHBondContact N-O 3.1Å; L392-E412 PolarHBondContact O-N 2.98Å; V410-E412 HydrophobicContact CG1-CG 4.37Å; E412-E414 PolarHBondContact O-N 2.84Å
413	G	56.8	Low	52.9	Low	55 Å²	55	86.6 Å²	86.6	57%	0.567	49%	0.494	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-79.2	117.9	178.1	0	0	0	0	0	111.2	A415	G413-A415 PolarHBondContact O-N 3.32Å
414	E	53.4	Low	52.4	Low	55 Å²	55	87 Å²	87	26%	0.257	49%	0.488	S	S	.	.			trans	-77.4	90.2	176.6	-105.6	-180	165.8	0	0	110.1	K364 K390 L392 E412 E416	K364-E414 IonicContact NZ-OE1 2.61Å; K364-E414 PolarHBondContact NZ-OE1 3.14Å; K364-E414 IonicContact NZ-OE2 3.56Å; K364-E414 PolarHBondContact NZ-OE2 2.78Å; K390-E414 HydrophobicContact CB-CB 4.15Å; K390-E414 PolarHBondContact O-N 2.94Å; L392-E414 HydrophobicContact CB-CG 4.24Å; E412-E414 PolarHBondContact O-N 2.84Å; E414-E416 HydrophobicContact CB-CB 4.48Å; E414-E416 HydrophobicContact CB-CG 4.47Å; E414-E416 PolarHBondContact O-N 2.88Å
415	A	42.9	Very low	51.5	Low	99 Å²	99	89.4 Å²	89.4	82%	0.818	50%	0.503	S	S	*	.			trans	-67	75	159.6	0	0	0	0	0	108.7	G413 A417	G413-A415 PolarHBondContact O-N 3.32Å; A415-A417 PolarHBondContact O-N 2.9Å
416	E	42.3	Very low	51.2	Low	57 Å²	57	92.1 Å²	92.1	27%	0.266	52%	0.52	S	S	.	.			trans	-74	65.2	-161.6	-137.5	-172.4	-166.6	0	0	113	K364 K390 E414 K418	K364-E416 IonicContact NZ-OE1 2.62Å; K364-E416 PolarHBondContact NZ-OE1 2.99Å; K390-E416 WeakPolarHBondContact CD-OE2 3.2Å; K390-E416 WeakPolarHBondContact CE-OE2 3.5Å; K390-E416 IonicContact NZ-OE2 3.43Å; K390-E416 PolarHBondContact NZ-OE2 3.04Å; E414-E416 HydrophobicContact CB-CB 4.48Å; E414-E416 HydrophobicContact CB-CG 4.47Å; E414-E416 PolarHBondContact O-N 2.88Å; E416-K418 HydrophobicContact CG-CG 3.93Å; E416-K418 PolarHBondContact O-N 3.35Å; E416-K418 WeakPolarHBondContact OE1-CE 3.37Å; E416-K418 IonicContact OE1-NZ 2.69Å; E416-K418 WeakPolarHBondContact OE2-CE 3.23Å; E416-K418 IonicContact OE2-NZ 2.97Å
417	A	35.5	Very low	51.5	Low	67 Å²	67	89.1 Å²	89.1	55%	0.554	51%	0.509	S	S	*	.			trans	-66.2	81.7	159.5	0	0	0	0	0	108.8	A415 T419	A415-A417 PolarHBondContact O-N 2.9Å; A417-T419 PolarHBondContact O-N 3.43Å
418	K	39.1	Very low	52.1	Low	142 Å²	142	85 Å²	85	62%	0.617	48%	0.482	S	S	*	.			trans	-63.5	104.8	-176	-72.2	-163.2	174.6	-167.1	0	111.8	E416	E416-K418 HydrophobicContact CG-CG 3.93Å; E416-K418 PolarHBondContact O-N 3.35Å; E416-K418 WeakPolarHBondContact OE1-CE 3.37Å; E416-K418 IonicContact OE1-NZ 2.69Å; E416-K418 WeakPolarHBondContact OE2-CE 3.23Å; E416-K418 IonicContact OE2-NZ 2.97Å
419	T	41.4	Very low	53.2	Low	134 Å²	134	89 Å²	89	82%	0.822	50%	0.502	S	S	*	.			trans	-62.5	146.1	162	42.3	0	0	0	0	110.3	A417	A417-T419 PolarHBondContact O-N 3.43Å
420	K	39.7	Very low	54.1	Low	160 Å²	160	88.1 Å²	88.1	70%	0.696	50%	0.497	S	S	*	.	S	Bend	trans	-78.9	130.3	178.4	-63.1	-175.2	177.1	-168.2	0	110.3	Y428	K420-Y428 PolarHBondContact NZ-OH 2.85Å
421	A	37.3	Very low	55	Low	84 Å²	84	87.7 Å²	87.7	69%	0.694	49%	0.489	S	S	*	.	S	Bend	trans	-153.6	-62.5	165	0	0	0	0	0	110.9
422	D	40.6	Very low	55.9	Low	166 Å²	166	89.2 Å²	89.2	89%	0.888	50%	0.496	S	S	*	.	S	Bend	trans	-106.2	50.4	-164.7	-55.1	-57.2	0	0	0	114.9
423	K	45	Very low	56.9	Low	110 Å²	110	83.8 Å²	83.8	48%	0.478	47%	0.471	S	S	.	.			trans	-119.2	135.7	168.8	-85.4	-168.1	173.9	-166.2	0	110.5	Q427 D432	K423-Q427 PolarHBondContact NZ-O 2.91Å; K423-D432 IonicContact NZ-OD2 3.56Å; K423-D432 PolarHBondContact NZ-OD2 2.95Å
424	D	47.3	Very low	58.6	Low	73 Å²	73	81.2 Å²	81.2	39%	0.39	44%	0.444	S	S	.	.			trans	-49.1	128.1	160.7	165.1	16.5	0	0	0	109.2	N426 Q427	D424-N426 PolarHBondContact O-N 2.87Å; D424-N426 VanDerWaalsContact O-N 3.12Å; D424-N426 WeakPolarHBondContact OD1-CB 3.48Å; D424-N426 PolarHBondContact OD1-N 2.9Å; D424-N426 PolarHBondContact OD1-ND2 3.02Å; D424-Q427 HydrophobicContact CB-CB 4.07Å; D424-Q427 WeakPolarHBondContact O-CA 3.34Å; D424-Q427 VanDerWaalsContact O-CB 3.25Å; D424-Q427 WeakPolarHBondContact O-CB 3.49Å; D424-Q427 PolarHBondContact O-N 2.86Å
425	P	42.7	Very low	60.3	Low	63 Å²	63	78.6 Å²	78.6	41%	0.409	43%	0.432	S	S	.	.	G	3₁₀ helix	trans	-54.5	-29.1	178.3	-27.2	35.3	0	0	0	113.9	Q427 Y428 E514	P425-Q427 PolarHBondContact O-N 3.09Å; P425-Q427 VanDerWaalsContact O-N 3.14Å; P425-Y428 VanDerWaalsContact O-CD2 3.22Å; P425-Y428 WeakPolarHBondContact O-CD2 3.12Å; P425-E514 WeakPolarHBondContact CB-OE1 3.41Å; P425-E514 WeakPolarHBondContact CB-OE2 3.33Å
426	N	55.1	Low	62.5	Low	116 Å²	116	75.9 Å²	75.9	62%	0.62	40%	0.404	S	S	*	.	G	3₁₀ helix	trans	-74.2	4.1	174.5	-55.9	-90.5	0	0	0	113.6	D424	D424-N426 PolarHBondContact O-N 2.87Å; D424-N426 VanDerWaalsContact O-N 3.12Å; D424-N426 WeakPolarHBondContact OD1-CB 3.48Å; D424-N426 PolarHBondContact OD1-N 2.9Å; D424-N426 PolarHBondContact OD1-ND2 3.02Å
427	Q	65.7	Low	64.8	Low	99 Å²	99	73.2 Å²	73.2	46%	0.463	39%	0.391	S	S	.	.	G	3₁₀ helix	trans	-121.5	27.2	-172.4	-149.7	-177.2	28.9	0	0	114	K423 D424 P425 D429	K423-Q427 PolarHBondContact NZ-O 2.91Å; D424-Q427 HydrophobicContact CB-CB 4.07Å; D424-Q427 WeakPolarHBondContact O-CA 3.34Å; D424-Q427 VanDerWaalsContact O-CB 3.25Å; D424-Q427 WeakPolarHBondContact O-CB 3.49Å; D424-Q427 PolarHBondContact O-N 2.86Å; P425-Q427 PolarHBondContact O-N 3.09Å; P425-Q427 VanDerWaalsContact O-N 3.14Å; Q427-D429 PolarHBondContact O-N 3.27Å
428	Y	72.3	Confident	67.3	Low	67 Å²	67	70 Å²	70	26%	0.263	37%	0.365	S	S	.	.			trans	-60.8	124.2	157.6	-73.5	-69.4	0	0	0	110	K420 P425 D432 R467	K420-Y428 PolarHBondContact NZ-OH 2.85Å; P425-Y428 VanDerWaalsContact O-CD2 3.22Å; P425-Y428 WeakPolarHBondContact O-CD2 3.12Å; Y428-D432 HydrophobicContact CD1-CB 4.31Å; Y428-R467 PolarHBondContact O-NH1 3.11Å
429	D	86.8	Confident	69.7	Low	88 Å²	88	64.5 Å²	64.5	47%	0.471	34%	0.341	S	S	.	.			trans	-64.9	149.9	172.6	-168.6	-7.3	0	0	0	109.4	Q427 F431 D432 I433	Q427-D429 PolarHBondContact O-N 3.27Å; D429-F431 PolarHBondContact O-N 2.98Å; D429-F431 PolarHBondContact OD1-N 2.99Å; D429-D432 HydrophobicContact CB-CB 4.1Å; D429-D432 WeakPolarHBondContact CB-OD2 3Å; D429-D432 PolarHBondContact N-OD2 2.88Å; D429-D432 WeakPolarHBondContact O-CB 3.13Å; D429-D432 PolarHBondContact O-N 3.24Å; D429-I433 WeakPolarHBondContact O-CG1 3.37Å; D429-I433 PolarHBondContact O-N 3.3Å
430	S	87.1	Confident	71.8	Confident	6 Å²	6	63.8 Å²	63.8	4%	0.042	32%	0.324	C	S	.	.	H	α-helix	trans	-60	-28.7	171.6	-81.7	0	0	0	0	111.3	A434 E458 R467	S430-A434 VanDerWaalsContact O-CB 3.23Å; S430-A434 WeakPolarHBondContact O-CB 3Å; S430-A434 PolarHBondContact O-N 2.66Å; S430-E458 PolarHBondContact OG-OE2 2.93Å; S430-R467 PolarHBondContact OG-NH2 3Å
431	F	88.4	Confident	74	Confident	67 Å²	67	58.7 Å²	58.7	29%	0.294	30%	0.3	S	S	.	.	H	α-helix	trans	-70.6	-39	170.4	-155.4	-103	0	0	0	113.3	D429 I433 A434 A435 V453 A456 Y490	D429-F431 PolarHBondContact O-N 2.98Å; D429-F431 PolarHBondContact OD1-N 2.99Å; F431-I433 PolarHBondContact O-N 3.28Å; F431-A434 PolarHBondContact O-N 3.26Å; F431-A435 WeakPolarHBondContact O-CB 3.36Å; F431-A435 PolarHBondContact O-N 3.17Å; F431-V453 HydrophobicContact CD2-CG1 4.12Å; F431-V453 HydrophobicContact CE2-CG1 3.64Å; F431-V453 HydrophobicContact CZ-CG1 4.16Å; F431-A456 HydrophobicContact CD2-CB 3.86Å; F431-Y490 HydrophobicContact CD1-CG 4.33Å; F431-Y490 HydrophobicContact CE1-CD1 4.27Å; F431-Y490 AromaticContact CE1-CD2 3.79Å; F431-Y490 HydrophobicContact CE1-CD2 3.79Å; F431-Y490 AromaticContact CE1-CG 3.57Å; F431-Y490 HydrophobicContact CE1-CG 3.57Å; F431-Y490 HydrophobicContact CZ-CG 4.32Å
432	D	87.4	Confident	76.3	Confident	49 Å²	49	55.9 Å²	55.9	26%	0.262	27%	0.273	S	S	.	.	H	α-helix	trans	-62.2	-42.1	173.4	-73.3	-38.1	0	0	0	110.9	K423 Y428 D429 N436	K423-D432 IonicContact NZ-OD2 3.56Å; K423-D432 PolarHBondContact NZ-OD2 2.95Å; Y428-D432 HydrophobicContact CD1-CB 4.31Å; D429-D432 HydrophobicContact CB-CB 4.1Å; D429-D432 WeakPolarHBondContact CB-OD2 3Å; D429-D432 PolarHBondContact N-OD2 2.88Å; D429-D432 WeakPolarHBondContact O-CB 3.13Å; D429-D432 PolarHBondContact O-N 3.24Å; D432-N436 WeakPolarHBondContact O-CB 3.33Å; D432-N436 PolarHBondContact O-N 2.97Å; D432-N436 VanDerWaalsContact O-N 3.11Å
433	I	89.2	Confident	78.3	Confident	3 Å²	3	51.9 Å²	51.9	2%	0.015	25%	0.251	C	S	.	.	H	α-helix	trans	-68.6	-45	178.6	-62.7	164.9	0	0	0	110.3	D429 F431 A435 N436 A437 R467 I469 V507 Y509 I516	D429-I433 WeakPolarHBondContact O-CG1 3.37Å; D429-I433 PolarHBondContact O-N 3.3Å; F431-I433 PolarHBondContact O-N 3.28Å; I433-A435 PolarHBondContact O-N 3.05Å; I433-N436 PolarHBondContact O-N 3.38Å; I433-A437 WeakPolarHBondContact O-CB 3.47Å; I433-A437 PolarHBondContact O-N 3.01Å; I433-R467 VanDerWaalsContact CD1-NH1 3.3Å; I433-I469 HydrophobicContact CB-CD1 3.65Å; I433-I469 HydrophobicContact CD1-CD1 3.93Å; I433-I469 HydrophobicContact CG1-CD1 4.39Å; I433-I469 HydrophobicContact CG2-CD1 3.58Å; I433-V507 HydrophobicContact CG2-CG1 4.27Å; I433-Y509 HydrophobicContact CD1-CD1 3.81Å; I433-Y509 HydrophobicContact CD1-CD2 4.02Å; I433-Y509 HydrophobicContact CD1-CE1 4.01Å; I433-Y509 HydrophobicContact CD1-CE2 4.23Å; I433-Y509 HydrophobicContact CD1-CG 3.8Å; I433-Y509 HydrophobicContact CG1-CD2 4.14Å; I433-Y509 HydrophobicContact CG1-CE2 4.24Å; I433-Y509 HydrophobicContact CG1-CG 4.41Å; I433-Y509 HydrophobicContact CG2-CD2 3.77Å; I433-Y509 HydrophobicContact CG2-CG 4.07Å; I433-I516 HydrophobicContact CG2-CD1 4.21Å; I433-I516 HydrophobicContact CG2-CG1 4.19Å
434	A	91	Very high	79.9	Confident	0 Å²	0	53.7 Å²	53.7	0%	0	26%	0.259	C	S	.	.	H	α-helix	trans	-58.2	-46.6	176.1	0	0	0	0	0	112	S430 F431 N436 A437 I438 V453 A456 I471	S430-A434 VanDerWaalsContact O-CB 3.23Å; S430-A434 WeakPolarHBondContact O-CB 3Å; S430-A434 PolarHBondContact O-N 2.66Å; F431-A434 PolarHBondContact O-N 3.26Å; A434-N436 PolarHBondContact O-N 2.03Å; A434-A437 PolarHBondContact O-N 3.44Å; A434-I438 WeakPolarHBondContact O-CG1 3.44Å; A434-I438 PolarHBondContact O-N 2.86Å; A434-V453 HydrophobicContact CB-CG1 4.4Å; A434-V453 HydrophobicContact CB-CG2 4.28Å; A434-A456 HydrophobicContact CB-CB 3.7Å; A434-I471 HydrophobicContact CB-CD1 3.52Å; A434-I471 HydrophobicContact CB-CG1 3.65Å; A434-I471 HydrophobicContact CB-CG2 4.18Å
435	A	90.1	Very high	80.9	Confident	1 Å²	1	53.2 Å²	53.2	1%	0.008	26%	0.256	C	S	.	.	H	α-helix	trans	-59	-46	176.5	0	0	0	0	0	112.4	F431 I433 H439 V486 V489 Y490	F431-A435 WeakPolarHBondContact O-CB 3.36Å; F431-A435 PolarHBondContact O-N 3.17Å; I433-A435 PolarHBondContact O-N 3.05Å; A435-H439 WeakPolarHBondContact O-CB 3.48Å; A435-H439 PolarHBondContact O-N 3.05Å; A435-V486 HydrophobicContact CB-CG1 4.17Å; A435-V489 HydrophobicContact CB-CG1 4.43Å; A435-Y490 HydrophobicContact CB-CD1 3.46Å; A435-Y490 VanDerWaalsContact CB-CD1 3.46Å; A435-Y490 HydrophobicContact CB-CE1 3.66Å
436	N	88.9	Confident	82.1	Confident	42 Å²	42	54.1 Å²	54.1	23%	0.225	28%	0.277	C	S	.	.	H	α-helix	trans	-63.7	-40	176.6	-174.7	9.7	0	0	0	111.8	D432 I433 A434 R440 I516	D432-N436 WeakPolarHBondContact O-CB 3.33Å; D432-N436 PolarHBondContact O-N 2.97Å; D432-N436 VanDerWaalsContact O-N 3.11Å; I433-N436 PolarHBondContact O-N 3.38Å; A434-N436 PolarHBondContact O-N 2.03Å; N436-R440 WeakPolarHBondContact O-CB 3.11Å; N436-R440 WeakPolarHBondContact O-CD 3.3Å; N436-R440 WeakPolarHBondContact O-CG 3.39Å; N436-R440 PolarHBondContact O-N 3.38Å; N436-R440 PolarHBondContact OD1-NE 2.8Å; N436-I516 HydrophobicContact CB-CD1 4.24Å
437	A	89.8	Confident	82.8	Confident	1 Å²	1	51.4 Å²	51.4	1%	0.008	26%	0.262	C	S	.	.	H	α-helix	trans	-66.3	-46.3	178.3	0	0	0	0	0	113	I433 A434 R440 R441 I471 V507 I516 T521	I433-A437 WeakPolarHBondContact O-CB 3.47Å; I433-A437 PolarHBondContact O-N 3.01Å; A434-A437 PolarHBondContact O-N 3.44Å; A437-R440 PolarHBondContact O-N 2.7Å; A437-R441 PolarHBondContact O-N 2.86Å; A437-R441 VanDerWaalsContact O-N 3.09Å; A437-I471 HydrophobicContact CB-CD1 4.49Å; A437-V507 HydrophobicContact CB-CB 4.34Å; A437-V507 HydrophobicContact CB-CG1 3.9Å; A437-V507 HydrophobicContact CB-CG2 3.54Å; A437-I516 HydrophobicContact CB-CD1 3.88Å; A437-T521 HydrophobicContact CB-CG2 4.5Å
438	I	89.6	Confident	83.2	Confident	0 Å²	0	51 Å²	51	0%	0	27%	0.268	C	S	.	.	H	α-helix	trans	-71.3	-36.9	177.4	-61.7	-58.7	0	0	0	111	A434 R440 R441 N442 W451 V453 I471 A473 V489 C505	A434-I438 WeakPolarHBondContact O-CG1 3.44Å; A434-I438 PolarHBondContact O-N 2.86Å; I438-R440 PolarHBondContact O-N 2.92Å; I438-R441 WeakPolarHBondContact O-CA 3.42Å; I438-R441 WeakPolarHBondContact O-CB 3.3Å; I438-R441 PolarHBondContact O-N 2.92Å; I438-N442 VanDerWaalsContact O-CG 3.24Å; I438-N442 PolarHBondContact O-N 2.88Å; I438-N442 PolarHBondContact O-OD1 2.96Å; I438-W451 HydrophobicContact CG2-CB 3.94Å; I438-W451 WeakPolarHBondContact CG2-O 3.29Å; I438-V453 HydrophobicContact CB-CG2 4.11Å; I438-V453 HydrophobicContact CG1-CG2 3.73Å; I438-I471 HydrophobicContact CD1-CD1 4.48Å; I438-I471 HydrophobicContact CD1-CG2 4.48Å; I438-I471 HydrophobicContact CG1-CD1 4.31Å; I438-I471 HydrophobicContact CG1-CG2 4.16Å; I438-A473 HydrophobicContact CD1-CB 4.47Å; I438-V489 HydrophobicContact CB-CG1 3.7Å; I438-V489 HydrophobicContact CG2-CG1 3.65Å; I438-C505 HydrophobicContact CD1-CB 4.23Å; I438-C505 VanDerWaalsContact CD1-SG 3.51Å
439	H	88.6	Confident	83.5	Confident	25 Å²	25	51.2 Å²	51.2	12%	0.116	27%	0.271	C	S	.	.	H	α-helix	trans	-57.5	-49	171.5	-179.9	60.7	0	0	0	111.9	A435 R441 N442 L443 Y450 V484 V486 V489	A435-H439 WeakPolarHBondContact O-CB 3.48Å; A435-H439 PolarHBondContact O-N 3.05Å; H439-R441 PolarHBondContact O-N 3.06Å; H439-N442 PolarHBondContact O-N 3.04Å; H439-L443 VanDerWaalsContact NE2-CD1 3.33Å; H439-L443 WeakPolarHBondContact NE2-CD1 3.05Å; H439-L443 PolarHBondContact O-N 3.47Å; H439-Y450 PolarHBondContact ND1-OH 3.45Å; H439-V484 PolarHBondContact CE1-O 3.48Å; H439-V486 HydrophobicContact CB-CG1 4.43Å; H439-V486 HydrophobicContact CB-CG2 4.3Å; H439-V486 VanDerWaalsContact CD2-CG2 3.44Å; H439-V486 WeakPolarHBondContact CD2-CG2 3.2Å; H439-V489 HydrophobicContact CB-CG2 3.76Å
440	R	85.9	Confident	83.5	Confident	120 Å²	120	47.3 Å²	47.3	45%	0.453	25%	0.25	S	C	.	.	H	α-helix	trans	-60.7	-28.4	175.1	-72.9	169.7	-178.7	-144	-8	112.9	N436 A437 I438 K444	N436-R440 WeakPolarHBondContact O-CB 3.11Å; N436-R440 WeakPolarHBondContact O-CD 3.3Å; N436-R440 WeakPolarHBondContact O-CG 3.39Å; N436-R440 PolarHBondContact O-N 3.38Å; N436-R440 PolarHBondContact OD1-NE 2.8Å; A437-R440 PolarHBondContact O-N 2.7Å; I438-R440 PolarHBondContact O-N 2.92Å; R440-K444 WeakPolarHBondContact O-CB 3.38Å; R440-K444 WeakPolarHBondContact O-CG 3.45Å; R440-K444 PolarHBondContact O-N 2.92Å
441	R	84.5	Confident	83.6	Confident	53 Å²	53	47.4 Å²	47.4	20%	0.2	25%	0.249	C	C	.	.	H	α-helix	trans	-72.8	-51.3	173.6	-173	179.5	173.9	89.9	8.9	111	A437 I438 H439 L443 K444 I445 W451 C523	A437-R441 PolarHBondContact O-N 2.86Å; A437-R441 VanDerWaalsContact O-N 3.09Å; I438-R441 WeakPolarHBondContact O-CA 3.42Å; I438-R441 WeakPolarHBondContact O-CB 3.3Å; I438-R441 PolarHBondContact O-N 2.92Å; H439-R441 PolarHBondContact O-N 3.06Å; R441-L443 PolarHBondContact O-N 2.8Å; R441-K444 PolarHBondContact O-N 2.88Å; R441-I445 HydrophobicContact CG-CD1 3.55Å; R441-I445 HydrophobicContact CG-CG1 4.15Å; R441-I445 VanDerWaalsContact NH2-CD1 3.33Å; R441-I445 PolarHBondContact O-N 2.94Å; R441-W451 VanDerWaalsContact NE-CH2 3.28Å; R441-W451 VanDerWaalsContact NH2-CH2 3.35Å; R441-C523 VanDerWaalsContact CD-SG 3.52Å
442	N	85.9	Confident	83.6	Confident	25 Å²	25	46.5 Å²	46.5	13%	0.134	24%	0.244	C	C	.	.	H	α-helix	trans	-59.8	-30.1	179	-62	-3.6	0	0	0	112.8	I438 H439 Y450 W451	I438-N442 VanDerWaalsContact O-CG 3.24Å; I438-N442 PolarHBondContact O-N 2.88Å; I438-N442 PolarHBondContact O-OD1 2.96Å; H439-N442 PolarHBondContact O-N 3.04Å; N442-Y450 HydrophobicContact CB-CD2 3.63Å; N442-Y450 HydrophobicContact CB-CE2 3.47Å; N442-Y450 VanDerWaalsContact CB-CE2 3.47Å; N442-Y450 HydrophobicContact CB-CG 4.42Å; N442-Y450 WeakPolarHBondContact ND2-CD1 3.37Å; N442-Y450 WeakPolarHBondContact ND2-CD2 3.25Å; N442-Y450 VanDerWaalsContact ND2-CE1 3.35Å; N442-Y450 WeakPolarHBondContact ND2-CE1 3.24Å; N442-Y450 VanDerWaalsContact ND2-CE2 3.33Å; N442-Y450 WeakPolarHBondContact ND2-CE2 3.31Å; N442-Y450 VanDerWaalsContact ND2-CZ 3.31Å; N442-W451 PolarHBondContact ND2-N 2.86Å; N442-W451 VanDerWaalsContact ND2-N 3.15Å; N442-W451 PolarHBondContact ND2-O 2.94Å; N442-W451 PolarHBondContact OD1-N 2.93Å
443	L	83.3	Confident	83.9	Confident	82 Å²	82	44.3 Å²	44.3	43%	0.429	23%	0.232	S	C	.	.	T	Hydrogen-bonded Turn	trans	-77	-21.3	172.7	-71.6	-176.9	0	0	0	114.5	H439 R441	H439-L443 VanDerWaalsContact NE2-CD1 3.33Å; H439-L443 WeakPolarHBondContact NE2-CD1 3.05Å; H439-L443 PolarHBondContact O-N 3.47Å; R441-L443 PolarHBondContact O-N 2.8Å
444	K	78.9	Confident	84	Confident	147 Å²	147	46.5 Å²	46.5	64%	0.639	25%	0.246	S	C	*	.	T	Hydrogen-bonded Turn	trans	-96.2	-36.3	-174.4	-86.4	-173	173.1	-168	0	113.9	R440 R441	R440-K444 WeakPolarHBondContact O-CB 3.38Å; R440-K444 WeakPolarHBondContact O-CG 3.45Å; R440-K444 PolarHBondContact O-N 2.92Å; R441-K444 PolarHBondContact O-N 2.88Å
445	I	67.8	Low	84	Confident	63 Å²	63	51.3 Å²	51.3	32%	0.323	27%	0.268	S	S	.	.			trans	-94.8	137	-173.2	-45.2	-179.3	0	0	0	109.8	R441 D447	R441-I445 HydrophobicContact CG-CD1 3.55Å; R441-I445 HydrophobicContact CG-CG1 4.15Å; R441-I445 VanDerWaalsContact NH2-CD1 3.33Å; R441-I445 PolarHBondContact O-N 2.94Å; I445-D447 HydrophobicContact CB-CB 4.44Å; I445-D447 HydrophobicContact CG2-CB 4.09Å; I445-D447 VanDerWaalsContact CG2-CG 3.4Å; I445-D447 WeakPolarHBondContact CG2-OD2 3.43Å; I445-D447 PolarHBondContact O-N 2.88Å
446	G	67.8	Low	84	Confident	83 Å²	83	52.6 Å²	52.6	86%	0.856	28%	0.279	S	S	*	.			trans	-74.7	28	168.5	0	0	0	0	0	113.9
447	D	71.2	Confident	83.9	Confident	58 Å²	58	55.3 Å²	55.3	31%	0.31	29%	0.293	S	S	.	.			trans	-65.8	136.6	174.2	-78.1	-26	0	0	0	108.2	I445 F449 T480	I445-D447 HydrophobicContact CB-CB 4.44Å; I445-D447 HydrophobicContact CG2-CB 4.09Å; I445-D447 VanDerWaalsContact CG2-CG 3.4Å; I445-D447 WeakPolarHBondContact CG2-OD2 3.43Å; I445-D447 PolarHBondContact O-N 2.88Å; D447-F449 PolarHBondContact O-N 2.94Å; D447-F449 VanDerWaalsContact O-N 3.12Å; D447-T480 VanDerWaalsContact O-CG2 3.25Å; D447-T480 WeakPolarHBondContact O-CG2 3.4Å
448	P	73.2	Confident	83.7	Confident	90 Å²	90	58.4 Å²	58.4	58%	0.584	31%	0.307	S	S	*	.	S	Bend	trans	-73.1	-1.6	-176.9	29.2	-35.2	0	0	0	114.2
449	F	78.4	Confident	83.1	Confident	73 Å²	73	61.5 Å²	61.5	32%	0.32	32%	0.323	S	S	.	.	S	Bend	trans	-120.7	130.9	-176	-53.7	-66.7	0	0	0	111.1	D447 W451 E475	D447-F449 PolarHBondContact O-N 2.94Å; D447-F449 VanDerWaalsContact O-N 3.12Å; F449-W451 VanDerWaalsContact O-CD1 3.25Å; F449-E475 HydrophobicContact CB-CB 4.18Å; F449-E475 HydrophobicContact CB-CG 4Å; F449-E475 HydrophobicContact CD2-CG 4.31Å; F449-E475 WeakPolarHBondContact CD2-OE1 3.28Å; F449-E475 HydrophobicContact CG-CB 4.4Å; F449-E475 HydrophobicContact CG-CG 4.2Å
450	Y	86.1	Confident	82.1	Confident	6 Å²	6	66.8 Å²	66.8	2%	0.024	35%	0.351	C	S	.	.			trans	-78	129.4	168.1	-163.8	-96.4	0	0	0	109.5	H439 N442 T476 C478 V484 V489	H439-Y450 PolarHBondContact ND1-OH 3.45Å; N442-Y450 HydrophobicContact CB-CD2 3.63Å; N442-Y450 HydrophobicContact CB-CE2 3.47Å; N442-Y450 VanDerWaalsContact CB-CE2 3.47Å; N442-Y450 HydrophobicContact CB-CG 4.42Å; N442-Y450 WeakPolarHBondContact ND2-CD1 3.37Å; N442-Y450 WeakPolarHBondContact ND2-CD2 3.25Å; N442-Y450 VanDerWaalsContact ND2-CE1 3.35Å; N442-Y450 WeakPolarHBondContact ND2-CE1 3.24Å; N442-Y450 VanDerWaalsContact ND2-CE2 3.33Å; N442-Y450 WeakPolarHBondContact ND2-CE2 3.31Å; N442-Y450 VanDerWaalsContact ND2-CZ 3.31Å; Y450-T476 WeakPolarHBondContact O-CB 3.48Å; Y450-T476 PolarHBondContact O-N 3.33Å; Y450-T476 PolarHBondContact O-OG1 3.38Å; Y450-C478 WeakPolarHBondContact CB-O 3.16Å; Y450-C478 HydrophobicContact CD1-CB 4.47Å; Y450-C478 HydrophobicContact CG-CB 4.42Å; Y450-V484 HydrophobicContact CE1-CG1 3.81Å; Y450-V484 HydrophobicContact CE2-CB 3.94Å; Y450-V484 HydrophobicContact CE2-CG1 3.88Å; Y450-V484 HydrophobicContact CE2-CG2 4.4Å; Y450-V484 VanDerWaalsContact OH-CG1 3.31Å; Y450-V484 WeakPolarHBondContact OH-CG1 3.17Å; Y450-V489 HydrophobicContact CE1-CG2 3.74Å; Y450-V489 WeakPolarHBondContact OH-CG2 3.36Å
451	W	89.1	Confident	81.3	Confident	7 Å²	7	64 Å²	64	3%	0.027	35%	0.345	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-94.4	140.3	-178.3	-58.3	6.6	0	0	0	111.4	I438 R441 N442 F449 F503 C523	I438-W451 HydrophobicContact CG2-CB 3.94Å; I438-W451 WeakPolarHBondContact CG2-O 3.29Å; R441-W451 VanDerWaalsContact NE-CH2 3.28Å; R441-W451 VanDerWaalsContact NH2-CH2 3.35Å; N442-W451 PolarHBondContact ND2-N 2.86Å; N442-W451 VanDerWaalsContact ND2-N 3.15Å; N442-W451 PolarHBondContact ND2-O 2.94Å; N442-W451 PolarHBondContact OD1-N 2.93Å; F449-W451 VanDerWaalsContact O-CD1 3.25Å; W451-F503 HydrophobicContact CD2-CD2 4.4Å; W451-F503 HydrophobicContact CE3-CD2 4.38Å; W451-F503 HydrophobicContact CE3-CG 4.37Å; W451-F503 AromaticContact CH2-CD1 3.62Å; W451-F503 HydrophobicContact CH2-CD1 3.62Å; W451-F503 HydrophobicContact CH2-CD2 4.27Å; W451-F503 AromaticContact CH2-CE1 3.75Å; W451-F503 HydrophobicContact CH2-CE1 3.75Å; W451-F503 HydrophobicContact CH2-CE2 4.37Å; W451-F503 AromaticContact CH2-CG 3.9Å; W451-F503 HydrophobicContact CH2-CG 3.9Å; W451-F503 HydrophobicContact CH2-CZ 4.13Å; W451-F503 HydrophobicContact CZ2-CD1 4.16Å; W451-F503 HydrophobicContact CZ2-CD2 4.33Å; W451-F503 AromaticContact CZ2-CE1 3.87Å; W451-F503 HydrophobicContact CZ2-CE1 3.87Å; W451-F503 HydrophobicContact CZ2-CE2 4.04Å; W451-F503 HydrophobicContact CZ2-CG 4.39Å; W451-F503 AromaticContact CZ2-CZ 3.81Å; W451-F503 HydrophobicContact CZ2-CZ 3.81Å; W451-F503 HydrophobicContact CZ3-CB 4.12Å; W451-F503 HydrophobicContact CZ3-CD1 4.02Å; W451-F503 HydrophobicContact CZ3-CD2 4.29Å; W451-F503 AromaticContact CZ3-CG 3.89Å; W451-F503 HydrophobicContact CZ3-CG 3.89Å; W451-C523 HydrophobicContact CH2-CB 4.13Å; W451-C523 HydrophobicContact CZ3-CB 3.67Å
452	R	90.1	Very high	79.7	Confident	49 Å²	49	67.9 Å²	67.9	19%	0.185	38%	0.38	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-115.7	134.8	176.3	163.6	170.4	166.9	-152.1	-12.2	110.7	T454 A473 E474 T476 V489 Y490 C494	R452-T454 PolarHBondContact O-N 2.88Å; R452-A473 CarbonylContact O-C 3.47Å; R452-A473 WeakPolarHBondContact O-CA 3.31Å; R452-E474 PolarHBondContact N-O 3.35Å; R452-E474 PolarHBondContact O-N 3.06Å; R452-T476 HydrophobicContact CB-CG2 3.33Å; R452-T476 HydrophobicContact CG-CG2 4.38Å; R452-V489 CarbonylContact C-O 3.57Å; R452-V489 VanDerWaalsContact CA-O 3.29Å; R452-V489 WeakPolarHBondContact CA-O 3.45Å; R452-V489 WeakPolarHBondContact CG-O 3.48Å; R452-Y490 PolarHBondContact NE-O 3.25Å; R452-C494 WeakPolarHBondContact CD-O 3.34Å; R452-C494 PolarHBondContact NH1-O 3.44Å
453	V	92.7	Very high	78.7	Confident	2 Å²	2	69.9 Å²	69.9	1%	0.012	40%	0.396	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-66.8	123.9	169	175.5	0	0	0	0	108.9	F431 A434 I438 E455 A456 I471 V489	F431-V453 HydrophobicContact CD2-CG1 4.12Å; F431-V453 HydrophobicContact CE2-CG1 3.64Å; F431-V453 HydrophobicContact CZ-CG1 4.16Å; A434-V453 HydrophobicContact CB-CG1 4.4Å; A434-V453 HydrophobicContact CB-CG2 4.28Å; I438-V453 HydrophobicContact CB-CG2 4.11Å; I438-V453 HydrophobicContact CG1-CG2 3.73Å; V453-E455 WeakPolarHBondContact CG1-O 3.07Å; V453-A456 HydrophobicContact CG1-CB 4.48Å; V453-I471 HydrophobicContact CB-CG2 4.42Å; V453-I471 HydrophobicContact CG1-CG2 4.04Å; V453-I471 HydrophobicContact CG2-CG2 3.77Å; V453-V489 HydrophobicContact CG2-CG1 3.82Å; V453-V489 PolarHBondContact N-O 2.95Å
454	T	91.3	Very high	78	Confident	50 Å²	50	75.8 Å²	75.8	31%	0.307	42%	0.418	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-105.9	-21	171.8	56	0	0	0	0	112.2	R452 T472 E474 I496	R452-T454 PolarHBondContact O-N 2.88Å; T454-T472 PolarHBondContact N-O 2.75Å; T454-T472 WeakPolarHBondContact OG1-CG2 3.09Å; T454-T472 PolarHBondContact OG1-O 2.85Å; T454-E474 HydrophobicContact CG2-CB 4.14Å; T454-E474 HydrophobicContact CG2-CG 4.27Å; T454-E474 PolarHBondContact OG1-OE1 2.82Å; T454-I496 HydrophobicContact CG2-CD1 3.69Å
455	E	90.5	Very high	77.8	Confident	101 Å²	101	75.6 Å²	75.6	47%	0.472	42%	0.417	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-152.9	146.8	178	-160.1	-174.8	178.4	0	0	110	V453 I471 T472	V453-E455 WeakPolarHBondContact CG1-O 3.07Å; E455-I471 WeakPolarHBondContact O-CA 3.43Å; E455-T472 PolarHBondContact N-O 3.41Å; E455-T472 PolarHBondContact O-N 3.24Å; E455-T472 PolarHBondContact OE2-OG1 2.88Å
456	A	90.3	Very high	78.4	Confident	28 Å²	28	72.9 Å²	72.9	23%	0.231	41%	0.405	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-140.3	117.8	166.9	0	0	0	0	0	109.7	F431 A434 V453 I469 K470	F431-A456 HydrophobicContact CD2-CB 3.86Å; A434-A456 HydrophobicContact CB-CB 3.7Å; V453-A456 HydrophobicContact CG1-CB 4.48Å; A456-I469 HydrophobicContact CB-CG2 4.15Å; A456-K470 CarbonylContact C-O 3.59Å; A456-K470 WeakPolarHBondContact CA-O 3.31Å
457	L	87.1	Confident	79.2	Confident	98 Å²	98	70.9 Å²	70.9	51%	0.513	37%	0.372	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-113.9	125.5	-178.6	179.1	64.7	0	0	0	109.7	K470	L457-K470 PolarHBondContact N-O 3.23Å; L457-K470 PolarHBondContact O-N 2.04Å
458	E	84.7	Confident	79.9	Confident	66 Å²	66	70.3 Å²	70.3	31%	0.308	37%	0.369	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-82.5	123.5	176.7	-169.7	164.9	173	0	0	111.4	S430 L460 R467	S430-E458 PolarHBondContact OG-OE2 2.93Å; E458-L460 HydrophobicContact CG-CD2 4.3Å; E458-R467 WeakPolarHBondContact OE1-CG 3.3Å; E458-R467 IonicContact OE1-CZ 2.66Å; E458-R467 IonicContact OE1-NE 2.78Å; E458-R467 PolarHBondContact OE1-NE 2.62Å; E458-R467 IonicContact OE1-NH2 3.63Å; E458-R467 IonicContact OE2-CZ 2.77Å; E458-R467 IonicContact OE2-NE 3.53Å; E458-R467 PolarHBondContact OE2-NE 2.84Å; E458-R467 IonicContact OE2-NH2 3.04Å; E458-R467 PolarHBondContact OE2-NH2 3.31Å
459	I	78.4	Confident	80.6	Confident	66 Å²	66	66 Å²	66	34%	0.338	34%	0.341	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-102	99.3	171.8	-56.1	176.6	0	0	0	106.5	L461 L468 K470 F506	I459-L461 PolarHBondContact O-N 2.94Å; I459-L468 WeakPolarHBondContact CA-O 3.28Å; I459-L468 HydrophobicContact CB-CB 4.33Å; I459-L468 HydrophobicContact CB-CD2 4.45Å; I459-L468 HydrophobicContact CB-CG 4.47Å; I459-L468 WeakPolarHBondContact CB-O 3.44Å; I459-L468 HydrophobicContact CD1-CD2 4.48Å; I459-L468 HydrophobicContact CG2-CD2 4.45Å; I459-L468 PolarHBondContact N-O 3.06Å; I459-L468 PolarHBondContact O-N 3.47Å; I459-K470 HydrophobicContact CD1-CB 4Å; I459-F506 HydrophobicContact CD1-CE1 4.44Å
460	L	67.8	Low	81.1	Confident	136 Å²	136	64.1 Å²	64.1	71%	0.712	33%	0.332	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-61	121.3	178.5	-68	173.8	0	0	0	110.3	E458	E458-L460 HydrophobicContact CG-CD2 4.3Å
461	L	67.7	Low	81.4	Confident	61 Å²	61	63.8 Å²	63.8	32%	0.319	33%	0.331	S	S	.	.			trans	-83.7	145.3	172	-60.5	179.2	0	0	0	109.7	I459 S463 L468 Y508	I459-L461 PolarHBondContact O-N 2.94Å; L461-S463 PolarHBondContact O-N 2.97Å; L461-S463 VanDerWaalsContact O-N 3.13Å; L461-L468 HydrophobicContact CD1-CB 4.12Å; L461-L468 HydrophobicContact CD2-CB 3.92Å; L461-L468 HydrophobicContact CD2-CD2 4.29Å; L461-L468 HydrophobicContact CG-CB 3.99Å; L461-Y508 HydrophobicContact CD1-CD2 3.93Å; L461-Y508 HydrophobicContact CD1-CE2 3.61Å
462	S	51.3	Low	81.5	Confident	134 Å²	134	63.6 Å²	63.6	94%	0.937	33%	0.331	S	S	*	.	S	Bend	trans	-57.9	-27.5	179.6	-177.4	0	0	0	0	113
463	S	65.4	Low	81.6	Confident	67 Å²	67	61.3 Å²	61.3	47%	0.469	32%	0.322	S	S	.	.	S	Bend	trans	-90.2	126.9	173.3	51.8	0	0	0	0	112.2	L461 K465	L461-S463 PolarHBondContact O-N 2.97Å; L461-S463 VanDerWaalsContact O-N 3.13Å; S463-K465 PolarHBondContact O-N 3.01Å
464	K	68.1	Low	81.6	Confident	207 Å²	207	62.7 Å²	62.7	90%	0.9	33%	0.329	S	S	*	.	T	Hydrogen-bonded Turn	trans	-60.4	4.6	174.9	-62.1	-174.4	176.8	-176.2	0	115.7	T511	K464-T511 PolarHBondContact O-OG1 2.83Å
465	K	75.7	Confident	81.6	Confident	142 Å²	142	60.7 Å²	60.7	62%	0.617	32%	0.316	S	S	*	.	T	Hydrogen-bonded Turn	trans	-98.2	1.8	-173.3	-64.8	-167.2	174.8	-169.6	0	114.3	S463 Y508 D510 T511	S463-K465 PolarHBondContact O-N 3.01Å; K465-Y508 PolarHBondContact O-OH 3.45Å; K465-D510 VanDerWaalsContact O-OD1 3.1Å; K465-T511 WeakPolarHBondContact CA-OG1 3.47Å; K465-T511 PolarHBondContact O-N 3.13Å; K465-T511 PolarHBondContact O-OG1 2.91Å
466	G	80.1	Confident	81.5	Confident	7 Å²	7	56 Å²	56	7%	0.072	29%	0.294	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-167.3	155.3	176	0	0	0	0	0	113.8	Y509 T511	G466-Y509 CarbonylContact C-O 3.25Å; G466-Y509 VanDerWaalsContact CA-O 3.23Å; G466-Y509 WeakPolarHBondContact CA-O 3.46Å; G466-T511 PolarHBondContact N-OG1 2.92Å
467	R	84.6	Confident	81.3	Confident	40 Å²	40	58.6 Å²	58.6	15%	0.151	31%	0.307	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-116.1	125.2	176	-60.2	164.9	75.6	-168.6	2.4	107.4	Y428 S430 I433 E458 Y509 T511	Y428-R467 PolarHBondContact O-NH1 3.11Å; S430-R467 PolarHBondContact OG-NH2 3Å; I433-R467 VanDerWaalsContact CD1-NH1 3.3Å; E458-R467 WeakPolarHBondContact OE1-CG 3.3Å; E458-R467 IonicContact OE1-CZ 2.66Å; E458-R467 IonicContact OE1-NE 2.78Å; E458-R467 PolarHBondContact OE1-NE 2.62Å; E458-R467 IonicContact OE1-NH2 3.63Å; E458-R467 IonicContact OE2-CZ 2.77Å; E458-R467 IonicContact OE2-NE 3.53Å; E458-R467 PolarHBondContact OE2-NE 2.84Å; E458-R467 IonicContact OE2-NH2 3.04Å; E458-R467 PolarHBondContact OE2-NH2 3.31Å; R467-Y509 PolarHBondContact N-O 2.83Å; R467-Y509 PolarHBondContact O-N 3.48Å; R467-T511 HydrophobicContact CG-CG2 3.8Å
468	L	85.3	Confident	81	Confident	46 Å²	46	55.2 Å²	55.2	24%	0.241	29%	0.291	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-97.3	122.6	170.6	-179.6	65.6	0	0	0	107.9	I459 L461 F506	I459-L468 WeakPolarHBondContact CA-O 3.28Å; I459-L468 HydrophobicContact CB-CB 4.33Å; I459-L468 HydrophobicContact CB-CD2 4.45Å; I459-L468 HydrophobicContact CB-CG 4.47Å; I459-L468 WeakPolarHBondContact CB-O 3.44Å; I459-L468 HydrophobicContact CD1-CD2 4.48Å; I459-L468 HydrophobicContact CG2-CD2 4.45Å; I459-L468 PolarHBondContact N-O 3.06Å; I459-L468 PolarHBondContact O-N 3.47Å; L461-L468 HydrophobicContact CD1-CB 4.12Å; L461-L468 HydrophobicContact CD2-CB 3.92Å; L461-L468 HydrophobicContact CD2-CD2 4.29Å; L461-L468 HydrophobicContact CG-CB 3.99Å; L468-F506 HydrophobicContact CD1-CB 4.29Å
469	I	87.4	Confident	80.2	Confident	0 Å²	0	56.7 Å²	56.7	0%	0	31%	0.309	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-114	119.9	-178.1	-56.7	168.6	0	0	0	107.9	I433 A456 I471 F506 V507	I433-I469 HydrophobicContact CB-CD1 3.65Å; I433-I469 HydrophobicContact CD1-CD1 3.93Å; I433-I469 HydrophobicContact CG1-CD1 4.39Å; I433-I469 HydrophobicContact CG2-CD1 3.58Å; A456-I469 HydrophobicContact CB-CG2 4.15Å; I469-I471 HydrophobicContact CG2-CG1 3.9Å; I469-F506 WeakPolarHBondContact O-CA 3.21Å; I469-V507 PolarHBondContact N-O 3.12Å; I469-V507 PolarHBondContact O-N 3.09Å
470	K	89	Confident	79.7	Confident	33 Å²	33	57.6 Å²	57.6	14%	0.143	32%	0.317	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-80.7	127.4	164.8	-179.1	-176.9	177.4	-179.3	0	107.5	A456 L457 I459 E504 C505 F506	A456-K470 CarbonylContact C-O 3.59Å; A456-K470 WeakPolarHBondContact CA-O 3.31Å; L457-K470 PolarHBondContact N-O 3.23Å; L457-K470 PolarHBondContact O-N 2.04Å; I459-K470 HydrophobicContact CD1-CB 4Å; K470-E504 WeakPolarHBondContact CE-OE1 3.39Å; K470-E504 WeakPolarHBondContact CE-OE2 3.21Å; K470-E504 IonicContact NZ-OE1 3.88Å; K470-E504 PolarHBondContact NZ-OE1 3.24Å; K470-E504 IonicContact NZ-OE2 3.81Å; K470-E504 PolarHBondContact NZ-OE2 3.32Å; K470-C505 CarbonylContact C-O 3.54Å; K470-C505 WeakPolarHBondContact CA-O 3.21Å; K470-F506 HydrophobicContact CB-CD1 4.27Å; K470-F506 HydrophobicContact CB-CE1 3.96Å; K470-F506 HydrophobicContact CD-CE1 4.28Å; K470-F506 HydrophobicContact CD-CZ 4.41Å; K470-F506 HydrophobicContact CG-CD1 4.5Å; K470-F506 HydrophobicContact CG-CE1 3.88Å; K470-F506 HydrophobicContact CG-CZ 4.21Å
471	I	91.7	Very high	79.4	Confident	0 Å²	0	52.5 Å²	52.5	0%	0	30%	0.298	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-119.4	130.8	-178.6	-53.5	172.8	0	0	0	107.6	A434 A437 I438 V453 E455 I469 E504 C505 V507	A434-I471 HydrophobicContact CB-CD1 3.52Å; A434-I471 HydrophobicContact CB-CG1 3.65Å; A434-I471 HydrophobicContact CB-CG2 4.18Å; A437-I471 HydrophobicContact CB-CD1 4.49Å; I438-I471 HydrophobicContact CD1-CD1 4.48Å; I438-I471 HydrophobicContact CD1-CG2 4.48Å; I438-I471 HydrophobicContact CG1-CD1 4.31Å; I438-I471 HydrophobicContact CG1-CG2 4.16Å; V453-I471 HydrophobicContact CB-CG2 4.42Å; V453-I471 HydrophobicContact CG1-CG2 4.04Å; V453-I471 HydrophobicContact CG2-CG2 3.77Å; E455-I471 WeakPolarHBondContact O-CA 3.43Å; I469-I471 HydrophobicContact CG2-CG1 3.9Å; I471-E504 CarbonylContact O-C 3.55Å; I471-E504 VanDerWaalsContact O-CA 3.29Å; I471-E504 WeakPolarHBondContact O-CA 3.46Å; I471-C505 HydrophobicContact CB-CB 4.15Å; I471-C505 PolarHBondContact N-O 2.74Å; I471-C505 PolarHBondContact O-N 2.69Å; I471-V507 HydrophobicContact CD1-CB 4.03Å; I471-V507 HydrophobicContact CD1-CG2 3.4Å; I471-V507 VanDerWaalsContact CD1-CG2 3.4Å; I471-V507 HydrophobicContact CG1-CG2 4.49Å
472	T	91.9	Very high	79.2	Confident	3 Å²	3	60.3 Å²	60.3	2%	0.018	32%	0.323	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-95.5	126.3	164.8	-53.2	0	0	0	0	107.7	T454 E455 K502	T454-T472 PolarHBondContact N-O 2.75Å; T454-T472 WeakPolarHBondContact OG1-CG2 3.09Å; T454-T472 PolarHBondContact OG1-O 2.85Å; E455-T472 PolarHBondContact N-O 3.41Å; E455-T472 PolarHBondContact O-N 3.24Å; E455-T472 PolarHBondContact OE2-OG1 2.88Å; T472-K502 HydrophobicContact CG2-CD 4.25Å; T472-K502 HydrophobicContact CG2-CG 3.97Å
473	A	92.3	Very high	80.1	Confident	0 Å²	0	60.2 Å²	60.2	0%	0	32%	0.317	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-133.5	144.4	-179.2	0	0	0	0	0	111.8	I438 R452 F503	I438-A473 HydrophobicContact CD1-CB 4.47Å; R452-A473 CarbonylContact O-C 3.47Å; R452-A473 WeakPolarHBondContact O-CA 3.31Å; A473-F503 PolarHBondContact N-O 3.21Å; A473-F503 PolarHBondContact O-N 3.06Å
474	E	92.4	Very high	80.4	Confident	32 Å²	32	58 Å²	58	15%	0.15	30%	0.301	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-132.4	147.6	-175	-75.1	157.5	-136.7	0	0	111	R452 T454 I496 A500 K502	R452-E474 PolarHBondContact N-O 3.35Å; R452-E474 PolarHBondContact O-N 3.06Å; T454-E474 HydrophobicContact CG2-CB 4.14Å; T454-E474 HydrophobicContact CG2-CG 4.27Å; T454-E474 PolarHBondContact OG1-OE1 2.82Å; E474-I496 HydrophobicContact CB-CG2 4.11Å; E474-A500 HydrophobicContact CB-CB 4.41Å; E474-K502 HydrophobicContact CG-CB 4.14Å; E474-K502 HydrophobicContact CG-CG 3.92Å; E474-K502 IonicContact OE1-NZ 2.59Å; E474-K502 PolarHBondContact OE1-NZ 2.93Å
475	E	91.4	Very high	81.1	Confident	7 Å²	7	51.1 Å²	51.1	3%	0.033	28%	0.277	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-65.1	139.6	178.3	-67.6	169.3	154.1	0	0	111.6	F449 Y497 A500 K501 F503	F449-E475 HydrophobicContact CB-CB 4.18Å; F449-E475 HydrophobicContact CB-CG 4Å; F449-E475 HydrophobicContact CD2-CG 4.31Å; F449-E475 WeakPolarHBondContact CD2-OE1 3.28Å; F449-E475 HydrophobicContact CG-CB 4.4Å; F449-E475 HydrophobicContact CG-CG 4.2Å; E475-Y497 PolarHBondContact O-N 3.22Å; E475-A500 HydrophobicContact CB-CB 3.94Å; E475-A500 VanDerWaalsContact O-CB 3.29Å; E475-A500 WeakPolarHBondContact O-CB 3.21Å; E475-K501 HydrophobicContact CG-CB 4.39Å; E475-K501 PolarHBondContact N-O 3.24Å; E475-K501 IonicContact OE1-NZ 3.5Å; E475-K501 PolarHBondContact OE1-NZ 3.18Å; E475-K501 VanDerWaalsContact OE2-CB 3.31Å; E475-K501 WeakPolarHBondContact OE2-CB 3.14Å; E475-K501 WeakPolarHBondContact OE2-CG 3.32Å; E475-K501 PolarHBondContact OE2-N 2.83Å; E475-K501 IonicContact OE2-NZ 2.69Å; E475-K501 PolarHBondContact OE2-NZ 3.3Å; E475-F503 HydrophobicContact CG-CE2 3.92Å
476	T	89.3	Confident	81.4	Confident	3 Å²	3	47 Å²	47	2%	0.018	26%	0.264	C	S	.	.	B	Isolated β-bridge	trans	-116.5	163	178.4	66.9	0	0	0	0	112.8	Y450 R452 C478 C494 P495	Y450-T476 WeakPolarHBondContact O-CB 3.48Å; Y450-T476 PolarHBondContact O-N 3.33Å; Y450-T476 PolarHBondContact O-OG1 3.38Å; R452-T476 HydrophobicContact CB-CG2 3.33Å; R452-T476 HydrophobicContact CG-CG2 4.38Å; T476-C478 PolarHBondContact O-N 2.88Å; T476-C494 HydrophobicContact CG2-CB 3.91Å; T476-P495 CarbonylContact C-O 3.56Å; T476-P495 WeakPolarHBondContact CA-O 3.14Å; T476-P495 WeakPolarHBondContact CB-O 3.46Å
477	T	84.7	Confident	81.4	Confident	83 Å²	83	47.9 Å²	47.9	51%	0.509	27%	0.268	S	S	.	.	S	Bend	trans	-74.9	-4.4	173.3	58.6	0	0	0	0	113.8	S479 P495 Y497	T477-S479 PolarHBondContact O-N 2.78Å; T477-P495 PolarHBondContact N-O 3.39Å; T477-P495 PolarHBondContact OG1-O 3.2Å; T477-Y497 HydrophobicContact CG2-CD2 4.2Å
478	C	81.4	Confident	81.2	Confident	26 Å²	26	50.4 Å²	50.4	18%	0.176	28%	0.278	C	S	.	.			trans	-67.1	125.4	176.7	-86.5	0	0	0	0	111.2	Y450 T476 C494	Y450-C478 WeakPolarHBondContact CB-O 3.16Å; Y450-C478 HydrophobicContact CD1-CB 4.47Å; Y450-C478 HydrophobicContact CG-CB 4.42Å; T476-C478 PolarHBondContact O-N 2.88Å; C478-C494 HydrophobicContact CB-CB 3.87Å; C478-C494 WeakPolarHBondContact CB-SG 3.01Å; C478-C494 WeakPolarHBondContact SG-CA 3.42Å; C478-C494 WeakPolarHBondContact SG-CB 3.47Å; C478-C494 CovalentContact SG-SG 2.04Å; C478-C494 PolarHBondContact SG-SG 3.11Å
479	S	69	Low	80.8	Confident	98 Å²	98	48.2 Å²	48.2	69%	0.685	27%	0.267	S	S	*	.			trans	-66.7	157.3	172.4	57.5	0	0	0	0	111.7	T477 G481	T477-S479 PolarHBondContact O-N 2.78Å; S479-G481 PolarHBondContact O-N 2.88Å
480	T	66.1	Low	80.5	Confident	84 Å²	84	51.2 Å²	51.2	52%	0.515	28%	0.279	S	S	.	.			trans	-79	47.4	-168.7	47	0	0	0	0	114	D447 R482	D447-T480 VanDerWaalsContact O-CG2 3.25Å; D447-T480 WeakPolarHBondContact O-CG2 3.4Å; T480-R482 PolarHBondContact O-N 3.04Å
481	G	62.3	Low	80.1	Confident	30 Å²	30	52 Å²	52	31%	0.309	29%	0.286	S	S	.	.			trans	-67.3	126.6	174.1	0	0	0	0	0	112.1	S479 T483 V484	S479-G481 PolarHBondContact O-N 2.88Å; G481-T483 PolarHBondContact O-N 3.18Å; G481-V484 WeakPolarHBondContact O-CG2 3.42Å; G481-V484 PolarHBondContact O-N 2.88Å
482	R	64.5	Low	79.5	Confident	224 Å²	224	56.7 Å²	56.7	85%	0.845	32%	0.319	S	S	*	.	T	Hydrogen-bonded Turn	trans	-67.4	1.3	178	-69.2	-176.3	174.6	178.6	-1	115	T480	T480-R482 PolarHBondContact O-N 3.04Å
483	T	69.2	Low	79.1	Confident	132 Å²	132	59 Å²	59	81%	0.81	34%	0.338	S	S	*	.	T	Hydrogen-bonded Turn	trans	-111.4	3.4	-173.6	48.9	0	0	0	0	113.9	G481 P485	G481-T483 PolarHBondContact O-N 3.18Å; T483-P485 WeakPolarHBondContact O-CD 3.17Å
484	V	72.6	Confident	78.7	Confident	21 Å²	21	59 Å²	59	13%	0.127	34%	0.338	C	S	.	.			trans	-66.7	124.3	-179.5	178	0	0	0	0	110.9	H439 Y450 G481 Y488	H439-V484 PolarHBondContact CE1-O 3.48Å; Y450-V484 HydrophobicContact CE1-CG1 3.81Å; Y450-V484 HydrophobicContact CE2-CB 3.94Å; Y450-V484 HydrophobicContact CE2-CG1 3.88Å; Y450-V484 HydrophobicContact CE2-CG2 4.4Å; Y450-V484 VanDerWaalsContact OH-CG1 3.31Å; Y450-V484 WeakPolarHBondContact OH-CG1 3.17Å; G481-V484 WeakPolarHBondContact O-CG2 3.42Å; G481-V484 PolarHBondContact O-N 2.88Å; V484-Y488 HydrophobicContact CG1-CD1 3.86Å; V484-Y488 HydrophobicContact CG1-CG 3.77Å
485	P	81.4	Confident	78.4	Confident	62 Å²	62	60.7 Å²	60.7	40%	0.403	35%	0.352	S	S	.	.			trans	-64.6	155.5	179.3	-24.3	34.4	0	0	0	114.5	T483 T487 Y488	T483-P485 WeakPolarHBondContact O-CD 3.17Å; P485-T487 PolarHBondContact O-N 3.48Å; P485-T487 VanDerWaalsContact O-N 3.11Å; P485-Y488 HydrophobicContact CB-CD2 3.98Å; P485-Y488 HydrophobicContact CB-CE2 4.33Å; P485-Y488 HydrophobicContact CG-CD2 3.92Å; P485-Y488 HydrophobicContact CG-CE2 3.84Å; P485-Y488 WeakPolarHBondContact O-CB 3.21Å; P485-Y488 PolarHBondContact O-N 3.16Å
486	V	82	Confident	78.3	Confident	56 Å²	56	63.2 Å²	63.2	34%	0.339	37%	0.365	S	S	.	.	G	3₁₀ helix	trans	-52.5	-35.4	174.4	179.6	0	0	0	0	112.2	A435 H439 Y488 V489	A435-V486 HydrophobicContact CB-CG1 4.17Å; H439-V486 HydrophobicContact CB-CG1 4.43Å; H439-V486 HydrophobicContact CB-CG2 4.3Å; H439-V486 VanDerWaalsContact CD2-CG2 3.44Å; H439-V486 WeakPolarHBondContact CD2-CG2 3.2Å; V486-Y488 VanDerWaalsContact C-N 3.26Å; V486-Y488 PolarHBondContact O-N 3Å; V486-V489 VanDerWaalsContact O-CB 3.32Å; V486-V489 WeakPolarHBondContact O-CB 3.3Å; V486-V489 PolarHBondContact O-N 3.06Å
487	T	80.6	Confident	78.2	Confident	26 Å²	26	68.7 Å²	68.7	16%	0.16	39%	0.386	C	S	.	.	G	3₁₀ helix	trans	-61	-32.1	179.9	52.9	0	0	0	0	113.2	P485 V489 Y490 T491	P485-T487 PolarHBondContact O-N 3.48Å; P485-T487 VanDerWaalsContact O-N 3.11Å; T487-V489 PolarHBondContact O-N 3.19Å; T487-Y490 PolarHBondContact O-N 2.87Å; T487-Y490 VanDerWaalsContact O-N 3.12Å; T487-T491 WeakPolarHBondContact O-CG2 3.47Å; T487-T491 PolarHBondContact O-N 2.8Å; T487-T491 PolarHBondContact O-OG1 2.86Å
488	Y	79.8	Confident	78.3	Confident	92 Å²	92	72.2 Å²	72.2	36%	0.361	40%	0.402	S	S	.	.	G	3₁₀ helix	trans	-67.5	-17.6	-179	-78.4	-130.8	0	0	0	112.4	V484 P485 V486 Y490 T491 A493	V484-Y488 HydrophobicContact CG1-CD1 3.86Å; V484-Y488 HydrophobicContact CG1-CG 3.77Å; P485-Y488 HydrophobicContact CB-CD2 3.98Å; P485-Y488 HydrophobicContact CB-CE2 4.33Å; P485-Y488 HydrophobicContact CG-CD2 3.92Å; P485-Y488 HydrophobicContact CG-CE2 3.84Å; P485-Y488 WeakPolarHBondContact O-CB 3.21Å; P485-Y488 PolarHBondContact O-N 3.16Å; V486-Y488 VanDerWaalsContact C-N 3.26Å; V486-Y488 PolarHBondContact O-N 3Å; Y488-Y490 PolarHBondContact O-N 3.45Å; Y488-T491 WeakPolarHBondContact CA-OG1 3.49Å; Y488-A493 HydrophobicContact CD1-CB 3.85Å; Y488-A493 HydrophobicContact CE1-CB 3.84Å; Y488-A493 HydrophobicContact CG-CB 4.21Å
489	V	78.6	Confident	78.8	Confident	0 Å²	0	74.5 Å²	74.5	0%	0	43%	0.43	C	S	.	.	G	3₁₀ helix	trans	-68.6	-10.7	174.5	179.3	0	0	0	0	112.7	A435 I438 H439 Y450 R452 V453 V486 T487	A435-V489 HydrophobicContact CB-CG1 4.43Å; I438-V489 HydrophobicContact CB-CG1 3.7Å; I438-V489 HydrophobicContact CG2-CG1 3.65Å; H439-V489 HydrophobicContact CB-CG2 3.76Å; Y450-V489 HydrophobicContact CE1-CG2 3.74Å; Y450-V489 WeakPolarHBondContact OH-CG2 3.36Å; R452-V489 CarbonylContact C-O 3.57Å; R452-V489 VanDerWaalsContact CA-O 3.29Å; R452-V489 WeakPolarHBondContact CA-O 3.45Å; R452-V489 WeakPolarHBondContact CG-O 3.48Å; V453-V489 HydrophobicContact CG2-CG1 3.82Å; V453-V489 PolarHBondContact N-O 2.95Å; V486-V489 VanDerWaalsContact O-CB 3.32Å; V486-V489 WeakPolarHBondContact O-CB 3.3Å; V486-V489 PolarHBondContact O-N 3.06Å; T487-V489 PolarHBondContact O-N 3.19Å
490	Y	80	Confident	79.8	Confident	64 Å²	64	71 Å²	71	25%	0.251	41%	0.407	S	S	.	.	T	Hydrogen-bonded Turn	trans	-136.1	-25.5	175.4	54.1	-93	0	0	0	115.3	F431 A435 R452 T487 Y488	F431-Y490 HydrophobicContact CD1-CG 4.33Å; F431-Y490 HydrophobicContact CE1-CD1 4.27Å; F431-Y490 AromaticContact CE1-CD2 3.79Å; F431-Y490 HydrophobicContact CE1-CD2 3.79Å; F431-Y490 AromaticContact CE1-CG 3.57Å; F431-Y490 HydrophobicContact CE1-CG 3.57Å; F431-Y490 HydrophobicContact CZ-CG 4.32Å; A435-Y490 HydrophobicContact CB-CD1 3.46Å; A435-Y490 VanDerWaalsContact CB-CD1 3.46Å; A435-Y490 HydrophobicContact CB-CE1 3.66Å; R452-Y490 PolarHBondContact NE-O 3.25Å; T487-Y490 PolarHBondContact O-N 2.87Å; T487-Y490 VanDerWaalsContact O-N 3.12Å; Y488-Y490 PolarHBondContact O-N 3.45Å
491	T	80	Confident	80.9	Confident	48 Å²	48	71.2 Å²	71.2	29%	0.294	40%	0.401	S	S	.	.	S	Bend	trans	-66.4	159	175.4	60.3	0	0	0	0	112.4	T487 Y488 A493	T487-T491 WeakPolarHBondContact O-CG2 3.47Å; T487-T491 PolarHBondContact O-N 2.8Å; T487-T491 PolarHBondContact O-OG1 2.86Å; Y488-T491 WeakPolarHBondContact CA-OG1 3.49Å; T491-A493 PolarHBondContact O-N 2.78Å; T491-A493 VanDerWaalsContact O-N 3.11Å; T491-A493 WeakPolarHBondContact OG1-CB 3.42Å
492	S	80.9	Confident	82.3	Confident	100 Å²	100	74.2 Å²	74.2	70%	0.699	41%	0.405	S	S	*	.	T	Hydrogen-bonded Turn	trans	-64	-5.9	170.3	46.1	0	0	0	0	115.1	C494	S492-C494 CarbonylContact O-C 3.52Å; S492-C494 PolarHBondContact O-N 3.41Å; S492-C494 VanDerWaalsContact O-N 3.15Å
493	A	82.6	Confident	83.4	Confident	51 Å²	51	64.6 Å²	64.6	42%	0.421	37%	0.369	S	S	.	.	T	Hydrogen-bonded Turn	trans	-59.1	-23.4	177.1	0	0	0	0	0	113.7	Y488 T491	Y488-A493 HydrophobicContact CD1-CB 3.85Å; Y488-A493 HydrophobicContact CE1-CB 3.84Å; Y488-A493 HydrophobicContact CG-CB 4.21Å; T491-A493 PolarHBondContact O-N 2.78Å; T491-A493 VanDerWaalsContact O-N 3.11Å; T491-A493 WeakPolarHBondContact OG1-CB 3.42Å
494	C	82.9	Confident	84.3	Confident	0 Å²	0	59 Å²	59	0%	0	33%	0.334	C	S	.	.	S	Bend	trans	-109.6	103.5	163	-68.5	0	0	0	0	109.5	R452 T476 C478 S492	R452-C494 WeakPolarHBondContact CD-O 3.34Å; R452-C494 PolarHBondContact NH1-O 3.44Å; T476-C494 HydrophobicContact CG2-CB 3.91Å; C478-C494 HydrophobicContact CB-CB 3.87Å; C478-C494 WeakPolarHBondContact CB-SG 3.01Å; C478-C494 WeakPolarHBondContact SG-CA 3.42Å; C478-C494 WeakPolarHBondContact SG-CB 3.47Å; C478-C494 CovalentContact SG-SG 2.04Å; C478-C494 PolarHBondContact SG-SG 3.11Å; S492-C494 CarbonylContact O-C 3.52Å; S492-C494 PolarHBondContact O-N 3.41Å; S492-C494 VanDerWaalsContact O-N 3.15Å
495	P	86.4	Confident	85.1	Confident	68 Å²	68	58 Å²	58	44%	0.442	33%	0.328	S	S	.	.	P	Polyproline II helix	trans	-59.8	139.6	171.4	-22.8	33.5	0	0	0	111.2	T476 T477	T476-P495 CarbonylContact C-O 3.56Å; T476-P495 WeakPolarHBondContact CA-O 3.14Å; T476-P495 WeakPolarHBondContact CB-O 3.46Å; T477-P495 PolarHBondContact N-O 3.39Å; T477-P495 PolarHBondContact OG1-O 3.2Å
496	I	89.5	Confident	85.4	Confident	60 Å²	60	58.2 Å²	58.2	31%	0.308	32%	0.323	S	S	.	.	B	Isolated β-bridge	trans	-68.2	139.3	171.7	-63.9	162.4	0	0	0	107.6	T454 E474 A500	T454-I496 HydrophobicContact CG2-CD1 3.69Å; E474-I496 HydrophobicContact CB-CG2 4.11Å; I496-A500 HydrophobicContact CG2-CB 3.61Å
497	Y	87.4	Confident	85.7	Confident	117 Å²	117	55.6 Å²	55.6	46%	0.459	31%	0.307	S	S	.	.	P	Polyproline II helix	trans	-72.6	142	-179.5	173.5	-109.8	0	0	0	111	E475 T477 G499 A500	E475-Y497 PolarHBondContact O-N 3.22Å; T477-Y497 HydrophobicContact CG2-CD2 4.2Å; Y497-G499 PolarHBondContact O-N 3.17Å; Y497-G499 VanDerWaalsContact O-N 3.16Å; Y497-A500 WeakPolarHBondContact O-CB 3.42Å; Y497-A500 PolarHBondContact O-N 3.07Å
498	D	88.1	Confident	85.9	Confident	158 Å²	158	58.1 Å²	58.1	85%	0.845	31%	0.314	S	S	*	.	T	Hydrogen-bonded Turn	trans	-66.9	115.6	175.3	-85.6	-40.3	0	0	0	110.2
499	G	90.2	Very high	86.3	Confident	74 Å²	74	54.4 Å²	54.4	76%	0.763	30%	0.299	S	S	*	.	T	Hydrogen-bonded Turn	trans	81.9	16.9	-169.5	0	0	0	0	0	114.6	Y497 K501	Y497-G499 PolarHBondContact O-N 3.17Å; Y497-G499 VanDerWaalsContact O-N 3.16Å; G499-K501 PolarHBondContact O-N 2.84Å
500	A	89.8	Confident	86.6	Confident	23 Å²	23	55.9 Å²	55.9	19%	0.19	31%	0.308	C	S	.	.			trans	-45.3	133.1	173	0	0	0	0	0	112.8	E474 E475 I496 Y497 K502	E474-A500 HydrophobicContact CB-CB 4.41Å; E475-A500 HydrophobicContact CB-CB 3.94Å; E475-A500 VanDerWaalsContact O-CB 3.29Å; E475-A500 WeakPolarHBondContact O-CB 3.21Å; I496-A500 HydrophobicContact CG2-CB 3.61Å; Y497-A500 WeakPolarHBondContact O-CB 3.42Å; Y497-A500 PolarHBondContact O-N 3.07Å; A500-K502 PolarHBondContact O-N 2.78Å
501	K	90.6	Very high	86.8	Confident	89 Å²	89	55 Å²	55	39%	0.387	31%	0.309	S	S	.	.			trans	-68.9	132.3	170.8	-66.1	177.4	-133.4	67.8	0	109.6	E475 G499 F503 L525	E475-K501 HydrophobicContact CG-CB 4.39Å; E475-K501 PolarHBondContact N-O 3.24Å; E475-K501 IonicContact OE1-NZ 3.5Å; E475-K501 PolarHBondContact OE1-NZ 3.18Å; E475-K501 VanDerWaalsContact OE2-CB 3.31Å; E475-K501 WeakPolarHBondContact OE2-CB 3.14Å; E475-K501 WeakPolarHBondContact OE2-CG 3.32Å; E475-K501 PolarHBondContact OE2-N 2.83Å; E475-K501 IonicContact OE2-NZ 2.69Å; E475-K501 PolarHBondContact OE2-NZ 3.3Å; G499-K501 PolarHBondContact O-N 2.84Å; K501-F503 HydrophobicContact CB-CD2 4.4Å; K501-F503 HydrophobicContact CB-CE2 3.63Å; K501-F503 HydrophobicContact CB-CZ 3.96Å; K501-F503 HydrophobicContact CD-CZ 4.46Å; K501-F503 WeakPolarHBondContact O-CD2 3.5Å; K501-F503 WeakPolarHBondContact O-CE2 3.44Å; K501-L525 HydrophobicContact CB-CD1 3.73Å; K501-L525 HydrophobicContact CD-CD1 3.9Å; K501-L525 HydrophobicContact CG-CD1 4.1Å
502	K	90.3	Very high	87.1	Confident	93 Å²	93	57.5 Å²	57.5	40%	0.404	32%	0.324	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-91.3	124.9	173.7	-163.2	177.1	-174.9	84.8	0	109.4	T472 E474 A500 Y526	T472-K502 HydrophobicContact CG2-CD 4.25Å; T472-K502 HydrophobicContact CG2-CG 3.97Å; E474-K502 HydrophobicContact CG-CB 4.14Å; E474-K502 HydrophobicContact CG-CG 3.92Å; E474-K502 IonicContact OE1-NZ 2.59Å; E474-K502 PolarHBondContact OE1-NZ 2.93Å; A500-K502 PolarHBondContact O-N 2.78Å; K502-Y526 WeakPolarHBondContact O-CB 3.4Å; K502-Y526 PolarHBondContact O-N 3.09Å; K502-Y526 VanDerWaalsContact O-N 3.1Å
503	F	88.7	Confident	87.4	Confident	22 Å²	22	56 Å²	56	10%	0.096	31%	0.314	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-112.7	147.6	176.6	-61.7	-94.4	0	0	0	109	W451 A473 E475 K501 L524 L525	W451-F503 HydrophobicContact CD2-CD2 4.4Å; W451-F503 HydrophobicContact CE3-CD2 4.38Å; W451-F503 HydrophobicContact CE3-CG 4.37Å; W451-F503 AromaticContact CH2-CD1 3.62Å; W451-F503 HydrophobicContact CH2-CD1 3.62Å; W451-F503 HydrophobicContact CH2-CD2 4.27Å; W451-F503 AromaticContact CH2-CE1 3.75Å; W451-F503 HydrophobicContact CH2-CE1 3.75Å; W451-F503 HydrophobicContact CH2-CE2 4.37Å; W451-F503 AromaticContact CH2-CG 3.9Å; W451-F503 HydrophobicContact CH2-CG 3.9Å; W451-F503 HydrophobicContact CH2-CZ 4.13Å; W451-F503 HydrophobicContact CZ2-CD1 4.16Å; W451-F503 HydrophobicContact CZ2-CD2 4.33Å; W451-F503 AromaticContact CZ2-CE1 3.87Å; W451-F503 HydrophobicContact CZ2-CE1 3.87Å; W451-F503 HydrophobicContact CZ2-CE2 4.04Å; W451-F503 HydrophobicContact CZ2-CG 4.39Å; W451-F503 AromaticContact CZ2-CZ 3.81Å; W451-F503 HydrophobicContact CZ2-CZ 3.81Å; W451-F503 HydrophobicContact CZ3-CB 4.12Å; W451-F503 HydrophobicContact CZ3-CD1 4.02Å; W451-F503 HydrophobicContact CZ3-CD2 4.29Å; W451-F503 AromaticContact CZ3-CG 3.89Å; W451-F503 HydrophobicContact CZ3-CG 3.89Å; A473-F503 PolarHBondContact N-O 3.21Å; A473-F503 PolarHBondContact O-N 3.06Å; E475-F503 HydrophobicContact CG-CE2 3.92Å; K501-F503 HydrophobicContact CB-CD2 4.4Å; K501-F503 HydrophobicContact CB-CE2 3.63Å; K501-F503 HydrophobicContact CB-CZ 3.96Å; K501-F503 HydrophobicContact CD-CZ 4.46Å; K501-F503 WeakPolarHBondContact O-CD2 3.5Å; K501-F503 WeakPolarHBondContact O-CE2 3.44Å; F503-L524 WeakPolarHBondContact CA-O 3.49Å; F503-L525 HydrophobicContact CD1-CB 4.3Å; F503-L525 HydrophobicContact CD1-CD1 4.25Å; F503-L525 HydrophobicContact CE1-CB 4.16Å; F503-L525 HydrophobicContact CE1-CD1 3.82Å; F503-L525 HydrophobicContact CZ-CD1 3.98Å
504	E	88.3	Confident	87.6	Confident	14 Å²	14	58.1 Å²	58.1	7%	0.065	32%	0.315	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-109.2	134.3	158.1	-37.7	-173.6	142.7	0	0	108.5	K470 I471 L524 Y526 I529	K470-E504 WeakPolarHBondContact CE-OE1 3.39Å; K470-E504 WeakPolarHBondContact CE-OE2 3.21Å; K470-E504 IonicContact NZ-OE1 3.88Å; K470-E504 PolarHBondContact NZ-OE1 3.24Å; K470-E504 IonicContact NZ-OE2 3.81Å; K470-E504 PolarHBondContact NZ-OE2 3.32Å; I471-E504 CarbonylContact O-C 3.55Å; I471-E504 VanDerWaalsContact O-CA 3.29Å; I471-E504 WeakPolarHBondContact O-CA 3.46Å; E504-L524 PolarHBondContact N-O 3.16Å; E504-L524 VanDerWaalsContact N-O 3.11Å; E504-L524 PolarHBondContact O-N 2.94Å; E504-Y526 HydrophobicContact CG-CD2 3.91Å; E504-Y526 WeakPolarHBondContact OE1-CE2 3.44Å; E504-I529 HydrophobicContact CB-CD1 3.42Å; E504-I529 VanDerWaalsContact CB-CD1 3.42Å; E504-I529 HydrophobicContact CG-CD1 3.5Å
505	C	88.9	Confident	87.8	Confident	0 Å²	0	59.8 Å²	59.8	0%	0	33%	0.329	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-113.8	151	171.3	-52.2	0	0	0	0	110.4	I438 K470 I471 A522 C523	I438-C505 HydrophobicContact CD1-CB 4.23Å; I438-C505 VanDerWaalsContact CD1-SG 3.51Å; K470-C505 CarbonylContact C-O 3.54Å; K470-C505 WeakPolarHBondContact CA-O 3.21Å; I471-C505 HydrophobicContact CB-CB 4.15Å; I471-C505 PolarHBondContact N-O 2.74Å; I471-C505 PolarHBondContact O-N 2.69Å; C505-A522 CarbonylContact C-O 3.56Å; C505-A522 WeakPolarHBondContact CA-O 3.07Å; C505-C523 HydrophobicContact CB-CB 3.95Å; C505-C523 WeakPolarHBondContact CB-SG 3.16Å; C505-C523 WeakPolarHBondContact SG-CB 3.13Å; C505-C523 CovalentContact SG-SG 2.03Å; C505-C523 PolarHBondContact SG-SG 3.08Å
506	F	88	Confident	87.7	Confident	68 Å²	68	57 Å²	57	30%	0.298	31%	0.31	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-116.3	128.7	168.3	-63.7	-86.4	0	0	0	107.6	I459 L468 I469 K470 A522	I459-F506 HydrophobicContact CD1-CE1 4.44Å; L468-F506 HydrophobicContact CD1-CB 4.29Å; I469-F506 WeakPolarHBondContact O-CA 3.21Å; K470-F506 HydrophobicContact CB-CD1 4.27Å; K470-F506 HydrophobicContact CB-CE1 3.96Å; K470-F506 HydrophobicContact CD-CE1 4.28Å; K470-F506 HydrophobicContact CD-CZ 4.41Å; K470-F506 HydrophobicContact CG-CD1 4.5Å; K470-F506 HydrophobicContact CG-CE1 3.88Å; K470-F506 HydrophobicContact CG-CZ 4.21Å; F506-A522 PolarHBondContact N-O 3.39Å; F506-A522 PolarHBondContact O-N 2.85Å; F506-A522 VanDerWaalsContact O-N 3.1Å
507	V	87.7	Confident	87.2	Confident	0 Å²	0	56.8 Å²	56.8	0%	0	31%	0.312	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-123.6	118	179.1	170.6	0	0	0	0	108.4	I433 A437 I469 I471 I516 T521	I433-V507 HydrophobicContact CG2-CG1 4.27Å; A437-V507 HydrophobicContact CB-CB 4.34Å; A437-V507 HydrophobicContact CB-CG1 3.9Å; A437-V507 HydrophobicContact CB-CG2 3.54Å; I469-V507 PolarHBondContact N-O 3.12Å; I469-V507 PolarHBondContact O-N 3.09Å; I471-V507 HydrophobicContact CD1-CB 4.03Å; I471-V507 HydrophobicContact CD1-CG2 3.4Å; I471-V507 VanDerWaalsContact CD1-CG2 3.4Å; I471-V507 HydrophobicContact CG1-CG2 4.49Å; V507-I516 HydrophobicContact CG1-CG1 4.38Å; V507-I516 HydrophobicContact CG1-CG2 4.08Å; V507-T521 HydrophobicContact CG2-CG2 3.81Å
508	Y	86.4	Confident	86.1	Confident	80 Å²	80	59.5 Å²	59.5	31%	0.314	33%	0.329	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-86.6	126	165.4	-178.7	-88.7	0	0	0	109.6	L461 K465 D510 P517 S520	L461-Y508 HydrophobicContact CD1-CD2 3.93Å; L461-Y508 HydrophobicContact CD1-CE2 3.61Å; K465-Y508 PolarHBondContact O-OH 3.45Å; Y508-D510 HydrophobicContact CE1-CB 3.95Å; Y508-P517 HydrophobicContact CD1-CG 4.31Å; Y508-P517 WeakPolarHBondContact O-CD 3.46Å; Y508-S520 PolarHBondContact N-O 3.47Å; Y508-S520 PolarHBondContact O-OG 2.8Å
509	Y	86.1	Confident	84.9	Confident	13 Å²	13	59.6 Å²	59.6	5%	0.051	33%	0.328	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-112.4	120.9	172.9	179.6	-98.7	0	0	0	109	I433 G466 R467 T511 E514 I516	I433-Y509 HydrophobicContact CD1-CD1 3.81Å; I433-Y509 HydrophobicContact CD1-CD2 4.02Å; I433-Y509 HydrophobicContact CD1-CE1 4.01Å; I433-Y509 HydrophobicContact CD1-CE2 4.23Å; I433-Y509 HydrophobicContact CD1-CG 3.8Å; I433-Y509 HydrophobicContact CG1-CD2 4.14Å; I433-Y509 HydrophobicContact CG1-CE2 4.24Å; I433-Y509 HydrophobicContact CG1-CG 4.41Å; I433-Y509 HydrophobicContact CG2-CD2 3.77Å; I433-Y509 HydrophobicContact CG2-CG 4.07Å; G466-Y509 CarbonylContact C-O 3.25Å; G466-Y509 VanDerWaalsContact CA-O 3.23Å; G466-Y509 WeakPolarHBondContact CA-O 3.46Å; R467-Y509 PolarHBondContact N-O 2.83Å; R467-Y509 PolarHBondContact O-N 3.48Å; Y509-T511 HydrophobicContact CD1-CG2 4.14Å; Y509-T511 HydrophobicContact CE1-CG2 4.25Å; Y509-E514 VanDerWaalsContact CE2-C 3.47Å; Y509-E514 WeakPolarHBondContact CE2-O 3.29Å; Y509-E514 VanDerWaalsContact OH-C 3.29Å; Y509-E514 VanDerWaalsContact OH-CA 3.29Å; Y509-E514 WeakPolarHBondContact OH-CA 3.45Å; Y509-E514 PolarHBondContact OH-O 2.84Å; Y509-I516 HydrophobicContact CD2-CG1 3.95Å
510	D	85.1	Confident	83.5	Confident	32 Å²	32	57.2 Å²	57.2	17%	0.171	30%	0.3	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-81.7	115.6	175.7	177.3	15	0	0	0	109.4	K465 Y508 T512 S513 E514 A515	K465-D510 VanDerWaalsContact O-OD1 3.1Å; Y508-D510 HydrophobicContact CE1-CB 3.95Å; D510-T512 PolarHBondContact O-N 3.39Å; D510-T512 WeakPolarHBondContact OD1-CA 3.34Å; D510-T512 WeakPolarHBondContact OD1-CB 3.33Å; D510-T512 PolarHBondContact OD1-N 2.82Å; D510-T512 PolarHBondContact OD1-OG1 3.18Å; D510-S513 WeakPolarHBondContact CB-OG 3.28Å; D510-S513 VanDerWaalsContact CG-OG 3.27Å; D510-S513 VanDerWaalsContact OD2-CB 3.3Å; D510-S513 WeakPolarHBondContact OD2-CB 3.35Å; D510-S513 PolarHBondContact OD2-N 2.96Å; D510-S513 PolarHBondContact OD2-OG 3.16Å; D510-E514 WeakPolarHBondContact O-CA 3.28Å; D510-E514 PolarHBondContact O-N 3.48Å; D510-A515 PolarHBondContact N-O 2.98Å; D510-A515 PolarHBondContact O-N 3.35Å
511	T	85.1	Confident	82.4	Confident	46 Å²	46	57.6 Å²	57.6	28%	0.282	30%	0.3	S	S	.	.	T	Hydrogen-bonded Turn	trans	-74.1	-10.1	177	50.3	0	0	0	0	112.7	K464 K465 G466 R467 Y509	K464-T511 PolarHBondContact O-OG1 2.83Å; K465-T511 WeakPolarHBondContact CA-OG1 3.47Å; K465-T511 PolarHBondContact O-N 3.13Å; K465-T511 PolarHBondContact O-OG1 2.91Å; G466-T511 PolarHBondContact N-OG1 2.92Å; R467-T511 HydrophobicContact CG-CG2 3.8Å; Y509-T511 HydrophobicContact CD1-CG2 4.14Å; Y509-T511 HydrophobicContact CE1-CG2 4.25Å
512	T	85.5	Confident	81.7	Confident	100 Å²	100	55.7 Å²	55.7	61%	0.613	30%	0.301	S	S	*	.	T	Hydrogen-bonded Turn	trans	-87.4	-34.3	179.2	-28.7	0	0	0	0	112.6	D510	D510-T512 PolarHBondContact O-N 3.39Å; D510-T512 WeakPolarHBondContact OD1-CA 3.34Å; D510-T512 WeakPolarHBondContact OD1-CB 3.33Å; D510-T512 PolarHBondContact OD1-N 2.82Å; D510-T512 PolarHBondContact OD1-OG1 3.18Å
513	S	87.8	Confident	81.1	Confident	69 Å²	69	52.1 Å²	52.1	48%	0.483	29%	0.287	S	S	.	.	T	Hydrogen-bonded Turn	trans	-108.6	5.3	177.9	61.5	0	0	0	0	113.8	D510 A515	D510-S513 WeakPolarHBondContact CB-OG 3.28Å; D510-S513 VanDerWaalsContact CG-OG 3.27Å; D510-S513 VanDerWaalsContact OD2-CB 3.3Å; D510-S513 WeakPolarHBondContact OD2-CB 3.35Å; D510-S513 PolarHBondContact OD2-N 2.96Å; D510-S513 PolarHBondContact OD2-OG 3.16Å; S513-A515 WeakPolarHBondContact O-CB 3.46Å; S513-A515 PolarHBondContact O-N 3.05Å
514	E	87.1	Confident	80.5	Confident	94 Å²	94	53.1 Å²	53.1	44%	0.439	29%	0.293	S	S	.	.	T	Hydrogen-bonded Turn	trans	52.1	21.6	-174.7	-61.5	-175.1	-171.2	0	0	114.5	P425 Y509 D510	P425-E514 WeakPolarHBondContact CB-OE1 3.41Å; P425-E514 WeakPolarHBondContact CB-OE2 3.33Å; Y509-E514 VanDerWaalsContact CE2-C 3.47Å; Y509-E514 WeakPolarHBondContact CE2-O 3.29Å; Y509-E514 VanDerWaalsContact OH-C 3.29Å; Y509-E514 VanDerWaalsContact OH-CA 3.29Å; Y509-E514 WeakPolarHBondContact OH-CA 3.45Å; Y509-E514 PolarHBondContact OH-O 2.84Å; D510-E514 WeakPolarHBondContact O-CA 3.28Å; D510-E514 PolarHBondContact O-N 3.48Å
515	A	86.1	Confident	79.6	Confident	35 Å²	35	54.5 Å²	54.5	29%	0.289	30%	0.301	S	S	.	.	B	Isolated β-bridge	trans	-117.2	155.3	-165.4	0	0	0	0	0	113.2	D510 S513 P517	D510-A515 PolarHBondContact N-O 2.98Å; D510-A515 PolarHBondContact O-N 3.35Å; S513-A515 WeakPolarHBondContact O-CB 3.46Å; S513-A515 PolarHBondContact O-N 3.05Å; A515-P517 WeakPolarHBondContact O-CD 3.31Å
516	I	84.4	Confident	78	Confident	10 Å²	10	60 Å²	60	5%	0.051	32%	0.322	C	S	.	.			trans	-93.2	107.9	160.3	-56.9	160.6	0	0	0	105.5	I433 N436 A437 V507 Y509 S520	I433-I516 HydrophobicContact CG2-CD1 4.21Å; I433-I516 HydrophobicContact CG2-CG1 4.19Å; N436-I516 HydrophobicContact CB-CD1 4.24Å; A437-I516 HydrophobicContact CB-CD1 3.88Å; V507-I516 HydrophobicContact CG1-CG1 4.38Å; V507-I516 HydrophobicContact CG1-CG2 4.08Å; Y509-I516 HydrophobicContact CD2-CG1 3.95Å; I516-S520 VanDerWaalsContact CG2-OG 3.28Å; I516-S520 WeakPolarHBondContact CG2-OG 3.46Å
517	P	80.1	Confident	76.4	Confident	55 Å²	55	64.7 Å²	64.7	36%	0.357	34%	0.343	S	S	.	.			trans	-55.4	146.4	176.6	-26.7	35.6	0	0	0	111.6	Y508 A515 I519 S520	Y508-P517 HydrophobicContact CD1-CG 4.31Å; Y508-P517 WeakPolarHBondContact O-CD 3.46Å; A515-P517 WeakPolarHBondContact O-CD 3.31Å; P517-I519 PolarHBondContact O-N 3.39Å; P517-S520 WeakPolarHBondContact CD-OG 3.18Å; P517-S520 PolarHBondContact O-N 3.05Å; P517-S520 PolarHBondContact O-OG 2.88Å; P517-S520 VanDerWaalsContact O-OG 3.11Å
518	Q	64.1	Low	74.9	Confident	174 Å²	174	68.9 Å²	68.9	81%	0.813	36%	0.363	S	S	*	.	T	Hydrogen-bonded Turn	trans	-60.2	-17.4	-166.7	-65.3	-160.3	16	0	0	115.8
519	I	61.8	Low	73.4	Confident	160 Å²	160	65.7 Å²	65.7	82%	0.821	35%	0.351	S	S	*	.	T	Hydrogen-bonded Turn	trans	-106	-9.9	-175.3	-57.5	169.7	0	0	0	111.4	P517 T521	P517-I519 PolarHBondContact O-N 3.39Å; I519-T521 PolarHBondContact O-N 2.8Å
520	S	62.3	Low	71.4	Confident	24 Å²	24	71.7 Å²	71.7	17%	0.168	38%	0.381	C	S	.	.			trans	-80.8	-0.7	-162.8	72.7	0	0	0	0	117.4	Y508 I516 P517 A522	Y508-S520 PolarHBondContact N-O 3.47Å; Y508-S520 PolarHBondContact O-OG 2.8Å; I516-S520 VanDerWaalsContact CG2-OG 3.28Å; I516-S520 WeakPolarHBondContact CG2-OG 3.46Å; P517-S520 WeakPolarHBondContact CD-OG 3.18Å; P517-S520 PolarHBondContact O-N 3.05Å; P517-S520 PolarHBondContact O-OG 2.88Å; P517-S520 VanDerWaalsContact O-OG 3.11Å; S520-A522 PolarHBondContact O-N 2.87Å
521	T	66.5	Low	69.6	Low	32 Å²	32	76.7 Å²	76.7	20%	0.196	41%	0.407	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-97.7	80.8	178.6	-53.7	0	0	0	0	110.9	A437 V507 I519	A437-T521 HydrophobicContact CB-CG2 4.5Å; V507-T521 HydrophobicContact CG2-CG2 3.81Å; I519-T521 PolarHBondContact O-N 2.8Å
522	A	76.6	Confident	67.8	Low	49 Å²	49	77.4 Å²	77.4	41%	0.405	41%	0.41	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-83.6	120.5	172	0	0	0	0	0	109.6	C505 F506 S520	C505-A522 CarbonylContact C-O 3.56Å; C505-A522 WeakPolarHBondContact CA-O 3.07Å; F506-A522 PolarHBondContact N-O 3.39Å; F506-A522 PolarHBondContact O-N 2.85Å; F506-A522 VanDerWaalsContact O-N 3.1Å; S520-A522 PolarHBondContact O-N 2.87Å
523	C	76.1	Confident	65.9	Low	17 Å²	17	77.3 Å²	77.3	12%	0.115	41%	0.409	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-120	140.4	173.3	-60.8	0	0	0	0	110.2	R441 W451 C505	R441-C523 VanDerWaalsContact CD-SG 3.52Å; W451-C523 HydrophobicContact CH2-CB 4.13Å; W451-C523 HydrophobicContact CZ3-CB 3.67Å; C505-C523 HydrophobicContact CB-CB 3.95Å; C505-C523 WeakPolarHBondContact CB-SG 3.16Å; C505-C523 WeakPolarHBondContact SG-CB 3.13Å; C505-C523 CovalentContact SG-SG 2.03Å; C505-C523 PolarHBondContact SG-SG 3.08Å
524	L	76	Confident	63.4	Low	44 Å²	44	78.5 Å²	78.5	23%	0.23	42%	0.423	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-131.1	152.2	174	-73.3	-175.9	0	0	0	110.6	F503 E504 E528 I529 N532 I536	F503-L524 WeakPolarHBondContact CA-O 3.49Å; E504-L524 PolarHBondContact N-O 3.16Å; E504-L524 VanDerWaalsContact N-O 3.11Å; E504-L524 PolarHBondContact O-N 2.94Å; L524-E528 HydrophobicContact CB-CB 4.46Å; L524-I529 HydrophobicContact CB-CD1 4.04Å; L524-I529 HydrophobicContact CB-CG1 3.46Å; L524-I529 VanDerWaalsContact CB-CG1 3.46Å; L524-I529 HydrophobicContact CD1-CG1 3.82Å; L524-I529 HydrophobicContact CG-CG1 4.29Å; L524-N532 HydrophobicContact CD1-CB 4.44Å; L524-I536 HydrophobicContact CD1-CD1 3.48Å; L524-I536 VanDerWaalsContact CD1-CD1 3.48Å; L524-I536 HydrophobicContact CG-CD1 4.39Å
525	L	69.8	Low	61.2	Low	43 Å²	43	83.2 Å²	83.2	23%	0.225	44%	0.436	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-64	139.6	167	-172.8	71	0	0	0	108.6	K501 F503 K527 E528 I529	K501-L525 HydrophobicContact CB-CD1 3.73Å; K501-L525 HydrophobicContact CD-CD1 3.9Å; K501-L525 HydrophobicContact CG-CD1 4.1Å; F503-L525 HydrophobicContact CD1-CB 4.3Å; F503-L525 HydrophobicContact CD1-CD1 4.25Å; F503-L525 HydrophobicContact CE1-CB 4.16Å; F503-L525 HydrophobicContact CE1-CD1 3.82Å; F503-L525 HydrophobicContact CZ-CD1 3.98Å; L525-K527 HydrophobicContact CD2-CB 4.42Å; L525-K527 PolarHBondContact O-N 2.74Å; L525-E528 HydrophobicContact CB-CB 4.45Å; L525-E528 HydrophobicContact CB-CG 3.95Å; L525-E528 VanDerWaalsContact CB-OE2 3.31Å; L525-E528 WeakPolarHBondContact CB-OE2 3.48Å; L525-E528 PolarHBondContact N-OE2 2.8Å; L525-E528 WeakPolarHBondContact O-CB 3.49Å; L525-E528 PolarHBondContact O-N 2.81Å; L525-I529 PolarHBondContact O-N 3.49Å
526	Y	56.2	Low	59.2	Low	114 Å²	114	85.6 Å²	85.6	45%	0.447	44%	0.444	S	S	.	.	H	α-helix	trans	-52.5	-34.2	-176.7	-174.6	-92.3	0	0	0	113.5	K502 E504	K502-Y526 WeakPolarHBondContact O-CB 3.4Å; K502-Y526 PolarHBondContact O-N 3.09Å; K502-Y526 VanDerWaalsContact O-N 3.1Å; E504-Y526 HydrophobicContact CG-CD2 3.91Å; E504-Y526 WeakPolarHBondContact OE1-CE2 3.44Å
527	K	54	Low	57.1	Low	167 Å²	167	91.6 Å²	91.6	73%	0.726	48%	0.48	S	S	*	.	H	α-helix	trans	-69.1	-27.9	175.3	-67.3	-175	176.2	-179.4	0	114.4	L525	L525-K527 HydrophobicContact CD2-CB 4.42Å; L525-K527 PolarHBondContact O-N 2.74Å
528	E	56.7	Low	55.2	Low	89 Å²	89	96 Å²	96	42%	0.416	50%	0.5	S	S	.	.	H	α-helix	trans	-80.4	-31.6	179.5	-64.9	171.3	147	0	0	112.1	L524 L525 N531 N532	L524-E528 HydrophobicContact CB-CB 4.46Å; L525-E528 HydrophobicContact CB-CB 4.45Å; L525-E528 HydrophobicContact CB-CG 3.95Å; L525-E528 VanDerWaalsContact CB-OE2 3.31Å; L525-E528 WeakPolarHBondContact CB-OE2 3.48Å; L525-E528 PolarHBondContact N-OE2 2.8Å; L525-E528 WeakPolarHBondContact O-CB 3.49Å; L525-E528 PolarHBondContact O-N 2.81Å; E528-N531 PolarHBondContact O-N 3.4Å; E528-N531 VanDerWaalsContact O-N 3.1Å; E528-N532 WeakPolarHBondContact O-CB 3.08Å; E528-N532 PolarHBondContact O-N 2.69Å; E528-N532 PolarHBondContact O-ND2 2.72Å
529	I	54.9	Low	54	Low	13 Å²	13	96.6 Å²	96.6	7%	0.067	50%	0.5	C	S	.	.	H	α-helix	trans	-58	-49.3	177.3	-64.9	177	0	0	0	110	E504 L524 L525 N531 N532 V533	E504-I529 HydrophobicContact CB-CD1 3.42Å; E504-I529 VanDerWaalsContact CB-CD1 3.42Å; E504-I529 HydrophobicContact CG-CD1 3.5Å; L524-I529 HydrophobicContact CB-CD1 4.04Å; L524-I529 HydrophobicContact CB-CG1 3.46Å; L524-I529 VanDerWaalsContact CB-CG1 3.46Å; L524-I529 HydrophobicContact CD1-CG1 3.82Å; L524-I529 HydrophobicContact CG-CG1 4.29Å; L525-I529 PolarHBondContact O-N 3.49Å; I529-N531 PolarHBondContact O-N 2.89Å; I529-N532 PolarHBondContact O-N 2.71Å; I529-V533 HydrophobicContact CG2-CG2 3.46Å; I529-V533 VanDerWaalsContact CG2-CG2 3.46Å; I529-V533 VanDerWaalsContact O-CG2 3.25Å; I529-V533 WeakPolarHBondContact O-CG2 3.31Å; I529-V533 PolarHBondContact O-N 2.74Å
530	M	44.2	Very low	52.9	Low	139 Å²	139	96.7 Å²	96.7	69%	0.685	50%	0.502	S	S	*	.	H	α-helix	trans	-54.8	-24.7	177.1	-62.1	-59.5	-67.9	0	0	113.6
531	N	45.7	Very low	51.8	Low	136 Å²	136	105.1 Å²	105.1	73%	0.727	54%	0.536	S	S	*	.	H	α-helix	trans	-100.9	-20.1	179.2	-65.7	-17.3	0	0	0	114	E528 I529	E528-N531 PolarHBondContact O-N 3.4Å; E528-N531 VanDerWaalsContact O-N 3.1Å; I529-N531 PolarHBondContact O-N 2.89Å
532	N	48	Very low	50.2	Low	62 Å²	62	113.7 Å²	113.7	33%	0.332	57%	0.57	S	S	.	*	H	α-helix	trans	-120.8	-6.1	-168.3	-73.6	-69.7	0	0	0	116.3	L524 E528 I529 A534 R535	L524-N532 HydrophobicContact CD1-CB 4.44Å; E528-N532 WeakPolarHBondContact O-CB 3.08Å; E528-N532 PolarHBondContact O-N 2.69Å; E528-N532 PolarHBondContact O-ND2 2.72Å; I529-N532 PolarHBondContact O-N 2.71Å; N532-A534 PolarHBondContact O-N 2.81Å; N532-R535 PolarHBondContact O-N 3.27Å
533	V	44.9	Very low	48.3	Very low	97 Å²	97	119.9 Å²	119.9	59%	0.588	62%	0.621	S	S	*	*	G	3₁₀ helix	trans	-51.3	-28.8	-179	154.6	0	0	0	0	113.8	I529 R535	I529-V533 HydrophobicContact CG2-CG2 3.46Å; I529-V533 VanDerWaalsContact CG2-CG2 3.46Å; I529-V533 VanDerWaalsContact O-CG2 3.25Å; I529-V533 WeakPolarHBondContact O-CG2 3.31Å; I529-V533 PolarHBondContact O-N 2.74Å; V533-R535 PolarHBondContact O-N 2.7Å; V533-R535 VanDerWaalsContact O-N 3.14Å
534	A	37.1	Very low	46.9	Very low	94 Å²	94	125 Å²	125	78%	0.777	65%	0.646	S	S	*	*	G	3₁₀ helix	trans	-64.2	-11.7	176.8	0	0	0	0	0	115.9	N532	N532-A534 PolarHBondContact O-N 2.81Å
535	R	40.9	Very low	45.4	Very low	193 Å²	193	129.3 Å²	129.3	73%	0.728	67%	0.668	S	S	*	*	G	3₁₀ helix	trans	-115.2	-15.6	-170.7	-75.9	-178.4	171.4	167.9	-1.9	116.7	N532 V533	N532-R535 PolarHBondContact O-N 3.27Å; V533-R535 PolarHBondContact O-N 2.7Å; V533-R535 VanDerWaalsContact O-N 3.14Å
536	I	42.7	Very low	44	Very low	86 Å²	86	134.1 Å²	134.1	44%	0.441	69%	0.693	S	S	.	*	G	3₁₀ helix	trans	-88.7	-22.1	-161.1	-70.5	171.1	0	0	0	113.8	L524 L538	L524-I536 HydrophobicContact CD1-CD1 3.48Å; L524-I536 VanDerWaalsContact CD1-CD1 3.48Å; L524-I536 HydrophobicContact CG-CD1 4.39Å; I536-L538 VanDerWaalsContact C-N 3.31Å; I536-L538 PolarHBondContact O-N 3.33Å
537	V	41.4	Very low	43.3	Very low	136 Å²	136	135.2 Å²	135.2	82%	0.824	71%	0.707	S	S	*	*	G	3₁₀ helix	trans	-86.4	5.4	-175.2	-168.9	0	0	0	0	113.2
538	L	40	Very low	42.6	Very low	147 Å²	147	133.3 Å²	133.3	77%	0.77	71%	0.706	S	S	*	*	G	3₁₀ helix	trans	-126	12.5	-168.6	-68.5	177	0	0	0	116.1	I536	I536-L538 VanDerWaalsContact C-N 3.31Å; I536-L538 PolarHBondContact O-N 3.33Å
539	K	38	Very low	41.7	Very low	187 Å²	187	136.2 Å²	136.2	81%	0.813	73%	0.726	S	S	*	*	S	Bend	trans	-92.2	-24.2	-177.5	-88.3	-165.5	169.6	-171.6	0	116.8	K541	K539-K541 PolarHBondContact O-N 2.75Å
540	D	39.1	Very low	40.8	Very low	162 Å²	162	145 Å²	145	87%	0.866	77%	0.773	S	S	*	*	S	Bend	trans	-100.3	74.2	176.2	-73.8	-45.7	0	0	0	112.2
541	K	38.8	Very low	40.5	Very low	201 Å²	201	145.5 Å²	145.5	87%	0.874	78%	0.779	S	S	*	*			trans	-154	36.7	164.3	-125.6	176.6	-173.3	-177.6	0	113.7	K539	K539-K541 PolarHBondContact O-N 2.75Å
542	K	33.6	Very low	40.1	Very low	212 Å²	212	146.3 Å²	146.3	92%	0.922	78%	0.784	S	S	*	*			trans	-129.1	70.5	170.8	-80.1	-163.9	171.9	-169.6	0	111
543	A	36.2	Very low	39.3	Very low	178 Å²	178	153.9 Å²	153.9	100%	1.471	83%	0.825	S	S	*	*			trans	-145.2	0	159.1	0	0	0	0	0	106.3

Retrieved 543 of 543 residues in 777.4 ms (Link to these results)

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