A0A087WT00_HUMAN Loading...

CD302 molecule

AlphaFold DB , UniProt , Accession A0A087WT00, Species HUMAN (Homo sapiens, Human), Gene CD302, Length 195 aa.

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(Predicted Aligned Error values between residue pairs)

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Site	Residue	pLDDT	pLDDT confidence	pLDDT₁₀	pLDDT10 confidence	SASA	SASA [Å²]	SASA₁₀	SASA10 [Å²]	RSA	RSA unformatted	RSA₁₀	RSA10 unformatted	Surface	Surface10 (not used)	Disorder (not used)	Disorder	Sec. str.	Secondary structure	Isomer	Phi (φ)	Psi (ψ)	Omega (ω)	Chi 1 (χ₁)	Chi 2 (χ₂)	Chi 3 (χ₃)	Chi 4 (χ₄)	Chi 5 (χ₅)	Tau (τ)	Contacts (colored by PAE)	Contact details
1	M	34.6	Very low	53.6	Low	225 Å²	225	95.5 Å²	95.5	100%	1.108	49%	0.49	S	S	*	.				0	107.8	0	-70.2	176.9	-174.8	0	0	103.4
2	L	38.5	Very low	55.5	Low	119 Å²	119	87.5 Å²	87.5	62%	0.623	45%	0.449	S	S	*	.			trans	-123.5	100.8	-175.6	-160.3	81.2	0	0	0	104	L9	L2-L9 HydrophobicContact CD2-CD1 4.35Å
3	R	42.2	Very low	57.3	Low	225 Å²	225	87.2 Å²	87.2	85%	0.849	45%	0.448	S	S	*	.			trans	-117.8	56.9	175	-81	-169.5	171.9	-157.2	-0.3	109.6
4	A	46.6	Very low	59	Low	23 Å²	23	88.2 Å²	88.2	19%	0.19	45%	0.454	C	S	.	.	S	Bend	trans	-62.5	145.8	142.2	0	0	0	0	0	107.5	L6 L9	A4-L6 PolarHBondContact O-N 3.5Å; A4-L6 VanDerWaalsContact O-N 3.17Å; A4-L9 HydrophobicContact CB-CD1 3.65Å; A4-L9 HydrophobicContact CB-CD2 4.24Å; A4-L9 HydrophobicContact CB-CG 3.79Å
5	A	48.8	Very low	60.4	Low	39 Å²	39	82.8 Å²	82.8	32%	0.322	43%	0.428	S	S	.	.			trans	-59.4	127.2	178.2	0	0	0	0	0	108.2	P7 A8 D89	A5-P7 HydrophobicContact CB-CG 4.25Å; A5-P7 WeakPolarHBondContact O-CD 3.39Å; A5-A8 PolarHBondContact O-N 3.45Å; A5-D89 WeakPolarHBondContact CB-OD2 3.13Å; A5-D89 PolarHBondContact N-OD1 2.92Å
6	L	51.6	Low	61.8	Low	161 Å²	161	80.8 Å²	80.8	84%	0.843	42%	0.418	S	S	*	.	T	Hydrogen-bonded Turn	trans	-45.7	-33.1	179	-121.9	80.6	0	0	0	115.1	A4	A4-L6 PolarHBondContact O-N 3.5Å; A4-L6 VanDerWaalsContact O-N 3.17Å
7	P	56.5	Low	63.1	Low	76 Å²	76	79.2 Å²	79.2	49%	0.494	42%	0.419	S	S	.	.	T	Hydrogen-bonded Turn	trans	-75.6	-28.9	176.9	28.6	-36.1	0	0	0	115	A5 L9 L10 E107	A5-P7 HydrophobicContact CB-CG 4.25Å; A5-P7 WeakPolarHBondContact O-CD 3.39Å; P7-L9 PolarHBondContact O-N 2.92Å; P7-L10 WeakPolarHBondContact O-CB 3.42Å; P7-L10 PolarHBondContact O-N 3.25Å; P7-E107 WeakPolarHBondContact CB-OE1 3.38Å
8	A	59.1	Low	64.3	Low	1 Å²	1	77.9 Å²	77.9	1%	0.008	42%	0.422	C	S	.	.	T	Hydrogen-bonded Turn	trans	-77.7	-22.4	-173	0	0	0	0	0	115.5	A5 L10 D89 C106	A5-A8 PolarHBondContact O-N 3.45Å; A8-L10 VanDerWaalsContact C-N 3.26Å; A8-L10 PolarHBondContact O-N 3.26Å; A8-D89 HydrophobicContact CB-CB 3.26Å; A8-D89 WeakPolarHBondContact CB-OD1 3.08Å; A8-D89 WeakPolarHBondContact CB-OD2 3.42Å; A8-C106 WeakPolarHBondContact O-CB 3.31Å
9	L	65.6	Low	65.4	Low	25 Å²	25	73.8 Å²	73.8	13%	0.131	40%	0.4	C	S	.	.	T	Hydrogen-bonded Turn	trans	-83.2	-1.9	177.3	-71.5	179.7	0	0	0	113	L2 A4 P7 L11 P12 L13 F68	L2-L9 HydrophobicContact CD2-CD1 4.35Å; A4-L9 HydrophobicContact CB-CD1 3.65Å; A4-L9 HydrophobicContact CB-CD2 4.24Å; A4-L9 HydrophobicContact CB-CG 3.79Å; P7-L9 PolarHBondContact O-N 2.92Å; L9-L11 PolarHBondContact O-N 3.15Å; L9-P12 WeakPolarHBondContact O-CD 3.39Å; L9-L13 HydrophobicContact CB-CD1 3.64Å; L9-L13 HydrophobicContact CB-CG 3.95Å; L9-L13 WeakPolarHBondContact O-CB 3.41Å; L9-L13 WeakPolarHBondContact O-CD1 3.29Å; L9-L13 WeakPolarHBondContact O-CG 3.35Å; L9-L13 PolarHBondContact O-N 3.16Å; L9-F68 HydrophobicContact CD2-CZ 4.44Å
10	L	73	Confident	66.5	Low	108 Å²	108	73.4 Å²	73.4	57%	0.565	41%	0.407	S	S	*	.	H	α-helix	trans	-62	-46.5	-169.4	-158.3	125.1	0	0	0	112.9	P7 A8 L14	P7-L10 WeakPolarHBondContact O-CB 3.42Å; P7-L10 PolarHBondContact O-N 3.25Å; A8-L10 VanDerWaalsContact C-N 3.26Å; A8-L10 PolarHBondContact O-N 3.26Å; L10-L14 HydrophobicContact CD2-CD1 3.98Å; L10-L14 WeakPolarHBondContact O-CB 3.38Å; L10-L14 VanDerWaalsContact O-CG 3.23Å; L10-L14 WeakPolarHBondContact O-CG 3.46Å; L10-L14 PolarHBondContact O-N 3.48Å
11	L	72.6	Confident	67.5	Low	48 Å²	48	76.3 Å²	76.3	25%	0.251	43%	0.427	S	S	.	.	H	α-helix	trans	-69.1	-48.4	177.9	-84.7	168.3	0	0	0	113.1	L9 L13 L14 G15 C106	L9-L11 PolarHBondContact O-N 3.15Å; L11-L13 VanDerWaalsContact C-N 3.3Å; L11-L13 PolarHBondContact O-N 2.83Å; L11-L14 PolarHBondContact O-N 3.4Å; L11-G15 PolarHBondContact O-N 3.37Å; L11-C106 WeakPolarHBondContact CB-O 3.26Å; L11-C106 WeakPolarHBondContact CD1-O 3.38Å
12	P	76.5	Confident	69.9	Low	0 Å²	0	69.3 Å²	69.3	0%	0	40%	0.404	C	S	.	.	H	α-helix	trans	-57	-41	172.5	-26.8	34	0	0	0	113.3	L9 G15 L16 F68 C91 C106	L9-P12 WeakPolarHBondContact O-CD 3.39Å; P12-G15 PolarHBondContact O-N 3.45Å; P12-L16 WeakPolarHBondContact O-CB 3.45Å; P12-L16 PolarHBondContact O-N 3.28Å; P12-F68 HydrophobicContact CB-CE2 3.66Å; P12-F68 HydrophobicContact CB-CZ 3.52Å; P12-C91 WeakPolarHBondContact CG-SG 3.19Å; P12-C106 HydrophobicContact CG-CB 4.04Å
13	L	78.8	Confident	72.2	Confident	84 Å²	84	66.2 Å²	66.2	44%	0.44	40%	0.401	S	S	.	.	H	α-helix	trans	-67.7	-36.1	177.6	-71	171	0	0	0	112.2	L9 L11 L16 A17	L9-L13 HydrophobicContact CB-CD1 3.64Å; L9-L13 HydrophobicContact CB-CG 3.95Å; L9-L13 WeakPolarHBondContact O-CB 3.41Å; L9-L13 WeakPolarHBondContact O-CD1 3.29Å; L9-L13 WeakPolarHBondContact O-CG 3.35Å; L9-L13 PolarHBondContact O-N 3.16Å; L11-L13 VanDerWaalsContact C-N 3.3Å; L11-L13 PolarHBondContact O-N 2.83Å; L13-L16 HydrophobicContact CD2-CD2 4.5Å; L13-L16 PolarHBondContact O-N 3.24Å; L13-A17 VanDerWaalsContact O-CB 3.26Å; L13-A17 WeakPolarHBondContact O-CB 3.38Å; L13-A17 PolarHBondContact O-N 2.96Å
14	L	81.8	Confident	74.4	Confident	101 Å²	101	56.6 Å²	56.6	53%	0.529	37%	0.37	S	S	.	.	H	α-helix	trans	-64.2	-43.8	171.5	-75.2	170.3	0	0	0	111.2	L10 L11 A17 A18	L10-L14 HydrophobicContact CD2-CD1 3.98Å; L10-L14 WeakPolarHBondContact O-CB 3.38Å; L10-L14 VanDerWaalsContact O-CG 3.23Å; L10-L14 WeakPolarHBondContact O-CG 3.46Å; L10-L14 PolarHBondContact O-N 3.48Å; L11-L14 PolarHBondContact O-N 3.4Å; L14-A17 PolarHBondContact O-N 3.45Å; L14-A18 WeakPolarHBondContact O-CB 3.24Å; L14-A18 PolarHBondContact O-N 3.19Å
15	G	79.9	Confident	76.5	Confident	7 Å²	7	57.9 Å²	57.9	7%	0.072	37%	0.373	C	S	.	.	H	α-helix	trans	-59.5	-46.2	174.5	0	0	0	0	0	112.2	L11 P12 A18 A19	L11-G15 PolarHBondContact O-N 3.37Å; P12-G15 PolarHBondContact O-N 3.45Å; G15-A18 PolarHBondContact O-N 2.91Å; G15-A19 WeakPolarHBondContact O-CB 3.29Å; G15-A19 PolarHBondContact O-N 2.91Å
16	L	82.6	Confident	78.5	Confident	51 Å²	51	56.1 Å²	56.1	27%	0.267	36%	0.358	S	S	.	.	H	α-helix	trans	-62.3	-45.3	176.5	-173.2	64.8	0	0	0	111.8	P12 L13 A18 A19 A20 D25 M26 F68	P12-L16 WeakPolarHBondContact O-CB 3.45Å; P12-L16 PolarHBondContact O-N 3.28Å; L13-L16 HydrophobicContact CD2-CD2 4.5Å; L13-L16 PolarHBondContact O-N 3.24Å; L16-A18 PolarHBondContact O-N 3.02Å; L16-A19 PolarHBondContact O-N 2.92Å; L16-A20 WeakPolarHBondContact O-CB 3.47Å; L16-A20 PolarHBondContact O-N 3.32Å; L16-D25 WeakPolarHBondContact CD1-OD1 3.41Å; L16-M26 HydrophobicContact CB-SD 4.2Å; L16-M26 HydrophobicContact CD1-CG 4.48Å; L16-F68 HydrophobicContact CD1-CB 4.08Å; L16-F68 HydrophobicContact CD2-CD1 4.1Å
17	A	83.9	Confident	80.4	Confident	53 Å²	53	48.8 Å²	48.8	44%	0.438	32%	0.32	S	S	.	.	H	α-helix	trans	-63.1	-42.6	177.2	0	0	0	0	0	111.8	L13 L14 A20 V21	L13-A17 VanDerWaalsContact O-CB 3.26Å; L13-A17 WeakPolarHBondContact O-CB 3.38Å; L13-A17 PolarHBondContact O-N 2.96Å; L14-A17 PolarHBondContact O-N 3.45Å; A17-A20 PolarHBondContact O-N 2.95Å; A17-V21 VanDerWaalsContact O-CG2 3.31Å; A17-V21 WeakPolarHBondContact O-CG2 3.4Å; A17-V21 PolarHBondContact O-N 3.43Å
18	A	85.1	Confident	82.3	Confident	57 Å²	57	45.2 Å²	45.2	47%	0.471	30%	0.297	S	S	.	.	H	α-helix	trans	-63.9	-42.7	176.8	0	0	0	0	0	112	L14 G15 L16 V21 A22	L14-A18 WeakPolarHBondContact O-CB 3.24Å; L14-A18 PolarHBondContact O-N 3.19Å; G15-A18 PolarHBondContact O-N 2.91Å; L16-A18 PolarHBondContact O-N 3.02Å; A18-V21 PolarHBondContact O-N 3.4Å; A18-A22 PolarHBondContact O-N 2.87Å
19	A	85.5	Confident	84	Confident	0 Å²	0	45.2 Å²	45.2	0%	0	30%	0.297	C	S	.	.	H	α-helix	trans	-60.9	-46.9	174.5	0	0	0	0	0	111.2	G15 L16 V21 A22 G23 A24 C116	G15-A19 WeakPolarHBondContact O-CB 3.29Å; G15-A19 PolarHBondContact O-N 2.91Å; L16-A19 PolarHBondContact O-N 2.92Å; A19-V21 VanDerWaalsContact C-N 3.34Å; A19-V21 PolarHBondContact O-N 2.94Å; A19-A22 CarbonylContact O-C 3.47Å; A19-A22 WeakPolarHBondContact O-CA 3.35Å; A19-A22 WeakPolarHBondContact O-CB 3.36Å; A19-A22 PolarHBondContact O-N 2.98Å; A19-G23 PolarHBondContact O-N 3.49Å; A19-A24 CarbonylContact C-O 3.43Å; A19-A24 HydrophobicContact CB-CB 4.46Å; A19-A24 CarbonylContact O-C 3.52Å; A19-A24 WeakPolarHBondContact O-CA 3.31Å; A19-A24 PolarHBondContact O-N 2.96Å; A19-C116 HydrophobicContact CB-CB 4.23Å
20	A	86.1	Confident	85.5	Confident	65 Å²	65	46.3 Å²	46.3	54%	0.537	30%	0.301	S	S	.	.	H	α-helix	trans	-60.8	-41.1	179.2	0	0	0	0	0	112.3	L16 A17 A22 G23 A24	L16-A20 WeakPolarHBondContact O-CB 3.47Å; L16-A20 PolarHBondContact O-N 3.32Å; A17-A20 PolarHBondContact O-N 2.95Å; A20-A22 PolarHBondContact O-N 3.45Å; A20-G23 PolarHBondContact O-N 3.31Å; A20-A24 PolarHBondContact N-O 3.48Å
21	V	87.5	Confident	86.6	Confident	135 Å²	135	44.2 Å²	44.2	82%	0.818	29%	0.29	S	S	*	.	H	α-helix	trans	-59.6	-32.5	174.1	168.2	0	0	0	0	111.8	A17 A18 A19 G23	A17-V21 VanDerWaalsContact O-CG2 3.31Å; A17-V21 WeakPolarHBondContact O-CG2 3.4Å; A17-V21 PolarHBondContact O-N 3.43Å; A18-V21 PolarHBondContact O-N 3.4Å; A19-V21 VanDerWaalsContact C-N 3.34Å; A19-V21 PolarHBondContact O-N 2.94Å; V21-G23 VanDerWaalsContact C-N 3.32Å
22	A	85.4	Confident	87.8	Confident	78 Å²	78	46.3 Å²	46.3	65%	0.645	30%	0.299	S	S	*	.	T	Hydrogen-bonded Turn	trans	-84.9	2.3	175.9	0	0	0	0	0	114.1	A18 A19 A20 A24	A18-A22 PolarHBondContact O-N 2.87Å; A19-A22 CarbonylContact O-C 3.47Å; A19-A22 WeakPolarHBondContact O-CA 3.35Å; A19-A22 WeakPolarHBondContact O-CB 3.36Å; A19-A22 PolarHBondContact O-N 2.98Å; A20-A22 PolarHBondContact O-N 3.45Å; A22-A24 VanDerWaalsContact C-N 3.28Å
23	G	86.9	Confident	88.7	Confident	54 Å²	54	52.9 Å²	52.9	56%	0.557	33%	0.33	S	S	*	.	T	Hydrogen-bonded Turn	trans	66.8	31.6	-173.6	0	0	0	0	0	113	A19 A20 V21 T118	A19-G23 PolarHBondContact O-N 3.49Å; A20-G23 PolarHBondContact O-N 3.31Å; V21-G23 VanDerWaalsContact C-N 3.32Å; G23-T118 PolarHBondContact O-OG1 2.83Å
24	A	89.4	Confident	89.6	Confident	23 Å²	23	50.7 Å²	50.7	19%	0.19	32%	0.317	C	S	.	.			trans	-126	174.7	179.5	0	0	0	0	0	110.4	A19 A20 A22 C116	A19-A24 CarbonylContact C-O 3.43Å; A19-A24 HydrophobicContact CB-CB 4.46Å; A19-A24 CarbonylContact O-C 3.52Å; A19-A24 WeakPolarHBondContact O-CA 3.31Å; A19-A24 PolarHBondContact O-N 2.96Å; A20-A24 PolarHBondContact N-O 3.48Å; A22-A24 VanDerWaalsContact C-N 3.28Å; A24-C116 HydrophobicContact CB-CB 3.87Å
25	D	89.9	Confident	90.3	Very high	49 Å²	49	46 Å²	46	26%	0.262	29%	0.292	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-116.9	166.2	167.8	-147.9	-34.6	0	0	0	109.5	L16 D69 C116 K117	L16-D25 WeakPolarHBondContact CD1-OD1 3.41Å; D25-D69 HydrophobicContact CB-CB 4.31Å; D25-D69 VanDerWaalsContact OD2-CA 3.26Å; D25-D69 WeakPolarHBondContact OD2-CA 3.21Å; D25-D69 WeakPolarHBondContact OD2-CB 3.34Å; D25-C116 CarbonylContact O-C 3.48Å; D25-C116 WeakPolarHBondContact O-CA 3.46Å; D25-C116 WeakPolarHBondContact O-CB 3.22Å; D25-K117 PolarHBondContact N-O 2.89Å; D25-K117 PolarHBondContact O-N 2.56Å
26	M	89.9	Confident	91.1	Very high	2 Å²	2	48 Å²	48	1%	0.01	31%	0.308	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-62.6	153.4	167.3	-70.3	-176.1	73.6	0	0	110.2	L16 S28 L53 L54 G55 F68	L16-M26 HydrophobicContact CB-SD 4.2Å; L16-M26 HydrophobicContact CD1-CG 4.48Å; M26-S28 PolarHBondContact O-N 2.91Å; M26-L53 HydrophobicContact CE-CD2 3.74Å; M26-L53 HydrophobicContact CE-CG 3.88Å; M26-L54 WeakPolarHBondContact CE-O 3.34Å; M26-G55 VanDerWaalsContact CB-CA 3.41Å; M26-F68 HydrophobicContact SD-CD2 3.91Å; M26-F68 HydrophobicContact SD-CE2 4.34Å
27	I	93.4	Very high	91.7	Very high	8 Å²	8	52 Å²	52	4%	0.041	32%	0.324	C	S	.	.			trans	-61.8	131.1	-176	-170.9	66.7	0	0	0	111.7	I29 I38 L54 G55 W67 L115 K117	I27-I29 HydrophobicContact CG1-CG1 4.24Å; I27-I38 HydrophobicContact CD1-CD1 3.72Å; I27-I38 HydrophobicContact CD1-CG1 4.35Å; I27-I38 HydrophobicContact CG1-CD1 3.87Å; I27-L54 HydrophobicContact CG2-CB 4.47Å; I27-L54 HydrophobicContact CG2-CD2 3.6Å; I27-G55 VanDerWaalsContact O-CA 3.27Å; I27-G55 WeakPolarHBondContact O-CA 3.37Å; I27-G55 PolarHBondContact O-N 3.45Å; I27-W67 VanDerWaalsContact O-CZ3 3.29Å; I27-W67 WeakPolarHBondContact O-CZ3 3.25Å; I27-L115 HydrophobicContact CB-CB 3.98Å; I27-L115 HydrophobicContact CB-CD2 4.15Å; I27-L115 HydrophobicContact CB-CG 3.99Å; I27-L115 VanDerWaalsContact CB-O 3.3Å; I27-L115 WeakPolarHBondContact CB-O 3.22Å; I27-L115 HydrophobicContact CD1-CD2 4Å; I27-L115 HydrophobicContact CD1-CG 4.25Å; I27-L115 HydrophobicContact CG1-CD2 3.8Å; I27-L115 HydrophobicContact CG1-CG 4.15Å; I27-L115 HydrophobicContact CG2-CB 3.86Å; I27-L115 HydrophobicContact CG2-CD2 4.41Å; I27-L115 HydrophobicContact CG2-CG 4.35Å; I27-L115 PolarHBondContact N-O 3.25Å; I27-K117 HydrophobicContact CD1-CB 3.8Å; I27-K117 HydrophobicContact CD1-CD 4.02Å; I27-K117 HydrophobicContact CD1-CG 4.39Å
28	S	94.6	Very high	92.2	Very high	1 Å²	1	49.9 Å²	49.9	1%	0.007	31%	0.305	C	S	.	.			trans	-119.7	145.3	166.3	57.1	0	0	0	0	109.6	M26 H30 D69 K117	M26-S28 PolarHBondContact O-N 2.91Å; S28-H30 PolarHBondContact OG-CE1 2.76Å; S28-D69 WeakPolarHBondContact CB-OD2 3.41Å; S28-D69 PolarHBondContact OG-OD2 2.84Å; S28-K117 PolarHBondContact O-NZ 2.85Å; S28-K117 PolarHBondContact OG-NZ 2.82Å
29	I	96.2	Very high	92.7	Very high	0 Å²	0	48.2 Å²	48.2	0%	0	29%	0.288	C	S	.	.			trans	-126.5	123	-176	-52.1	-177.5	0	0	0	109.1	I27 E34 N35 I38 L54 W67 F75 W101	I27-I29 HydrophobicContact CG1-CG1 4.24Å; I29-E34 WeakPolarHBondContact CA-OE2 3.34Å; I29-E34 HydrophobicContact CG2-CB 4.35Å; I29-E34 HydrophobicContact CG2-CG 4.22Å; I29-N35 HydrophobicContact CG2-CB 3.79Å; I29-I38 HydrophobicContact CD1-CD1 3.76Å; I29-I38 HydrophobicContact CG1-CD1 3.67Å; I29-L54 HydrophobicContact CD1-CD2 3.89Å; I29-W67 HydrophobicContact CB-CH2 4.26Å; I29-W67 HydrophobicContact CB-CZ2 4.34Å; I29-W67 HydrophobicContact CG1-CH2 4.35Å; I29-W67 WeakPolarHBondContact O-CZ2 3.33Å; I29-F75 HydrophobicContact CG2-CD1 3.86Å; I29-F75 HydrophobicContact CG2-CE1 4.04Å; I29-W101 HydrophobicContact CB-CH2 4.07Å; I29-W101 HydrophobicContact CB-CZ2 3.67Å; I29-W101 HydrophobicContact CD1-CZ2 3.87Å; I29-W101 HydrophobicContact CG1-CZ2 4.24Å; I29-W101 HydrophobicContact CG2-CH2 4.49Å; I29-W101 HydrophobicContact CG2-CZ2 3.84Å
30	H	96.2	Very high	93.2	Very high	48 Å²	48	51.7 Å²	51.7	22%	0.222	31%	0.307	C	S	.	.			trans	-116.9	-7.3	-170.1	-60.3	115.3	0	0	0	114.7	S28 E34 S71 T74 F75 K117	S28-H30 PolarHBondContact OG-CE1 2.76Å; H30-E34 PolarHBondContact N-OE2 2.91Å; H30-E34 IonicContact ND1-OE2 2.71Å; H30-S71 PolarHBondContact CE1-OG 2.88Å; H30-S71 VanDerWaalsContact NE2-CB 3.3Å; H30-S71 WeakPolarHBondContact NE2-CB 3.42Å; H30-S71 PolarHBondContact NE2-OG 3.31Å; H30-T74 PolarHBondContact O-OG1 3.47Å; H30-T74 VanDerWaalsContact O-OG1 3.06Å; H30-F75 WeakPolarHBondContact O-CB 3.24Å; H30-K117 PolarHBondContact ND1-NZ 3.35Å
31	N	96.9	Very high	93.5	Very high	64 Å²	64	50.3 Å²	50.3	34%	0.342	29%	0.292	S	S	.	.	S	Bend	trans	-161.2	169.2	176.6	53.7	58.8	0	0	0	112.6	E33 E34 N35	N31-E33 VanDerWaalsContact C-N 3.33Å; N31-E33 PolarHBondContact O-N 3.03Å; N31-E33 PolarHBondContact OD1-N 3.03Å; N31-E33 PolarHBondContact OD1-OE2 3.33Å; N31-E34 PolarHBondContact O-N 3.43Å; N31-E34 WeakPolarHBondContact OD1-CB 3.39Å; N31-E34 PolarHBondContact OD1-N 3.39Å; N31-N35 PolarHBondContact O-N 3.25Å; N31-N35 VanDerWaalsContact O-N 3.14Å
32	E	96.7	Very high	93.8	Very high	93 Å²	93	44.4 Å²	44.4	44%	0.435	26%	0.256	S	S	.	.	H	α-helix	trans	-61.3	-40.1	179.4	-175.7	84.8	-144.3	0	0	111.6	E34 N35 A36 F75 K77	E32-E34 PolarHBondContact O-N 3.03Å; E32-N35 PolarHBondContact O-N 3.31Å; E32-A36 WeakPolarHBondContact O-CB 3.42Å; E32-A36 PolarHBondContact O-N 2.75Å; E32-F75 HydrophobicContact CB-CE2 4.06Å; E32-F75 HydrophobicContact CB-CZ 4.3Å; E32-K77 IonicContact OE1-NZ 2.64Å; E32-K77 PolarHBondContact OE1-NZ 2.9Å
33	E	97	Very high	94.1	Very high	137 Å²	137	46.4 Å²	46.4	64%	0.64	25%	0.25	S	C	*	.	H	α-helix	trans	-64.1	-41.1	-178.6	-63.8	77.6	-168.4	0	0	111.8	N31 A36 F37	N31-E33 VanDerWaalsContact C-N 3.33Å; N31-E33 PolarHBondContact O-N 3.03Å; N31-E33 PolarHBondContact OD1-N 3.03Å; N31-E33 PolarHBondContact OD1-OE2 3.33Å; E33-A36 PolarHBondContact O-N 3.39Å; E33-F37 WeakPolarHBondContact O-CB 3.34Å; E33-F37 PolarHBondContact O-N 3.46Å
34	E	96.1	Very high	94.3	Very high	38 Å²	38	50.7 Å²	50.7	18%	0.178	25%	0.253	C	S	.	.	H	α-helix	trans	-65.2	-46.1	175	179.3	168.6	-145.3	0	0	110.9	I29 H30 N31 E32 A36 F37 I38 K117	I29-E34 WeakPolarHBondContact CA-OE2 3.34Å; I29-E34 HydrophobicContact CG2-CB 4.35Å; I29-E34 HydrophobicContact CG2-CG 4.22Å; H30-E34 PolarHBondContact N-OE2 2.91Å; H30-E34 IonicContact ND1-OE2 2.71Å; N31-E34 PolarHBondContact O-N 3.43Å; N31-E34 WeakPolarHBondContact OD1-CB 3.39Å; N31-E34 PolarHBondContact OD1-N 3.39Å; E32-E34 PolarHBondContact O-N 3.03Å; E34-A36 VanDerWaalsContact C-N 3.31Å; E34-A36 PolarHBondContact O-N 3.06Å; E34-F37 PolarHBondContact O-N 3.48Å; E34-I38 HydrophobicContact CG-CD1 3.79Å; E34-I38 HydrophobicContact CG-CG1 4.49Å; E34-I38 WeakPolarHBondContact O-CD1 3.26Å; E34-I38 VanDerWaalsContact O-CG1 3.25Å; E34-I38 WeakPolarHBondContact O-CG1 3.37Å; E34-I38 PolarHBondContact O-N 2.91Å; E34-K117 VanDerWaalsContact OE1-CE 3.28Å; E34-K117 WeakPolarHBondContact OE1-CE 3.17Å; E34-K117 IonicContact OE1-NZ 3.62Å; E34-K117 PolarHBondContact OE1-NZ 2.9Å; E34-K117 IonicContact OE2-NZ 2.7Å
35	N	96.7	Very high	94.4	Very high	2 Å²	2	56.9 Å²	56.9	1%	0.011	28%	0.278	C	S	.	.	H	α-helix	trans	-58.5	-44.6	176	-167.3	64.2	0	0	0	111.5	I29 N31 E32 I38 L39 F75 K77 G99 W101	I29-N35 HydrophobicContact CG2-CB 3.79Å; N31-N35 PolarHBondContact O-N 3.25Å; N31-N35 VanDerWaalsContact O-N 3.14Å; E32-N35 PolarHBondContact O-N 3.31Å; N35-I38 PolarHBondContact O-N 2.92Å; N35-L39 WeakPolarHBondContact O-CB 3.03Å; N35-L39 PolarHBondContact O-N 3.33Å; N35-F75 HydrophobicContact CB-CE1 3.91Å; N35-F75 HydrophobicContact CB-CZ 4.32Å; N35-K77 WeakPolarHBondContact ND2-CD 3.45Å; N35-G99 PolarHBondContact ND2-O 3.39Å; N35-W101 PolarHBondContact OD1-NE1 3.3Å
36	A	96.8	Very high	94.3	Very high	49 Å²	49	58.5 Å²	58.5	41%	0.405	28%	0.281	S	S	.	.	H	α-helix	trans	-65.5	-41.1	177.6	0	0	0	0	0	112.5	E32 E33 E34 L39 D40	E32-A36 WeakPolarHBondContact O-CB 3.42Å; E32-A36 PolarHBondContact O-N 2.75Å; E33-A36 PolarHBondContact O-N 3.39Å; E34-A36 VanDerWaalsContact C-N 3.31Å; E34-A36 PolarHBondContact O-N 3.06Å; A36-L39 PolarHBondContact O-N 2.98Å; A36-D40 WeakPolarHBondContact O-CB 3.3Å; A36-D40 PolarHBondContact O-N 3.27Å
37	F	96	Very high	94.2	Very high	136 Å²	136	68.2 Å²	68.2	60%	0.596	32%	0.323	S	S	*	.	H	α-helix	trans	-61.8	-45.6	175.5	168.1	-98.9	0	0	0	112.1	E33 E34 L39 D40 T41	E33-F37 WeakPolarHBondContact O-CB 3.34Å; E33-F37 PolarHBondContact O-N 3.46Å; E34-F37 PolarHBondContact O-N 3.48Å; F37-L39 VanDerWaalsContact C-N 3.34Å; F37-D40 PolarHBondContact O-N 3.39Å; F37-T41 WeakPolarHBondContact O-CB 3.44Å; F37-T41 PolarHBondContact O-N 3.01Å; F37-T41 PolarHBondContact O-OG1 3.3Å
38	I	94.9	Very high	93.9	Very high	8 Å²	8	69.6 Å²	69.6	4%	0.041	34%	0.339	C	S	.	.	H	α-helix	trans	-59.9	-48.5	176.5	-69.7	161.7	0	0	0	109.4	I27 I29 E34 N35 D40 T41 L42 L94 L115	I27-I38 HydrophobicContact CD1-CD1 3.72Å; I27-I38 HydrophobicContact CD1-CG1 4.35Å; I27-I38 HydrophobicContact CG1-CD1 3.87Å; I29-I38 HydrophobicContact CD1-CD1 3.76Å; I29-I38 HydrophobicContact CG1-CD1 3.67Å; E34-I38 HydrophobicContact CG-CD1 3.79Å; E34-I38 HydrophobicContact CG-CG1 4.49Å; E34-I38 WeakPolarHBondContact O-CD1 3.26Å; E34-I38 VanDerWaalsContact O-CG1 3.25Å; E34-I38 WeakPolarHBondContact O-CG1 3.37Å; E34-I38 PolarHBondContact O-N 2.91Å; N35-I38 PolarHBondContact O-N 2.92Å; I38-D40 PolarHBondContact O-N 2.97Å; I38-T41 PolarHBondContact O-N 3.47Å; I38-L42 HydrophobicContact CG2-CD1 3.61Å; I38-L42 HydrophobicContact CG2-CG 4.2Å; I38-L42 WeakPolarHBondContact O-CB 3.37Å; I38-L42 VanDerWaalsContact O-CG 3.25Å; I38-L42 WeakPolarHBondContact O-CG 3.25Å; I38-L42 PolarHBondContact O-N 3.25Å; I38-L94 HydrophobicContact CG2-CD2 3.72Å; I38-L115 HydrophobicContact CG1-CD2 4.36Å; I38-L115 HydrophobicContact CG2-CD2 3.45Å; I38-L115 VanDerWaalsContact CG2-CD2 3.45Å
39	L	95.2	Very high	93.5	Very high	23 Å²	23	71.4 Å²	71.4	12%	0.12	35%	0.351	C	S	.	.	H	α-helix	trans	-58.4	-47.7	179.9	-168.4	67.2	0	0	0	112.6	N35 A36 F37 T41 L42 K43 I96	N35-L39 WeakPolarHBondContact O-CB 3.03Å; N35-L39 PolarHBondContact O-N 3.33Å; A36-L39 PolarHBondContact O-N 2.98Å; F37-L39 VanDerWaalsContact C-N 3.34Å; L39-T41 VanDerWaalsContact C-N 3.34Å; L39-L42 PolarHBondContact O-N 2.95Å; L39-K43 HydrophobicContact CG-CD 4.25Å; L39-K43 WeakPolarHBondContact O-CB 3.16Å; L39-K43 VanDerWaalsContact O-CG 3.28Å; L39-K43 WeakPolarHBondContact O-CG 3.49Å; L39-K43 PolarHBondContact O-N 3.4Å; L39-I96 VanDerWaalsContact CD1-C 3.5Å; L39-I96 WeakPolarHBondContact CD1-O 3.22Å
40	D	95	Very high	93.2	Very high	73 Å²	73	74.3 Å²	74.3	39%	0.39	37%	0.366	S	S	.	.	H	α-helix	trans	-62.7	-41.5	177.4	176	73.3	0	0	0	111.8	A36 F37 I38 K44	A36-D40 WeakPolarHBondContact O-CB 3.3Å; A36-D40 PolarHBondContact O-N 3.27Å; F37-D40 PolarHBondContact O-N 3.39Å; I38-D40 PolarHBondContact O-N 2.97Å; D40-K44 WeakPolarHBondContact O-CG 3.34Å; D40-K44 PolarHBondContact O-N 3.17Å; D40-K44 WeakPolarHBondContact OD1-CE 3.08Å; D40-K44 IonicContact OD1-NZ 2.96Å; D40-K44 PolarHBondContact OD1-NZ 2.79Å; D40-K44 WeakPolarHBondContact OD2-CE 3.25Å; D40-K44 IonicContact OD2-NZ 2.86Å; D40-K44 PolarHBondContact OD2-NZ 3.43Å
41	T	93.9	Very high	92.8	Very high	36 Å²	36	74 Å²	74	22%	0.221	37%	0.366	C	S	.	.	H	α-helix	trans	-63.1	-47.4	177.4	-59.6	0	0	0	0	111.1	F37 I38 L39 K44 Q45	F37-T41 WeakPolarHBondContact O-CB 3.44Å; F37-T41 PolarHBondContact O-N 3.01Å; F37-T41 PolarHBondContact O-OG1 3.3Å; I38-T41 PolarHBondContact O-N 3.47Å; L39-T41 VanDerWaalsContact C-N 3.34Å; T41-K44 PolarHBondContact O-N 3.45Å; T41-Q45 WeakPolarHBondContact O-CB 3.42Å; T41-Q45 PolarHBondContact O-N 3.02Å
42	L	92.6	Very high	92.5	Very high	11 Å²	11	71.1 Å²	71.1	6%	0.058	35%	0.351	C	S	.	.	H	α-helix	trans	-63.3	-46.5	178.8	-69.3	171.2	0	0	0	111.3	I38 L39 K44 Q45 W46 I52 L94 I96	I38-L42 HydrophobicContact CG2-CD1 3.61Å; I38-L42 HydrophobicContact CG2-CG 4.2Å; I38-L42 WeakPolarHBondContact O-CB 3.37Å; I38-L42 VanDerWaalsContact O-CG 3.25Å; I38-L42 WeakPolarHBondContact O-CG 3.25Å; I38-L42 PolarHBondContact O-N 3.25Å; L39-L42 PolarHBondContact O-N 2.95Å; L42-K44 PolarHBondContact O-N 2.91Å; L42-K44 VanDerWaalsContact O-N 3.09Å; L42-Q45 PolarHBondContact O-N 2.97Å; L42-W46 HydrophobicContact CB-CB 4.2Å; L42-W46 HydrophobicContact CD2-CB 3.92Å; L42-W46 HydrophobicContact CD2-CG 4.17Å; L42-W46 WeakPolarHBondContact O-CA 3.37Å; L42-W46 WeakPolarHBondContact O-CB 3.35Å; L42-W46 PolarHBondContact O-N 3.41Å; L42-I52 HydrophobicContact CD1-CD1 3.64Å; L42-I52 HydrophobicContact CD2-CD1 3.45Å; L42-I52 VanDerWaalsContact CD2-CD1 3.45Å; L42-I52 HydrophobicContact CG-CD1 4.09Å; L42-L94 HydrophobicContact CD1-CD2 3.83Å; L42-I96 HydrophobicContact CB-CG2 4.42Å; L42-I96 HydrophobicContact CD1-CG2 4.04Å
43	K	91.4	Very high	92.2	Very high	119 Å²	119	67 Å²	67	52%	0.517	33%	0.332	S	S	.	.	H	α-helix	trans	-56.4	-29.8	177.4	-76.3	174.5	179.7	178	0	113.4	L39 I96 K97	L39-K43 HydrophobicContact CG-CD 4.25Å; L39-K43 WeakPolarHBondContact O-CB 3.16Å; L39-K43 VanDerWaalsContact O-CG 3.28Å; L39-K43 WeakPolarHBondContact O-CG 3.49Å; L39-K43 PolarHBondContact O-N 3.4Å; K43-I96 WeakPolarHBondContact CE-O 3.43Å; K43-K97 PolarHBondContact NZ-O 3.27Å
44	K	92.1	Very high	92	Very high	144 Å²	144	60.6 Å²	60.6	63%	0.626	30%	0.302	S	S	*	.	H	α-helix	trans	-87.5	-37.4	-179.5	-71.1	170	-176.7	165.9	0	113.6	D40 T41 L42	D40-K44 WeakPolarHBondContact O-CG 3.34Å; D40-K44 PolarHBondContact O-N 3.17Å; D40-K44 WeakPolarHBondContact OD1-CE 3.08Å; D40-K44 IonicContact OD1-NZ 2.96Å; D40-K44 PolarHBondContact OD1-NZ 2.79Å; D40-K44 WeakPolarHBondContact OD2-CE 3.25Å; D40-K44 IonicContact OD2-NZ 2.86Å; D40-K44 PolarHBondContact OD2-NZ 3.43Å; T41-K44 PolarHBondContact O-N 3.45Å; L42-K44 PolarHBondContact O-N 2.91Å; L42-K44 VanDerWaalsContact O-N 3.09Å
45	Q	90.3	Very high	91.8	Very high	154 Å²	154	58.8 Å²	58.8	72%	0.72	29%	0.294	S	S	*	.	H	α-helix	trans	-114.6	-29.2	-165.1	-60.3	-177.4	-0.1	0	0	113.6	T41 L42	T41-Q45 WeakPolarHBondContact O-CB 3.42Å; T41-Q45 PolarHBondContact O-N 3.02Å; L42-Q45 PolarHBondContact O-N 2.97Å
46	W	88.8	Confident	91.5	Very high	83 Å²	83	58.7 Å²	58.7	31%	0.314	29%	0.293	S	S	.	.			trans	-82	136.6	-176	-172	-111.3	0	0	0	111.1	L42 G48 P49 I52 G113	L42-W46 HydrophobicContact CB-CB 4.2Å; L42-W46 HydrophobicContact CD2-CB 3.92Å; L42-W46 HydrophobicContact CD2-CG 4.17Å; L42-W46 WeakPolarHBondContact O-CA 3.37Å; L42-W46 WeakPolarHBondContact O-CB 3.35Å; L42-W46 PolarHBondContact O-N 3.41Å; W46-G48 VanDerWaalsContact NE1-C 3.31Å; W46-G48 VanDerWaalsContact NE1-CA 3.3Å; W46-P49 PolarHBondContact NE1-O 2.74Å; W46-I52 HydrophobicContact CD2-CD1 4.04Å; W46-I52 HydrophobicContact CG-CD1 4.04Å; W46-I52 HydrophobicContact CZ2-CD1 4.45Å; W46-G113 VanDerWaalsContact CH2-CA 3.5Å
47	K	87.8	Confident	91	Very high	206 Å²	206	57.8 Å²	57.8	90%	0.896	28%	0.28	S	S	*	.			trans	-124.2	7.2	176.8	-62.3	-174.7	179	-179	0	112.9
48	G	85.9	Confident	90.7	Very high	37 Å²	37	53.4 Å²	53.4	38%	0.381	26%	0.26	S	S	.	.	S	Bend	trans	-86.3	-158.1	-179.6	0	0	0	0	0	112.2	W46	W46-G48 VanDerWaalsContact NE1-C 3.31Å; W46-G48 VanDerWaalsContact NE1-CA 3.3Å
49	P	86.9	Confident	90.3	Very high	39 Å²	39	53.7 Å²	53.7	25%	0.253	26%	0.262	S	S	.	.			trans	-61.7	158.5	-179.4	25.5	-35.2	0	0	0	112.6	W46 D51	W46-P49 PolarHBondContact NE1-O 2.74Å; P49-D51 PolarHBondContact O-N 3.31Å
50	D	89.2	Confident	89.8	Confident	60 Å²	60	55.1 Å²	55.1	32%	0.321	27%	0.271	S	S	.	.	S	Bend	trans	-66.9	-17	176.7	-77.4	-27.9	0	0	0	113	I96 K97	D50-I96 HydrophobicContact CB-CD1 4.45Å; D50-I96 HydrophobicContact CB-CG1 4.22Å; D50-I96 WeakPolarHBondContact O-CG1 3.25Å; D50-I96 WeakPolarHBondContact O-CG2 3.41Å; D50-I96 PolarHBondContact O-N 3.31Å; D50-K97 WeakPolarHBondContact OD1-CE 3.27Å; D50-K97 IonicContact OD1-NZ 3.71Å; D50-K97 WeakPolarHBondContact OD2-CE 3.3Å; D50-K97 IonicContact OD2-NZ 3.72Å; D50-K97 PolarHBondContact OD2-NZ 2.67Å
51	D	89.5	Confident	89.4	Confident	43 Å²	43	56.7 Å²	56.7	23%	0.23	28%	0.28	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-116	126.1	-178	-55.3	-57.6	0	0	0	109.6	P49 F93 L94 H95 K102	P49-D51 PolarHBondContact O-N 3.31Å; D51-F93 HydrophobicContact CB-CB 4.35Å; D51-L94 WeakPolarHBondContact CA-O 3.39Å; D51-H95 IonicContact OD1-CE1 2.65Å; D51-H95 IonicContact OD1-CG 2.67Å; D51-H95 IonicContact OD1-ND1 3.75Å; D51-H95 PolarHBondContact OD1-ND1 2.83Å; D51-K102 WeakPolarHBondContact OD1-CE 3.33Å; D51-K102 IonicContact OD1-NZ 2.71Å; D51-K102 PolarHBondContact OD1-NZ 2.92Å; D51-K102 WeakPolarHBondContact OD2-CE 3.4Å; D51-K102 IonicContact OD2-NZ 2.63Å; D51-K102 PolarHBondContact OD2-NZ 3.31Å
52	I	90.2	Very high	89	Confident	3 Å²	3	59.8 Å²	59.8	2%	0.015	30%	0.295	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-118.2	131.8	-177.8	-58.8	-168.8	0	0	0	109	L42 W46 L54 F93 L94 I96 L115	L42-I52 HydrophobicContact CD1-CD1 3.64Å; L42-I52 HydrophobicContact CD2-CD1 3.45Å; L42-I52 VanDerWaalsContact CD2-CD1 3.45Å; L42-I52 HydrophobicContact CG-CD1 4.09Å; W46-I52 HydrophobicContact CD2-CD1 4.04Å; W46-I52 HydrophobicContact CG-CD1 4.04Å; W46-I52 HydrophobicContact CZ2-CD1 4.45Å; I52-L54 PolarHBondContact O-N 3.48Å; I52-F93 CarbonylContact O-C 3.08Å; I52-F93 VanDerWaalsContact O-CA 3.24Å; I52-F93 WeakPolarHBondContact O-CA 3.46Å; I52-L94 PolarHBondContact N-O 3.09Å; I52-L94 PolarHBondContact O-N 3.26Å; I52-I96 HydrophobicContact CD1-CG2 3.87Å; I52-I96 HydrophobicContact CG1-CG2 3.96Å; I52-L115 HydrophobicContact CG2-CB 4.08Å
53	L	90.4	Very high	88.8	Confident	6 Å²	6	62.4 Å²	62.4	3%	0.031	32%	0.318	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-65.9	126.3	177.9	179.5	66.7	0	0	0	110.3	M26 C91 F93 V111 G113	M26-L53 HydrophobicContact CE-CD2 3.74Å; M26-L53 HydrophobicContact CE-CG 3.88Å; L53-C91 HydrophobicContact CD1-CB 3.79Å; L53-F93 HydrophobicContact CB-CD1 4.13Å; L53-F93 HydrophobicContact CB-CE1 3.9Å; L53-F93 HydrophobicContact CD1-CD1 4.18Å; L53-F93 HydrophobicContact CD1-CE1 3.57Å; L53-F93 HydrophobicContact CD1-CZ 3.84Å; L53-F93 HydrophobicContact CG-CE1 4.32Å; L53-V111 HydrophobicContact CB-CG1 3.5Å; L53-V111 VanDerWaalsContact CB-CG1 3.5Å; L53-V111 HydrophobicContact CD2-CG1 4.12Å; L53-V111 HydrophobicContact CG-CG1 4.38Å; L53-G113 PolarHBondContact N-O 2.85Å
54	L	92.4	Very high	88.6	Confident	2 Å²	2	58.8 Å²	58.8	1%	0.01	31%	0.308	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-83.3	158.5	171.1	-67.7	177.4	0	0	0	110.2	M26 I27 I29 I52 M56 W67 A92 L94 W101	M26-L54 WeakPolarHBondContact CE-O 3.34Å; I27-L54 HydrophobicContact CG2-CB 4.47Å; I27-L54 HydrophobicContact CG2-CD2 3.6Å; I29-L54 HydrophobicContact CD1-CD2 3.89Å; I52-L54 PolarHBondContact O-N 3.48Å; L54-M56 HydrophobicContact CB-CB 4.37Å; L54-M56 PolarHBondContact O-N 3.47Å; L54-W67 HydrophobicContact CB-CZ3 4.12Å; L54-W67 HydrophobicContact CD1-CH2 4.4Å; L54-A92 HydrophobicContact CB-CB 4.35Å; L54-A92 WeakPolarHBondContact CB-O 3.01Å; L54-A92 HydrophobicContact CD1-CB 4.15Å; L54-A92 PolarHBondContact N-O 3.01Å; L54-L94 HydrophobicContact CD1-CB 4.4Å; L54-L94 HydrophobicContact CD2-CB 3.91Å; L54-L94 HydrophobicContact CG-CB 4.14Å; L54-W101 HydrophobicContact CD1-CB 4.37Å; L54-W101 HydrophobicContact CD1-CD2 3.85Å; L54-W101 HydrophobicContact CD1-CE3 4.33Å; L54-W101 HydrophobicContact CD1-CG 3.83Å
55	G	91.8	Very high	88.5	Confident	1 Å²	1	53 Å²	53	1%	0.01	28%	0.283	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-73.4	41	172.4	0	0	0	0	0	113.7	M26 I27 W67 F68	M26-G55 VanDerWaalsContact CB-CA 3.41Å; I27-G55 VanDerWaalsContact O-CA 3.27Å; I27-G55 WeakPolarHBondContact O-CA 3.37Å; I27-G55 PolarHBondContact O-N 3.45Å; G55-W67 CarbonylContact O-C 3.52Å; G55-W67 WeakPolarHBondContact O-CA 3.28Å; G55-F68 VanDerWaalsContact C-CD2 3.5Å; G55-F68 WeakPolarHBondContact O-CD2 3.25Å; G55-F68 PolarHBondContact O-N 3.01Å
56	M	89.8	Confident	88.6	Confident	0 Å²	0	48.8 Å²	48.8	0%	0	26%	0.262	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-128	140.5	-172	-168.8	159.9	66	0	0	111.7	L54 F65 K66 W67 M73 W78 A92 W101	L54-M56 HydrophobicContact CB-CB 4.37Å; L54-M56 PolarHBondContact O-N 3.47Å; M56-F65 HydrophobicContact CE-CB 4.45Å; M56-F65 HydrophobicContact CE-CD1 4.31Å; M56-F65 HydrophobicContact CE-CG 4.49Å; M56-F65 HydrophobicContact CG-CB 3.99Å; M56-F65 HydrophobicContact CG-CD1 4.04Å; M56-F65 HydrophobicContact CG-CG 4.46Å; M56-F65 HydrophobicContact SD-CB 3.78Å; M56-F65 HydrophobicContact SD-CD1 4.44Å; M56-F65 HydrophobicContact SD-CG 4.4Å; M56-K66 VanDerWaalsContact CA-O 3.3Å; M56-K66 WeakPolarHBondContact CA-O 3.46Å; M56-K66 WeakPolarHBondContact CG-O 3.32Å; M56-W67 HydrophobicContact CB-CD2 4.46Å; M56-W67 HydrophobicContact CB-CE3 3.76Å; M56-W67 HydrophobicContact CB-CH2 4.38Å; M56-W67 HydrophobicContact CB-CZ3 3.72Å; M56-W67 HydrophobicContact CG-CE3 4.37Å; M56-W67 HydrophobicContact CG-CZ3 4.48Å; M56-W67 HydrophobicContact SD-CD2 4.4Å; M56-W67 HydrophobicContact SD-CE3 4.44Å; M56-W67 HydrophobicContact SD-CH2 4.08Å; M56-W67 HydrophobicContact SD-CZ2 4.06Å; M56-W67 HydrophobicContact SD-CZ3 4.29Å; M56-M73 HydrophobicContact CE-CE 4.06Å; M56-M73 HydrophobicContact SD-CE 3.44Å; M56-M73 WeakPolarHBondContact SD-CE 3.44Å; M56-M73 HydrophobicContact SD-SD 4.42Å; M56-W78 HydrophobicContact CE-CH2 3.18Å; M56-W78 HydrophobicContact CE-CZ2 3.35Å; M56-W78 HydrophobicContact CE-CZ3 4.1Å; M56-W78 HydrophobicContact SD-CZ2 4.34Å; M56-A92 HydrophobicContact CB-CB 4.11Å; M56-A92 HydrophobicContact CE-CB 3.17Å; M56-A92 HydrophobicContact CG-CB 4.45Å; M56-W101 HydrophobicContact CE-CE3 3.84Å; M56-W101 HydrophobicContact CE-CZ3 4.07Å
57	F	87.7	Confident	88.8	Confident	30 Å²	30	45 Å²	45	13%	0.132	25%	0.248	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-134.8	154.4	177.2	67.3	-82.7	0	0	0	110.4	D59 F65 K66 F68	F57-D59 HydrophobicContact CE2-CB 4.08Å; F57-F65 WeakPolarHBondContact O-CA 3.35Å; F57-K66 VanDerWaalsContact CD1-O 3.31Å; F57-K66 WeakPolarHBondContact CD1-O 3.49Å; F57-K66 HydrophobicContact CE1-CB 3.95Å; F57-K66 HydrophobicContact CE2-CB 4.35Å; F57-K66 HydrophobicContact CZ-CB 3.84Å; F57-K66 HydrophobicContact CZ-CD 4.38Å; F57-K66 PolarHBondContact N-O 2.77Å; F57-K66 PolarHBondContact O-N 3.06Å; F57-F68 HydrophobicContact CB-CE2 3.97Å; F57-F68 HydrophobicContact CB-CZ 3.81Å; F57-F68 AromaticContact CD1-CD1 3.85Å; F57-F68 HydrophobicContact CD1-CD1 3.85Å; F57-F68 AromaticContact CD1-CD2 3.98Å; F57-F68 HydrophobicContact CD1-CD2 3.98Å; F57-F68 AromaticContact CD1-CE1 3.59Å; F57-F68 HydrophobicContact CD1-CE1 3.59Å; F57-F68 AromaticContact CD1-CE2 3.7Å; F57-F68 HydrophobicContact CD1-CE2 3.7Å; F57-F68 HydrophobicContact CD1-CG 4.03Å; F57-F68 AromaticContact CD1-CZ 3.5Å; F57-F68 HydrophobicContact CD1-CZ 3.5Å; F57-F68 AromaticContact CE1-CD1 3.96Å; F57-F68 HydrophobicContact CE1-CD1 3.96Å; F57-F68 AromaticContact CE1-CE1 3.98Å; F57-F68 HydrophobicContact CE1-CE1 3.98Å; F57-F68 HydrophobicContact CE1-CG 4.32Å; F57-F68 HydrophobicContact CE1-CZ 4.35Å; F57-F68 HydrophobicContact CG-CE1 4.23Å; F57-F68 HydrophobicContact CG-CE2 4.24Å; F57-F68 AromaticContact CG-CZ 3.87Å; F57-F68 HydrophobicContact CG-CZ 3.87Å
58	Y	88.7	Confident	88.9	Confident	43 Å²	43	36.6 Å²	36.6	17%	0.169	21%	0.211	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-83.6	121.8	170.9	-171.5	-103.7	0	0	0	110.8	T60 A63 F65 L87 T90	Y58-T60 HydrophobicContact CD1-CG2 4.09Å; Y58-T60 HydrophobicContact CE1-CG2 4.23Å; Y58-A63 VanDerWaalsContact OH-CA 3.29Å; Y58-A63 WeakPolarHBondContact OH-CA 2.92Å; Y58-F65 HydrophobicContact CD2-CD1 4.31Å; Y58-F65 AromaticContact CD2-CD2 3.95Å; Y58-F65 HydrophobicContact CD2-CD2 3.95Å; Y58-F65 HydrophobicContact CD2-CE1 4.2Å; Y58-F65 AromaticContact CD2-CE2 3.81Å; Y58-F65 HydrophobicContact CD2-CE2 3.81Å; Y58-F65 HydrophobicContact CD2-CG 4.19Å; Y58-F65 AromaticContact CD2-CZ 3.94Å; Y58-F65 HydrophobicContact CD2-CZ 3.94Å; Y58-F65 HydrophobicContact CE2-CE2 4.41Å; Y58-L87 HydrophobicContact CD1-CB 3.77Å; Y58-L87 WeakPolarHBondContact CD1-O 3.44Å; Y58-L87 HydrophobicContact CD2-CB 4.22Å; Y58-L87 HydrophobicContact CD2-CD1 4.26Å; Y58-L87 HydrophobicContact CE1-CB 3.62Å; Y58-L87 HydrophobicContact CE1-CD1 4.43Å; Y58-L87 HydrophobicContact CE2-CB 4.09Å; Y58-L87 HydrophobicContact CE2-CD1 3.62Å; Y58-L87 HydrophobicContact CG-CB 4.06Å; Y58-T90 PolarHBondContact N-O 3.41Å
59	D	87.1	Confident	89	Confident	15 Å²	15	36.9 Å²	36.9	8%	0.08	20%	0.204	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-89.8	112.1	172.8	-170.4	-37.8	0	0	0	109.2	F57 D61 D62 A63 S64 K66	F57-D59 HydrophobicContact CE2-CB 4.08Å; D59-D61 VanDerWaalsContact C-N 3.31Å; D59-D61 PolarHBondContact O-N 3.46Å; D59-D61 WeakPolarHBondContact OD1-CB 3.45Å; D59-D61 PolarHBondContact OD1-N 3.27Å; D59-D62 PolarHBondContact OD1-N 3.15Å; D59-A63 VanDerWaalsContact O-CA 3.29Å; D59-A63 WeakPolarHBondContact O-CA 3.28Å; D59-A63 PolarHBondContact O-N 2.97Å; D59-S64 WeakPolarHBondContact CB-O 3.43Å; D59-S64 PolarHBondContact N-O 2.64Å; D59-S64 PolarHBondContact O-N 2.86Å; D59-S64 VanDerWaalsContact O-N 3.14Å; D59-K66 HydrophobicContact CB-CD 3.92Å; D59-K66 HydrophobicContact CB-CG 4.3Å; D59-K66 WeakPolarHBondContact OD2-CE 3.48Å; D59-K66 IonicContact OD2-NZ 2.61Å; D59-K66 PolarHBondContact OD2-NZ 3.14Å
60	T	85	Confident	89.1	Confident	53 Å²	53	42 Å²	42	33%	0.325	23%	0.229	S	C	.	.	T	Hydrogen-bonded Turn	trans	-71.4	-24.4	-178.8	53.5	0	0	0	0	113.5	Y58	Y58-T60 HydrophobicContact CD1-CG2 4.09Å; Y58-T60 HydrophobicContact CE1-CG2 4.23Å
61	D	85.7	Confident	89.2	Confident	105 Å²	105	40.8 Å²	40.8	56%	0.561	23%	0.225	S	C	*	.	T	Hydrogen-bonded Turn	trans	-76.2	-39.8	-179	-66	-32.1	0	0	0	110.2	D59	D59-D61 VanDerWaalsContact C-N 3.31Å; D59-D61 PolarHBondContact O-N 3.46Å; D59-D61 WeakPolarHBondContact OD1-CB 3.45Å; D59-D61 PolarHBondContact OD1-N 3.27Å
62	D	86.3	Confident	89.4	Confident	101 Å²	101	44.9 Å²	44.9	54%	0.54	25%	0.247	S	C	.	.	T	Hydrogen-bonded Turn	trans	-95.8	-0.5	178.7	-73.1	-5.6	0	0	0	113.4	D59 S64 K66	D59-D62 PolarHBondContact OD1-N 3.15Å; D62-S64 WeakPolarHBondContact CB-OG 3.46Å; D62-S64 PolarHBondContact O-N 2.78Å; D62-S64 PolarHBondContact O-OG 3.4Å; D62-K66 VanDerWaalsContact OD2-CE 3.25Å; D62-K66 WeakPolarHBondContact OD2-CE 3.36Å; D62-K66 IonicContact OD2-NZ 2.8Å; D62-K66 PolarHBondContact OD2-NZ 3.41Å
63	A	87.4	Confident	89.5	Confident	67 Å²	67	48.1 Å²	48.1	55%	0.554	26%	0.263	S	S	*	.	T	Hydrogen-bonded Turn	trans	46.4	45.9	-175.3	0	0	0	0	0	112.9	Y58 D59	Y58-A63 VanDerWaalsContact OH-CA 3.29Å; Y58-A63 WeakPolarHBondContact OH-CA 2.92Å; D59-A63 VanDerWaalsContact O-CA 3.29Å; D59-A63 WeakPolarHBondContact O-CA 3.28Å; D59-A63 PolarHBondContact O-N 2.97Å
64	S	88.2	Confident	89.7	Confident	42 Å²	42	52.5 Å²	52.5	29%	0.294	29%	0.29	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-149.4	154.1	-171.2	63.7	0	0	0	0	112.6	D59 D62	D59-S64 WeakPolarHBondContact CB-O 3.43Å; D59-S64 PolarHBondContact N-O 2.64Å; D59-S64 PolarHBondContact O-N 2.86Å; D59-S64 VanDerWaalsContact O-N 3.14Å; D62-S64 WeakPolarHBondContact CB-OG 3.46Å; D62-S64 PolarHBondContact O-N 2.78Å; D62-S64 PolarHBondContact O-OG 3.4Å
65	F	90.2	Very high	89.9	Confident	24 Å²	24	53.9 Å²	53.9	11%	0.105	30%	0.296	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-80.5	137.9	171.9	-76.5	-82.4	0	0	0	111	M56 F57 Y58 M73 W78 T90 K103	M56-F65 HydrophobicContact CE-CB 4.45Å; M56-F65 HydrophobicContact CE-CD1 4.31Å; M56-F65 HydrophobicContact CE-CG 4.49Å; M56-F65 HydrophobicContact CG-CB 3.99Å; M56-F65 HydrophobicContact CG-CD1 4.04Å; M56-F65 HydrophobicContact CG-CG 4.46Å; M56-F65 HydrophobicContact SD-CB 3.78Å; M56-F65 HydrophobicContact SD-CD1 4.44Å; M56-F65 HydrophobicContact SD-CG 4.4Å; F57-F65 WeakPolarHBondContact O-CA 3.35Å; Y58-F65 HydrophobicContact CD2-CD1 4.31Å; Y58-F65 AromaticContact CD2-CD2 3.95Å; Y58-F65 HydrophobicContact CD2-CD2 3.95Å; Y58-F65 HydrophobicContact CD2-CE1 4.2Å; Y58-F65 AromaticContact CD2-CE2 3.81Å; Y58-F65 HydrophobicContact CD2-CE2 3.81Å; Y58-F65 HydrophobicContact CD2-CG 4.19Å; Y58-F65 AromaticContact CD2-CZ 3.94Å; Y58-F65 HydrophobicContact CD2-CZ 3.94Å; Y58-F65 HydrophobicContact CE2-CE2 4.41Å; F65-M73 HydrophobicContact CB-CE 3.99Å; F65-M73 HydrophobicContact CB-SD 4.01Å; F65-W78 HydrophobicContact CB-CZ2 4.25Å; F65-W78 AromaticContact CD1-CH2 3.92Å; F65-W78 HydrophobicContact CD1-CH2 3.92Å; F65-W78 HydrophobicContact CD1-CZ2 4.18Å; F65-W78 AromaticContact CD2-CH2 3.93Å; F65-W78 HydrophobicContact CD2-CH2 3.93Å; F65-W78 AromaticContact CD2-CZ2 3.57Å; F65-W78 HydrophobicContact CD2-CZ2 3.57Å; F65-W78 AromaticContact CE1-CH2 3.87Å; F65-W78 HydrophobicContact CE1-CH2 3.87Å; F65-W78 HydrophobicContact CE1-CZ2 4.46Å; F65-W78 AromaticContact CE2-CH2 3.89Å; F65-W78 HydrophobicContact CE2-CH2 3.89Å; F65-W78 AromaticContact CE2-CZ2 3.9Å; F65-W78 HydrophobicContact CE2-CZ2 3.9Å; F65-W78 AromaticContact CG-CH2 3.95Å; F65-W78 HydrophobicContact CG-CH2 3.95Å; F65-W78 AromaticContact CG-CZ2 3.73Å; F65-W78 HydrophobicContact CG-CZ2 3.73Å; F65-W78 AromaticContact CZ-CH2 3.85Å; F65-W78 HydrophobicContact CZ-CH2 3.85Å; F65-W78 HydrophobicContact CZ-CZ2 4.33Å; F65-T90 HydrophobicContact CE1-CG2 4.05Å; F65-T90 HydrophobicContact CZ-CG2 3.92Å; F65-K103 HydrophobicContact CE2-CD 4.33Å; F65-K103 HydrophobicContact CE2-CG 4.41Å; F65-K103 HydrophobicContact CZ-CD 4.17Å; F65-K103 HydrophobicContact CZ-CG 3.93Å
66	K	91.9	Very high	90	Very high	64 Å²	64	58 Å²	58	28%	0.278	32%	0.318	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-134.3	146.8	-179.7	-66.9	-175.2	-178.5	171.2	0	112	M56 F57 D59 D62	M56-K66 VanDerWaalsContact CA-O 3.3Å; M56-K66 WeakPolarHBondContact CA-O 3.46Å; M56-K66 WeakPolarHBondContact CG-O 3.32Å; F57-K66 VanDerWaalsContact CD1-O 3.31Å; F57-K66 WeakPolarHBondContact CD1-O 3.49Å; F57-K66 HydrophobicContact CE1-CB 3.95Å; F57-K66 HydrophobicContact CE2-CB 4.35Å; F57-K66 HydrophobicContact CZ-CB 3.84Å; F57-K66 HydrophobicContact CZ-CD 4.38Å; F57-K66 PolarHBondContact N-O 2.77Å; F57-K66 PolarHBondContact O-N 3.06Å; D59-K66 HydrophobicContact CB-CD 3.92Å; D59-K66 HydrophobicContact CB-CG 4.3Å; D59-K66 WeakPolarHBondContact OD2-CE 3.48Å; D59-K66 IonicContact OD2-NZ 2.61Å; D59-K66 PolarHBondContact OD2-NZ 3.14Å; D62-K66 VanDerWaalsContact OD2-CE 3.25Å; D62-K66 WeakPolarHBondContact OD2-CE 3.36Å; D62-K66 IonicContact OD2-NZ 2.8Å; D62-K66 PolarHBondContact OD2-NZ 3.41Å
67	W	93.4	Very high	90.3	Very high	4 Å²	4	60.8 Å²	60.8	2%	0.015	33%	0.33	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-79.9	142.3	172.3	-61.7	113.8	0	0	0	111.6	I27 I29 L54 G55 M56 D69 N70 W101	I27-W67 VanDerWaalsContact O-CZ3 3.29Å; I27-W67 WeakPolarHBondContact O-CZ3 3.25Å; I29-W67 HydrophobicContact CB-CH2 4.26Å; I29-W67 HydrophobicContact CB-CZ2 4.34Å; I29-W67 HydrophobicContact CG1-CH2 4.35Å; I29-W67 WeakPolarHBondContact O-CZ2 3.33Å; L54-W67 HydrophobicContact CB-CZ3 4.12Å; L54-W67 HydrophobicContact CD1-CH2 4.4Å; G55-W67 CarbonylContact O-C 3.52Å; G55-W67 WeakPolarHBondContact O-CA 3.28Å; M56-W67 HydrophobicContact CB-CD2 4.46Å; M56-W67 HydrophobicContact CB-CE3 3.76Å; M56-W67 HydrophobicContact CB-CH2 4.38Å; M56-W67 HydrophobicContact CB-CZ3 3.72Å; M56-W67 HydrophobicContact CG-CE3 4.37Å; M56-W67 HydrophobicContact CG-CZ3 4.48Å; M56-W67 HydrophobicContact SD-CD2 4.4Å; M56-W67 HydrophobicContact SD-CE3 4.44Å; M56-W67 HydrophobicContact SD-CH2 4.08Å; M56-W67 HydrophobicContact SD-CZ2 4.06Å; M56-W67 HydrophobicContact SD-CZ3 4.29Å; W67-D69 WeakPolarHBondContact CB-OD1 3.21Å; W67-D69 PolarHBondContact O-N 2.97Å; W67-N70 PolarHBondContact O-N 2.99Å; W67-W101 AromaticContact CH2-CH2 3.96Å; W67-W101 HydrophobicContact CH2-CH2 3.96Å; W67-W101 HydrophobicContact CH2-CZ3 4.12Å; W67-W101 AromaticContact CZ2-CH2 3.71Å; W67-W101 HydrophobicContact CZ2-CH2 3.71Å; W67-W101 AromaticContact CZ2-CZ3 3.94Å; W67-W101 HydrophobicContact CZ2-CZ3 3.94Å
68	F	88.6	Confident	90.6	Very high	29 Å²	29	62.3 Å²	62.3	13%	0.127	34%	0.335	C	S	.	.	T	Hydrogen-bonded Turn	trans	-65.8	-26.4	173.7	-80.2	-71.2	0	0	0	113.2	L9 P12 L16 M26 G55 F57 N70	L9-F68 HydrophobicContact CD2-CZ 4.44Å; P12-F68 HydrophobicContact CB-CE2 3.66Å; P12-F68 HydrophobicContact CB-CZ 3.52Å; L16-F68 HydrophobicContact CD1-CB 4.08Å; L16-F68 HydrophobicContact CD2-CD1 4.1Å; M26-F68 HydrophobicContact SD-CD2 3.91Å; M26-F68 HydrophobicContact SD-CE2 4.34Å; G55-F68 VanDerWaalsContact C-CD2 3.5Å; G55-F68 WeakPolarHBondContact O-CD2 3.25Å; G55-F68 PolarHBondContact O-N 3.01Å; F57-F68 HydrophobicContact CB-CE2 3.97Å; F57-F68 HydrophobicContact CB-CZ 3.81Å; F57-F68 AromaticContact CD1-CD1 3.85Å; F57-F68 HydrophobicContact CD1-CD1 3.85Å; F57-F68 AromaticContact CD1-CD2 3.98Å; F57-F68 HydrophobicContact CD1-CD2 3.98Å; F57-F68 AromaticContact CD1-CE1 3.59Å; F57-F68 HydrophobicContact CD1-CE1 3.59Å; F57-F68 AromaticContact CD1-CE2 3.7Å; F57-F68 HydrophobicContact CD1-CE2 3.7Å; F57-F68 HydrophobicContact CD1-CG 4.03Å; F57-F68 AromaticContact CD1-CZ 3.5Å; F57-F68 HydrophobicContact CD1-CZ 3.5Å; F57-F68 AromaticContact CE1-CD1 3.96Å; F57-F68 HydrophobicContact CE1-CD1 3.96Å; F57-F68 AromaticContact CE1-CE1 3.98Å; F57-F68 HydrophobicContact CE1-CE1 3.98Å; F57-F68 HydrophobicContact CE1-CG 4.32Å; F57-F68 HydrophobicContact CE1-CZ 4.35Å; F57-F68 HydrophobicContact CG-CE1 4.23Å; F57-F68 HydrophobicContact CG-CE2 4.24Å; F57-F68 AromaticContact CG-CZ 3.87Å; F57-F68 HydrophobicContact CG-CZ 3.87Å; F68-N70 PolarHBondContact O-N 2.7Å; F68-N70 PolarHBondContact O-ND2 2.91Å
69	D	88	Confident	90.7	Very high	43 Å²	43	62.7 Å²	62.7	23%	0.23	34%	0.342	C	S	.	.	T	Hydrogen-bonded Turn	trans	-75.4	0.9	176.5	76	-11	0	0	0	113.3	D25 S28 W67 S71	D25-D69 HydrophobicContact CB-CB 4.31Å; D25-D69 VanDerWaalsContact OD2-CA 3.26Å; D25-D69 WeakPolarHBondContact OD2-CA 3.21Å; D25-D69 WeakPolarHBondContact OD2-CB 3.34Å; S28-D69 WeakPolarHBondContact CB-OD2 3.41Å; S28-D69 PolarHBondContact OG-OD2 2.84Å; W67-D69 WeakPolarHBondContact CB-OD1 3.21Å; W67-D69 PolarHBondContact O-N 2.97Å; D69-S71 VanDerWaalsContact CG-OG 3.26Å; D69-S71 PolarHBondContact O-N 3.4Å; D69-S71 WeakPolarHBondContact OD1-CB 3.18Å; D69-S71 PolarHBondContact OD1-N 3.46Å; D69-S71 PolarHBondContact OD1-OG 2.92Å; D69-S71 PolarHBondContact OD2-OG 3.25Å
70	N	89.4	Confident	90.5	Very high	147 Å²	147	70.3 Å²	70.3	79%	0.786	38%	0.383	S	S	*	.			trans	61.8	16.6	-177.5	-48.9	-79.4	0	0	0	114.6	W67 F68	W67-N70 PolarHBondContact O-N 2.99Å; F68-N70 PolarHBondContact O-N 2.7Å; F68-N70 PolarHBondContact O-ND2 2.91Å
71	S	91.9	Very high	89.9	Confident	34 Å²	34	70.7 Å²	70.7	24%	0.238	38%	0.381	C	S	.	.			trans	-74.6	157.2	171.5	67.6	0	0	0	0	111.5	H30 D69	H30-S71 PolarHBondContact CE1-OG 2.88Å; H30-S71 VanDerWaalsContact NE2-CB 3.3Å; H30-S71 WeakPolarHBondContact NE2-CB 3.42Å; H30-S71 PolarHBondContact NE2-OG 3.31Å; D69-S71 VanDerWaalsContact CG-OG 3.26Å; D69-S71 PolarHBondContact O-N 3.4Å; D69-S71 WeakPolarHBondContact OD1-CB 3.18Å; D69-S71 PolarHBondContact OD1-N 3.46Å; D69-S71 PolarHBondContact OD1-OG 2.92Å; D69-S71 PolarHBondContact OD2-OG 3.25Å
72	N	92.8	Very high	89	Confident	130 Å²	130	71.8 Å²	71.8	70%	0.695	39%	0.387	S	S	*	.			trans	-73.1	144.3	177.6	-68.7	-3.6	0	0	0	110.9	T74	N72-T74 HydrophobicContact CB-CG2 4.19Å; N72-T74 PolarHBondContact O-N 3.47Å; N72-T74 VanDerWaalsContact O-N 3.09Å
73	M	92.8	Very high	88	Confident	71 Å²	71	72.9 Å²	72.9	35%	0.35	39%	0.393	S	S	.	.			trans	-76.3	94.6	170.8	-165.3	171.5	-156.5	0	0	109.5	M56 F65 D76 W78 W101	M56-M73 HydrophobicContact CE-CE 4.06Å; M56-M73 HydrophobicContact SD-CE 3.44Å; M56-M73 WeakPolarHBondContact SD-CE 3.44Å; M56-M73 HydrophobicContact SD-SD 4.42Å; F65-M73 HydrophobicContact CB-CE 3.99Å; F65-M73 HydrophobicContact CB-SD 4.01Å; M73-D76 HydrophobicContact CE-CB 4.11Å; M73-W78 HydrophobicContact CE-CZ2 3.9Å; M73-W101 HydrophobicContact CE-CZ3 4.13Å
74	T	94.8	Very high	86.7	Confident	97 Å²	97	77.3 Å²	77.3	60%	0.595	41%	0.407	S	S	*	.			trans	-102.4	-10.5	-178.7	55.8	0	0	0	0	113.6	H30 N72	H30-T74 PolarHBondContact O-OG1 3.47Å; H30-T74 VanDerWaalsContact O-OG1 3.06Å; N72-T74 HydrophobicContact CB-CG2 4.19Å; N72-T74 PolarHBondContact O-N 3.47Å; N72-T74 VanDerWaalsContact O-N 3.09Å
75	F	96.1	Very high	85.6	Confident	31 Å²	31	80.4 Å²	80.4	14%	0.136	42%	0.417	C	S	.	.			trans	-149.5	144.6	-176	175	-99.9	0	0	0	108.8	I29 H30 E32 N35 K77 W101	I29-F75 HydrophobicContact CG2-CD1 3.86Å; I29-F75 HydrophobicContact CG2-CE1 4.04Å; H30-F75 WeakPolarHBondContact O-CB 3.24Å; E32-F75 HydrophobicContact CB-CE2 4.06Å; E32-F75 HydrophobicContact CB-CZ 4.3Å; N35-F75 HydrophobicContact CB-CE1 3.91Å; N35-F75 HydrophobicContact CB-CZ 4.32Å; F75-K77 HydrophobicContact CE1-CB 4.1Å; F75-K77 HydrophobicContact CZ-CB 4.03Å; F75-K77 HydrophobicContact CZ-CD 4.26Å; F75-W101 AromaticContact CD1-CH2 3.9Å; F75-W101 HydrophobicContact CD1-CH2 3.9Å; F75-W101 AromaticContact CD1-CZ2 3.8Å; F75-W101 HydrophobicContact CD1-CZ2 3.8Å; F75-W101 HydrophobicContact CE1-CH2 4.34Å; F75-W101 AromaticContact CE1-CZ2 3.82Å; F75-W101 HydrophobicContact CE1-CZ2 3.82Å; F75-W101 WeakPolarHBondContact O-CH2 3.24Å
76	D	94.4	Very high	84.9	Confident	89 Å²	89	86.4 Å²	86.4	48%	0.476	45%	0.45	S	S	.	.			trans	-147.8	154.2	172.4	65.6	-88.7	0	0	0	110.3	M73 W78 W101	M73-D76 HydrophobicContact CE-CB 4.11Å; D76-W78 VanDerWaalsContact OD2-CD1 3.24Å; D76-W101 VanDerWaalsContact CA-CZ3 3.5Å; D76-W101 HydrophobicContact CB-CE3 4.34Å; D76-W101 HydrophobicContact CB-CH2 4.5Å; D76-W101 HydrophobicContact CB-CZ3 3.9Å
77	K	95.6	Very high	84.3	Confident	58 Å²	58	85.1 Å²	85.1	25%	0.252	45%	0.446	S	S	.	.			trans	-142.9	51.8	178.3	-161.4	168	-175.2	167	0	110.1	E32 N35 F75 E100 W101	E32-K77 IonicContact OE1-NZ 2.64Å; E32-K77 PolarHBondContact OE1-NZ 2.9Å; N35-K77 WeakPolarHBondContact ND2-CD 3.45Å; F75-K77 HydrophobicContact CE1-CB 4.1Å; F75-K77 HydrophobicContact CZ-CB 4.03Å; F75-K77 HydrophobicContact CZ-CD 4.26Å; K77-E100 HydrophobicContact CG-CG 4.33Å; K77-E100 CarbonylContact O-C 3.55Å; K77-E100 VanDerWaalsContact O-CA 3.25Å; K77-E100 WeakPolarHBondContact O-CA 3.13Å; K77-W101 PolarHBondContact O-N 3.33Å
78	W	93.6	Very high	83.6	Confident	61 Å²	61	89 Å²	89	23%	0.231	47%	0.47	C	S	.	.	B	Isolated β-bridge	trans	-61.3	141.3	-179.5	-62.9	112.1	0	0	0	111.3	M56 F65 M73 D76 A92 W101 K103	M56-W78 HydrophobicContact CE-CH2 3.18Å; M56-W78 HydrophobicContact CE-CZ2 3.35Å; M56-W78 HydrophobicContact CE-CZ3 4.1Å; M56-W78 HydrophobicContact SD-CZ2 4.34Å; F65-W78 HydrophobicContact CB-CZ2 4.25Å; F65-W78 AromaticContact CD1-CH2 3.92Å; F65-W78 HydrophobicContact CD1-CH2 3.92Å; F65-W78 HydrophobicContact CD1-CZ2 4.18Å; F65-W78 AromaticContact CD2-CH2 3.93Å; F65-W78 HydrophobicContact CD2-CH2 3.93Å; F65-W78 AromaticContact CD2-CZ2 3.57Å; F65-W78 HydrophobicContact CD2-CZ2 3.57Å; F65-W78 AromaticContact CE1-CH2 3.87Å; F65-W78 HydrophobicContact CE1-CH2 3.87Å; F65-W78 HydrophobicContact CE1-CZ2 4.46Å; F65-W78 AromaticContact CE2-CH2 3.89Å; F65-W78 HydrophobicContact CE2-CH2 3.89Å; F65-W78 AromaticContact CE2-CZ2 3.9Å; F65-W78 HydrophobicContact CE2-CZ2 3.9Å; F65-W78 AromaticContact CG-CH2 3.95Å; F65-W78 HydrophobicContact CG-CH2 3.95Å; F65-W78 AromaticContact CG-CZ2 3.73Å; F65-W78 HydrophobicContact CG-CZ2 3.73Å; F65-W78 AromaticContact CZ-CH2 3.85Å; F65-W78 HydrophobicContact CZ-CH2 3.85Å; F65-W78 HydrophobicContact CZ-CZ2 4.33Å; M73-W78 HydrophobicContact CE-CZ2 3.9Å; D76-W78 VanDerWaalsContact OD2-CD1 3.24Å; W78-A92 HydrophobicContact CH2-CB 3.75Å; W78-A92 HydrophobicContact CZ3-CB 3.89Å; W78-W101 CarbonylContact C-O 3.5Å; W78-W101 WeakPolarHBondContact CA-O 3.43Å; W78-W101 HydrophobicContact CD2-CB 4.34Å; W78-W101 HydrophobicContact CD2-CE3 4.49Å; W78-W101 HydrophobicContact CE3-CB 3.71Å; W78-W101 HydrophobicContact CZ2-CE3 4.48Å; W78-W101 HydrophobicContact CZ3-CB 4.03Å; W78-K103 HydrophobicContact CE3-CG 4.19Å; W78-K103 HydrophobicContact CH2-CG 4.33Å; W78-K103 HydrophobicContact CZ3-CG 3.79Å
79	T	91.8	Very high	83.2	Confident	51 Å²	51	89.4 Å²	89.4	31%	0.313	47%	0.473	S	S	.	.			trans	-70.3	148.4	163.8	-171.8	0	0	0	0	109.2	Q81 W101 K102	T79-Q81 HydrophobicContact CG2-CB 4.1Å; T79-Q81 PolarHBondContact O-N 3.44Å; T79-W101 WeakPolarHBondContact CG2-O 3.17Å; T79-W101 PolarHBondContact N-O 2.99Å; T79-K102 HydrophobicContact CG2-CB 3.98Å
80	D	82.1	Confident	83.1	Confident	175 Å²	175	88 Å²	88	94%	0.936	47%	0.466	S	S	*	.			trans	-63.4	97.4	168.4	-65.4	-33.2	0	0	0	108.4
81	Q	73.6	Confident	83.1	Confident	61 Å²	61	81 Å²	81	29%	0.285	43%	0.429	S	S	.	.			trans	-126.5	145.7	175.5	-175.3	175.9	-5.1	0	0	108	T79 D83	T79-Q81 HydrophobicContact CG2-CB 4.1Å; T79-Q81 PolarHBondContact O-N 3.44Å; Q81-D83 PolarHBondContact O-N 2.95Å
82	D	66.6	Low	83	Confident	128 Å²	128	79.3 Å²	79.3	68%	0.684	42%	0.417	S	S	*	.			trans	-57.6	127.2	-178.8	-64.7	-41.1	0	0	0	110.8	D84	D82-D84 PolarHBondContact O-N 3.37Å
83	D	65.3	Low	83	Confident	124 Å²	124	73.8 Å²	73.8	66%	0.663	39%	0.387	S	S	*	.	T	Hydrogen-bonded Turn	trans	-78.5	4.5	-179.9	-75.1	-41.6	0	0	0	113.2	Q81 E85 K103	Q81-D83 PolarHBondContact O-N 2.95Å; D83-E85 VanDerWaalsContact C-N 3.3Å; D83-E85 PolarHBondContact O-N 3.46Å; D83-K103 IonicContact OD1-NZ 3.8Å; D83-K103 PolarHBondContact OD1-NZ 3.05Å
84	D	59.1	Low	83	Confident	160 Å²	160	70.5 Å²	70.5	86%	0.856	37%	0.371	S	S	*	.	T	Hydrogen-bonded Turn	trans	-84.4	4.6	-175.6	-71.5	-41.9	0	0	0	114	D82	D82-D84 PolarHBondContact O-N 3.37Å
85	E	66.8	Low	82.9	Confident	107 Å²	107	68.1 Å²	68.1	50%	0.5	35%	0.353	S	S	.	.	S	Bend	trans	-86.3	142.8	179.5	-67.9	-176	-174.7	0	0	112.6	D83 L87	D83-E85 VanDerWaalsContact C-N 3.3Å; D83-E85 PolarHBondContact O-N 3.46Å; E85-L87 PolarHBondContact O-N 2.97Å
86	D	73.9	Confident	82.7	Confident	151 Å²	151	67.6 Å²	67.6	81%	0.807	35%	0.351	S	S	*	.			trans	-59.9	104.8	171.1	-78	-39.9	0	0	0	109.8	V88	D86-V88 PolarHBondContact O-N 2.81Å; D86-V88 VanDerWaalsContact O-N 3.11Å
87	L	80.1	Confident	82.5	Confident	37 Å²	37	69.3 Å²	69.3	19%	0.194	36%	0.355	C	S	.	.			trans	-73.9	2	-177.6	-59.4	-179.6	0	0	0	113.9	Y58 E85 D89 T90 K103	Y58-L87 HydrophobicContact CD1-CB 3.77Å; Y58-L87 WeakPolarHBondContact CD1-O 3.44Å; Y58-L87 HydrophobicContact CD2-CB 4.22Å; Y58-L87 HydrophobicContact CD2-CD1 4.26Å; Y58-L87 HydrophobicContact CE1-CB 3.62Å; Y58-L87 HydrophobicContact CE1-CD1 4.43Å; Y58-L87 HydrophobicContact CE2-CB 4.09Å; Y58-L87 HydrophobicContact CE2-CD1 3.62Å; Y58-L87 HydrophobicContact CG-CB 4.06Å; E85-L87 PolarHBondContact O-N 2.97Å; L87-D89 PolarHBondContact O-N 2.87Å; L87-T90 VanDerWaalsContact C-OG1 3.3Å; L87-T90 WeakPolarHBondContact CA-OG1 3.3Å; L87-T90 VanDerWaalsContact O-CB 3.24Å; L87-T90 WeakPolarHBondContact O-CB 3.29Å; L87-T90 PolarHBondContact O-N 3.22Å; L87-T90 PolarHBondContact O-OG1 3.45Å; L87-T90 VanDerWaalsContact O-OG1 3.13Å; L87-K103 HydrophobicContact CD2-CD 3.92Å
88	V	79.2	Confident	82.4	Confident	85 Å²	85	70 Å²	70	52%	0.515	36%	0.364	S	S	.	.	T	Hydrogen-bonded Turn	trans	-60.2	135.9	173.6	-177.5	0	0	0	0	108.1	D86 T90	D86-V88 PolarHBondContact O-N 2.81Å; D86-V88 VanDerWaalsContact O-N 3.11Å; V88-T90 PolarHBondContact O-N 2.94Å; V88-T90 VanDerWaalsContact O-N 3.16Å; V88-T90 PolarHBondContact O-OG1 3.43Å
89	D	79.9	Confident	82.4	Confident	37 Å²	37	67 Å²	67	20%	0.198	35%	0.353	C	S	.	.	T	Hydrogen-bonded Turn	trans	60.4	29	175.7	-60.1	-21.4	0	0	0	113.9	A5 A8 L87 N105 C106	A5-D89 WeakPolarHBondContact CB-OD2 3.13Å; A5-D89 PolarHBondContact N-OD1 2.92Å; A8-D89 HydrophobicContact CB-CB 3.26Å; A8-D89 WeakPolarHBondContact CB-OD1 3.08Å; A8-D89 WeakPolarHBondContact CB-OD2 3.42Å; L87-D89 PolarHBondContact O-N 2.87Å; D89-N105 PolarHBondContact O-OD1 2.97Å; D89-C106 PolarHBondContact O-N 3.21Å; D89-C106 PolarHBondContact O-SG 2.84Å
90	T	86.3	Confident	82.6	Confident	13 Å²	13	68 Å²	68	8%	0.08	35%	0.353	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-94.6	130.6	-179.9	-63.6	0	0	0	0	112.3	Y58 F65 L87 V88 K103	Y58-T90 PolarHBondContact N-O 3.41Å; F65-T90 HydrophobicContact CE1-CG2 4.05Å; F65-T90 HydrophobicContact CZ-CG2 3.92Å; L87-T90 VanDerWaalsContact C-OG1 3.3Å; L87-T90 WeakPolarHBondContact CA-OG1 3.3Å; L87-T90 VanDerWaalsContact O-CB 3.24Å; L87-T90 WeakPolarHBondContact O-CB 3.29Å; L87-T90 PolarHBondContact O-N 3.22Å; L87-T90 PolarHBondContact O-OG1 3.45Å; L87-T90 VanDerWaalsContact O-OG1 3.13Å; V88-T90 PolarHBondContact O-N 2.94Å; V88-T90 VanDerWaalsContact O-N 3.16Å; V88-T90 PolarHBondContact O-OG1 3.43Å; T90-K103 HydrophobicContact CG2-CB 3.8Å; T90-K103 HydrophobicContact CG2-CG 4.41Å
91	C	88.6	Confident	83.2	Confident	0 Å²	0	59.7 Å²	59.7	0%	0	31%	0.309	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-111	167.4	172.3	-79.6	0	0	0	0	110.2	P12 L53 F93 G104 C106	P12-C91 WeakPolarHBondContact CG-SG 3.19Å; L53-C91 HydrophobicContact CD1-CB 3.79Å; C91-F93 HydrophobicContact CB-CE2 4.04Å; C91-F93 HydrophobicContact CB-CZ 4.17Å; C91-G104 PolarHBondContact N-O 3.27Å; C91-G104 PolarHBondContact O-N 3.44Å; C91-G104 VanDerWaalsContact O-O 3.09Å; C91-C106 VanDerWaalsContact CA-SG 3.59Å; C91-C106 HydrophobicContact CB-CB 4.04Å; C91-C106 WeakPolarHBondContact CB-SG 3.39Å; C91-C106 PolarHBondContact N-SG 3.23Å; C91-C106 WeakPolarHBondContact SG-CB 3.36Å; C91-C106 CovalentContact SG-SG 2.03Å; C91-C106 PolarHBondContact SG-SG 2.55Å
92	A	90.6	Very high	84	Confident	0 Å²	0	59.9 Å²	59.9	0%	0	31%	0.309	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-112.6	142.3	176.7	0	0	0	0	0	112.2	L54 M56 W78 K102	L54-A92 HydrophobicContact CB-CB 4.35Å; L54-A92 WeakPolarHBondContact CB-O 3.01Å; L54-A92 HydrophobicContact CD1-CB 4.15Å; L54-A92 PolarHBondContact N-O 3.01Å; M56-A92 HydrophobicContact CB-CB 4.11Å; M56-A92 HydrophobicContact CE-CB 3.17Å; M56-A92 HydrophobicContact CG-CB 4.45Å; W78-A92 HydrophobicContact CH2-CB 3.75Å; W78-A92 HydrophobicContact CZ3-CB 3.89Å; A92-K102 WeakPolarHBondContact CA-O 3.42Å
93	F	91.2	Very high	85.1	Confident	14 Å²	14	55.3 Å²	55.3	6%	0.061	28%	0.283	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-126.2	133.6	-179.6	-59.1	-88.4	0	0	0	110.4	D51 I52 L53 C91 W101 K102 V111	D51-F93 HydrophobicContact CB-CB 4.35Å; I52-F93 CarbonylContact O-C 3.08Å; I52-F93 VanDerWaalsContact O-CA 3.24Å; I52-F93 WeakPolarHBondContact O-CA 3.46Å; L53-F93 HydrophobicContact CB-CD1 4.13Å; L53-F93 HydrophobicContact CB-CE1 3.9Å; L53-F93 HydrophobicContact CD1-CD1 4.18Å; L53-F93 HydrophobicContact CD1-CE1 3.57Å; L53-F93 HydrophobicContact CD1-CZ 3.84Å; L53-F93 HydrophobicContact CG-CE1 4.32Å; C91-F93 HydrophobicContact CB-CE2 4.04Å; C91-F93 HydrophobicContact CB-CZ 4.17Å; F93-W101 CarbonylContact O-C 3.49Å; F93-W101 VanDerWaalsContact O-CA 3.25Å; F93-W101 WeakPolarHBondContact O-CA 3.47Å; F93-K102 HydrophobicContact CB-CD 4.48Å; F93-K102 HydrophobicContact CB-CG 3.79Å; F93-K102 PolarHBondContact N-O 2.8Å; F93-K102 PolarHBondContact O-N 2.88Å; F93-V111 HydrophobicContact CD1-CG2 4.38Å; F93-V111 HydrophobicContact CE1-CB 4.5Å; F93-V111 HydrophobicContact CE1-CG1 4.3Å; F93-V111 HydrophobicContact CE1-CG2 3.37Å; F93-V111 HydrophobicContact CZ-CG2 3.91Å
94	L	93.4	Very high	86.1	Confident	2 Å²	2	50.3 Å²	50.3	1%	0.01	26%	0.261	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-83	123.2	170.1	176.3	67.4	0	0	0	109.3	I38 L42 D51 I52 L54	I38-L94 HydrophobicContact CG2-CD2 3.72Å; L42-L94 HydrophobicContact CD1-CD2 3.83Å; D51-L94 WeakPolarHBondContact CA-O 3.39Å; I52-L94 PolarHBondContact N-O 3.09Å; I52-L94 PolarHBondContact O-N 3.26Å; L54-L94 HydrophobicContact CD1-CB 4.4Å; L54-L94 HydrophobicContact CD2-CB 3.91Å; L54-L94 HydrophobicContact CG-CB 4.14Å
95	H	92.9	Very high	87.3	Confident	47 Å²	47	46.1 Å²	46.1	22%	0.218	24%	0.238	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-85.4	112	172.3	-168.5	61.7	0	0	0	110.4	D51 K97 T98 G99 E100	D51-H95 IonicContact OD1-CE1 2.65Å; D51-H95 IonicContact OD1-CG 2.67Å; D51-H95 IonicContact OD1-ND1 3.75Å; D51-H95 PolarHBondContact OD1-ND1 2.83Å; H95-K97 PolarHBondContact O-N 3.26Å; H95-T98 PolarHBondContact O-N 3.09Å; H95-G99 WeakPolarHBondContact O-CA 3.41Å; H95-G99 PolarHBondContact O-N 3.04Å; H95-E100 PolarHBondContact N-O 2.76Å
96	I	91.5	Very high	87.8	Confident	19 Å²	19	41.3 Å²	41.3	10%	0.097	22%	0.216	C	C	.	.	T	Hydrogen-bonded Turn	trans	-67.8	-12.3	-169.8	71.9	179.8	0	0	0	114.5	L39 L42 K43 D50 I52	L39-I96 VanDerWaalsContact CD1-C 3.5Å; L39-I96 WeakPolarHBondContact CD1-O 3.22Å; L42-I96 HydrophobicContact CB-CG2 4.42Å; L42-I96 HydrophobicContact CD1-CG2 4.04Å; K43-I96 WeakPolarHBondContact CE-O 3.43Å; D50-I96 HydrophobicContact CB-CD1 4.45Å; D50-I96 HydrophobicContact CB-CG1 4.22Å; D50-I96 WeakPolarHBondContact O-CG1 3.25Å; D50-I96 WeakPolarHBondContact O-CG2 3.41Å; D50-I96 PolarHBondContact O-N 3.31Å; I52-I96 HydrophobicContact CD1-CG2 3.87Å; I52-I96 HydrophobicContact CG1-CG2 3.96Å
97	K	90.6	Very high	87.7	Confident	125 Å²	125	38.8 Å²	38.8	54%	0.543	20%	0.2	S	C	.	.	T	Hydrogen-bonded Turn	trans	-83.5	-51.6	179.1	-67.4	172.6	171.6	161.2	0	110.9	K43 D50 H95	K43-K97 PolarHBondContact NZ-O 3.27Å; D50-K97 WeakPolarHBondContact OD1-CE 3.27Å; D50-K97 IonicContact OD1-NZ 3.71Å; D50-K97 WeakPolarHBondContact OD2-CE 3.3Å; D50-K97 IonicContact OD2-NZ 3.72Å; D50-K97 PolarHBondContact OD2-NZ 2.67Å; H95-K97 PolarHBondContact O-N 3.26Å
98	T	93.3	Very high	86.9	Confident	72 Å²	72	40.1 Å²	40.1	44%	0.442	21%	0.209	S	C	.	.	T	Hydrogen-bonded Turn	trans	-90.4	-29.3	-176.9	62.5	0	0	0	0	112.8	H95 E100	H95-T98 PolarHBondContact O-N 3.09Å; T98-E100 VanDerWaalsContact C-N 3.28Å; T98-E100 WeakPolarHBondContact CB-OE2 3.15Å; T98-E100 PolarHBondContact OG1-N 3.16Å; T98-E100 PolarHBondContact OG1-OE2 3.18Å
99	G	94.1	Very high	85.7	Confident	0 Å²	0	41.6 Å²	41.6	0%	0	22%	0.223	C	C	.	.			trans	78.7	13.2	-172.1	0	0	0	0	0	113.6	N35 H95	N35-G99 PolarHBondContact ND2-O 3.39Å; H95-G99 WeakPolarHBondContact O-CA 3.41Å; H95-G99 PolarHBondContact O-N 3.04Å
100	E	95.8	Very high	84.5	Confident	71 Å²	71	43.7 Å²	43.7	33%	0.332	24%	0.241	S	C	.	.			trans	-91.2	160.2	175.1	-65.2	160.8	149.3	0	0	110.8	K77 H95 T98	K77-E100 HydrophobicContact CG-CG 4.33Å; K77-E100 CarbonylContact O-C 3.55Å; K77-E100 VanDerWaalsContact O-CA 3.25Å; K77-E100 WeakPolarHBondContact O-CA 3.13Å; H95-E100 PolarHBondContact N-O 2.76Å; T98-E100 VanDerWaalsContact C-N 3.28Å; T98-E100 WeakPolarHBondContact CB-OE2 3.15Å; T98-E100 PolarHBondContact OG1-N 3.16Å; T98-E100 PolarHBondContact OG1-OE2 3.18Å
101	W	94.3	Very high	83.2	Confident	1 Å²	1	44.3 Å²	44.3	0%	0.004	25%	0.245	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-105.4	135.9	-176.6	-52.1	-8.1	0	0	0	109.4	I29 N35 L54 M56 W67 M73 F75 D76 K77 W78 T79 F93	I29-W101 HydrophobicContact CB-CH2 4.07Å; I29-W101 HydrophobicContact CB-CZ2 3.67Å; I29-W101 HydrophobicContact CD1-CZ2 3.87Å; I29-W101 HydrophobicContact CG1-CZ2 4.24Å; I29-W101 HydrophobicContact CG2-CH2 4.49Å; I29-W101 HydrophobicContact CG2-CZ2 3.84Å; N35-W101 PolarHBondContact OD1-NE1 3.3Å; L54-W101 HydrophobicContact CD1-CB 4.37Å; L54-W101 HydrophobicContact CD1-CD2 3.85Å; L54-W101 HydrophobicContact CD1-CE3 4.33Å; L54-W101 HydrophobicContact CD1-CG 3.83Å; M56-W101 HydrophobicContact CE-CE3 3.84Å; M56-W101 HydrophobicContact CE-CZ3 4.07Å; W67-W101 AromaticContact CH2-CH2 3.96Å; W67-W101 HydrophobicContact CH2-CH2 3.96Å; W67-W101 HydrophobicContact CH2-CZ3 4.12Å; W67-W101 AromaticContact CZ2-CH2 3.71Å; W67-W101 HydrophobicContact CZ2-CH2 3.71Å; W67-W101 AromaticContact CZ2-CZ3 3.94Å; W67-W101 HydrophobicContact CZ2-CZ3 3.94Å; M73-W101 HydrophobicContact CE-CZ3 4.13Å; F75-W101 AromaticContact CD1-CH2 3.9Å; F75-W101 HydrophobicContact CD1-CH2 3.9Å; F75-W101 AromaticContact CD1-CZ2 3.8Å; F75-W101 HydrophobicContact CD1-CZ2 3.8Å; F75-W101 HydrophobicContact CE1-CH2 4.34Å; F75-W101 AromaticContact CE1-CZ2 3.82Å; F75-W101 HydrophobicContact CE1-CZ2 3.82Å; F75-W101 WeakPolarHBondContact O-CH2 3.24Å; D76-W101 VanDerWaalsContact CA-CZ3 3.5Å; D76-W101 HydrophobicContact CB-CE3 4.34Å; D76-W101 HydrophobicContact CB-CH2 4.5Å; D76-W101 HydrophobicContact CB-CZ3 3.9Å; K77-W101 PolarHBondContact O-N 3.33Å; W78-W101 CarbonylContact C-O 3.5Å; W78-W101 WeakPolarHBondContact CA-O 3.43Å; W78-W101 HydrophobicContact CD2-CB 4.34Å; W78-W101 HydrophobicContact CD2-CE3 4.49Å; W78-W101 HydrophobicContact CE3-CB 3.71Å; W78-W101 HydrophobicContact CZ2-CE3 4.48Å; W78-W101 HydrophobicContact CZ3-CB 4.03Å; T79-W101 WeakPolarHBondContact CG2-O 3.17Å; T79-W101 PolarHBondContact N-O 2.99Å; F93-W101 CarbonylContact O-C 3.49Å; F93-W101 VanDerWaalsContact O-CA 3.25Å; F93-W101 WeakPolarHBondContact O-CA 3.47Å
102	K	91.1	Very high	82	Confident	65 Å²	65	52.5 Å²	52.5	28%	0.283	28%	0.283	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-118.8	147.9	176.3	65.5	179.6	-173.1	177.9	0	111.1	D51 T79 A92 F93	D51-K102 WeakPolarHBondContact OD1-CE 3.33Å; D51-K102 IonicContact OD1-NZ 2.71Å; D51-K102 PolarHBondContact OD1-NZ 2.92Å; D51-K102 WeakPolarHBondContact OD2-CE 3.4Å; D51-K102 IonicContact OD2-NZ 2.63Å; D51-K102 PolarHBondContact OD2-NZ 3.31Å; T79-K102 HydrophobicContact CG2-CB 3.98Å; A92-K102 WeakPolarHBondContact CA-O 3.42Å; F93-K102 HydrophobicContact CB-CD 4.48Å; F93-K102 HydrophobicContact CB-CG 3.79Å; F93-K102 PolarHBondContact N-O 2.8Å; F93-K102 PolarHBondContact O-N 2.88Å
103	K	89.3	Confident	81	Confident	32 Å²	32	52.6 Å²	52.6	14%	0.139	28%	0.284	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-81.1	140.8	172.7	-60.1	173.9	-170	167.9	0	108	F65 W78 D83 L87 T90	F65-K103 HydrophobicContact CE2-CD 4.33Å; F65-K103 HydrophobicContact CE2-CG 4.41Å; F65-K103 HydrophobicContact CZ-CD 4.17Å; F65-K103 HydrophobicContact CZ-CG 3.93Å; W78-K103 HydrophobicContact CE3-CG 4.19Å; W78-K103 HydrophobicContact CH2-CG 4.33Å; W78-K103 HydrophobicContact CZ3-CG 3.79Å; D83-K103 IonicContact OD1-NZ 3.8Å; D83-K103 PolarHBondContact OD1-NZ 3.05Å; L87-K103 HydrophobicContact CD2-CD 3.92Å; T90-K103 HydrophobicContact CG2-CB 3.8Å; T90-K103 HydrophobicContact CG2-CG 4.41Å
104	G	85.7	Confident	80.5	Confident	19 Å²	19	54.2 Å²	54.2	20%	0.196	30%	0.295	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-165	158.5	175.7	0	0	0	0	0	112.3	C91 C106	C91-G104 PolarHBondContact N-O 3.27Å; C91-G104 PolarHBondContact O-N 3.44Å; C91-G104 VanDerWaalsContact O-O 3.09Å; G104-C106 PolarHBondContact O-N 2.65Å
105	N	84	Confident	80.2	Confident	71 Å²	71	56.3 Å²	56.3	38%	0.38	31%	0.306	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-63.2	132.8	-179.4	-177.2	-7.9	0	0	0	110.9	D89 E107 V108	D89-N105 PolarHBondContact O-OD1 2.97Å; N105-E107 PolarHBondContact O-N 2.81Å; N105-E107 PolarHBondContact OD1-N 2.75Å; N105-V108 HydrophobicContact CB-CG2 3.94Å; N105-V108 WeakPolarHBondContact O-CG2 3.3Å
106	C	79.3	Confident	80.1	Confident	6 Å²	6	56.6 Å²	56.6	4%	0.041	31%	0.313	C	S	.	.	T	Hydrogen-bonded Turn	trans	-64.1	-21.6	176.6	-60.9	0	0	0	0	113.7	A8 L11 P12 D89 C91 G104	A8-C106 WeakPolarHBondContact O-CB 3.31Å; L11-C106 WeakPolarHBondContact CB-O 3.26Å; L11-C106 WeakPolarHBondContact CD1-O 3.38Å; P12-C106 HydrophobicContact CG-CB 4.04Å; D89-C106 PolarHBondContact O-N 3.21Å; D89-C106 PolarHBondContact O-SG 2.84Å; C91-C106 VanDerWaalsContact CA-SG 3.59Å; C91-C106 HydrophobicContact CB-CB 4.04Å; C91-C106 WeakPolarHBondContact CB-SG 3.39Å; C91-C106 PolarHBondContact N-SG 3.23Å; C91-C106 WeakPolarHBondContact SG-CB 3.36Å; C91-C106 CovalentContact SG-SG 2.03Å; C91-C106 PolarHBondContact SG-SG 2.55Å; G104-C106 PolarHBondContact O-N 2.65Å
107	E	71.6	Confident	80	Confident	98 Å²	98	58.8 Å²	58.8	46%	0.458	32%	0.321	S	S	.	.	T	Hydrogen-bonded Turn	trans	-82.7	-5.3	-176.6	-64.3	-169.8	155.9	0	0	114.7	P7 N105 S109	P7-E107 WeakPolarHBondContact CB-OE1 3.38Å; N105-E107 PolarHBondContact O-N 2.81Å; N105-E107 PolarHBondContact OD1-N 2.75Å; E107-S109 PolarHBondContact O-N 3.43Å
108	V	63.5	Low	80	Confident	66 Å²	66	56.8 Å²	56.8	40%	0.4	32%	0.32	S	S	.	.			trans	-72.3	119.2	-173.3	-168.4	0	0	0	0	110.5	N105 S110 V111	N105-V108 HydrophobicContact CB-CG2 3.94Å; N105-V108 WeakPolarHBondContact O-CG2 3.3Å; V108-S110 VanDerWaalsContact CG1-OG 3.29Å; V108-S110 WeakPolarHBondContact CG1-OG 3.49Å; V108-S110 PolarHBondContact O-N 2.91Å; V108-V111 WeakPolarHBondContact O-CG2 3.44Å
109	S	53.4	Low	79.5	Confident	115 Å²	115	57.8 Å²	57.8	80%	0.804	34%	0.335	S	S	*	.	T	Hydrogen-bonded Turn	trans	-68.1	5.1	-178.1	49.1	0	0	0	0	115.6	E107 V111	E107-S109 PolarHBondContact O-N 3.43Å; S109-V111 VanDerWaalsContact C-N 3.31Å
110	S	54	Low	78.7	Confident	82 Å²	82	63.2 Å²	63.2	57%	0.573	36%	0.363	S	S	*	.	T	Hydrogen-bonded Turn	trans	-86.6	1.3	176.7	57.7	0	0	0	0	113.9	V108 E112	V108-S110 VanDerWaalsContact CG1-OG 3.29Å; V108-S110 WeakPolarHBondContact CG1-OG 3.49Å; V108-S110 PolarHBondContact O-N 2.91Å; S110-E112 PolarHBondContact O-N 3.23Å
111	V	58.3	Low	77.6	Confident	26 Å²	26	63.9 Å²	63.9	16%	0.158	37%	0.374	C	S	.	.			trans	-87.6	83.4	179.9	-172.7	0	0	0	0	109.7	L53 F93 V108 S109 G113	L53-V111 HydrophobicContact CB-CG1 3.5Å; L53-V111 VanDerWaalsContact CB-CG1 3.5Å; L53-V111 HydrophobicContact CD2-CG1 4.12Å; L53-V111 HydrophobicContact CG-CG1 4.38Å; F93-V111 HydrophobicContact CD1-CG2 4.38Å; F93-V111 HydrophobicContact CE1-CB 4.5Å; F93-V111 HydrophobicContact CE1-CG1 4.3Å; F93-V111 HydrophobicContact CE1-CG2 3.37Å; F93-V111 HydrophobicContact CZ-CG2 3.91Å; V108-V111 WeakPolarHBondContact O-CG2 3.44Å; S109-V111 VanDerWaalsContact C-N 3.31Å; V111-G113 VanDerWaalsContact C-N 3.31Å
112	E	63.9	Low	75.9	Confident	172 Å²	172	72.7 Å²	72.7	80%	0.804	41%	0.408	S	S	*	.			trans	-90.7	5.8	171.5	-70.4	-176.1	136.6	0	0	112.8	S110	S110-E112 PolarHBondContact O-N 3.23Å
113	G	70.9	Confident	74.1	Confident	2 Å²	2	77.7 Å²	77.7	2%	0.021	43%	0.43	C	S	.	.			trans	-137	117.2	179.5	0	0	0	0	0	113.6	W46 L53 V111	W46-G113 VanDerWaalsContact CH2-CA 3.5Å; L53-G113 PolarHBondContact N-O 2.85Å; V111-G113 VanDerWaalsContact C-N 3.31Å
114	T	80.3	Confident	72.4	Confident	48 Å²	48	86.2 Å²	86.2	29%	0.294	46%	0.461	S	S	.	.	B	Isolated β-bridge	trans	-109.8	142	160	-175.1	0	0	0	0	108.7
115	L	87.5	Confident	70.8	Confident	45 Å²	45	93.2 Å²	93.2	24%	0.236	49%	0.486	C	S	.	.			trans	-100.9	133.7	174.2	-178.3	64	0	0	0	109	I27 I38 I52	I27-L115 HydrophobicContact CB-CB 3.98Å; I27-L115 HydrophobicContact CB-CD2 4.15Å; I27-L115 HydrophobicContact CB-CG 3.99Å; I27-L115 VanDerWaalsContact CB-O 3.3Å; I27-L115 WeakPolarHBondContact CB-O 3.22Å; I27-L115 HydrophobicContact CD1-CD2 4Å; I27-L115 HydrophobicContact CD1-CG 4.25Å; I27-L115 HydrophobicContact CG1-CD2 3.8Å; I27-L115 HydrophobicContact CG1-CG 4.15Å; I27-L115 HydrophobicContact CG2-CB 3.86Å; I27-L115 HydrophobicContact CG2-CD2 4.41Å; I27-L115 HydrophobicContact CG2-CG 4.35Å; I27-L115 PolarHBondContact N-O 3.25Å; I38-L115 HydrophobicContact CG1-CD2 4.36Å; I38-L115 HydrophobicContact CG2-CD2 3.45Å; I38-L115 VanDerWaalsContact CG2-CD2 3.45Å; I52-L115 HydrophobicContact CG2-CB 4.08Å
116	C	90.2	Very high	69.3	Low	54 Å²	54	98.1 Å²	98.1	37%	0.365	50%	0.501	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-110.5	144.3	179.2	-51.7	0	0	0	0	111	A19 A24 D25	A19-C116 HydrophobicContact CB-CB 4.23Å; A24-C116 HydrophobicContact CB-CB 3.87Å; D25-C116 CarbonylContact O-C 3.48Å; D25-C116 WeakPolarHBondContact O-CA 3.46Å; D25-C116 WeakPolarHBondContact O-CB 3.22Å
117	K	90.1	Very high	68.3	Low	64 Å²	64	102.2 Å²	102.2	28%	0.278	52%	0.522	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-119.4	135.5	176.8	178.5	173.4	168.4	179.7	0	109.3	D25 I27 S28 H30 E34	D25-K117 PolarHBondContact N-O 2.89Å; D25-K117 PolarHBondContact O-N 2.56Å; I27-K117 HydrophobicContact CD1-CB 3.8Å; I27-K117 HydrophobicContact CD1-CD 4.02Å; I27-K117 HydrophobicContact CD1-CG 4.39Å; S28-K117 PolarHBondContact O-NZ 2.85Å; S28-K117 PolarHBondContact OG-NZ 2.82Å; H30-K117 PolarHBondContact ND1-NZ 3.35Å; E34-K117 VanDerWaalsContact OE1-CE 3.28Å; E34-K117 WeakPolarHBondContact OE1-CE 3.17Å; E34-K117 IonicContact OE1-NZ 3.62Å; E34-K117 PolarHBondContact OE1-NZ 2.9Å; E34-K117 IonicContact OE2-NZ 2.7Å
118	T	88.6	Confident	67.8	Low	84 Å²	84	100.5 Å²	100.5	52%	0.515	52%	0.521	S	S	.	.			trans	-135.9	138.1	173.7	-172.7	0	0	0	0	110	G23 I120	G23-T118 PolarHBondContact O-OG1 2.83Å; T118-I120 PolarHBondContact O-N 2.83Å
119	A	83.5	Confident	67.9	Low	92 Å²	92	102.7 Å²	102.7	76%	0.76	53%	0.53	S	S	*	.			trans	-77.2	112.7	173.5	0	0	0	0	0	108.8	P121	A119-P121 WeakPolarHBondContact O-CD 3.45Å
120	I	78.1	Confident	68.7	Low	114 Å²	114	102.2 Å²	102.2	59%	0.585	52%	0.518	S	S	*	.			trans	-77.6	115.9	171.3	-54.1	175.3	0	0	0	107.2	T118 Y122	T118-I120 PolarHBondContact O-N 2.83Å; I120-Y122 PolarHBondContact O-N 2.79Å
121	P	71.2	Confident	69.8	Low	85 Å²	85	104.7 Å²	104.7	55%	0.552	52%	0.521	S	S	*	.			trans	-63	112.3	171	25.4	-31.6	0	0	0	107.9	A119 K123 R124	A119-P121 WeakPolarHBondContact O-CD 3.45Å; P121-K123 PolarHBondContact O-N 2.99Å; P121-R124 PolarHBondContact O-N 2.87Å
122	Y	59.5	Low	71	Confident	186 Å²	186	107.5 Å²	107.5	73%	0.729	53%	0.534	S	S	*	.	G	3₁₀ helix	trans	-48.2	-26.1	-174.1	-174.6	-98	0	0	0	113.6	I120 R124 Y126	I120-Y122 PolarHBondContact O-N 2.79Å; Y122-R124 VanDerWaalsContact C-N 3.3Å; Y122-R124 PolarHBondContact O-N 2.89Å; Y122-Y126 HydrophobicContact CE2-CE2 4.39Å
123	K	53.5	Low	71.9	Confident	170 Å²	170	104.5 Å²	104.5	74%	0.739	52%	0.523	S	S	*	.	G	3₁₀ helix	trans	-64.7	-19.8	178.5	-145.3	-176.2	-175.5	-172.7	0	115.2	P121 L127	P121-K123 PolarHBondContact O-N 2.99Å; K123-L127 HydrophobicContact CG-CD1 4.23Å
124	R	54.2	Low	72.7	Confident	211 Å²	211	109.3 Å²	109.3	80%	0.796	55%	0.547	S	S	*	.	G	3₁₀ helix	trans	-87.1	-25.9	-178.1	-88.9	-146.7	-168.6	177.2	6.5	115.3	P121 Y122	P121-R124 PolarHBondContact O-N 2.87Å; Y122-R124 VanDerWaalsContact C-N 3.3Å; Y122-R124 PolarHBondContact O-N 2.89Å
125	K	50.4	Low	73.1	Confident	166 Å²	166	109.4 Å²	109.4	72%	0.722	55%	0.55	S	S	*	.	T	Hydrogen-bonded Turn	trans	-82.4	-22.2	-169	-162.6	167.9	-179.4	174.4	0	113.7
126	Y	52.8	Low	73.3	Confident	174 Å²	174	109.8 Å²	109.8	68%	0.682	56%	0.559	S	S	*	*	S	Bend	trans	-106.9	-10.9	179.8	-77.5	-83.2	0	0	0	114.7	Y122	Y122-Y126 HydrophobicContact CE2-CE2 4.39Å
127	L	58.8	Low	73.4	Confident	93 Å²	93	112.8 Å²	112.8	49%	0.487	57%	0.571	S	S	.	*			trans	-112.2	49	-179.1	-90.1	150.3	0	0	0	110.6	K123 D129 I132	K123-L127 HydrophobicContact CG-CD1 4.23Å; L127-D129 PolarHBondContact O-N 2.82Å; L127-D129 VanDerWaalsContact O-N 3.15Å; L127-I132 HydrophobicContact CD2-CD1 3.77Å
128	S	61	Low	73.7	Confident	62 Å²	62	113.8 Å²	113.8	43%	0.434	58%	0.582	S	S	.	*			trans	-68.5	108.2	155	-176.1	0	0	0	0	105.7	N130 H131	S128-N130 PolarHBondContact O-N 3.35Å; S128-H131 WeakPolarHBondContact O-CB 3.29Å; S128-H131 PolarHBondContact O-N 2.8Å
129	D	66.1	Low	74	Confident	112 Å²	112	114.8 Å²	114.8	60%	0.599	58%	0.583	S	S	*	*	H	α-helix	trans	-48.4	-29.5	176.1	-82.5	-37.6	0	0	0	111.9	L127 H131 I132 L133	L127-D129 PolarHBondContact O-N 2.82Å; L127-D129 VanDerWaalsContact O-N 3.15Å; D129-H131 VanDerWaalsContact C-N 3.34Å; D129-H131 PolarHBondContact O-N 2.61Å; D129-I132 PolarHBondContact O-N 3.28Å; D129-L133 WeakPolarHBondContact O-CG 3.4Å; D129-L133 PolarHBondContact O-N 3.06Å
130	N	70	Confident	74.7	Confident	104 Å²	104	112.7 Å²	112.7	56%	0.556	57%	0.566	S	S	*	*	H	α-helix	trans	-60.2	-38.4	173.9	-61.9	-14.2	0	0	0	112.7	S128 I134	S128-N130 PolarHBondContact O-N 3.35Å; N130-I134 HydrophobicContact CB-CD1 4.41Å; N130-I134 WeakPolarHBondContact O-CB 3.41Å; N130-I134 VanDerWaalsContact O-CD1 3.25Å; N130-I134 WeakPolarHBondContact O-CD1 3.25Å; N130-I134 WeakPolarHBondContact O-CG1 3.47Å; N130-I134 PolarHBondContact O-N 2.88Å
131	H	77.7	Confident	75.5	Confident	134 Å²	134	110.2 Å²	110.2	62%	0.62	56%	0.559	S	S	*	*	H	α-helix	trans	-68.9	-37.3	179.5	-167	-85.8	0	0	0	111.8	S128 D129 S135	S128-H131 WeakPolarHBondContact O-CB 3.29Å; S128-H131 PolarHBondContact O-N 2.8Å; D129-H131 VanDerWaalsContact C-N 3.34Å; D129-H131 PolarHBondContact O-N 2.61Å; H131-S135 VanDerWaalsContact O-CB 3.24Å; H131-S135 WeakPolarHBondContact O-CB 3.24Å; H131-S135 PolarHBondContact O-N 2.96Å; H131-S135 PolarHBondContact O-OG 2.71Å
132	I	82	Confident	76.8	Confident	85 Å²	85	109.7 Å²	109.7	44%	0.436	56%	0.555	S	S	.	*	H	α-helix	trans	-67	-48.8	175.8	-62.8	179.2	0	0	0	109.7	L127 D129 I134 S135 A136	L127-I132 HydrophobicContact CD2-CD1 3.77Å; D129-I132 PolarHBondContact O-N 3.28Å; I132-I134 PolarHBondContact O-N 3.22Å; I132-S135 PolarHBondContact O-N 3.38Å; I132-S135 PolarHBondContact O-OG 2.97Å; I132-A136 WeakPolarHBondContact O-CB 3.39Å; I132-A136 PolarHBondContact O-N 2.82Å
133	L	84.4	Confident	78.6	Confident	109 Å²	109	104.6 Å²	104.6	57%	0.571	54%	0.543	S	S	*	.	H	α-helix	trans	-61.6	-44.2	178.4	-68.8	172	0	0	0	112.3	D129 A136 L137	D129-L133 WeakPolarHBondContact O-CG 3.4Å; D129-L133 PolarHBondContact O-N 3.06Å; L133-A136 PolarHBondContact O-N 3.4Å; L133-L137 WeakPolarHBondContact O-CB 3.29Å; L133-L137 VanDerWaalsContact O-CG 3.3Å; L133-L137 WeakPolarHBondContact O-CG 3.49Å; L133-L137 PolarHBondContact O-N 2.9Å
134	I	86.2	Confident	80.7	Confident	104 Å²	104	101.2 Å²	101.2	53%	0.533	53%	0.532	S	S	.	.	H	α-helix	trans	-63.3	-46.5	176.9	-68.6	163.8	0	0	0	110.1	N130 I132 A136 L137 V138	N130-I134 HydrophobicContact CB-CD1 4.41Å; N130-I134 WeakPolarHBondContact O-CB 3.41Å; N130-I134 VanDerWaalsContact O-CD1 3.25Å; N130-I134 WeakPolarHBondContact O-CD1 3.25Å; N130-I134 WeakPolarHBondContact O-CG1 3.47Å; N130-I134 PolarHBondContact O-N 2.88Å; I132-I134 PolarHBondContact O-N 3.22Å; I134-A136 VanDerWaalsContact C-N 3.33Å; I134-A136 PolarHBondContact O-N 2.93Å; I134-L137 PolarHBondContact O-N 2.91Å; I134-V138 HydrophobicContact CG2-CG2 4.36Å; I134-V138 VanDerWaalsContact O-CG2 3.26Å; I134-V138 WeakPolarHBondContact O-CG2 3.13Å; I134-V138 PolarHBondContact O-N 3.22Å
135	S	89.1	Confident	82.7	Confident	50 Å²	50	97 Å²	97	35%	0.35	52%	0.524	S	S	.	.	H	α-helix	trans	-61	-41.8	178.3	72.2	0	0	0	0	112.2	H131 I132 V138 I139	H131-S135 VanDerWaalsContact O-CB 3.24Å; H131-S135 WeakPolarHBondContact O-CB 3.24Å; H131-S135 PolarHBondContact O-N 2.96Å; H131-S135 PolarHBondContact O-OG 2.71Å; I132-S135 PolarHBondContact O-N 3.38Å; I132-S135 PolarHBondContact O-OG 2.97Å; S135-V138 PolarHBondContact O-N 3.3Å; S135-I139 WeakPolarHBondContact O-CD1 3.06Å; S135-I139 VanDerWaalsContact O-CG1 3.22Å; S135-I139 WeakPolarHBondContact O-CG1 3.02Å; S135-I139 PolarHBondContact O-N 2.98Å
136	A	91.6	Very high	85	Confident	53 Å²	53	93.6 Å²	93.6	44%	0.438	52%	0.518	S	S	.	.	H	α-helix	trans	-64.9	-42.8	177.5	0	0	0	0	0	112.1	I132 L133 I134 I139 A140	I132-A136 WeakPolarHBondContact O-CB 3.39Å; I132-A136 PolarHBondContact O-N 2.82Å; L133-A136 PolarHBondContact O-N 3.4Å; I134-A136 VanDerWaalsContact C-N 3.33Å; I134-A136 PolarHBondContact O-N 2.93Å; A136-I139 PolarHBondContact O-N 3.22Å; A136-A140 WeakPolarHBondContact O-CB 3.08Å; A136-A140 PolarHBondContact O-N 2.91Å
137	L	93.5	Very high	87.1	Confident	117 Å²	117	88.9 Å²	88.9	61%	0.613	51%	0.506	S	S	*	.	H	α-helix	trans	-64.1	-41.7	177.3	-76.3	171.4	0	0	0	112.2	L133 I134 S141	L133-L137 WeakPolarHBondContact O-CB 3.29Å; L133-L137 VanDerWaalsContact O-CG 3.3Å; L133-L137 WeakPolarHBondContact O-CG 3.49Å; L133-L137 PolarHBondContact O-N 2.9Å; I134-L137 PolarHBondContact O-N 2.91Å; L137-S141 WeakPolarHBondContact O-CB 3.35Å; L137-S141 PolarHBondContact O-N 3.36Å; L137-S141 PolarHBondContact O-OG 2.98Å
138	V	95.6	Very high	88.9	Confident	85 Å²	85	88.6 Å²	88.6	52%	0.515	51%	0.505	S	S	.	.	H	α-helix	trans	-63.6	-49	177.3	172.8	0	0	0	0	110.2	I134 S135 A140 S141 T142	I134-V138 HydrophobicContact CG2-CG2 4.36Å; I134-V138 VanDerWaalsContact O-CG2 3.26Å; I134-V138 WeakPolarHBondContact O-CG2 3.13Å; I134-V138 PolarHBondContact O-N 3.22Å; S135-V138 PolarHBondContact O-N 3.3Å; V138-A140 PolarHBondContact O-N 3.17Å; V138-S141 PolarHBondContact O-N 2.86Å; V138-T142 WeakPolarHBondContact O-CG2 3.45Å; V138-T142 PolarHBondContact O-N 3.34Å; V138-T142 PolarHBondContact O-OG1 3.38Å
139	I	95.7	Very high	90.6	Very high	104 Å²	104	87.5 Å²	87.5	53%	0.533	50%	0.503	S	S	.	.	H	α-helix	trans	-59.6	-49.5	178.4	-66.3	162.5	0	0	0	110.5	S135 A136 S141 T142 V143	S135-I139 WeakPolarHBondContact O-CD1 3.06Å; S135-I139 VanDerWaalsContact O-CG1 3.22Å; S135-I139 WeakPolarHBondContact O-CG1 3.02Å; S135-I139 PolarHBondContact O-N 2.98Å; A136-I139 PolarHBondContact O-N 3.22Å; I139-S141 VanDerWaalsContact C-N 3.31Å; I139-S141 PolarHBondContact O-N 3.29Å; I139-T142 PolarHBondContact O-N 3.36Å; I139-T142 PolarHBondContact O-OG1 3.42Å; I139-V143 WeakPolarHBondContact O-CG2 3.1Å; I139-V143 PolarHBondContact O-N 2.98Å
140	A	96.6	Very high	92.1	Very high	49 Å²	49	84.8 Å²	84.8	41%	0.405	50%	0.497	S	S	.	.	H	α-helix	trans	-57.9	-43.7	178.7	0	0	0	0	0	112	A136 V138 V143 I144	A136-A140 WeakPolarHBondContact O-CB 3.08Å; A136-A140 PolarHBondContact O-N 2.91Å; V138-A140 PolarHBondContact O-N 3.17Å; A140-V143 PolarHBondContact O-N 3.22Å; A140-I144 WeakPolarHBondContact O-CD1 3.35Å; A140-I144 WeakPolarHBondContact O-CG1 3.37Å; A140-I144 PolarHBondContact O-N 2.93Å
141	S	96.7	Very high	93.3	Very high	62 Å²	62	84 Å²	84	43%	0.434	49%	0.492	S	S	.	.	H	α-helix	trans	-64.3	-42.6	179.7	-58.4	0	0	0	0	112.2	L137 V138 I139 I144 L145	L137-S141 WeakPolarHBondContact O-CB 3.35Å; L137-S141 PolarHBondContact O-N 3.36Å; L137-S141 PolarHBondContact O-OG 2.98Å; V138-S141 PolarHBondContact O-N 2.86Å; I139-S141 VanDerWaalsContact C-N 3.31Å; I139-S141 PolarHBondContact O-N 3.29Å; S141-I144 PolarHBondContact O-N 2.63Å; S141-L145 WeakPolarHBondContact O-CG 3.26Å; S141-L145 PolarHBondContact O-N 2.71Å
142	T	96.8	Very high	94.2	Very high	74 Å²	74	83 Å²	83	45%	0.454	49%	0.49	S	S	.	.	H	α-helix	trans	-63.1	-43.6	177.1	58.7	0	0	0	0	112.1	V138 I139 I144 L145 T146	V138-T142 WeakPolarHBondContact O-CG2 3.45Å; V138-T142 PolarHBondContact O-N 3.34Å; V138-T142 PolarHBondContact O-OG1 3.38Å; I139-T142 PolarHBondContact O-N 3.36Å; I139-T142 PolarHBondContact O-OG1 3.42Å; T142-I144 PolarHBondContact O-N 3.25Å; T142-L145 PolarHBondContact O-N 2.81Å; T142-T146 WeakPolarHBondContact O-CG2 3.36Å; T142-T146 PolarHBondContact O-N 3.14Å; T142-T146 PolarHBondContact O-OG1 3.28Å
143	V	97.7	Very high	94.9	Very high	79 Å²	79	86.7 Å²	86.7	48%	0.479	50%	0.498	S	S	.	.	H	α-helix	trans	-61.2	-47	177.1	174.2	0	0	0	0	110.5	I139 A140 L145 T146 V147	I139-V143 WeakPolarHBondContact O-CG2 3.1Å; I139-V143 PolarHBondContact O-N 2.98Å; A140-V143 PolarHBondContact O-N 3.22Å; V143-L145 VanDerWaalsContact C-N 3.35Å; V143-L145 PolarHBondContact O-N 3.23Å; V143-T146 PolarHBondContact O-N 3.49Å; V143-T146 PolarHBondContact O-OG1 2.96Å; V143-V147 HydrophobicContact CG1-CG2 4.44Å; V143-V147 WeakPolarHBondContact O-CG2 3.39Å; V143-V147 PolarHBondContact O-N 3.23Å
144	I	97.5	Very high	95.4	Very high	99 Å²	99	87.5 Å²	87.5	51%	0.508	50%	0.497	S	S	.	.	H	α-helix	trans	-58.8	-46.1	178.8	-67.9	163.2	0	0	0	111.1	A140 S141 T142 T146 V147 L148	A140-I144 WeakPolarHBondContact O-CD1 3.35Å; A140-I144 WeakPolarHBondContact O-CG1 3.37Å; A140-I144 PolarHBondContact O-N 2.93Å; S141-I144 PolarHBondContact O-N 2.63Å; T142-I144 PolarHBondContact O-N 3.25Å; I144-T146 PolarHBondContact O-N 2.92Å; I144-V147 PolarHBondContact O-N 3.42Å; I144-L148 HydrophobicContact CG2-CD1 3.77Å; I144-L148 HydrophobicContact CG2-CG 4.23Å; I144-L148 WeakPolarHBondContact O-CB 3.29Å; I144-L148 VanDerWaalsContact O-CG 3.31Å; I144-L148 WeakPolarHBondContact O-CG 3.05Å; I144-L148 PolarHBondContact O-N 3.13Å
145	L	97.4	Very high	95.6	Very high	121 Å²	121	87.3 Å²	87.3	63%	0.634	50%	0.497	S	S	*	.	H	α-helix	trans	-63.6	-40	179.6	-70.7	173.2	0	0	0	112.5	S141 T142 V143 G149	S141-L145 WeakPolarHBondContact O-CG 3.26Å; S141-L145 PolarHBondContact O-N 2.71Å; T142-L145 PolarHBondContact O-N 2.81Å; V143-L145 VanDerWaalsContact C-N 3.35Å; V143-L145 PolarHBondContact O-N 3.23Å; L145-G149 PolarHBondContact O-N 3.36Å
146	T	97.4	Very high	95.6	Very high	96 Å²	96	93.1 Å²	93.1	59%	0.589	51%	0.512	S	S	*	.	H	α-helix	trans	-65.4	-40.2	176.6	60.2	0	0	0	0	112.4	T142 V143 I144 G149 A150	T142-T146 WeakPolarHBondContact O-CG2 3.36Å; T142-T146 PolarHBondContact O-N 3.14Å; T142-T146 PolarHBondContact O-OG1 3.28Å; V143-T146 PolarHBondContact O-N 3.49Å; V143-T146 PolarHBondContact O-OG1 2.96Å; I144-T146 PolarHBondContact O-N 2.92Å; T146-G149 PolarHBondContact O-N 2.88Å; T146-A150 WeakPolarHBondContact O-CB 3.48Å; T146-A150 PolarHBondContact O-N 3.48Å
147	V	97.8	Very high	95.5	Very high	74 Å²	74	95.6 Å²	95.6	45%	0.448	51%	0.513	S	S	.	.	H	α-helix	trans	-68.1	-46.6	178.2	173.3	0	0	0	0	110.9	V143 I144 G149 A150 I151	V143-V147 HydrophobicContact CG1-CG2 4.44Å; V143-V147 WeakPolarHBondContact O-CG2 3.39Å; V143-V147 PolarHBondContact O-N 3.23Å; I144-V147 PolarHBondContact O-N 3.42Å; V147-G149 VanDerWaalsContact C-N 3.32Å; V147-G149 PolarHBondContact O-N 3.04Å; V147-A150 PolarHBondContact O-N 3.26Å; V147-I151 HydrophobicContact CG1-CD1 3.82Å; V147-I151 HydrophobicContact CG1-CG1 4.49Å; V147-I151 VanDerWaalsContact O-CG1 3.29Å; V147-I151 WeakPolarHBondContact O-CG1 3.31Å; V147-I151 PolarHBondContact O-N 2.03Å
148	L	97.1	Very high	95.1	Very high	87 Å²	87	96.2 Å²	96.2	46%	0.455	51%	0.511	S	S	.	.	H	α-helix	trans	-61.4	-42.4	176.4	-69.9	176.3	0	0	0	111.4	I144 A150 I151 I152	I144-L148 HydrophobicContact CG2-CD1 3.77Å; I144-L148 HydrophobicContact CG2-CG 4.23Å; I144-L148 WeakPolarHBondContact O-CB 3.29Å; I144-L148 VanDerWaalsContact O-CG 3.31Å; I144-L148 WeakPolarHBondContact O-CG 3.05Å; I144-L148 PolarHBondContact O-N 3.13Å; L148-A150 PolarHBondContact O-N 3.28Å; L148-I151 PolarHBondContact O-N 2.77Å; L148-I152 WeakPolarHBondContact O-CB 3.4Å; L148-I152 VanDerWaalsContact O-CG1 3.24Å; L148-I152 WeakPolarHBondContact O-CG1 3.4Å; L148-I152 PolarHBondContact O-N 3.42Å
149	G	96.8	Very high	94	Very high	39 Å²	39	97.7 Å²	97.7	40%	0.402	51%	0.512	S	S	.	.	H	α-helix	trans	-58.7	-45.3	174.5	0	0	0	0	0	112.6	L145 T146 V147 I152 W153	L145-G149 PolarHBondContact O-N 3.36Å; T146-G149 PolarHBondContact O-N 2.88Å; V147-G149 VanDerWaalsContact C-N 3.32Å; V147-G149 PolarHBondContact O-N 3.04Å; G149-I152 PolarHBondContact O-N 3.49Å; G149-W153 VanDerWaalsContact O-CB 3.29Å; G149-W153 WeakPolarHBondContact O-CB 3.39Å; G149-W153 PolarHBondContact O-N 2.83Å
150	A	96.6	Very high	92.9	Very high	56 Å²	56	95.9 Å²	95.9	46%	0.463	51%	0.509	S	S	.	.	H	α-helix	trans	-64.3	-40.2	177.2	0	0	0	0	0	112.7	T146 V147 L148 F154	T146-A150 WeakPolarHBondContact O-CB 3.48Å; T146-A150 PolarHBondContact O-N 3.48Å; V147-A150 PolarHBondContact O-N 3.26Å; L148-A150 PolarHBondContact O-N 3.28Å; A150-F154 WeakPolarHBondContact O-CB 3.42Å; A150-F154 PolarHBondContact O-N 3.25Å
151	I	96.3	Very high	91.2	Very high	87 Å²	87	98.5 Å²	98.5	45%	0.446	52%	0.516	S	S	.	.	H	α-helix	trans	-65.3	-48.9	176.9	-66.9	165.4	0	0	0	110.5	V147 L148 W153 F154 L155	V147-I151 HydrophobicContact CG1-CD1 3.82Å; V147-I151 HydrophobicContact CG1-CG1 4.49Å; V147-I151 VanDerWaalsContact O-CG1 3.29Å; V147-I151 WeakPolarHBondContact O-CG1 3.31Å; V147-I151 PolarHBondContact O-N 2.03Å; L148-I151 PolarHBondContact O-N 2.77Å; I151-W153 VanDerWaalsContact C-N 3.32Å; I151-W153 PolarHBondContact O-N 3.16Å; I151-F154 PolarHBondContact O-N 2.82Å; I151-L155 HydrophobicContact CG2-CD1 4.07Å; I151-L155 HydrophobicContact CG2-CG 4.36Å; I151-L155 WeakPolarHBondContact O-CG 3.04Å; I151-L155 PolarHBondContact O-N 3.37Å
152	I	96.2	Very high	89.2	Confident	113 Å²	113	98.9 Å²	98.9	58%	0.579	52%	0.519	S	S	*	.	H	α-helix	trans	-59.7	-45.4	178.9	-68.4	165.3	0	0	0	110.2	L148 G149 F154 L155 Y156	L148-I152 WeakPolarHBondContact O-CB 3.4Å; L148-I152 VanDerWaalsContact O-CG1 3.24Å; L148-I152 WeakPolarHBondContact O-CG1 3.4Å; L148-I152 PolarHBondContact O-N 3.42Å; G149-I152 PolarHBondContact O-N 3.49Å; I152-F154 VanDerWaalsContact C-N 3.34Å; I152-F154 PolarHBondContact O-N 2.86Å; I152-L155 PolarHBondContact O-N 3.49Å; I152-Y156 WeakPolarHBondContact O-CB 3.13Å; I152-Y156 PolarHBondContact O-N 3.41Å
153	W	95.2	Very high	86.9	Confident	162 Å²	162	104.7 Å²	104.7	61%	0.614	53%	0.532	S	S	*	.	H	α-helix	trans	-59	-44.2	176.1	175.4	81.1	0	0	0	112.2	G149 I151 Y156 K157	G149-W153 VanDerWaalsContact O-CB 3.29Å; G149-W153 WeakPolarHBondContact O-CB 3.39Å; G149-W153 PolarHBondContact O-N 2.83Å; I151-W153 VanDerWaalsContact C-N 3.32Å; I151-W153 PolarHBondContact O-N 3.16Å; W153-Y156 PolarHBondContact O-N 3.37Å; W153-K157 HydrophobicContact CH2-CD 4.29Å; W153-K157 HydrophobicContact CZ2-CD 4.24Å; W153-K157 WeakPolarHBondContact O-CB 3.23Å; W153-K157 PolarHBondContact O-N 2.92Å
154	F	95.4	Very high	84.4	Confident	126 Å²	126	109.7 Å²	109.7	55%	0.553	55%	0.548	S	S	*	.	H	α-helix	trans	-63.6	-43.6	177.5	-177	-96.7	0	0	0	112.3	A150 I151 I152 K157 K158	A150-F154 WeakPolarHBondContact O-CB 3.42Å; A150-F154 PolarHBondContact O-N 3.25Å; I151-F154 PolarHBondContact O-N 2.82Å; I152-F154 VanDerWaalsContact C-N 3.34Å; I152-F154 PolarHBondContact O-N 2.86Å; F154-K157 PolarHBondContact O-N 3.37Å; F154-K158 WeakPolarHBondContact O-CB 3.42Å; F154-K158 PolarHBondContact O-N 3.5Å
155	L	91.6	Very high	81.8	Confident	101 Å²	101	110.4 Å²	110.4	53%	0.529	56%	0.557	S	S	.	*	H	α-helix	trans	-65.2	-41.7	176.8	-67.6	178.4	0	0	0	111.9	I151 I152 K158 H159	I151-L155 HydrophobicContact CG2-CD1 4.07Å; I151-L155 HydrophobicContact CG2-CG 4.36Å; I151-L155 WeakPolarHBondContact O-CG 3.04Å; I151-L155 PolarHBondContact O-N 3.37Å; I152-L155 PolarHBondContact O-N 3.49Å; L155-K158 PolarHBondContact O-N 2.97Å; L155-H159 WeakPolarHBondContact O-CB 3.47Å; L155-H159 PolarHBondContact O-N 3.03Å
156	Y	88.3	Confident	79.1	Confident	171 Å²	171	110.8 Å²	110.8	67%	0.671	56%	0.564	S	S	*	*	H	α-helix	trans	-62.9	-45.8	176.1	-178.9	-98.2	0	0	0	111.4	I152 W153 K158 H159 S160	I152-Y156 WeakPolarHBondContact O-CB 3.13Å; I152-Y156 PolarHBondContact O-N 3.41Å; W153-Y156 PolarHBondContact O-N 3.37Å; Y156-K158 PolarHBondContact O-N 2.9Å; Y156-H159 PolarHBondContact O-N 3.31Å; Y156-S160 WeakPolarHBondContact O-CB 3.4Å; Y156-S160 PolarHBondContact O-N 3.11Å
157	K	88.9	Confident	76.3	Confident	105 Å²	105	112.8 Å²	112.8	46%	0.457	58%	0.576	S	S	.	*	H	α-helix	trans	-58.9	-48.1	175.6	-177	171	-178.4	169.9	0	111.4	W153 F154 H159 S160 D161	W153-K157 HydrophobicContact CH2-CD 4.29Å; W153-K157 HydrophobicContact CZ2-CD 4.24Å; W153-K157 WeakPolarHBondContact O-CB 3.23Å; W153-K157 PolarHBondContact O-N 2.92Å; F154-K157 PolarHBondContact O-N 3.37Å; K157-H159 VanDerWaalsContact C-N 3.31Å; K157-H159 PolarHBondContact O-N 3.2Å; K157-S160 WeakPolarHBondContact O-CB 3.42Å; K157-S160 PolarHBondContact O-N 3.45Å; K157-S160 VanDerWaalsContact O-N 3.16Å; K157-D161 PolarHBondContact O-N 3.46Å
158	K	84.9	Confident	73.2	Confident	130 Å²	130	118.1 Å²	118.1	57%	0.565	59%	0.594	S	S	*	*	H	α-helix	trans	-59.5	-41.2	176.9	-176.3	173.1	179.8	172.7	0	112.2	F154 L155 Y156 D161 S162	F154-K158 WeakPolarHBondContact O-CB 3.42Å; F154-K158 PolarHBondContact O-N 3.5Å; L155-K158 PolarHBondContact O-N 2.97Å; Y156-K158 PolarHBondContact O-N 2.9Å; K158-D161 PolarHBondContact O-N 3.4Å; K158-S162 WeakPolarHBondContact O-CB 3.42Å; K158-S162 PolarHBondContact O-N 2.9Å; K158-S162 PolarHBondContact O-OG 3.21Å
159	H	73.8	Confident	69.9	Low	116 Å²	116	119.2 Å²	119.2	54%	0.537	61%	0.608	S	S	.	*	H	α-helix	trans	-74.8	-27	178.5	-160.7	-59.6	0	0	0	112.9	L155 Y156 K157 R163	L155-H159 WeakPolarHBondContact O-CB 3.47Å; L155-H159 PolarHBondContact O-N 3.03Å; Y156-H159 PolarHBondContact O-N 3.31Å; K157-H159 VanDerWaalsContact C-N 3.31Å; K157-H159 PolarHBondContact O-N 3.2Å; H159-R163 PolarHBondContact O-N 3.47Å
160	S	71.1	Confident	66.8	Low	66 Å²	66	122.9 Å²	122.9	46%	0.462	62%	0.623	S	S	.	*	H	α-helix	trans	-67.7	-44.1	170.2	-169	0	0	0	0	110.7	Y156 K157 R163	Y156-S160 WeakPolarHBondContact O-CB 3.4Å; Y156-S160 PolarHBondContact O-N 3.11Å; K157-S160 WeakPolarHBondContact O-CB 3.42Å; K157-S160 PolarHBondContact O-N 3.45Å; K157-S160 VanDerWaalsContact O-N 3.16Å; S160-R163 PolarHBondContact O-N 3.02Å
161	D	61.9	Low	63.8	Low	104 Å²	104	124.6 Å²	124.6	56%	0.556	64%	0.638	S	S	*	*	H	α-helix	trans	-66.4	-39.4	175.9	-70.1	-24	0	0	0	111.6	K157 K158 R163 F164	K157-D161 PolarHBondContact O-N 3.46Å; K158-D161 PolarHBondContact O-N 3.4Å; D161-R163 PolarHBondContact O-N 3.46Å; D161-F164 PolarHBondContact O-N 3.39Å; D161-F164 VanDerWaalsContact O-N 3.15Å
162	S	54.5	Low	60.9	Low	70 Å²	70	126.7 Å²	126.7	49%	0.49	66%	0.657	S	S	.	*	G	3₁₀ helix	trans	-68.8	-13.6	175.7	-63.4	0	0	0	0	114.6	K158 F164	K158-S162 WeakPolarHBondContact O-CB 3.42Å; K158-S162 PolarHBondContact O-N 2.9Å; K158-S162 PolarHBondContact O-OG 3.21Å; S162-F164 PolarHBondContact O-N 3.17Å
163	R	49.4	Very low	58	Low	196 Å²	196	130.9 Å²	130.9	74%	0.74	67%	0.674	S	S	*	*	G	3₁₀ helix	trans	-81.9	1.8	173.6	-146.7	-173.8	-63.8	-111.4	1.5	112.4	H159 S160 D161	H159-R163 PolarHBondContact O-N 3.47Å; S160-R163 PolarHBondContact O-N 3.02Å; D161-R163 PolarHBondContact O-N 3.46Å
164	F	45	Very low	55	Low	185 Å²	185	128.7 Å²	128.7	81%	0.811	68%	0.683	S	S	*	*	G	3₁₀ helix	trans	-114.3	26.2	178.3	-166.8	-105.8	0	0	0	114.2	D161 S162	D161-F164 PolarHBondContact O-N 3.39Å; D161-F164 VanDerWaalsContact O-N 3.15Å; S162-F164 PolarHBondContact O-N 3.17Å
165	T	41.8	Very low	52.4	Low	114 Å²	114	127.6 Å²	127.6	70%	0.699	69%	0.689	S	S	*	*			trans	-150.1	64.8	168.3	55.6	0	0	0	0	113
166	T	40.3	Very low	49.6	Very low	128 Å²	128	134 Å²	134	79%	0.785	71%	0.708	S	S	*	*			trans	-147.7	65.6	159.5	55.4	0	0	0	0	112
167	V	39.3	Very low	47.1	Very low	138 Å²	138	132.3 Å²	132.3	84%	0.836	71%	0.71	S	S	*	*			trans	-149.8	95.3	145.8	-172.3	0	0	0	0	108
168	F	33.6	Very low	45.1	Very low	187 Å²	187	134.3 Å²	134.3	82%	0.82	72%	0.721	S	S	*	*			trans	-176.8	123.8	130.7	-132.7	-105.5	0	0	0	112.2
169	S	27.4	Very low	43.1	Very low	109 Å²	109	134.5 Å²	134.5	76%	0.762	73%	0.729	S	S	*	*			trans	-158.7	108.2	134.4	-129.5	0	0	0	0	111.1
170	T	30.1	Very low	41.3	Very low	117 Å²	117	135.5 Å²	135.5	72%	0.718	75%	0.747	S	S	*	*			trans	54.7	136.9	143.2	59.9	0	0	0	0	120.8
171	A	33.9	Very low	39.8	Very low	92 Å²	92	138.5 Å²	138.5	76%	0.76	76%	0.762	S	S	*	*			cis	-173.3	167.1	-2.9	0	0	0	0	0	106.5
172	P	35.2	Very low	38.6	Very low	131 Å²	131	141.5 Å²	141.5	85%	0.851	78%	0.777	S	S	*	*				-142.8	172.2	57.1	28.8	-3.6	0	0	0	116.4
173	Q	35.7	Very low	37.9	Very low	201 Å²	201	144.7 Å²	144.7	94%	0.939	79%	0.793	S	S	*	*			trans	-58.5	140.8	-174.2	-65.4	176.3	-49.3	0	0	115.6
174	S	32.2	Very low	37.5	Very low	115 Å²	115	141.6 Å²	141.6	80%	0.804	80%	0.796	S	S	*	*			trans	-147.9	136.8	147.4	-177.9	0	0	0	0	109
175	P	42.2	Very low	37.8	Very low	104 Å²	104	135.7 Å²	135.7	68%	0.675	79%	0.788	S	S	*	*			trans	-96.5	131.6	-162.9	34.9	-26.9	0	0	0	111.1
176	Y	32.6	Very low	37.8	Very low	235 Å²	235	137.9 Å²	137.9	92%	0.922	79%	0.79	S	S	*	*			trans	-168.7	109.6	136.8	-98.6	-71.7	0	0	0	109.7
177	N	35.7	Very low	37.9	Very low	136 Å²	136	139.8 Å²	139.8	73%	0.727	79%	0.79	S	S	*	*			trans	-42.5	167.7	157.3	-95	10.3	0	0	0	113.7
178	E	45.8	Very low	38.2	Very low	146 Å²	146	140.7 Å²	140.7	68%	0.682	79%	0.79	S	S	*	*			cis	-162.1	173.2	-20.3	-75.5	-126.5	106.7	0	0	103.1
179	D	43.3	Very low	38.6	Very low	135 Å²	135	140 Å²	140	72%	0.722	79%	0.79	S	S	*	*			trans	74.3	109.3	156	-66.5	-38.7	0	0	0	117.7
180	C	36.5	Very low	39.6	Very low	137 Å²	137	144 Å²	144	93%	0.926	79%	0.789	S	S	*	*			trans	-145	91.7	139.6	-91.2	0	0	0	0	110.5
181	V	39.8	Very low	40.4	Very low	129 Å²	129	144.5 Å²	144.5	78%	0.782	79%	0.794	S	S	*	*			trans	-0.6	133.8	143.6	174.2	0	0	0	0	118
182	L	36.8	Very low	40.7	Very low	167 Å²	167	146 Å²	146	87%	0.874	79%	0.794	S	S	*	*	P	Polyproline II helix	trans	-63	136.4	168.9	-78	164.5	0	0	0	112.2	V184	L182-V184 PolarHBondContact O-N 2.97Å
183	V	39.4	Very low	40.9	Very low	136 Å²	136	146.9 Å²	146.9	82%	0.824	79%	0.787	S	S	*	*	P	Polyproline II helix	trans	-68.3	124.2	177	-171	0	0	0	0	110.2
184	V	41.6	Very low	41.1	Very low	131 Å²	131	145.4 Å²	145.4	79%	0.794	78%	0.777	S	S	*	*	P	Polyproline II helix	trans	-89.8	119.9	157.2	177.7	0	0	0	0	106.6	L182	L182-V184 PolarHBondContact O-N 2.97Å
185	G	50.3	Low	41.5	Very low	62 Å²	62	151 Å²	151	64%	0.639	80%	0.798	S	S	*	*	P	Polyproline II helix	trans	-80.9	144.2	169.6	0	0	0	0	0	110.2
186	E	41.3	Very low	41.5	Very low	159 Å²	159	153.4 Å²	153.4	74%	0.743	80%	0.804	S	S	*	*			trans	-155.1	108	155.4	-151.3	158.9	166.3	0	0	108.5
187	E	43.9	Very low	42	Very low	169 Å²	169	149.1 Å²	149.1	79%	0.79	80%	0.798	S	S	*	*			trans	42.7	141.3	141.4	32.9	-154.9	113.8	0	0	123
188	N	44.6	Very low	42.3	Very low	157 Å²	157	149.8 Å²	149.8	84%	0.84	80%	0.802	S	S	*	*			trans	-68.5	135.5	-178.6	-39.1	-61	0	0	0	110.2
189	E	42.8	Very low	42.1	Very low	173 Å²	173	150 Å²	150	81%	0.808	81%	0.809	S	S	*	*			trans	-145.1	148.3	148.9	-147.7	130.2	155.8	0	0	112.9
190	Y	47.1	Very low	42	Very low	192 Å²	192	150.9 Å²	150.9	75%	0.753	82%	0.815	S	S	*	*			trans	-58.6	166.4	-155.2	-51.7	-77.4	0	0	0	118.9
191	P	46.9	Very low	42.4	Very low	127 Å²	127	151.9 Å²	151.9	83%	0.825	81%	0.807	S	S	*	*			trans	-81.9	132	174.7	32.6	-32	0	0	0	112.2
192	V	40.9	Very low	42.6	Very low	124 Å²	124	153.5 Å²	153.5	75%	0.752	81%	0.809	S	S	*	*			trans	-133.1	109.6	167.4	180	0	0	0	0	111.3
193	Q	39.7	Very low	43	Very low	149 Å²	149	152.5 Å²	152.5	70%	0.696	80%	0.804	S	S	*	*			trans	56.5	131.2	141.5	-70.9	-167.4	-90.4	0	0	126.1
194	F	38.8	Very low	43.3	Very low	170 Å²	170	153.8 Å²	153.8	75%	0.746	80%	0.803	S	S	*	*				71.2	116.8	126.4	-78.5	-120.5	0	0	0	120.8
195	D	41.8	Very low	43.5	Very low	233 Å²	233	155.9 Å²	155.9	100%	1.246	80%	0.803	S	S	*	*				-140.4	0	94	-104.7	-52.3	0	0	0	109.6

Retrieved 195 of 195 residues in 102.4 ms (Link to these results)

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