A0AA82N7V8_SCHMA Loading...

Uncharacterized protein AlphaSync

AlphaFold DB , UniProt , Accession A0AA82N7V8, Species SCHMA (Schistosoma mansoni, Blood fluke), Gene n/a, Length 249 aa.

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(Predicted Aligned Error values between residue pairs)

Download Structure AlphaSync Parameters PDB PAE Table

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	38.9	Very low	45.3	Very low	210 Å²	210	138.6 Å²	138.6	100%	1.034	69%	0.688	S	S	*	*				0	115.5	0	-79	174.4	172	0	0	108.3	Y3	M1-Y3 HydrophobicContact CB-CD2 4.42Å; M1-Y3 HydrophobicContact CB-CE2 4.25Å; M1-Y3 PolarHBondContact O-N 3.46Å
2	R	37.3	Very low	46.7	Very low	246 Å²	246	132.9 Å²	132.9	93%	0.928	67%	0.671	S	S	*	*			trans	-75.4	104.6	169.1	-74.4	179.8	175.4	175.8	-1.8	106.4	I4	R2-I4 PolarHBondContact O-N 2.68Å
3	Y	39.1	Very low	46.9	Very low	201 Å²	201	128.5 Å²	128.5	79%	0.788	66%	0.655	S	S	*	*			trans	-70.5	99.7	175.8	-87.2	-89.3	0	0	0	108.6	M1 L5	M1-Y3 HydrophobicContact CB-CD2 4.42Å; M1-Y3 HydrophobicContact CB-CE2 4.25Å; M1-Y3 PolarHBondContact O-N 3.46Å; Y3-L5 PolarHBondContact O-N 3.33Å
4	I	40.5	Very low	47.7	Very low	155 Å²	155	124.3 Å²	124.3	80%	0.795	64%	0.642	S	S	*	*			trans	-76.3	102.4	161.3	-58.2	173.6	0	0	0	104.6	R2 P6	R2-I4 PolarHBondContact O-N 2.68Å; I4-P6 WeakPolarHBondContact O-CD 3.41Å
5	L	42.7	Very low	48.1	Very low	123 Å²	123	122.6 Å²	122.6	64%	0.644	63%	0.634	S	S	*	*			trans	-63.4	126.3	175.8	-92.7	152.8	0	0	0	108.9	Y3 F9	Y3-L5 PolarHBondContact O-N 3.33Å; L5-F9 HydrophobicContact CD2-CB 4.23Å; L5-F9 HydrophobicContact CD2-CG 4.37Å
6	P	41	Very low	48.5	Very low	67 Å²	67	121.8 Å²	121.8	44%	0.435	63%	0.63	S	S	.	*			trans	-60.1	142.1	179.6	-19.7	28.7	0	0	0	111.2	I4 S8 F9	I4-P6 WeakPolarHBondContact O-CD 3.41Å; P6-S8 PolarHBondContact O-N 3.37Å; P6-F9 HydrophobicContact CB-CD2 4.17Å; P6-F9 HydrophobicContact CG-CD2 4.01Å; P6-F9 HydrophobicContact CG-CE2 4.23Å; P6-F9 PolarHBondContact O-N 3.3Å
7	S	51.8	Low	48.9	Very low	99 Å²	99	119.5 Å²	119.5	69%	0.692	62%	0.623	S	S	*	*	H	α-helix	trans	-53.7	-21.5	179.6	54.1	0	0	0	0	114.3	F9 L10	S7-F9 VanDerWaalsContact C-N 3.33Å; S7-F9 PolarHBondContact O-N 3.21Å; S7-L10 PolarHBondContact O-N 3.15Å
8	S	55.1	Low	49.2	Very low	78 Å²	78	117.4 Å²	117.4	55%	0.545	61%	0.611	S	S	.	*	H	α-helix	trans	-67.7	-27.2	174.3	55.3	0	0	0	0	114	P6	P6-S8 PolarHBondContact O-N 3.37Å
9	F	49.1	Very low	49.1	Very low	116 Å²	116	116.1 Å²	116.1	51%	0.509	60%	0.604	S	S	.	*	H	α-helix	trans	-80.4	-17.7	177	-76.3	-82	0	0	0	113.3	L5 P6 S7 I11 S12 T13	L5-F9 HydrophobicContact CD2-CB 4.23Å; L5-F9 HydrophobicContact CD2-CG 4.37Å; P6-F9 HydrophobicContact CB-CD2 4.17Å; P6-F9 HydrophobicContact CG-CD2 4.01Å; P6-F9 HydrophobicContact CG-CE2 4.23Å; P6-F9 PolarHBondContact O-N 3.3Å; S7-F9 VanDerWaalsContact C-N 3.33Å; S7-F9 PolarHBondContact O-N 3.21Å; F9-I11 VanDerWaalsContact C-N 3.28Å; F9-I11 PolarHBondContact O-N 3.16Å; F9-S12 PolarHBondContact O-N 3.41Å; F9-T13 WeakPolarHBondContact O-CB 3.38Å; F9-T13 WeakPolarHBondContact O-CG2 3.41Å; F9-T13 PolarHBondContact O-N 2.94Å; F9-T13 PolarHBondContact O-OG1 3.2Å
10	L	48.9	Very low	49	Very low	114 Å²	114	114.6 Å²	114.6	60%	0.597	60%	0.597	S	S	*	*	H	α-helix	trans	-66.2	-33.8	174.8	-67.5	173.8	0	0	0	111.3	S7 T13 C14	S7-L10 PolarHBondContact O-N 3.15Å; L10-T13 WeakPolarHBondContact CA-OG1 3.34Å; L10-T13 PolarHBondContact O-OG1 3.18Å; L10-C14 WeakPolarHBondContact O-CB 3.39Å; L10-C14 PolarHBondContact O-N 2.72Å
11	I	53.7	Low	49	Very low	116 Å²	116	112.4 Å²	112.4	60%	0.595	59%	0.589	S	S	*	*	H	α-helix	trans	-69.5	-44.9	179.1	-56.2	172.4	0	0	0	110.4	F9 C14 L15	F9-I11 VanDerWaalsContact C-N 3.28Å; F9-I11 PolarHBondContact O-N 3.16Å; I11-C14 PolarHBondContact O-N 3.4Å; I11-L15 HydrophobicContact CG2-CD1 4.07Å; I11-L15 WeakPolarHBondContact O-CB 3.26Å; I11-L15 WeakPolarHBondContact O-CG 3.38Å; I11-L15 PolarHBondContact O-N 2.77Å
12	S	62.1	Low	49	Very low	70 Å²	70	110 Å²	110	49%	0.49	57%	0.572	S	S	.	*	H	α-helix	trans	-66.9	-42.4	179.5	178.6	0	0	0	0	112.3	F9 L15 L16	F9-S12 PolarHBondContact O-N 3.41Å; S12-L15 PolarHBondContact O-N 3.12Å; S12-L16 PolarHBondContact O-N 3.1Å
13	T	49.5	Very low	49.4	Very low	76 Å²	76	105.2 Å²	105.2	47%	0.466	56%	0.558	S	S	.	*	H	α-helix	trans	-69.2	-38.7	176.3	50.5	0	0	0	0	112	F9 L10 L16 V17	F9-T13 WeakPolarHBondContact O-CB 3.38Å; F9-T13 WeakPolarHBondContact O-CG2 3.41Å; F9-T13 PolarHBondContact O-N 2.94Å; F9-T13 PolarHBondContact O-OG1 3.2Å; L10-T13 WeakPolarHBondContact CA-OG1 3.34Å; L10-T13 PolarHBondContact O-OG1 3.18Å; T13-L16 PolarHBondContact O-N 2.78Å; T13-V17 VanDerWaalsContact O-CG2 3.31Å; T13-V17 WeakPolarHBondContact O-CG2 3.33Å; T13-V17 PolarHBondContact O-N 3.32Å
14	C	57.7	Low	49.7	Very low	69 Å²	69	103 Å²	103	47%	0.466	55%	0.553	S	S	.	*	H	α-helix	trans	-66.4	-40.9	175.2	-159.3	0	0	0	0	111.5	L10 I11 L16 V17 I18	L10-C14 WeakPolarHBondContact O-CB 3.39Å; L10-C14 PolarHBondContact O-N 2.72Å; I11-C14 PolarHBondContact O-N 3.4Å; C14-L16 VanDerWaalsContact C-N 3.33Å; C14-L16 PolarHBondContact O-N 2.94Å; C14-V17 PolarHBondContact O-N 3.34Å; C14-I18 WeakPolarHBondContact O-CB 3.21Å; C14-I18 WeakPolarHBondContact O-CD1 3.25Å; C14-I18 WeakPolarHBondContact O-CG1 3.45Å; C14-I18 PolarHBondContact O-N 3.22Å
15	L	53.3	Low	49.9	Very low	99 Å²	99	100.7 Å²	100.7	52%	0.518	54%	0.542	S	S	.	.	H	α-helix	trans	-58.2	-44.4	171.6	-87.5	160.7	0	0	0	111.7	I11 S12 I18 L19	I11-L15 HydrophobicContact CG2-CD1 4.07Å; I11-L15 WeakPolarHBondContact O-CB 3.26Å; I11-L15 WeakPolarHBondContact O-CG 3.38Å; I11-L15 PolarHBondContact O-N 2.77Å; S12-L15 PolarHBondContact O-N 3.12Å; L15-I18 PolarHBondContact O-N 3.21Å; L15-L19 WeakPolarHBondContact O-CB 3.44Å; L15-L19 WeakPolarHBondContact O-CD1 3.03Å; L15-L19 PolarHBondContact O-N 3.33Å
16	L	55.5	Low	50.3	Low	109 Å²	109	96.2 Å²	96.2	57%	0.571	52%	0.521	S	S	*	.	H	α-helix	trans	-65.2	-42.4	178.9	-147.4	103.2	0	0	0	111.8	S12 T13 C14 L19 L20	S12-L16 PolarHBondContact O-N 3.1Å; T13-L16 PolarHBondContact O-N 2.78Å; C14-L16 VanDerWaalsContact C-N 3.33Å; C14-L16 PolarHBondContact O-N 2.94Å; L16-L19 PolarHBondContact O-N 3.02Å; L16-L20 HydrophobicContact CD2-CD1 4.17Å; L16-L20 WeakPolarHBondContact O-CB 3.38Å; L16-L20 VanDerWaalsContact O-CG 3.22Å; L16-L20 WeakPolarHBondContact O-CG 3.43Å; L16-L20 PolarHBondContact O-N 3.22Å
17	V	54.6	Low	51	Low	84 Å²	84	98.6 Å²	98.6	51%	0.509	53%	0.526	S	S	.	.	H	α-helix	trans	-65.8	-41.6	175	173.2	0	0	0	0	110.9	T13 C14 L20 T21	T13-V17 VanDerWaalsContact O-CG2 3.31Å; T13-V17 WeakPolarHBondContact O-CG2 3.33Å; T13-V17 PolarHBondContact O-N 3.32Å; C14-V17 PolarHBondContact O-N 3.34Å; V17-L20 PolarHBondContact O-N 3.19Å; V17-T21 HydrophobicContact CG1-CG2 4.26Å; V17-T21 WeakPolarHBondContact O-CB 3.22Å; V17-T21 VanDerWaalsContact O-CG2 3.3Å; V17-T21 WeakPolarHBondContact O-CG2 3.45Å; V17-T21 PolarHBondContact O-N 2.89Å; V17-T21 PolarHBondContact O-OG1 3.36Å; V17-T21 VanDerWaalsContact O-OG1 3.08Å
18	I	54.1	Low	51.5	Low	81 Å²	81	95.5 Å²	95.5	42%	0.415	50%	0.5	S	S	.	.	H	α-helix	trans	-63.9	-43.3	175.9	-68.9	163.9	0	0	0	110.5	C14 L15 T21 K22	C14-I18 WeakPolarHBondContact O-CB 3.21Å; C14-I18 WeakPolarHBondContact O-CD1 3.25Å; C14-I18 WeakPolarHBondContact O-CG1 3.45Å; C14-I18 PolarHBondContact O-N 3.22Å; L15-I18 PolarHBondContact O-N 3.21Å; I18-T21 WeakPolarHBondContact CA-OG1 3.46Å; I18-T21 PolarHBondContact O-N 2.86Å; I18-T21 PolarHBondContact O-OG1 3.42Å; I18-K22 WeakPolarHBondContact O-CB 3.12Å; I18-K22 WeakPolarHBondContact O-CG 3.46Å; I18-K22 PolarHBondContact O-N 2.93Å
19	L	48	Very low	52.1	Low	92 Å²	92	94.4 Å²	94.4	48%	0.482	49%	0.491	S	S	.	.	H	α-helix	trans	-58.7	-49.8	172.8	-94.8	144.3	0	0	0	111	L15 L16 T21 K22 F23	L15-L19 WeakPolarHBondContact O-CB 3.44Å; L15-L19 WeakPolarHBondContact O-CD1 3.03Å; L15-L19 PolarHBondContact O-N 3.33Å; L16-L19 PolarHBondContact O-N 3.02Å; L19-T21 PolarHBondContact O-N 2.88Å; L19-K22 WeakPolarHBondContact O-CB 3.49Å; L19-K22 PolarHBondContact O-N 3.16Å; L19-F23 HydrophobicContact CD2-CE2 3.92Å; L19-F23 WeakPolarHBondContact O-CD2 3.32Å; L19-F23 PolarHBondContact O-N 3.45Å
20	L	47.7	Very low	53.2	Low	86 Å²	86	89.8 Å²	89.8	45%	0.45	47%	0.473	S	S	.	.	H	α-helix	trans	-60.6	-46.7	177.3	-72.1	165.4	0	0	0	111.4	L16 V17 K22 F23 F24	L16-L20 HydrophobicContact CD2-CD1 4.17Å; L16-L20 WeakPolarHBondContact O-CB 3.38Å; L16-L20 VanDerWaalsContact O-CG 3.22Å; L16-L20 WeakPolarHBondContact O-CG 3.43Å; L16-L20 PolarHBondContact O-N 3.22Å; V17-L20 PolarHBondContact O-N 3.19Å; L20-K22 VanDerWaalsContact C-N 3.32Å; L20-K22 PolarHBondContact O-N 2.94Å; L20-F23 CarbonylContact O-C 3.53Å; L20-F23 PolarHBondContact O-N 3.39Å; L20-F23 VanDerWaalsContact O-N 3.14Å; L20-F24 HydrophobicContact CB-CD2 4.46Å; L20-F24 HydrophobicContact CB-CE2 4.35Å; L20-F24 WeakPolarHBondContact O-CD2 3.49Å; L20-F24 PolarHBondContact O-N 3.27Å
21	T	47.3	Very low	53.9	Low	70 Å²	70	90.3 Å²	90.3	43%	0.429	47%	0.472	S	S	.	.	H	α-helix	trans	-65.8	-30.5	176.6	59.1	0	0	0	0	113.4	V17 I18 L19 F24 N25	V17-T21 HydrophobicContact CG1-CG2 4.26Å; V17-T21 WeakPolarHBondContact O-CB 3.22Å; V17-T21 VanDerWaalsContact O-CG2 3.3Å; V17-T21 WeakPolarHBondContact O-CG2 3.45Å; V17-T21 PolarHBondContact O-N 2.89Å; V17-T21 PolarHBondContact O-OG1 3.36Å; V17-T21 VanDerWaalsContact O-OG1 3.08Å; I18-T21 WeakPolarHBondContact CA-OG1 3.46Å; I18-T21 PolarHBondContact O-N 2.86Å; I18-T21 PolarHBondContact O-OG1 3.42Å; L19-T21 PolarHBondContact O-N 2.88Å; T21-F24 PolarHBondContact O-N 3.17Å; T21-N25 PolarHBondContact O-N 3.27Å
22	K	40.9	Very low	54	Low	160 Å²	160	91 Å²	91	70%	0.696	47%	0.472	S	S	*	.	H	α-helix	trans	-67.1	-41.3	170.2	-86.3	-173	172.9	-174	0	111.4	I18 L19 L20 F24 N25	I18-K22 WeakPolarHBondContact O-CB 3.12Å; I18-K22 WeakPolarHBondContact O-CG 3.46Å; I18-K22 PolarHBondContact O-N 2.93Å; L19-K22 WeakPolarHBondContact O-CB 3.49Å; L19-K22 PolarHBondContact O-N 3.16Å; L20-K22 VanDerWaalsContact C-N 3.32Å; L20-K22 PolarHBondContact O-N 2.94Å; K22-F24 VanDerWaalsContact C-N 3.33Å; K22-N25 PolarHBondContact O-N 2.86Å
23	F	45.2	Very low	53.7	Low	144 Å²	144	88.8 Å²	88.8	63%	0.632	46%	0.455	S	S	*	.	H	α-helix	trans	-67	-31.1	173.4	-79.6	-69.6	0	0	0	112.9	L19 L20 N25	L19-F23 HydrophobicContact CD2-CE2 3.92Å; L19-F23 WeakPolarHBondContact O-CD2 3.32Å; L19-F23 PolarHBondContact O-N 3.45Å; L20-F23 CarbonylContact O-C 3.53Å; L20-F23 PolarHBondContact O-N 3.39Å; L20-F23 VanDerWaalsContact O-N 3.14Å; F23-N25 VanDerWaalsContact C-N 3.34Å
24	F	45.1	Very low	53.9	Low	156 Å²	156	94.3 Å²	94.3	68%	0.684	47%	0.472	S	S	*	.	H	α-helix	trans	-78.8	-13.1	176.4	-76.4	-66.3	0	0	0	114.5	L20 T21 K22	L20-F24 HydrophobicContact CB-CD2 4.46Å; L20-F24 HydrophobicContact CB-CE2 4.35Å; L20-F24 WeakPolarHBondContact O-CD2 3.49Å; L20-F24 PolarHBondContact O-N 3.27Å; T21-F24 PolarHBondContact O-N 3.17Å; K22-F24 VanDerWaalsContact C-N 3.33Å
25	N	43.9	Very low	53.8	Low	106 Å²	106	95.2 Å²	95.2	57%	0.567	47%	0.473	S	S	*	.			trans	-99.8	55.2	174.3	-82.6	-21.9	0	0	0	110.7	T21 K22 F23 Q27	T21-N25 PolarHBondContact O-N 3.27Å; K22-N25 PolarHBondContact O-N 2.86Å; F23-N25 VanDerWaalsContact C-N 3.34Å; N25-Q27 VanDerWaalsContact C-N 3.33Å; N25-Q27 HydrophobicContact CB-CG 4.34Å; N25-Q27 PolarHBondContact O-N 3.5Å
26	C	51.3	Low	54.1	Low	29 Å²	29	91.4 Å²	91.4	20%	0.196	45%	0.453	C	S	.	.			trans	-63.2	106	156.4	-87.2	0	0	0	0	106.1	M238 N241 C249	C26-M238 WeakPolarHBondContact O-CE 3.36Å; C26-N241 PolarHBondContact SG-OD1 3.3Å; C26-N241 VanDerWaalsContact SG-OD1 3.38Å; C26-C249 WeakPolarHBondContact CB-SG 3.41Å; C26-C249 WeakPolarHBondContact SG-CB 3.34Å; C26-C249 CovalentContact SG-SG 2.09Å; C26-C249 PolarHBondContact SG-SG 3.42Å
27	Q	56.1	Low	54.9	Low	116 Å²	116	94.3 Å²	94.3	54%	0.542	46%	0.461	S	S	.	.			trans	-93.9	121.5	-177.3	-74.2	177.4	-18.1	0	0	108.9	N25 T29 L162	N25-Q27 VanDerWaalsContact C-N 3.33Å; N25-Q27 HydrophobicContact CB-CG 4.34Å; N25-Q27 PolarHBondContact O-N 3.5Å; Q27-T29 PolarHBondContact O-N 2.64Å; Q27-L162 HydrophobicContact CB-CD1 3.45Å; Q27-L162 VanDerWaalsContact CB-CD1 3.45Å; Q27-L162 HydrophobicContact CB-CG 3.98Å; Q27-L162 HydrophobicContact CG-CD1 3.69Å; Q27-L162 HydrophobicContact CG-CG 4.45Å
28	F	62.3	Low	56.2	Low	34 Å²	34	91.9 Å²	91.9	15%	0.149	44%	0.443	C	S	.	.			trans	-69.7	110	-175.6	-161.2	-141.7	0	0	0	110.2	I33 Y159 C161 L162 R230 M238	F28-I33 HydrophobicContact CD1-CD1 3.99Å; F28-I33 HydrophobicContact CE1-CD1 3.17Å; F28-I33 HydrophobicContact CE1-CG1 4.49Å; F28-I33 HydrophobicContact CE2-CD1 3.97Å; F28-I33 HydrophobicContact CZ-CD1 3.16Å; F28-I33 HydrophobicContact CZ-CG1 4.11Å; F28-Y159 AromaticContact CD1-CD2 3.68Å; F28-Y159 HydrophobicContact CD1-CD2 3.68Å; F28-Y159 AromaticContact CD1-CE2 3.77Å; F28-Y159 HydrophobicContact CD1-CE2 3.77Å; F28-Y159 AromaticContact CE1-CD2 3.29Å; F28-Y159 HydrophobicContact CE1-CD2 3.29Å; F28-Y159 AromaticContact CE1-CE2 3.28Å; F28-Y159 HydrophobicContact CE1-CE2 3.28Å; F28-Y159 HydrophobicContact CE1-CG 4.29Å; F28-Y159 HydrophobicContact CZ-CD2 4.5Å; F28-Y159 HydrophobicContact CZ-CE2 4.35Å; F28-C161 HydrophobicContact CB-CB 4.16Å; F28-C161 HydrophobicContact CD1-CB 3.54Å; F28-C161 HydrophobicContact CE1-CB 4.39Å; F28-C161 HydrophobicContact CG-CB 4.17Å; F28-C161 CarbonylContact O-C 3.58Å; F28-C161 WeakPolarHBondContact O-CA 3.48Å; F28-C161 VanDerWaalsContact O-CB 3.27Å; F28-C161 WeakPolarHBondContact O-CB 3.49Å; F28-L162 PolarHBondContact O-N 3.15Å; F28-R230 HydrophobicContact CZ-CG 4.47Å; F28-M238 HydrophobicContact CB-CE 3.49Å; F28-M238 VanDerWaalsContact CB-CE 3.49Å; F28-M238 HydrophobicContact CB-SD 3.53Å; F28-M238 VanDerWaalsContact CB-SD 3.53Å; F28-M238 HydrophobicContact CD1-SD 4.38Å; F28-M238 HydrophobicContact CD2-CE 4.22Å; F28-M238 HydrophobicContact CD2-CG 4.19Å; F28-M238 HydrophobicContact CD2-SD 3.53Å; F28-M238 VanDerWaalsContact CD2-SD 3.53Å; F28-M238 HydrophobicContact CE2-SD 4.27Å; F28-M238 HydrophobicContact CG-CE 4.2Å; F28-M238 HydrophobicContact CG-SD 3.61Å
29	T	68.6	Low	57.9	Low	56 Å²	56	92.7 Å²	92.7	34%	0.344	45%	0.445	S	S	.	.	B	Isolated β-bridge	trans	-84.3	135.4	175	54.7	0	0	0	0	111	Q27 E31 H32 L162	Q27-T29 PolarHBondContact O-N 2.64Å; T29-E31 PolarHBondContact O-N 3.11Å; T29-H32 PolarHBondContact OG1-CD2 3.16Å; T29-L162 CarbonylContact C-O 3.55Å; T29-L162 VanDerWaalsContact CA-O 3.29Å; T29-L162 WeakPolarHBondContact CA-O 3.47Å
30	C	70.8	Confident	60.1	Low	19 Å²	19	94 Å²	94	13%	0.128	45%	0.447	C	S	.	.	G	3₁₀ helix	trans	-66.9	-19.3	-177.5	-47.6	0	0	0	0	113.1	H32 I33 C161 L162 V169 E171	C30-H32 PolarHBondContact O-N 2.82Å; C30-H32 VanDerWaalsContact O-N 3.16Å; C30-I33 PolarHBondContact O-N 2.89Å; C30-C161 HydrophobicContact CB-CB 4.1Å; C30-C161 WeakPolarHBondContact CB-SG 3.31Å; C30-C161 WeakPolarHBondContact SG-CB 3.15Å; C30-C161 CovalentContact SG-SG 2.04Å; C30-C161 PolarHBondContact SG-SG 2.93Å; C30-L162 PolarHBondContact N-O 3.14Å; C30-L162 PolarHBondContact SG-O 2.95Å; C30-V169 WeakPolarHBondContact SG-CG2 3.05Å; C30-E171 HydrophobicContact CB-CG 4.13Å
31	E	63.7	Low	62.4	Low	125 Å²	125	93.9 Å²	93.9	58%	0.584	45%	0.446	S	S	*	.	G	3₁₀ helix	trans	-61.5	-23.3	-175.6	-67.8	-166.3	140.3	0	0	114.3	T29 I33 K164	T29-E31 PolarHBondContact O-N 3.11Å; E31-I33 PolarHBondContact O-N 3.41Å; E31-K164 HydrophobicContact CG-CG 4.11Å; E31-K164 WeakPolarHBondContact OE1-CD 3.25Å; E31-K164 WeakPolarHBondContact OE1-CE 3.25Å; E31-K164 WeakPolarHBondContact OE1-CG 3.26Å; E31-K164 IonicContact OE1-NZ 3.21Å; E31-K164 PolarHBondContact OE1-NZ 2.81Å
32	H	57.1	Low	64.8	Low	130 Å²	130	94.6 Å²	94.6	60%	0.602	45%	0.446	S	S	*	.	G	3₁₀ helix	trans	-80.1	1.3	179.9	-74.2	-72.8	0	0	0	114	T29 C30	T29-H32 PolarHBondContact OG1-CD2 3.16Å; C30-H32 PolarHBondContact O-N 2.82Å; C30-H32 VanDerWaalsContact O-N 3.16Å
33	I	54.5	Low	67.5	Low	24 Å²	24	89.7 Å²	89.7	12%	0.123	43%	0.432	C	S	.	.			trans	-126.8	96.6	-162.9	-53.4	160.5	0	0	0	109.9	F28 C30 E31 Y159 R230	F28-I33 HydrophobicContact CD1-CD1 3.99Å; F28-I33 HydrophobicContact CE1-CD1 3.17Å; F28-I33 HydrophobicContact CE1-CG1 4.49Å; F28-I33 HydrophobicContact CE2-CD1 3.97Å; F28-I33 HydrophobicContact CZ-CD1 3.16Å; F28-I33 HydrophobicContact CZ-CG1 4.11Å; C30-I33 PolarHBondContact O-N 2.89Å; E31-I33 PolarHBondContact O-N 3.41Å; I33-Y159 VanDerWaalsContact CB-OH 3.3Å; I33-Y159 WeakPolarHBondContact CB-OH 3.35Å; I33-Y159 HydrophobicContact CD1-CD2 4.43Å; I33-Y159 HydrophobicContact CD1-CE2 3.35Å; I33-Y159 VanDerWaalsContact CD1-CZ 3.47Å; I33-Y159 WeakPolarHBondContact CD1-OH 3.4Å; I33-Y159 HydrophobicContact CG2-CE1 4.28Å; I33-Y159 WeakPolarHBondContact CG2-OH 3.43Å; I33-R230 HydrophobicContact CG1-CG 4.43Å; I33-R230 HydrophobicContact CG2-CG 4.37Å
34	K	54.3	Low	70	Confident	191 Å²	191	87.1 Å²	87.1	83%	0.83	42%	0.422	S	S	*	.			trans	-70.5	139.2	160.4	-71.4	-177.8	179.6	177.9	0	108.1	V36	K34-V36 PolarHBondContact O-N 2.91Å
35	N	55.7	Low	72.5	Confident	89 Å²	89	83.7 Å²	83.7	48%	0.476	41%	0.411	S	S	.	.			trans	-48.5	113.9	168.2	-76.1	-40.8	0	0	0	109	K37 P172	N35-K37 HydrophobicContact CB-CG 4.41Å; N35-K37 PolarHBondContact O-N 3.02Å; N35-K37 VanDerWaalsContact O-N 3.15Å; N35-P172 PolarHBondContact OD1-O 2.77Å
36	V	59.6	Low	75	Confident	18 Å²	18	82.8 Å²	82.8	11%	0.109	42%	0.418	C	S	.	.			trans	-79.3	103	171.4	-172.7	0	0	0	0	106.6	K34 Y38 M215 R230	K34-V36 PolarHBondContact O-N 2.91Å; V36-Y38 PolarHBondContact O-N 3.08Å; V36-M215 HydrophobicContact CB-CE 3.76Å; V36-M215 HydrophobicContact CB-SD 4.4Å; V36-M215 HydrophobicContact CG1-CE 3.32Å; V36-M215 HydrophobicContact CG1-SD 3.92Å; V36-M215 HydrophobicContact CG2-CE 4.1Å; V36-M215 HydrophobicContact CG2-SD 4.14Å; V36-R230 VanDerWaalsContact CG2-NH2 3.28Å
37	K	71.7	Confident	77.2	Confident	171 Å²	171	84.6 Å²	84.6	74%	0.743	43%	0.428	S	S	*	.			trans	-98.8	73.5	172.3	-67.4	-173.3	178.7	-174.8	0	108	N35 E39	N35-K37 HydrophobicContact CB-CG 4.41Å; N35-K37 PolarHBondContact O-N 3.02Å; N35-K37 VanDerWaalsContact O-N 3.15Å; K37-E39 PolarHBondContact O-N 3.13Å
38	Y	82.8	Confident	79.2	Confident	32 Å²	32	82.1 Å²	82.1	13%	0.125	42%	0.415	C	S	.	.			trans	-83.5	113.2	170.4	-177.3	-85.6	0	0	0	108.6	V36 K40 D52 H53 K212	V36-Y38 PolarHBondContact O-N 3.08Å; Y38-K40 HydrophobicContact CE1-CB 4.18Å; Y38-D52 HydrophobicContact CE1-CB 4.32Å; Y38-D52 WeakPolarHBondContact CE1-O 2.79Å; Y38-H53 WeakPolarHBondContact O-CA 3.1Å; Y38-K212 HydrophobicContact CE1-CD 4.21Å; Y38-K212 HydrophobicContact CE2-CB 4.14Å; Y38-K212 HydrophobicContact CE2-CD 4.22Å
39	E	89.8	Confident	80.9	Confident	99 Å²	99	81.7 Å²	81.7	46%	0.463	41%	0.412	S	S	.	.			trans	-135.1	126	168.4	176.3	178.5	-164.1	0	0	108.3	K37 R49 D52 H53	K37-E39 PolarHBondContact O-N 3.13Å; E39-R49 IonicContact OE1-NH1 3.03Å; E39-R49 PolarHBondContact OE1-NH1 3.24Å; E39-D52 WeakPolarHBondContact CA-O 2.9Å; E39-H53 IonicContact OE1-CE1 3.41Å
40	K	93.2	Very high	82.4	Confident	120 Å²	120	81.7 Å²	81.7	52%	0.522	41%	0.406	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-123.9	110.1	169.5	-179.5	-177.2	178.1	-175.9	0	109.2	Y38 I42 S51 D52	Y38-K40 HydrophobicContact CE1-CB 4.18Å; K40-I42 PolarHBondContact O-N 3.37Å; K40-S51 CarbonylContact O-C 3.59Å; K40-S51 VanDerWaalsContact O-CA 3.3Å; K40-S51 WeakPolarHBondContact O-CA 3.15Å; K40-D52 HydrophobicContact CB-CB 4.32Å; K40-D52 PolarHBondContact N-O 2.83Å; K40-D52 PolarHBondContact O-N 2.81Å
41	I	96.6	Very high	83.6	Confident	83 Å²	83	80.8 Å²	80.8	43%	0.426	40%	0.4	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-71	120.6	172	-57.2	173.2	0	0	0	108.2	E44	I41-E44 HydrophobicContact CG2-CB 3.98Å
42	I	97.3	Very high	85.1	Confident	84 Å²	84	75.5 Å²	75.5	43%	0.431	38%	0.376	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-93.1	-40.8	-179.6	-64.1	167.9	0	0	0	110.2	K40 Y50 D52 F57	K40-I42 PolarHBondContact O-N 3.37Å; I42-Y50 HydrophobicContact CB-CD1 3.65Å; I42-Y50 HydrophobicContact CB-CE1 4.18Å; I42-Y50 HydrophobicContact CB-CG 4.49Å; I42-Y50 HydrophobicContact CD1-CD1 3.75Å; I42-Y50 HydrophobicContact CD1-CE1 3.41Å; I42-Y50 VanDerWaalsContact CD1-CE1 3.41Å; I42-Y50 HydrophobicContact CG1-CD1 4.28Å; I42-Y50 HydrophobicContact CG1-CE1 4.39Å; I42-Y50 HydrophobicContact CG2-CD1 3.67Å; I42-Y50 HydrophobicContact CG2-CE1 4.04Å; I42-Y50 PolarHBondContact N-O 3.12Å; I42-D52 HydrophobicContact CD1-CB 3.99Å; I42-F57 HydrophobicContact CD1-CD1 4.28Å; I42-F57 HydrophobicContact CD1-CE1 4.23Å
43	S	97.9	Very high	86.7	Confident	58 Å²	58	69.6 Å²	69.6	41%	0.406	35%	0.349	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-154.8	140	178.5	-177.2	0	0	0	0	110.1	R49 Y50	S43-R49 CarbonylContact O-C 3.54Å; S43-R49 WeakPolarHBondContact O-CA 3.13Å; S43-Y50 PolarHBondContact N-O 3.36Å; S43-Y50 VanDerWaalsContact N-O 3.16Å; S43-Y50 PolarHBondContact O-N 3.26Å
44	E	98.1	Very high	88.2	Confident	89 Å²	89	68.5 Å²	68.5	42%	0.416	34%	0.343	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-150.3	142.2	179	176.4	168.5	123.1	0	0	111.6	I41 Y48 R49	I41-E44 HydrophobicContact CG2-CB 3.98Å; E44-Y48 CarbonylContact C-O 3.47Å; E44-Y48 WeakPolarHBondContact CA-O 3.34Å; E44-R49 IonicContact OE1-NH2 3.11Å; E44-R49 IonicContact OE2-CZ 2.87Å; E44-R49 IonicContact OE2-NE 3.65Å; E44-R49 PolarHBondContact OE2-NE 2.92Å; E44-R49 IonicContact OE2-NH2 3.83Å; E44-R49 PolarHBondContact OE2-NH2 3.45Å
45	N	97.3	Very high	89.7	Confident	84 Å²	84	59.8 Å²	59.8	45%	0.449	31%	0.305	S	S	.	.			trans	-144.8	-167.7	163.2	67.4	43.5	0	0	0	109.7	T47 Y48	N45-T47 VanDerWaalsContact C-N 3.27Å; N45-T47 PolarHBondContact O-N 2.77Å; N45-T47 PolarHBondContact OD1-N 3.35Å; N45-T47 PolarHBondContact OD1-OG1 2.86Å; N45-Y48 PolarHBondContact N-O 3.15Å; N45-Y48 VanDerWaalsContact O-O 3.14Å; N45-Y48 WeakPolarHBondContact OD1-CB 3.42Å; N45-Y48 PolarHBondContact OD1-N 2.81Å
46	A	96.9	Very high	91.5	Very high	87 Å²	87	58 Å²	58	72%	0.719	29%	0.292	S	S	*	.	S	Bend	trans	-63.6	-25.1	-176.3	0	0	0	0	0	115.1	L62	A46-L62 WeakPolarHBondContact O-CD1 2.98Å
47	T	97.3	Very high	93.2	Very high	67 Å²	67	59 Å²	59	41%	0.411	30%	0.295	S	S	.	.	S	Bend	trans	-121.9	-1.6	-174.7	60.3	0	0	0	0	113.8	N45 L62	N45-T47 VanDerWaalsContact C-N 3.27Å; N45-T47 PolarHBondContact O-N 2.77Å; N45-T47 PolarHBondContact OD1-N 3.35Å; N45-T47 PolarHBondContact OD1-OG1 2.86Å; T47-L62 HydrophobicContact CG2-CB 4.44Å; T47-L62 HydrophobicContact CG2-CD1 4.38Å; T47-L62 PolarHBondContact O-N 3.37Å
48	Y	98.3	Very high	94.4	Very high	64 Å²	64	50.9 Å²	50.9	25%	0.251	26%	0.26	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-142.4	139.3	-174.2	179.4	-97	0	0	0	112.1	E44 N45 Y50 T59 I60 R61	E44-Y48 CarbonylContact C-O 3.47Å; E44-Y48 WeakPolarHBondContact CA-O 3.34Å; N45-Y48 PolarHBondContact N-O 3.15Å; N45-Y48 VanDerWaalsContact O-O 3.14Å; N45-Y48 WeakPolarHBondContact OD1-CB 3.42Å; N45-Y48 PolarHBondContact OD1-N 2.81Å; Y48-Y50 WeakPolarHBondContact OH-CB 3.42Å; Y48-T59 HydrophobicContact CD2-CG2 4.38Å; Y48-T59 HydrophobicContact CE2-CG2 3.49Å; Y48-T59 VanDerWaalsContact CE2-CG2 3.49Å; Y48-I60 VanDerWaalsContact CA-O 3.3Å; Y48-I60 WeakPolarHBondContact CA-O 3.41Å; Y48-I60 WeakPolarHBondContact CD2-O 3.41Å; Y48-R61 HydrophobicContact CD2-CG 3.95Å; Y48-R61 HydrophobicContact CE2-CG 4.25Å
49	R	98.6	Very high	95.2	Very high	26 Å²	26	49.7 Å²	49.7	10%	0.098	26%	0.256	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-138.9	134.8	166	176.9	-174.9	-77.4	-150	-4.2	109.7	E39 S43 E44 T59 I60 F182	E39-R49 IonicContact OE1-NH1 3.03Å; E39-R49 PolarHBondContact OE1-NH1 3.24Å; S43-R49 CarbonylContact O-C 3.54Å; S43-R49 WeakPolarHBondContact O-CA 3.13Å; E44-R49 IonicContact OE1-NH2 3.11Å; E44-R49 IonicContact OE2-CZ 2.87Å; E44-R49 IonicContact OE2-NE 3.65Å; E44-R49 PolarHBondContact OE2-NE 2.92Å; E44-R49 IonicContact OE2-NH2 3.83Å; E44-R49 PolarHBondContact OE2-NH2 3.45Å; R49-T59 CarbonylContact O-C 3.6Å; R49-T59 WeakPolarHBondContact O-CA 3.42Å; R49-I60 HydrophobicContact CB-CB 4.25Å; R49-I60 HydrophobicContact CB-CD1 4.3Å; R49-I60 HydrophobicContact CB-CG1 4.5Å; R49-I60 PolarHBondContact N-O 3.05Å; R49-I60 PolarHBondContact O-N 2.91Å; R49-F182 HydrophobicContact CB-CE2 4Å; R49-F182 HydrophobicContact CB-CZ 3.89Å
50	Y	98.6	Very high	95.6	Very high	56 Å²	56	45 Å²	45	22%	0.22	23%	0.234	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-124	127.3	168	-177.1	-125.3	0	0	0	109.9	I42 S43 Y48 F57 Q58 T59	I42-Y50 HydrophobicContact CB-CD1 3.65Å; I42-Y50 HydrophobicContact CB-CE1 4.18Å; I42-Y50 HydrophobicContact CB-CG 4.49Å; I42-Y50 HydrophobicContact CD1-CD1 3.75Å; I42-Y50 HydrophobicContact CD1-CE1 3.41Å; I42-Y50 VanDerWaalsContact CD1-CE1 3.41Å; I42-Y50 HydrophobicContact CG1-CD1 4.28Å; I42-Y50 HydrophobicContact CG1-CE1 4.39Å; I42-Y50 HydrophobicContact CG2-CD1 3.67Å; I42-Y50 HydrophobicContact CG2-CE1 4.04Å; I42-Y50 PolarHBondContact N-O 3.12Å; S43-Y50 PolarHBondContact N-O 3.36Å; S43-Y50 VanDerWaalsContact N-O 3.16Å; S43-Y50 PolarHBondContact O-N 3.26Å; Y48-Y50 WeakPolarHBondContact OH-CB 3.42Å; Y50-F57 HydrophobicContact CE2-CB 3.71Å; Y50-F57 HydrophobicContact CE2-CD1 4.28Å; Y50-F57 HydrophobicContact CE2-CG 4.22Å; Y50-F57 AromaticContact CZ-CD1 3.86Å; Y50-F57 WeakPolarHBondContact OH-CD1 3.47Å; Y50-F57 WeakPolarHBondContact OH-CG 3.48Å; Y50-Q58 WeakPolarHBondContact CA-O 3.35Å; Y50-T59 HydrophobicContact CD2-CG2 4.47Å; Y50-T59 VanDerWaalsContact CD2-OG1 3.25Å; Y50-T59 WeakPolarHBondContact CD2-OG1 3.3Å
51	S	97.4	Very high	95.8	Very high	0 Å²	0	42.8 Å²	42.8	0%	0	22%	0.222	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-146.6	146.3	-172.4	48.9	0	0	0	0	112.2	K40 H53 F57 Q58	K40-S51 CarbonylContact O-C 3.59Å; K40-S51 VanDerWaalsContact O-CA 3.3Å; K40-S51 WeakPolarHBondContact O-CA 3.15Å; S51-H53 WeakPolarHBondContact CB-NE2 3.21Å; S51-H53 PolarHBondContact OG-NE2 2.85Å; S51-F57 CarbonylContact O-C 3.53Å; S51-F57 VanDerWaalsContact O-CA 3.32Å; S51-F57 WeakPolarHBondContact O-CA 3.46Å; S51-Q58 PolarHBondContact N-O 3.26Å; S51-Q58 PolarHBondContact O-N 2.88Å; S51-Q58 PolarHBondContact OG-O 3.25Å; S51-Q58 PolarHBondContact OG-OE1 3.23Å
52	D	93.9	Very high	95.9	Very high	13 Å²	13	39.4 Å²	39.4	7%	0.07	21%	0.205	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-99.2	119.5	175.4	176.2	-4.6	0	0	0	109.2	Y38 E39 K40 I42 Y54 F57 K212	Y38-D52 HydrophobicContact CE1-CB 4.32Å; Y38-D52 WeakPolarHBondContact CE1-O 2.79Å; E39-D52 WeakPolarHBondContact CA-O 2.9Å; K40-D52 HydrophobicContact CB-CB 4.32Å; K40-D52 PolarHBondContact N-O 2.83Å; K40-D52 PolarHBondContact O-N 2.81Å; I42-D52 HydrophobicContact CD1-CB 3.99Å; D52-Y54 WeakPolarHBondContact OD1-CA 3.28Å; D52-Y54 PolarHBondContact OD1-N 3.26Å; D52-F57 HydrophobicContact CB-CD1 3.84Å; D52-F57 HydrophobicContact CB-CE1 3.69Å; D52-K212 VanDerWaalsContact CG-NZ 3.26Å; D52-K212 IonicContact OD1-NZ 3.71Å; D52-K212 PolarHBondContact OD1-NZ 2.82Å; D52-K212 VanDerWaalsContact OD1-NZ 3.08Å; D52-K212 IonicContact OD2-NZ 3.88Å; D52-K212 PolarHBondContact OD2-NZ 2.87Å
53	H	90.5	Very high	95.8	Very high	7 Å²	7	41.6 Å²	41.6	3%	0.032	22%	0.218	C	C	.	.			trans	-113.9	35.1	178.7	-62.7	-93.8	0	0	0	111.5	Y38 E39 S51 E55 Y56 N174 I176	Y38-H53 WeakPolarHBondContact O-CA 3.1Å; E39-H53 IonicContact OE1-CE1 3.41Å; S51-H53 WeakPolarHBondContact CB-NE2 3.21Å; S51-H53 PolarHBondContact OG-NE2 2.85Å; H53-E55 PolarHBondContact O-N 3.08Å; H53-Y56 WeakPolarHBondContact CA-O 3.4Å; H53-Y56 WeakPolarHBondContact CB-O 3.48Å; H53-Y56 PolarHBondContact N-O 2.87Å; H53-N174 PolarHBondContact O-ND2 3.05Å; H53-I176 HydrophobicContact CB-CD1 3.43Å; H53-I176 VanDerWaalsContact CB-CD1 3.43Å; H53-I176 HydrophobicContact CB-CG1 3.61Å; H53-I176 HydrophobicContact CB-CG2 4.2Å
54	Y	87	Confident	95.7	Very high	0 Å²	0	42.2 Å²	42.2	0%	0	21%	0.214	C	C	.	.	S	Bend	trans	69.9	-58.7	179.1	-167.1	-98.1	0	0	0	115.1	D52 N194 S197 C198 K212 M215 C217	D52-Y54 WeakPolarHBondContact OD1-CA 3.28Å; D52-Y54 PolarHBondContact OD1-N 3.26Å; Y54-N194 WeakPolarHBondContact O-CB 3.14Å; Y54-N194 PolarHBondContact O-ND2 2.74Å; Y54-S197 PolarHBondContact O-OG 2.98Å; Y54-C198 PolarHBondContact OH-N 3.32Å; Y54-C198 PolarHBondContact OH-SG 3.42Å; Y54-K212 HydrophobicContact CD2-CB 4.41Å; Y54-K212 HydrophobicContact CD2-CD 3.88Å; Y54-K212 HydrophobicContact CD2-CG 4.32Å; Y54-K212 HydrophobicContact CE2-CB 4.18Å; Y54-K212 HydrophobicContact CE2-CD 4.02Å; Y54-K212 HydrophobicContact CE2-CG 4.01Å; Y54-M215 HydrophobicContact CD1-CE 3.62Å; Y54-M215 HydrophobicContact CD1-CG 3.85Å; Y54-M215 HydrophobicContact CD2-CB 3.79Å; Y54-M215 HydrophobicContact CD2-CE 4.47Å; Y54-M215 HydrophobicContact CD2-CG 3.65Å; Y54-M215 HydrophobicContact CE1-CE 4.03Å; Y54-M215 HydrophobicContact CE1-CG 3.5Å; Y54-M215 VanDerWaalsContact CE1-CG 3.5Å; Y54-M215 HydrophobicContact CE1-SD 4.36Å; Y54-M215 HydrophobicContact CE2-CB 3.59Å; Y54-M215 HydrophobicContact CE2-CG 3.3Å; Y54-M215 HydrophobicContact CG-CB 4.43Å; Y54-M215 HydrophobicContact CG-CE 3.89Å; Y54-M215 HydrophobicContact CG-CG 3.94Å; Y54-C217 PolarHBondContact OH-SG 2.83Å
55	E	86.4	Confident	95.3	Very high	9 Å²	9	44.7 Å²	44.7	4%	0.042	23%	0.23	C	C	.	.	S	Bend	trans	-94.5	-23.5	179.4	-62.8	-163	160.6	0	0	114	H53 Y173 N194 S197 F199 D231	H53-E55 PolarHBondContact O-N 3.08Å; E55-Y173 HydrophobicContact CG-CE1 4.29Å; E55-Y173 WeakPolarHBondContact OE1-CE1 3.39Å; E55-Y173 VanDerWaalsContact OE1-CZ 3.25Å; E55-Y173 PolarHBondContact OE1-OH 3.09Å; E55-Y173 WeakPolarHBondContact OE2-CE1 3.32Å; E55-N194 PolarHBondContact O-N 2.8Å; E55-S197 WeakPolarHBondContact CA-OG 3.29Å; E55-F199 HydrophobicContact CB-CE1 4.38Å; E55-F199 HydrophobicContact CG-CE1 4Å; E55-D231 WeakPolarHBondContact OE1-CB 3.26Å
56	Y	91.9	Very high	94.8	Very high	51 Å²	51	43.1 Å²	43.1	20%	0.2	23%	0.225	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-135.6	143.3	177.9	-74.4	-93.2	0	0	0	109.7	H53 M135 I176 F191 E192 P193	H53-Y56 WeakPolarHBondContact CA-O 3.4Å; H53-Y56 WeakPolarHBondContact CB-O 3.48Å; H53-Y56 PolarHBondContact N-O 2.87Å; Y56-M135 HydrophobicContact CD1-CE 4.15Å; Y56-M135 HydrophobicContact CE1-CE 3.5Å; Y56-M135 VanDerWaalsContact CE1-CE 3.5Å; Y56-M135 HydrophobicContact CE2-CE 4.27Å; Y56-I176 HydrophobicContact CD2-CD1 4.33Å; Y56-I176 HydrophobicContact CG-CD1 4.42Å; Y56-F191 HydrophobicContact CD1-CB 3.76Å; Y56-F191 HydrophobicContact CE1-CB 4.4Å; Y56-F191 HydrophobicContact CG-CB 4.37Å; Y56-E192 CarbonylContact C-O 3.55Å; Y56-E192 VanDerWaalsContact CA-O 3.24Å; Y56-E192 WeakPolarHBondContact CA-O 3.27Å; Y56-E192 VanDerWaalsContact CD1-C 3.48Å; Y56-P193 HydrophobicContact CD1-CG 4.39Å; Y56-P193 HydrophobicContact CE1-CB 4.27Å; Y56-P193 HydrophobicContact CE1-CG 3.76Å
57	F	95.6	Very high	94.1	Very high	39 Å²	39	40.5 Å²	40.5	17%	0.171	20%	0.2	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-83.7	136.3	156	-62.2	-74.7	0	0	0	108.7	I42 Y50 S51 D52 F191 E192 N194	I42-F57 HydrophobicContact CD1-CD1 4.28Å; I42-F57 HydrophobicContact CD1-CE1 4.23Å; Y50-F57 HydrophobicContact CE2-CB 3.71Å; Y50-F57 HydrophobicContact CE2-CD1 4.28Å; Y50-F57 HydrophobicContact CE2-CG 4.22Å; Y50-F57 AromaticContact CZ-CD1 3.86Å; Y50-F57 WeakPolarHBondContact OH-CD1 3.47Å; Y50-F57 WeakPolarHBondContact OH-CG 3.48Å; S51-F57 CarbonylContact O-C 3.53Å; S51-F57 VanDerWaalsContact O-CA 3.32Å; S51-F57 WeakPolarHBondContact O-CA 3.46Å; D52-F57 HydrophobicContact CB-CD1 3.84Å; D52-F57 HydrophobicContact CB-CE1 3.69Å; F57-F191 VanDerWaalsContact O-CA 3.31Å; F57-F191 WeakPolarHBondContact O-CA 2.85Å; F57-E192 PolarHBondContact N-O 3.4Å; F57-E192 PolarHBondContact O-N 2.88Å; F57-N194 HydrophobicContact CD2-CB 4.07Å; F57-N194 HydrophobicContact CE2-CB 3.72Å; F57-N194 WeakPolarHBondContact CE2-OD1 3.32Å; F57-N194 HydrophobicContact CZ-CB 4.29Å
58	Q	97.6	Very high	93.1	Very high	0 Å²	0	43 Å²	43	0%	0	22%	0.215	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-109.4	122.4	173.8	-178.5	-169.6	62.5	0	0	108.9	Y50 S51 I60 I176 Q177 V189 E190 F191	Y50-Q58 WeakPolarHBondContact CA-O 3.35Å; S51-Q58 PolarHBondContact N-O 3.26Å; S51-Q58 PolarHBondContact O-N 2.88Å; S51-Q58 PolarHBondContact OG-O 3.25Å; S51-Q58 PolarHBondContact OG-OE1 3.23Å; Q58-I60 HydrophobicContact CG-CD1 4.43Å; Q58-I60 HydrophobicContact CG-CG1 4.04Å; Q58-I176 HydrophobicContact CB-CG2 4.36Å; Q58-Q177 PolarHBondContact NE2-O 2.83Å; Q58-V189 HydrophobicContact CG-CG1 3.8Å; Q58-E190 CarbonylContact C-O 3.57Å; Q58-E190 WeakPolarHBondContact CA-O 3.39Å; Q58-F191 HydrophobicContact CB-CD1 4.16Å; Q58-F191 HydrophobicContact CB-CE1 4.11Å; Q58-F191 HydrophobicContact CG-CD1 4.2Å; Q58-F191 HydrophobicContact CG-CE1 3.78Å; Q58-F191 HydrophobicContact CG-CZ 4.32Å
59	T	98.4	Very high	91.7	Very high	8 Å²	8	40.3 Å²	40.3	5%	0.049	21%	0.205	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-113.6	124.7	170.3	-48.4	0	0	0	0	110	Y48 R49 Y50 R61 V189 E190	Y48-T59 HydrophobicContact CD2-CG2 4.38Å; Y48-T59 HydrophobicContact CE2-CG2 3.49Å; Y48-T59 VanDerWaalsContact CE2-CG2 3.49Å; R49-T59 CarbonylContact O-C 3.6Å; R49-T59 WeakPolarHBondContact O-CA 3.42Å; Y50-T59 HydrophobicContact CD2-CG2 4.47Å; Y50-T59 VanDerWaalsContact CD2-OG1 3.25Å; Y50-T59 WeakPolarHBondContact CD2-OG1 3.3Å; T59-R61 HydrophobicContact CG2-CG 4.4Å; T59-R61 VanDerWaalsContact CG2-CZ 3.43Å; T59-V189 CarbonylContact O-C 3.57Å; T59-V189 WeakPolarHBondContact O-CA 3.39Å; T59-E190 PolarHBondContact N-O 3.02Å; T59-E190 PolarHBondContact O-N 2.89Å
60	I	98.4	Very high	90.3	Very high	0 Å²	0	40.3 Å²	40.3	0%	0	21%	0.209	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-114.4	131.8	178.1	-55.2	176.1	0	0	0	108.3	Y48 R49 Q58 I178 P179 F182 T187 L188 V189	Y48-I60 VanDerWaalsContact CA-O 3.3Å; Y48-I60 WeakPolarHBondContact CA-O 3.41Å; Y48-I60 WeakPolarHBondContact CD2-O 3.41Å; R49-I60 HydrophobicContact CB-CB 4.25Å; R49-I60 HydrophobicContact CB-CD1 4.3Å; R49-I60 HydrophobicContact CB-CG1 4.5Å; R49-I60 PolarHBondContact N-O 3.05Å; R49-I60 PolarHBondContact O-N 2.91Å; Q58-I60 HydrophobicContact CG-CD1 4.43Å; Q58-I60 HydrophobicContact CG-CG1 4.04Å; I60-I178 HydrophobicContact CD1-CG2 4.14Å; I60-P179 VanDerWaalsContact CD1-CD 3.49Å; I60-P179 HydrophobicContact CD1-CG 4.33Å; I60-F182 HydrophobicContact CB-CD1 4.41Å; I60-F182 HydrophobicContact CD1-CB 4.34Å; I60-F182 HydrophobicContact CD1-CD2 4.36Å; I60-F182 HydrophobicContact CD1-CG 4.33Å; I60-F182 HydrophobicContact CG2-CB 3.74Å; I60-F182 HydrophobicContact CG2-CD1 3.55Å; I60-F182 HydrophobicContact CG2-CE1 4.33Å; I60-F182 HydrophobicContact CG2-CG 3.75Å; I60-T187 HydrophobicContact CG2-CG2 3.83Å; I60-L188 WeakPolarHBondContact CA-O 3.47Å; I60-V189 HydrophobicContact CG1-CG1 4.07Å; I60-V189 HydrophobicContact CG1-CG2 4.12Å; I60-V189 HydrophobicContact CG2-CG2 4.25Å
61	R	98.2	Very high	88.7	Confident	74 Å²	74	37.8 Å²	37.8	28%	0.279	20%	0.2	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-132.4	127.4	176	-62.3	174.5	-174.8	100.5	-3.6	109	Y48 T59 Q64 T187 L188 E190	Y48-R61 HydrophobicContact CD2-CG 3.95Å; Y48-R61 HydrophobicContact CE2-CG 4.25Å; T59-R61 HydrophobicContact CG2-CG 4.4Å; T59-R61 VanDerWaalsContact CG2-CZ 3.43Å; R61-Q64 HydrophobicContact CB-CG 3.49Å; R61-Q64 VanDerWaalsContact CB-CG 3.49Å; R61-T187 WeakPolarHBondContact O-CA 3.44Å; R61-L188 PolarHBondContact N-O 3.09Å; R61-L188 PolarHBondContact O-N 3.06Å; R61-E190 IonicContact NH1-OE2 3.17Å; R61-E190 PolarHBondContact NH1-OE2 3.26Å; R61-E190 VanDerWaalsContact NH1-OE2 3.14Å
62	L	97.4	Very high	87.4	Confident	12 Å²	12	41.9 Å²	41.9	6%	0.063	22%	0.221	C	C	.	.	S	Bend	trans	-84.5	163.3	172	-59.6	-170.4	0	0	0	111.3	A46 T47 Q64 F182 K184 T187	A46-L62 WeakPolarHBondContact O-CD1 2.98Å; T47-L62 HydrophobicContact CG2-CB 4.44Å; T47-L62 HydrophobicContact CG2-CD1 4.38Å; T47-L62 PolarHBondContact O-N 3.37Å; L62-Q64 VanDerWaalsContact C-N 3.26Å; L62-Q64 PolarHBondContact O-N 3.21Å; L62-Q64 PolarHBondContact O-NE2 3.13Å; L62-F182 HydrophobicContact CD1-CD1 4.22Å; L62-F182 HydrophobicContact CD2-CB 4.39Å; L62-F182 HydrophobicContact CD2-CD1 3.81Å; L62-F182 HydrophobicContact CG-CD1 3.93Å; L62-F182 HydrophobicContact CG-CE1 4.4Å; L62-K184 HydrophobicContact CD1-CD 4.32Å; L62-T187 HydrophobicContact CD2-CG2 4.03Å; L62-T187 WeakPolarHBondContact CD2-OG1 3.49Å
63	D	95.8	Very high	86.1	Confident	130 Å²	130	45 Å²	45	70%	0.695	24%	0.238	S	C	*	.	S	Bend	trans	54.7	40.8	172.9	-49.3	-47.3	0	0	0	113.2	G186	D63-G186 PolarHBondContact N-O 3.49Å
64	Q	95.2	Very high	85	Confident	71 Å²	71	44.9 Å²	44.9	33%	0.332	24%	0.237	S	C	.	.	P	Polyproline II helix	trans	-95.9	145.3	178.8	-58.2	-58.6	-79.7	0	0	111.3	R61 L62 Y138 G186 L188	R61-Q64 HydrophobicContact CB-CG 3.49Å; R61-Q64 VanDerWaalsContact CB-CG 3.49Å; L62-Q64 VanDerWaalsContact C-N 3.26Å; L62-Q64 PolarHBondContact O-N 3.21Å; L62-Q64 PolarHBondContact O-NE2 3.13Å; Q64-Y138 WeakPolarHBondContact O-CE2 3.45Å; Q64-Y138 PolarHBondContact O-OH 2.85Å; Q64-G186 PolarHBondContact N-O 3.26Å; Q64-L188 HydrophobicContact CB-CB 3.9Å; Q64-L188 HydrophobicContact CG-CB 3.84Å
65	D	91.1	Very high	84	Confident	141 Å²	141	51 Å²	51	75%	0.754	26%	0.264	S	S	*	.	P	Polyproline II helix	trans	-64.3	154.8	165.1	-69.1	-40.3	0	0	0	110.6
66	P	85.3	Confident	82.7	Confident	51 Å²	51	57.7 Å²	57.7	33%	0.331	30%	0.3	S	S	.	.	P	Polyproline II helix	trans	-55.9	146.6	172.5	-20.4	30.3	0	0	0	111	Y138	P66-Y138 HydrophobicContact CB-CD1 4.2Å; P66-Y138 HydrophobicContact CB-CE1 3.71Å; P66-Y138 WeakPolarHBondContact CD-OH 3.45Å; P66-Y138 HydrophobicContact CG-CE1 3.69Å
67	P	82.4	Confident	81.2	Confident	31 Å²	31	58.7 Å²	58.7	20%	0.201	31%	0.306	C	S	.	.			trans	-62.7	-177.2	169	29.6	-35	0	0	0	110.9	V69 L126 L128	P67-V69 CarbonylContact O-C 3.48Å; P67-V69 PolarHBondContact O-N 3.1Å; P67-L126 HydrophobicContact CG-CD2 4.04Å; P67-L128 HydrophobicContact CB-CD1 3.72Å; P67-L128 HydrophobicContact CG-CD1 3.54Å
68	V	77.2	Confident	79.3	Confident	121 Å²	121	61.9 Å²	61.9	73%	0.733	33%	0.334	S	S	*	.	S	Bend	trans	-44.3	-27.5	-176.8	178.8	0	0	0	0	114.2
69	V	69.8	Low	77.6	Confident	7 Å²	7	70 Å²	70	4%	0.042	37%	0.369	C	S	.	.			trans	-112	127.9	172.7	-175.2	0	0	0	0	110.2	P67 L73 F74 F107 L126	P67-V69 CarbonylContact O-C 3.48Å; P67-V69 PolarHBondContact O-N 3.1Å; V69-L73 HydrophobicContact CG1-CB 4.46Å; V69-L73 HydrophobicContact CG1-CD1 4.31Å; V69-F74 HydrophobicContact CG1-CD2 4.01Å; V69-F74 HydrophobicContact CG1-CE2 3.43Å; V69-F74 VanDerWaalsContact CG1-CE2 3.43Å; V69-F74 HydrophobicContact CG1-CZ 4.19Å; V69-F107 HydrophobicContact CG2-CE1 4.4Å; V69-F107 HydrophobicContact CG2-CE2 3.62Å; V69-F107 HydrophobicContact CG2-CZ 3.37Å; V69-L126 HydrophobicContact CB-CD2 4.26Å; V69-L126 HydrophobicContact CG1-CD2 4.47Å; V69-L126 WeakPolarHBondContact O-CD2 3.32Å
70	S	68.1	Low	76	Confident	26 Å²	26	70.5 Å²	70.5	18%	0.182	37%	0.372	C	S	.	.			trans	-96.2	154	161.8	160.4	0	0	0	0	109.9	D72 L73 E140	S70-D72 PolarHBondContact O-N 2.8Å; S70-D72 PolarHBondContact OG-N 2.67Å; S70-L73 WeakPolarHBondContact O-CB 3.3Å; S70-L73 PolarHBondContact O-N 3.47Å; S70-E140 PolarHBondContact OG-OE1 3.07Å
71	V	65.9	Low	74.9	Confident	3 Å²	3	76.4 Å²	76.4	2%	0.018	40%	0.4	C	S	.	.	T	Hydrogen-bonded Turn	trans	-58.6	-29.1	174.8	175.6	0	0	0	0	111.8	L73 F74 A111 H113 L126 E140	V71-L73 PolarHBondContact O-N 2.87Å; V71-F74 WeakPolarHBondContact O-CB 3.16Å; V71-F74 PolarHBondContact O-N 2.85Å; V71-F74 VanDerWaalsContact O-N 3.12Å; V71-A111 HydrophobicContact CB-CB 4.48Å; V71-A111 HydrophobicContact CG1-CB 4.05Å; V71-A111 HydrophobicContact CG2-CB 4.03Å; V71-H113 WeakPolarHBondContact CG1-CE1 3.35Å; V71-L126 HydrophobicContact CG2-CB 3.97Å; V71-E140 WeakPolarHBondContact CB-OE2 3.09Å; V71-E140 WeakPolarHBondContact CG2-OE2 3.23Å
72	D	69	Low	73.6	Confident	85 Å²	85	78.4 Å²	78.4	46%	0.455	41%	0.41	S	S	.	.	T	Hydrogen-bonded Turn	trans	-64.2	-28.5	175.5	-80.9	-23.4	0	0	0	113	S70 F74 K75	S70-D72 PolarHBondContact O-N 2.8Å; S70-D72 PolarHBondContact OG-N 2.67Å; D72-F74 VanDerWaalsContact C-N 3.25Å; D72-F74 PolarHBondContact O-N 3.38Å; D72-K75 WeakPolarHBondContact O-CB 3.18Å; D72-K75 PolarHBondContact O-N 2.97Å; D72-K75 VanDerWaalsContact O-N 3.15Å; D72-K75 WeakPolarHBondContact OD1-CE 3.22Å; D72-K75 IonicContact OD1-NZ 2.68Å; D72-K75 PolarHBondContact OD1-NZ 2.78Å
73	L	65.7	Low	72.5	Confident	79 Å²	79	80.7 Å²	80.7	41%	0.414	42%	0.422	S	S	.	.	H	α-helix	trans	-65.6	-30.8	174.8	-63.6	175.6	0	0	0	111.8	V69 S70 V71 K75 N76 Q77	V69-L73 HydrophobicContact CG1-CB 4.46Å; V69-L73 HydrophobicContact CG1-CD1 4.31Å; S70-L73 WeakPolarHBondContact O-CB 3.3Å; S70-L73 PolarHBondContact O-N 3.47Å; V71-L73 PolarHBondContact O-N 2.87Å; L73-K75 PolarHBondContact O-N 2.79Å; L73-N76 PolarHBondContact O-N 2.92Å; L73-Q77 WeakPolarHBondContact O-CG 3.41Å; L73-Q77 PolarHBondContact O-N 3.47Å
74	F	69.2	Low	71.3	Confident	4 Å²	4	79.4 Å²	79.4	2%	0.018	42%	0.419	C	S	.	.	H	α-helix	trans	-66	-19.9	176.5	-71.2	-100.6	0	0	0	113.1	V69 V71 D72 N76 V80 S100 L102 A109 A111 L126	V69-F74 HydrophobicContact CG1-CD2 4.01Å; V69-F74 HydrophobicContact CG1-CE2 3.43Å; V69-F74 VanDerWaalsContact CG1-CE2 3.43Å; V69-F74 HydrophobicContact CG1-CZ 4.19Å; V71-F74 WeakPolarHBondContact O-CB 3.16Å; V71-F74 PolarHBondContact O-N 2.85Å; V71-F74 VanDerWaalsContact O-N 3.12Å; D72-F74 VanDerWaalsContact C-N 3.25Å; D72-F74 PolarHBondContact O-N 3.38Å; F74-N76 VanDerWaalsContact C-N 3.31Å; F74-V80 HydrophobicContact CB-CG1 4.47Å; F74-V80 HydrophobicContact CB-CG2 4.27Å; F74-V80 HydrophobicContact CD1-CG1 3.96Å; F74-V80 HydrophobicContact CD1-CG2 3.84Å; F74-V80 HydrophobicContact CG-CG2 4.39Å; F74-S100 WeakPolarHBondContact CE1-O 3.35Å; F74-L102 HydrophobicContact CD1-CB 4.35Å; F74-L102 HydrophobicContact CE1-CB 3.7Å; F74-L102 HydrophobicContact CZ-CB 4.31Å; F74-A109 HydrophobicContact CE1-CB 4.21Å; F74-A109 HydrophobicContact CE2-CB 4.4Å; F74-A109 HydrophobicContact CZ-CB 3.49Å; F74-A109 VanDerWaalsContact CZ-CB 3.49Å; F74-A111 HydrophobicContact CD1-CB 4.29Å; F74-A111 HydrophobicContact CD2-CB 3.9Å; F74-A111 HydrophobicContact CE1-CB 4.23Å; F74-A111 HydrophobicContact CE2-CB 3.83Å; F74-A111 HydrophobicContact CG-CB 4.08Å; F74-A111 HydrophobicContact CZ-CB 3.96Å; F74-L126 HydrophobicContact CE2-CD1 3.46Å; F74-L126 VanDerWaalsContact CE2-CD1 3.46Å; F74-L126 HydrophobicContact CZ-CD1 3.64Å
75	K	66.1	Low	69.6	Low	130 Å²	130	77 Å²	77	57%	0.565	41%	0.41	S	S	*	.	H	α-helix	trans	-70.7	-28.5	177.3	-65.4	174.1	178.9	161.2	0	112.3	D72 L73	D72-K75 WeakPolarHBondContact O-CB 3.18Å; D72-K75 PolarHBondContact O-N 2.97Å; D72-K75 VanDerWaalsContact O-N 3.15Å; D72-K75 WeakPolarHBondContact OD1-CE 3.22Å; D72-K75 IonicContact OD1-NZ 2.68Å; D72-K75 PolarHBondContact OD1-NZ 2.78Å; L73-K75 PolarHBondContact O-N 2.79Å
76	N	59.2	Low	68.7	Low	148 Å²	148	80.4 Å²	80.4	79%	0.791	42%	0.418	S	S	*	.	H	α-helix	trans	-113.9	-5.7	-168.3	-68.3	-15	0	0	0	114.3	L73 F74	L73-N76 PolarHBondContact O-N 2.92Å; F74-N76 VanDerWaalsContact C-N 3.31Å
77	Q	60.4	Low	67.8	Low	73 Å²	73	84.4 Å²	84.4	34%	0.341	43%	0.43	S	S	.	.			trans	-87.7	130.1	-178.2	-78.2	-171.6	3.6	0	0	112.6	L73 F79 V80	L73-Q77 WeakPolarHBondContact O-CG 3.41Å; L73-Q77 PolarHBondContact O-N 3.47Å; Q77-F79 PolarHBondContact O-N 2.79Å; Q77-V80 HydrophobicContact CB-CG2 3.64Å; Q77-V80 PolarHBondContact O-N 2.88Å
78	S	54.9	Low	66.8	Low	106 Å²	106	88.2 Å²	88.2	74%	0.741	46%	0.455	S	S	*	.	T	Hydrogen-bonded Turn	trans	-67.9	-20	178.5	52.8	0	0	0	0	114.3
79	F	62.2	Low	65.9	Low	169 Å²	169	84 Å²	84	74%	0.741	43%	0.428	S	S	*	.	T	Hydrogen-bonded Turn	trans	-94.4	3.6	-176.7	-57	-78.6	0	0	0	113.7	Q77 Q81 L102	Q77-F79 PolarHBondContact O-N 2.79Å; F79-Q81 PolarHBondContact O-N 2.91Å; F79-L102 HydrophobicContact CB-CD1 4.33Å
80	V	63.7	Low	65.4	Low	20 Å²	20	90.4 Å²	90.4	12%	0.121	46%	0.456	C	S	.	.			trans	-77.5	116.1	179.6	174.9	0	0	0	0	109.5	F74 Q77 K82	F74-V80 HydrophobicContact CB-CG1 4.47Å; F74-V80 HydrophobicContact CB-CG2 4.27Å; F74-V80 HydrophobicContact CD1-CG1 3.96Å; F74-V80 HydrophobicContact CD1-CG2 3.84Å; F74-V80 HydrophobicContact CG-CG2 4.39Å; Q77-V80 HydrophobicContact CB-CG2 3.64Å; Q77-V80 PolarHBondContact O-N 2.88Å; V80-K82 HydrophobicContact CG1-CG 4.32Å; V80-K82 PolarHBondContact O-N 2.86Å
81	Q	75	Confident	64.8	Low	123 Å²	123	90 Å²	90	58%	0.575	45%	0.45	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-81.1	114.9	169.6	-167.6	176	45.4	0	0	109.1	F79 I83 I101	F79-Q81 PolarHBondContact O-N 2.91Å; Q81-I83 HydrophobicContact CG-CD1 4.24Å; Q81-I83 HydrophobicContact CG-CG1 3.85Å; Q81-I101 PolarHBondContact N-O 3.25Å; Q81-I101 PolarHBondContact O-N 2.85Å
82	K	72.8	Confident	64.4	Low	116 Å²	116	90.7 Å²	90.7	50%	0.504	45%	0.453	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-88.5	117.1	172.1	-70.8	170.9	169.5	-115.6	0	109.4	V80 E98 L99	V80-K82 HydrophobicContact CG1-CG 4.32Å; V80-K82 PolarHBondContact O-N 2.86Å; K82-E98 HydrophobicContact CB-CG 4.19Å; K82-E98 WeakPolarHBondContact CD-OE1 3.24Å; K82-E98 HydrophobicContact CG-CG 4.26Å; K82-E98 IonicContact NZ-OE1 2.65Å; K82-E98 IonicContact NZ-OE2 2.61Å; K82-E98 PolarHBondContact NZ-OE2 3.13Å; K82-L99 WeakPolarHBondContact CA-O 3.35Å
83	I	73.5	Confident	64.1	Low	61 Å²	61	89.2 Å²	89.2	31%	0.313	46%	0.457	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-118	126.6	-179.7	-53.4	-178.5	0	0	0	108.9	Q81 L99 I101	Q81-I83 HydrophobicContact CG-CD1 4.24Å; Q81-I83 HydrophobicContact CG-CG1 3.85Å; I83-L99 PolarHBondContact N-O 3.12Å; I83-L99 PolarHBondContact O-N 2.92Å; I83-I101 HydrophobicContact CD1-CD1 3.64Å; I83-I101 HydrophobicContact CD1-CG1 4.47Å
84	T	69.5	Low	63.9	Low	102 Å²	102	88.1 Å²	88.1	63%	0.626	45%	0.45	S	S	*	.			trans	-85.1	121.6	163.3	-56.4	0	0	0	0	108.7	K86	T84-K86 PolarHBondContact O-N 2.99Å
85	P	61.1	Low	63.8	Low	21 Å²	21	95.2 Å²	95.2	14%	0.136	48%	0.481	C	S	.	.			trans	-56	133.7	176.5	-24.2	33.3	0	0	0	111.6	F87 L89 V96 L99	P85-F87 PolarHBondContact O-N 3.28Å; P85-L89 HydrophobicContact CB-CB 3.92Å; P85-L89 HydrophobicContact CB-CD2 4.09Å; P85-L89 HydrophobicContact CG-CB 4.02Å; P85-L89 HydrophobicContact CG-CD2 3.6Å; P85-V96 HydrophobicContact CG-CG1 4.4Å; P85-L99 HydrophobicContact CG-CD1 3.89Å; P85-L99 HydrophobicContact CG-CG 4.05Å
86	K	72.6	Confident	63.8	Low	213 Å²	213	89.7 Å²	89.7	93%	0.926	46%	0.458	S	S	*	.	S	Bend	trans	-78.1	-3.8	177	-66	-174.6	179.6	179.5	0	113.7	T84	T84-K86 PolarHBondContact O-N 2.99Å
87	F	64.9	Low	64.3	Low	134 Å²	134	89.8 Å²	89.8	59%	0.588	45%	0.451	S	S	*	.	S	Bend	trans	-130	156.5	179.1	55.3	-90.8	0	0	0	109.4	P85 L89	P85-F87 PolarHBondContact O-N 3.28Å; F87-L89 VanDerWaalsContact C-N 3.3Å; F87-L89 HydrophobicContact CD2-CB 4.35Å; F87-L89 HydrophobicContact CE2-CB 4.15Å; F87-L89 HydrophobicContact CE2-CD1 3.95Å; F87-L89 PolarHBondContact O-N 3.14Å
88	P	62.8	Low	64.7	Low	111 Å²	111	88.9 Å²	88.9	72%	0.721	45%	0.447	S	S	*	.			trans	-66.2	91	179.8	27.2	-34.6	0	0	0	110.3
89	L	58.1	Low	65.6	Low	34 Å²	34	85 Å²	85	18%	0.178	42%	0.418	C	S	.	.			trans	-86.9	129.5	174.7	-175.5	62.1	0	0	0	108.7	P85 F87 K95 V96 L99 W112	P85-L89 HydrophobicContact CB-CB 3.92Å; P85-L89 HydrophobicContact CB-CD2 4.09Å; P85-L89 HydrophobicContact CG-CB 4.02Å; P85-L89 HydrophobicContact CG-CD2 3.6Å; F87-L89 VanDerWaalsContact C-N 3.3Å; F87-L89 HydrophobicContact CD2-CB 4.35Å; F87-L89 HydrophobicContact CE2-CB 4.15Å; F87-L89 HydrophobicContact CE2-CD1 3.95Å; F87-L89 PolarHBondContact O-N 3.14Å; L89-K95 WeakPolarHBondContact O-CA 3.37Å; L89-V96 HydrophobicContact CB-CB 4.28Å; L89-V96 HydrophobicContact CB-CG2 4.47Å; L89-V96 HydrophobicContact CD2-CB 4.21Å; L89-V96 HydrophobicContact CD2-CG1 4.28Å; L89-V96 HydrophobicContact CD2-CG2 4.32Å; L89-V96 HydrophobicContact CG-CB 4.2Å; L89-V96 HydrophobicContact CG-CG2 4.02Å; L89-V96 PolarHBondContact O-N 2.9Å; L89-L99 HydrophobicContact CD2-CD1 3.92Å; L89-L99 HydrophobicContact CD2-CD2 4.17Å; L89-L99 HydrophobicContact CD2-CG 4.34Å; L89-W112 HydrophobicContact CD1-CH2 3.86Å; L89-W112 HydrophobicContact CD1-CZ3 3.96Å; L89-W112 HydrophobicContact CD2-CE3 4.32Å; L89-W112 HydrophobicContact CD2-CH2 3.39Å; L89-W112 HydrophobicContact CD2-CZ2 4.43Å; L89-W112 HydrophobicContact CD2-CZ3 3.33Å; L89-W112 HydrophobicContact CG-CH2 3.85Å; L89-W112 HydrophobicContact CG-CZ3 3.56Å
90	K	58.7	Low	66.4	Low	141 Å²	141	77 Å²	77	61%	0.613	38%	0.383	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-113.1	135.4	178.9	-68.1	179.7	177.3	-176.5	0	110.5	Q94	K90-Q94 CarbonylContact C-O 3.58Å; K90-Q94 WeakPolarHBondContact CA-O 3.5Å
91	Y	56.1	Low	67.2	Low	16 Å²	16	78.2 Å²	78.2	6%	0.063	39%	0.388	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-123.4	124.3	170.1	172.1	-107.4	0	0	0	106.5	G93 Q94 V96 W112 V114 V125	Y91-G93 PolarHBondContact O-N 3.33Å; Y91-Q94 PolarHBondContact N-O 2.85Å; Y91-Q94 WeakPolarHBondContact O-CB 3.48Å; Y91-Q94 PolarHBondContact O-N 2.75Å; Y91-V96 VanDerWaalsContact CB-CG2 3.42Å; Y91-W112 HydrophobicContact CD2-CE3 4.36Å; Y91-W112 HydrophobicContact CG-CE3 4.37Å; Y91-V114 HydrophobicContact CD1-CG2 3.57Å; Y91-V114 HydrophobicContact CE1-CG2 3.43Å; Y91-V114 VanDerWaalsContact CE1-CG2 3.43Å; Y91-V125 HydrophobicContact CE2-CB 3.81Å; Y91-V125 HydrophobicContact CE2-CG2 3.87Å; Y91-V125 WeakPolarHBondContact OH-CB 3.24Å; Y91-V125 WeakPolarHBondContact OH-CG2 3.38Å; Y91-V125 PolarHBondContact OH-N 3.19Å
92	Y	57.5	Low	67.4	Low	19 Å²	19	73 Å²	73	8%	0.075	37%	0.365	C	S	.	.	T	Hydrogen-bonded Turn	trans	53.4	37.8	-171.4	-72.1	-41.8	0	0	0	114.2	Q94 V114 I142 I146 L151 I183	Y92-Q94 PolarHBondContact O-N 3.04Å; Y92-Q94 VanDerWaalsContact O-N 3.15Å; Y92-V114 HydrophobicContact CD2-CG2 4.49Å; Y92-I142 HydrophobicContact CE2-CG1 4.39Å; Y92-I146 VanDerWaalsContact CB-CD1 3.42Å; Y92-I146 HydrophobicContact CD1-CD1 4.04Å; Y92-I146 HydrophobicContact CD2-CD1 4.25Å; Y92-I146 HydrophobicContact CG-CD1 3.66Å; Y92-L151 HydrophobicContact CD1-CD2 3.36Å; Y92-L151 HydrophobicContact CE1-CD2 3.36Å; Y92-L151 HydrophobicContact CG-CD2 4.18Å; Y92-I183 HydrophobicContact CE1-CG2 3.96Å
93	G	62.1	Low	67.6	Low	53 Å²	53	73.3 Å²	73.3	55%	0.546	37%	0.371	S	S	.	.	T	Hydrogen-bonded Turn	trans	74.3	-7.1	-175.4	0	0	0	0	0	115.1	Y91	Y91-G93 PolarHBondContact O-N 3.33Å
94	Q	62.1	Low	67.8	Low	57 Å²	57	72.4 Å²	72.4	27%	0.266	37%	0.37	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-100.6	146.9	-176.7	-61.3	-66.5	-28.3	0	0	112.4	K90 Y91 Y92 V96 S118 Y119	K90-Q94 CarbonylContact C-O 3.58Å; K90-Q94 WeakPolarHBondContact CA-O 3.5Å; Y91-Q94 PolarHBondContact N-O 2.85Å; Y91-Q94 WeakPolarHBondContact O-CB 3.48Å; Y91-Q94 PolarHBondContact O-N 2.75Å; Y92-Q94 PolarHBondContact O-N 3.04Å; Y92-Q94 VanDerWaalsContact O-N 3.15Å; Q94-V96 PolarHBondContact O-N 3.49Å; Q94-S118 PolarHBondContact OE1-OG 2.82Å; Q94-Y119 HydrophobicContact CG-CD2 4.37Å; Q94-Y119 HydrophobicContact CG-CE2 3.58Å; Q94-Y119 PolarHBondContact NE2-OH 2.61Å
95	K	67.2	Low	68.1	Low	152 Å²	152	75.5 Å²	75.5	66%	0.661	38%	0.383	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-62.2	129.2	177.6	-68.3	-177.5	-178.8	178.1	0	111.2	L89	L89-K95 WeakPolarHBondContact O-CA 3.37Å
96	V	66.3	Low	68.9	Low	15 Å²	15	81.1 Å²	81.1	9%	0.091	41%	0.408	C	S	.	.	P	Polyproline II helix	trans	-78	125.1	172.8	177.8	0	0	0	0	109.1	P85 L89 Y91 Q94 L99 W112	P85-V96 HydrophobicContact CG-CG1 4.4Å; L89-V96 HydrophobicContact CB-CB 4.28Å; L89-V96 HydrophobicContact CB-CG2 4.47Å; L89-V96 HydrophobicContact CD2-CB 4.21Å; L89-V96 HydrophobicContact CD2-CG1 4.28Å; L89-V96 HydrophobicContact CD2-CG2 4.32Å; L89-V96 HydrophobicContact CG-CB 4.2Å; L89-V96 HydrophobicContact CG-CG2 4.02Å; L89-V96 PolarHBondContact O-N 2.9Å; Y91-V96 VanDerWaalsContact CB-CG2 3.42Å; Q94-V96 PolarHBondContact O-N 3.49Å; V96-L99 HydrophobicContact CG1-CD2 3.91Å; V96-L99 HydrophobicContact CG1-CG 4.28Å; V96-W112 HydrophobicContact CB-CE3 4.36Å; V96-W112 HydrophobicContact CB-CZ3 4.48Å; V96-W112 HydrophobicContact CG1-CE3 3.95Å; V96-W112 HydrophobicContact CG1-CZ3 4.35Å; V96-W112 HydrophobicContact CG2-CE3 3.53Å; V96-W112 HydrophobicContact CG2-CZ3 3.65Å
97	K	69	Low	69.4	Low	149 Å²	149	71.7 Å²	71.7	65%	0.648	37%	0.367	S	S	*	.			trans	-84.1	-44	179.9	-173.9	-178	178	-174.2	0	112.2
98	E	68.5	Low	70.3	Confident	55 Å²	55	68.5 Å²	68.5	26%	0.257	36%	0.355	S	S	.	.			trans	-144.5	138.1	-171.7	-176.2	167.9	-95.6	0	0	109.4	K82	K82-E98 HydrophobicContact CB-CG 4.19Å; K82-E98 WeakPolarHBondContact CD-OE1 3.24Å; K82-E98 HydrophobicContact CG-CG 4.26Å; K82-E98 IonicContact NZ-OE1 2.65Å; K82-E98 IonicContact NZ-OE2 2.61Å; K82-E98 PolarHBondContact NZ-OE2 3.13Å
99	L	74.4	Confident	71.5	Confident	23 Å²	23	63.2 Å²	63.2	12%	0.12	32%	0.321	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-108.1	130.1	164.5	-64.4	173.9	0	0	0	107.6	K82 I83 P85 L89 V96 V110 W112	K82-L99 WeakPolarHBondContact CA-O 3.35Å; I83-L99 PolarHBondContact N-O 3.12Å; I83-L99 PolarHBondContact O-N 2.92Å; P85-L99 HydrophobicContact CG-CD1 3.89Å; P85-L99 HydrophobicContact CG-CG 4.05Å; L89-L99 HydrophobicContact CD2-CD1 3.92Å; L89-L99 HydrophobicContact CD2-CD2 4.17Å; L89-L99 HydrophobicContact CD2-CG 4.34Å; V96-L99 HydrophobicContact CG1-CD2 3.91Å; V96-L99 HydrophobicContact CG1-CG 4.28Å; L99-V110 HydrophobicContact CD2-CG1 4.37Å; L99-W112 HydrophobicContact CD2-CD2 3.47Å; L99-W112 VanDerWaalsContact CD2-CD2 3.47Å; L99-W112 VanDerWaalsContact CD2-CE2 3.48Å; L99-W112 HydrophobicContact CD2-CE3 3.67Å; L99-W112 HydrophobicContact CD2-CG 4.1Å; L99-W112 HydrophobicContact CD2-CH2 3.98Å; L99-W112 HydrophobicContact CD2-CZ2 3.72Å; L99-W112 HydrophobicContact CD2-CZ3 3.96Å
100	S	78.5	Confident	72.8	Confident	2 Å²	2	62.9 Å²	62.9	1%	0.014	32%	0.32	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-105.7	118.2	173.1	-64.9	0	0	0	0	108.5	F74 V110 A111	F74-S100 WeakPolarHBondContact CE1-O 3.35Å; S100-V110 VanDerWaalsContact O-CA 3.32Å; S100-V110 WeakPolarHBondContact O-CA 3.35Å; S100-A111 PolarHBondContact N-O 3.41Å; S100-A111 VanDerWaalsContact N-O 3.16Å; S100-A111 PolarHBondContact O-N 3.35Å
101	I	80.4	Confident	74.1	Confident	45 Å²	45	56.1 Å²	56.1	23%	0.231	29%	0.291	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-110.7	125	178.8	-53.7	-178.2	0	0	0	109	Q81 I83 I108 A109 V110	Q81-I101 PolarHBondContact N-O 3.25Å; Q81-I101 PolarHBondContact O-N 2.85Å; I83-I101 HydrophobicContact CD1-CD1 3.64Å; I83-I101 HydrophobicContact CD1-CG1 4.47Å; I101-I108 HydrophobicContact CG2-CG2 4.31Å; I101-A109 WeakPolarHBondContact CA-O 3.27Å; I101-V110 HydrophobicContact CG1-CG1 4.49Å; I101-V110 HydrophobicContact CG1-CG2 4.39Å
102	L	79.3	Confident	75.5	Confident	15 Å²	15	57.3 Å²	57.3	8%	0.079	30%	0.295	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-110.7	120.4	166.4	175.5	67	0	0	0	107.3	F74 F79 F107 I108 A109	F74-L102 HydrophobicContact CD1-CB 4.35Å; F74-L102 HydrophobicContact CE1-CB 3.7Å; F74-L102 HydrophobicContact CZ-CB 4.31Å; F79-L102 HydrophobicContact CB-CD1 4.33Å; L102-F107 HydrophobicContact CD2-CE2 4.06Å; L102-I108 CarbonylContact O-C 3.48Å; L102-I108 WeakPolarHBondContact O-CA 3.14Å; L102-A109 HydrophobicContact CB-CB 4.26Å; L102-A109 PolarHBondContact N-O 3.05Å; L102-A109 PolarHBondContact O-N 2.77Å
103	N	78	Confident	76.6	Confident	121 Å²	121	58.7 Å²	58.7	65%	0.647	30%	0.302	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-112.6	112.1	174.9	-173.2	15.3	0	0	0	107.8
104	S	77.1	Confident	77.3	Confident	42 Å²	42	56.7 Å²	56.7	29%	0.294	28%	0.279	S	S	.	.			trans	-116.4	173.9	175	77	0	0	0	0	110.2	E106 F107	S104-E106 PolarHBondContact O-N 2.92Å; S104-E106 PolarHBondContact OG-N 3.34Å; S104-E106 VanDerWaalsContact OG-N 3.13Å; S104-F107 PolarHBondContact N-O 2.85Å; S104-F107 PolarHBondContact OG-N 3.32Å; S104-F107 VanDerWaalsContact OG-N 3.08Å; S104-F107 PolarHBondContact OG-O 2.83Å; S104-F107 VanDerWaalsContact OG-O 3.08Å
105	D	75.1	Confident	77.7	Confident	168 Å²	168	56.3 Å²	56.3	90%	0.898	28%	0.279	S	S	*	.	S	Bend	trans	-68	-17.9	172.3	-62.3	-35	0	0	0	112.4
106	E	79.1	Confident	78.2	Confident	138 Å²	138	55.4 Å²	55.4	65%	0.645	28%	0.277	S	S	*	.	S	Bend	trans	-97.7	-33.4	-175.1	-63.4	-175.8	171.8	0	0	113.5	S104 Y130 P131	S104-E106 PolarHBondContact O-N 2.92Å; S104-E106 PolarHBondContact OG-N 3.34Å; S104-E106 VanDerWaalsContact OG-N 3.13Å; E106-Y130 WeakPolarHBondContact O-CD1 3.28Å; E106-P131 WeakPolarHBondContact O-CD 3.36Å
107	F	82.6	Confident	78.7	Confident	15 Å²	15	63 Å²	63	7%	0.066	31%	0.311	C	S	.	.			trans	-166	162	-178.3	55.9	-95.1	0	0	0	112.4	V69 L102 S104 A109 L128 I129 Y130	V69-F107 HydrophobicContact CG2-CE1 4.4Å; V69-F107 HydrophobicContact CG2-CE2 3.62Å; V69-F107 HydrophobicContact CG2-CZ 3.37Å; L102-F107 HydrophobicContact CD2-CE2 4.06Å; S104-F107 PolarHBondContact N-O 2.85Å; S104-F107 PolarHBondContact OG-N 3.32Å; S104-F107 VanDerWaalsContact OG-N 3.08Å; S104-F107 PolarHBondContact OG-O 2.83Å; S104-F107 VanDerWaalsContact OG-O 3.08Å; F107-A109 HydrophobicContact CD2-CB 3.88Å; F107-A109 HydrophobicContact CE2-CB 3.88Å; F107-L128 HydrophobicContact CD2-CD2 4.14Å; F107-L128 HydrophobicContact CE2-CD2 4.37Å; F107-I129 CarbonylContact C-O 3.58Å; F107-I129 VanDerWaalsContact CA-O 3.3Å; F107-I129 WeakPolarHBondContact CA-O 3.31Å; F107-I129 WeakPolarHBondContact CB-O 3.35Å; F107-Y130 HydrophobicContact CB-CD1 3.95Å; F107-Y130 HydrophobicContact CB-CE1 3.98Å; F107-Y130 HydrophobicContact CB-CG 4.33Å; F107-Y130 HydrophobicContact CD1-CE1 4.05Å; F107-Y130 HydrophobicContact CG-CE1 4.36Å
108	I	84.4	Confident	79	Confident	68 Å²	68	58.7 Å²	58.7	35%	0.349	30%	0.3	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-102.4	129.5	164.3	-60.6	168.7	0	0	0	107.8	I101 L102 V110 L128 I129	I101-I108 HydrophobicContact CG2-CG2 4.31Å; L102-I108 CarbonylContact O-C 3.48Å; L102-I108 WeakPolarHBondContact O-CA 3.14Å; I108-V110 HydrophobicContact CG2-CG2 4.35Å; I108-L128 CarbonylContact O-C 3.5Å; I108-L128 WeakPolarHBondContact O-CA 3.33Å; I108-I129 HydrophobicContact CB-CB 4.38Å; I108-I129 PolarHBondContact N-O 3.03Å; I108-I129 PolarHBondContact O-N 2.87Å
109	A	86.8	Confident	79.4	Confident	0 Å²	0	57.6 Å²	57.6	0%	0	29%	0.294	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-120.7	131.1	177.2	0	0	0	0	0	110.7	F74 I101 L102 F107 L126 Y127 L128	F74-A109 HydrophobicContact CE1-CB 4.21Å; F74-A109 HydrophobicContact CE2-CB 4.4Å; F74-A109 HydrophobicContact CZ-CB 3.49Å; F74-A109 VanDerWaalsContact CZ-CB 3.49Å; I101-A109 WeakPolarHBondContact CA-O 3.27Å; L102-A109 HydrophobicContact CB-CB 4.26Å; L102-A109 PolarHBondContact N-O 3.05Å; L102-A109 PolarHBondContact O-N 2.77Å; F107-A109 HydrophobicContact CD2-CB 3.88Å; F107-A109 HydrophobicContact CE2-CB 3.88Å; A109-L126 HydrophobicContact CB-CD1 4.25Å; A109-Y127 CarbonylContact C-O 3.33Å; A109-Y127 VanDerWaalsContact CA-O 3.26Å; A109-Y127 WeakPolarHBondContact CA-O 3.36Å; A109-L128 HydrophobicContact CB-CD2 3.35Å
110	V	86.4	Confident	79.7	Confident	26 Å²	26	60.9 Å²	60.9	16%	0.158	32%	0.317	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-123.8	113.1	178.2	-171.6	0	0	0	0	109.2	L99 S100 I101 I108 Y127	L99-V110 HydrophobicContact CD2-CG1 4.37Å; S100-V110 VanDerWaalsContact O-CA 3.32Å; S100-V110 WeakPolarHBondContact O-CA 3.35Å; I101-V110 HydrophobicContact CG1-CG1 4.49Å; I101-V110 HydrophobicContact CG1-CG2 4.39Å; I108-V110 HydrophobicContact CG2-CG2 4.35Å; V110-Y127 PolarHBondContact N-O 3.06Å; V110-Y127 PolarHBondContact O-N 3.11Å
111	A	86.1	Confident	79.9	Confident	0 Å²	0	63.2 Å²	63.2	0%	0	33%	0.327	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-99.7	136.9	175.3	0	0	0	0	0	111.5	V71 F74 S100 L126	V71-A111 HydrophobicContact CB-CB 4.48Å; V71-A111 HydrophobicContact CG1-CB 4.05Å; V71-A111 HydrophobicContact CG2-CB 4.03Å; F74-A111 HydrophobicContact CD1-CB 4.29Å; F74-A111 HydrophobicContact CD2-CB 3.9Å; F74-A111 HydrophobicContact CE1-CB 4.23Å; F74-A111 HydrophobicContact CE2-CB 3.83Å; F74-A111 HydrophobicContact CG-CB 4.08Å; F74-A111 HydrophobicContact CZ-CB 3.96Å; S100-A111 PolarHBondContact N-O 3.41Å; S100-A111 VanDerWaalsContact N-O 3.16Å; S100-A111 PolarHBondContact O-N 3.35Å; A111-L126 HydrophobicContact CB-CD1 4.24Å
112	W	84.1	Confident	80	Confident	41 Å²	41	61.3 Å²	61.3	16%	0.155	32%	0.319	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-115.7	136.8	-179.6	-62.9	65.9	0	0	0	109.3	L89 Y91 V96 L99 S124 V125 Y127	L89-W112 HydrophobicContact CD1-CH2 3.86Å; L89-W112 HydrophobicContact CD1-CZ3 3.96Å; L89-W112 HydrophobicContact CD2-CE3 4.32Å; L89-W112 HydrophobicContact CD2-CH2 3.39Å; L89-W112 HydrophobicContact CD2-CZ2 4.43Å; L89-W112 HydrophobicContact CD2-CZ3 3.33Å; L89-W112 HydrophobicContact CG-CH2 3.85Å; L89-W112 HydrophobicContact CG-CZ3 3.56Å; Y91-W112 HydrophobicContact CD2-CE3 4.36Å; Y91-W112 HydrophobicContact CG-CE3 4.37Å; V96-W112 HydrophobicContact CB-CE3 4.36Å; V96-W112 HydrophobicContact CB-CZ3 4.48Å; V96-W112 HydrophobicContact CG1-CE3 3.95Å; V96-W112 HydrophobicContact CG1-CZ3 4.35Å; V96-W112 HydrophobicContact CG2-CE3 3.53Å; V96-W112 HydrophobicContact CG2-CZ3 3.65Å; L99-W112 HydrophobicContact CD2-CD2 3.47Å; L99-W112 VanDerWaalsContact CD2-CD2 3.47Å; L99-W112 VanDerWaalsContact CD2-CE2 3.48Å; L99-W112 HydrophobicContact CD2-CE3 3.67Å; L99-W112 HydrophobicContact CD2-CG 4.1Å; L99-W112 HydrophobicContact CD2-CH2 3.98Å; L99-W112 HydrophobicContact CD2-CZ2 3.72Å; L99-W112 HydrophobicContact CD2-CZ3 3.96Å; W112-S124 WeakPolarHBondContact O-CA 3.45Å; W112-V125 PolarHBondContact N-O 2.93Å; W112-V125 PolarHBondContact O-N 3.48Å; W112-Y127 AromaticContact CD1-CD2 3.33Å; W112-Y127 AromaticContact CD1-CE2 3.34Å; W112-Y127 HydrophobicContact CD2-CE2 4.35Å; W112-Y127 AromaticContact CE2-CE2 3.89Å; W112-Y127 HydrophobicContact CG-CD2 4.42Å; W112-Y127 HydrophobicContact CG-CE2 4.06Å; W112-Y127 AromaticContact NE1-CD2 3.18Å; W112-Y127 AromaticContact NE1-CE2 3.23Å
113	H	81.6	Confident	80.3	Confident	48 Å²	48	61 Å²	61	22%	0.222	32%	0.319	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-125	126.2	178.7	-56.4	-92.8	0	0	0	110.8	V71 G123	V71-H113 WeakPolarHBondContact CG1-CE1 3.35Å; H113-G123 WeakPolarHBondContact CA-O 3.3Å
114	V	75.8	Confident	80.8	Confident	11 Å²	11	55.8 Å²	55.8	7%	0.067	29%	0.292	C	S	.	.			trans	-66.7	142.6	171.2	-177.4	0	0	0	0	109.4	Y91 Y92 Q116 Y119 G123 P143	Y91-V114 HydrophobicContact CD1-CG2 3.57Å; Y91-V114 HydrophobicContact CE1-CG2 3.43Å; Y91-V114 VanDerWaalsContact CE1-CG2 3.43Å; Y92-V114 HydrophobicContact CD2-CG2 4.49Å; V114-Q116 PolarHBondContact O-N 2.65Å; V114-Y119 HydrophobicContact CG1-CD2 3.54Å; V114-Y119 HydrophobicContact CG1-CE2 4.35Å; V114-Y119 HydrophobicContact CG1-CG 4.22Å; V114-G123 PolarHBondContact N-O 2.85Å; V114-P143 HydrophobicContact CG1-CG 4.44Å; V114-P143 HydrophobicContact CG2-CG 4.29Å
115	N	71.9	Confident	81.4	Confident	49 Å²	49	53.8 Å²	53.8	26%	0.262	28%	0.278	S	S	.	.			trans	-62.3	117.7	172.7	-174.3	-4.6	0	0	0	111.3	H117 S118 Y119	N115-H117 PolarHBondContact O-N 2.81Å; N115-H117 WeakPolarHBondContact OD1-CB 3.25Å; N115-H117 PolarHBondContact OD1-N 2.88Å; N115-H117 PolarHBondContact OD1-ND1 2.93Å; N115-S118 PolarHBondContact O-N 3.42Å; N115-S118 VanDerWaalsContact O-N 3.16Å; N115-Y119 PolarHBondContact O-N 3.21Å
116	Q	76.5	Confident	82.1	Confident	133 Å²	133	45.9 Å²	45.9	62%	0.621	24%	0.235	S	C	*	.	T	Hydrogen-bonded Turn	trans	-66.2	-15.3	178.6	-70.9	178.6	-8.1	0	0	114.5	V114 Y119 P120	V114-Q116 PolarHBondContact O-N 2.65Å; Q116-Y119 VanDerWaalsContact CA-O 3.26Å; Q116-Y119 WeakPolarHBondContact CA-O 3.46Å; Q116-Y119 CarbonylContact O-C 3.31Å; Q116-Y119 VanDerWaalsContact O-C 3.31Å; Q116-P120 WeakPolarHBondContact O-CA 3.35Å
117	H	77.7	Confident	82.6	Confident	173 Å²	173	41.8 Å²	41.8	80%	0.801	22%	0.215	S	C	*	.	T	Hydrogen-bonded Turn	trans	-65.7	-39.5	171.9	-78.8	66.5	0	0	0	112.1	N115	N115-H117 PolarHBondContact O-N 2.81Å; N115-H117 WeakPolarHBondContact OD1-CB 3.25Å; N115-H117 PolarHBondContact OD1-N 2.88Å; N115-H117 PolarHBondContact OD1-ND1 2.93Å
118	S	74.7	Confident	82.9	Confident	59 Å²	59	41.2 Å²	41.2	41%	0.413	21%	0.212	S	C	.	.	T	Hydrogen-bonded Turn	trans	-81.8	-33.2	178.9	-57.7	0	0	0	0	111.6	Q94 N115	Q94-S118 PolarHBondContact OE1-OG 2.82Å; N115-S118 PolarHBondContact O-N 3.42Å; N115-S118 VanDerWaalsContact O-N 3.16Å
119	Y	77.7	Confident	83.1	Confident	32 Å²	32	41.4 Å²	41.4	13%	0.125	21%	0.213	C	C	.	.			trans	-136.4	92.9	-177.8	-62.7	-84.4	0	0	0	109.4	Q94 V114 N115 Q116 E121 G122 P143 K145	Q94-Y119 HydrophobicContact CG-CD2 4.37Å; Q94-Y119 HydrophobicContact CG-CE2 3.58Å; Q94-Y119 PolarHBondContact NE2-OH 2.61Å; V114-Y119 HydrophobicContact CG1-CD2 3.54Å; V114-Y119 HydrophobicContact CG1-CE2 4.35Å; V114-Y119 HydrophobicContact CG1-CG 4.22Å; N115-Y119 PolarHBondContact O-N 3.21Å; Q116-Y119 VanDerWaalsContact CA-O 3.26Å; Q116-Y119 WeakPolarHBondContact CA-O 3.46Å; Q116-Y119 CarbonylContact O-C 3.31Å; Q116-Y119 VanDerWaalsContact O-C 3.31Å; Y119-E121 VanDerWaalsContact C-OE2 3.29Å; Y119-E121 PolarHBondContact O-N 2.95Å; Y119-E121 VanDerWaalsContact O-N 3.1Å; Y119-G122 WeakPolarHBondContact O-CA 3.47Å; Y119-G122 PolarHBondContact O-N 2.85Å; Y119-P143 HydrophobicContact CD1-CB 3.26Å; Y119-P143 HydrophobicContact CD1-CG 3.94Å; Y119-P143 HydrophobicContact CD2-CG 4.39Å; Y119-P143 HydrophobicContact CE1-CB 3.92Å; Y119-P143 HydrophobicContact CG-CB 3.63Å; Y119-P143 HydrophobicContact CG-CG 3.83Å; Y119-K145 HydrophobicContact CD1-CB 4.23Å; Y119-K145 HydrophobicContact CE1-CB 4.01Å
120	P	80.8	Confident	83	Confident	93 Å²	93	44.1 Å²	44.1	60%	0.604	22%	0.224	S	C	*	.	T	Hydrogen-bonded Turn	trans	-53.6	-31.6	-178	-28	35.5	0	0	0	114	Q116 G122	Q116-P120 WeakPolarHBondContact O-CA 3.35Å; P120-G122 PolarHBondContact O-N 3.43Å
121	E	81.6	Confident	82.7	Confident	51 Å²	51	48 Å²	48	24%	0.238	25%	0.25	C	C	.	.	T	Hydrogen-bonded Turn	trans	-67.1	-18.6	174.6	67.6	-85.9	-152.4	0	0	113.4	Y119 K141 P143 E144	Y119-E121 VanDerWaalsContact C-OE2 3.29Å; Y119-E121 PolarHBondContact O-N 2.95Å; Y119-E121 VanDerWaalsContact O-N 3.1Å; E121-K141 WeakPolarHBondContact O-CE 3.41Å; E121-K141 PolarHBondContact O-NZ 3.32Å; E121-P143 HydrophobicContact CG-CB 3.98Å; E121-P143 WeakPolarHBondContact OE1-CA 3.3Å; E121-P143 VanDerWaalsContact OE1-CB 3.25Å; E121-P143 WeakPolarHBondContact OE1-CB 3.44Å; E121-E144 PolarHBondContact OE1-N 3.27Å
122	G	83.2	Confident	82.5	Confident	5 Å²	5	53.1 Å²	53.1	5%	0.052	28%	0.277	C	S	.	.			trans	67.9	-178.5	-173.7	0	0	0	0	0	112.9	Y119 P120 P143	Y119-G122 WeakPolarHBondContact O-CA 3.47Å; Y119-G122 PolarHBondContact O-N 2.85Å; P120-G122 PolarHBondContact O-N 3.43Å; G122-P143 WeakPolarHBondContact O-CG 3.21Å
123	G	85.6	Confident	82.5	Confident	7 Å²	7	52.2 Å²	52.2	7%	0.072	28%	0.28	C	S	.	.			trans	-161.4	150.2	172.1	0	0	0	0	0	108.9	H113 V114 K141	H113-G123 WeakPolarHBondContact CA-O 3.3Å; V114-G123 PolarHBondContact N-O 2.85Å; G123-K141 CarbonylContact C-O 3.49Å; G123-K141 WeakPolarHBondContact CA-O 3.05Å
124	S	87.4	Confident	82.9	Confident	12 Å²	12	52.1 Å²	52.1	8%	0.084	28%	0.279	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-147.9	141.6	-178	51.2	0	0	0	0	112.5	W112 E140 K141	W112-S124 WeakPolarHBondContact O-CA 3.45Å; S124-E140 WeakPolarHBondContact CB-OE2 3.32Å; S124-E140 PolarHBondContact O-N 3.16Å; S124-E140 VanDerWaalsContact O-N 3.11Å; S124-E140 WeakPolarHBondContact OG-CB 3.44Å; S124-E140 PolarHBondContact OG-OE2 2.77Å; S124-K141 PolarHBondContact N-O 2.85Å; S124-K141 PolarHBondContact O-N 2.79Å; S124-K141 VanDerWaalsContact O-N 3.16Å
125	V	89.3	Confident	83.7	Confident	1 Å²	1	53.3 Å²	53.3	1%	0.006	28%	0.284	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-130.9	140.8	167.3	156.7	0	0	0	0	108.6	Y91 W112 Y127 I137 Y138 I139	Y91-V125 HydrophobicContact CE2-CB 3.81Å; Y91-V125 HydrophobicContact CE2-CG2 3.87Å; Y91-V125 WeakPolarHBondContact OH-CB 3.24Å; Y91-V125 WeakPolarHBondContact OH-CG2 3.38Å; Y91-V125 PolarHBondContact OH-N 3.19Å; W112-V125 PolarHBondContact N-O 2.93Å; W112-V125 PolarHBondContact O-N 3.48Å; V125-Y127 HydrophobicContact CB-CE2 4.32Å; V125-Y127 HydrophobicContact CG1-CD2 3.7Å; V125-Y127 HydrophobicContact CG1-CE1 4.49Å; V125-Y127 HydrophobicContact CG1-CE2 3.23Å; V125-I137 HydrophobicContact CG1-CG2 3.71Å; V125-Y138 CarbonylContact C-O 3.53Å; V125-Y138 VanDerWaalsContact CA-O 3.28Å; V125-Y138 WeakPolarHBondContact CA-O 3.47Å; V125-I139 HydrophobicContact CG2-CB 4Å; V125-I139 HydrophobicContact CG2-CG1 3.82Å; V125-I139 HydrophobicContact CG2-CG2 3.95Å
126	L	90.4	Very high	84.7	Confident	1 Å²	1	52.5 Å²	52.5	1%	0.005	28%	0.279	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-110	130.1	172	177.1	63.6	0	0	0	109.8	P67 V69 V71 F74 A109 A111 L128 I137 Y138	P67-L126 HydrophobicContact CG-CD2 4.04Å; V69-L126 HydrophobicContact CB-CD2 4.26Å; V69-L126 HydrophobicContact CG1-CD2 4.47Å; V69-L126 WeakPolarHBondContact O-CD2 3.32Å; V71-L126 HydrophobicContact CG2-CB 3.97Å; F74-L126 HydrophobicContact CE2-CD1 3.46Å; F74-L126 VanDerWaalsContact CE2-CD1 3.46Å; F74-L126 HydrophobicContact CZ-CD1 3.64Å; A109-L126 HydrophobicContact CB-CD1 4.25Å; A111-L126 HydrophobicContact CB-CD1 4.24Å; L126-L128 HydrophobicContact CD1-CD2 4.16Å; L126-L128 HydrophobicContact CD2-CD1 4.48Å; L126-L128 HydrophobicContact CD2-CD2 4.1Å; L126-L128 HydrophobicContact CD2-CG 4.25Å; L126-L128 HydrophobicContact CG-CD2 4.1Å; L126-L128 HydrophobicContact CG-CG 4.2Å; L126-I137 CarbonylContact O-C 3.45Å; L126-I137 WeakPolarHBondContact O-CA 3.49Å; L126-Y138 PolarHBondContact N-O 3.03Å; L126-Y138 PolarHBondContact O-N 3Å
127	Y	90.3	Very high	85.5	Confident	53 Å²	53	46.2 Å²	46.2	21%	0.208	25%	0.249	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-105.6	132.1	167.7	-63.2	-99.1	0	0	0	108.7	A109 V110 W112 V125 F136 I137	A109-Y127 CarbonylContact C-O 3.33Å; A109-Y127 VanDerWaalsContact CA-O 3.26Å; A109-Y127 WeakPolarHBondContact CA-O 3.36Å; V110-Y127 PolarHBondContact N-O 3.06Å; V110-Y127 PolarHBondContact O-N 3.11Å; W112-Y127 AromaticContact CD1-CD2 3.33Å; W112-Y127 AromaticContact CD1-CE2 3.34Å; W112-Y127 HydrophobicContact CD2-CE2 4.35Å; W112-Y127 AromaticContact CE2-CE2 3.89Å; W112-Y127 HydrophobicContact CG-CD2 4.42Å; W112-Y127 HydrophobicContact CG-CE2 4.06Å; W112-Y127 AromaticContact NE1-CD2 3.18Å; W112-Y127 AromaticContact NE1-CE2 3.23Å; V125-Y127 HydrophobicContact CB-CE2 4.32Å; V125-Y127 HydrophobicContact CG1-CD2 3.7Å; V125-Y127 HydrophobicContact CG1-CE1 4.49Å; V125-Y127 HydrophobicContact CG1-CE2 3.23Å; Y127-F136 CarbonylContact C-O 3.6Å; Y127-F136 VanDerWaalsContact CA-O 3.27Å; Y127-F136 WeakPolarHBondContact CA-O 3.3Å; Y127-I137 HydrophobicContact CD1-CB 4.49Å; Y127-I137 HydrophobicContact CD1-CD1 4.01Å; Y127-I137 HydrophobicContact CD1-CG1 3.62Å; Y127-I137 HydrophobicContact CD1-CG2 4.45Å; Y127-I137 HydrophobicContact CE1-CB 4.41Å; Y127-I137 HydrophobicContact CE1-CD1 3.51Å; Y127-I137 HydrophobicContact CE1-CG1 3.6Å; Y127-I137 HydrophobicContact CE1-CG2 4.05Å
128	L	89.4	Confident	86.4	Confident	2 Å²	2	38.7 Å²	38.7	1%	0.01	21%	0.214	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-118.4	139	170.5	-58.5	175.5	0	0	0	109	P67 F107 I108 A109 L126 Y130 M135 F136	P67-L128 HydrophobicContact CB-CD1 3.72Å; P67-L128 HydrophobicContact CG-CD1 3.54Å; F107-L128 HydrophobicContact CD2-CD2 4.14Å; F107-L128 HydrophobicContact CE2-CD2 4.37Å; I108-L128 CarbonylContact O-C 3.5Å; I108-L128 WeakPolarHBondContact O-CA 3.33Å; A109-L128 HydrophobicContact CB-CD2 3.35Å; L126-L128 HydrophobicContact CD1-CD2 4.16Å; L126-L128 HydrophobicContact CD2-CD1 4.48Å; L126-L128 HydrophobicContact CD2-CD2 4.1Å; L126-L128 HydrophobicContact CD2-CG 4.25Å; L126-L128 HydrophobicContact CG-CD2 4.1Å; L126-L128 HydrophobicContact CG-CG 4.2Å; L128-Y130 HydrophobicContact CB-CE2 4.05Å; L128-Y130 HydrophobicContact CD1-CE2 4.44Å; L128-M135 CarbonylContact O-C 3.53Å; L128-M135 WeakPolarHBondContact O-CA 3.38Å; L128-F136 HydrophobicContact CB-CB 4.15Å; L128-F136 HydrophobicContact CB-CD2 4.42Å; L128-F136 HydrophobicContact CD1-CB 4.47Å; L128-F136 PolarHBondContact N-O 2.87Å; L128-F136 PolarHBondContact O-N 2.78Å
129	I	87.4	Confident	87.3	Confident	72 Å²	72	35.9 Å²	35.9	37%	0.369	19%	0.194	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-130.9	118.6	176.6	-53.7	173.8	0	0	0	107.2	F107 I108 M135	F107-I129 CarbonylContact C-O 3.58Å; F107-I129 VanDerWaalsContact CA-O 3.3Å; F107-I129 WeakPolarHBondContact CA-O 3.31Å; F107-I129 WeakPolarHBondContact CB-O 3.35Å; I108-I129 HydrophobicContact CB-CB 4.38Å; I108-I129 PolarHBondContact N-O 3.03Å; I108-I129 PolarHBondContact O-N 2.87Å; I129-M135 HydrophobicContact CG1-CG 4.22Å; I129-M135 HydrophobicContact CG2-CG 4.27Å
130	Y	84.9	Confident	87.9	Confident	58 Å²	58	36.4 Å²	36.4	23%	0.227	20%	0.198	C	C	.	.			trans	-95.6	153.3	178.8	-71.5	-92	0	0	0	111.1	E106 F107 L128 N132 G133 K134 F136	E106-Y130 WeakPolarHBondContact O-CD1 3.28Å; F107-Y130 HydrophobicContact CB-CD1 3.95Å; F107-Y130 HydrophobicContact CB-CE1 3.98Å; F107-Y130 HydrophobicContact CB-CG 4.33Å; F107-Y130 HydrophobicContact CD1-CE1 4.05Å; F107-Y130 HydrophobicContact CG-CE1 4.36Å; L128-Y130 HydrophobicContact CB-CE2 4.05Å; L128-Y130 HydrophobicContact CD1-CE2 4.44Å; Y130-N132 VanDerWaalsContact CB-OD1 3.24Å; Y130-N132 WeakPolarHBondContact CB-OD1 3.36Å; Y130-N132 PolarHBondContact O-N 2.97Å; Y130-N132 VanDerWaalsContact O-N 3.12Å; Y130-G133 PolarHBondContact O-N 3.12Å; Y130-K134 HydrophobicContact CD2-CB 4.4Å; Y130-K134 PolarHBondContact N-O 2.86Å; Y130-F136 AromaticContact CD2-CD2 3.9Å; Y130-F136 HydrophobicContact CD2-CD2 3.9Å; Y130-F136 AromaticContact CD2-CE2 3.78Å; Y130-F136 HydrophobicContact CD2-CE2 3.78Å; Y130-F136 AromaticContact CE2-CD2 3.49Å; Y130-F136 HydrophobicContact CE2-CD2 3.49Å; Y130-F136 VanDerWaalsContact CE2-CD2 3.49Å; Y130-F136 AromaticContact CE2-CE2 3.45Å; Y130-F136 HydrophobicContact CE2-CE2 3.45Å; Y130-F136 VanDerWaalsContact CE2-CE2 3.45Å
131	P	79.5	Confident	88.3	Confident	108 Å²	108	36.1 Å²	36.1	70%	0.701	19%	0.187	S	C	*	.	T	Hydrogen-bonded Turn	trans	-56.8	-27.1	178.2	-28.2	34.5	0	0	0	114.7	E106 G133	E106-P131 WeakPolarHBondContact O-CD 3.36Å; P131-G133 PolarHBondContact O-N 3.49Å
132	N	82.7	Confident	88.7	Confident	107 Å²	107	34.6 Å²	34.6	57%	0.572	18%	0.181	S	C	*	.	T	Hydrogen-bonded Turn	trans	-78.7	2.3	176.4	67.7	-1.3	0	0	0	113.8	Y130 K134	Y130-N132 VanDerWaalsContact CB-OD1 3.24Å; Y130-N132 WeakPolarHBondContact CB-OD1 3.36Å; Y130-N132 PolarHBondContact O-N 2.97Å; Y130-N132 VanDerWaalsContact O-N 3.12Å; N132-K134 WeakPolarHBondContact OD1-CB 3.3Å; N132-K134 PolarHBondContact OD1-N 2.84Å
133	G	83.1	Confident	88.8	Confident	22 Å²	22	34.4 Å²	34.4	23%	0.227	18%	0.178	C	C	.	.	S	Bend	trans	86.7	-4	-179.2	0	0	0	0	0	114.8	Y130 P131 M135	Y130-G133 PolarHBondContact O-N 3.12Å; P131-G133 PolarHBondContact O-N 3.49Å; G133-M135 PolarHBondContact O-N 2.81Å
134	K	90.5	Very high	88.5	Confident	46 Å²	46	43.1 Å²	43.1	20%	0.2	22%	0.217	C	C	.	.			trans	-63.7	136.2	170.8	-70.2	-163	177.2	-143.3	0	109.9	Y130 N132 F136 E190 F191 E192	Y130-K134 HydrophobicContact CD2-CB 4.4Å; Y130-K134 PolarHBondContact N-O 2.86Å; N132-K134 WeakPolarHBondContact OD1-CB 3.3Å; N132-K134 PolarHBondContact OD1-N 2.84Å; K134-F136 HydrophobicContact CB-CE2 4.28Å; K134-E190 IonicContact NZ-OE1 3.08Å; K134-E190 PolarHBondContact NZ-OE1 3.29Å; K134-F191 WeakPolarHBondContact CA-O 3.11Å; K134-E192 WeakPolarHBondContact CE-OE1 3.34Å; K134-E192 IonicContact NZ-OE1 2.64Å; K134-E192 PolarHBondContact NZ-OE1 3.21Å; K134-E192 IonicContact NZ-OE2 2.71Å; K134-E192 PolarHBondContact NZ-OE2 2.83Å
135	M	92.5	Very high	88.1	Confident	35 Å²	35	49.9 Å²	49.9	17%	0.172	25%	0.245	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-126	145.6	175.5	-58.9	176.6	-76.5	0	0	110.4	Y56 L128 I129 G133 I155 E190 F191	Y56-M135 HydrophobicContact CD1-CE 4.15Å; Y56-M135 HydrophobicContact CE1-CE 3.5Å; Y56-M135 VanDerWaalsContact CE1-CE 3.5Å; Y56-M135 HydrophobicContact CE2-CE 4.27Å; L128-M135 CarbonylContact O-C 3.53Å; L128-M135 WeakPolarHBondContact O-CA 3.38Å; I129-M135 HydrophobicContact CG1-CG 4.22Å; I129-M135 HydrophobicContact CG2-CG 4.27Å; G133-M135 PolarHBondContact O-N 2.81Å; M135-I155 HydrophobicContact CE-CD1 3.75Å; M135-E190 CarbonylContact O-C 3.58Å; M135-F191 HydrophobicContact CB-CB 4.23Å; M135-F191 HydrophobicContact CB-CD2 4.36Å; M135-F191 HydrophobicContact CE-CB 4.13Å; M135-F191 PolarHBondContact N-O 2.79Å; M135-F191 PolarHBondContact O-N 2.75Å
136	F	93.7	Very high	87.6	Confident	32 Å²	32	50.7 Å²	50.7	14%	0.14	25%	0.249	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-124.8	142.8	172.6	-62	-100.2	0	0	0	110.2	Y127 L128 Y130 K134 L188 V189 E190	Y127-F136 CarbonylContact C-O 3.6Å; Y127-F136 VanDerWaalsContact CA-O 3.27Å; Y127-F136 WeakPolarHBondContact CA-O 3.3Å; L128-F136 HydrophobicContact CB-CB 4.15Å; L128-F136 HydrophobicContact CB-CD2 4.42Å; L128-F136 HydrophobicContact CD1-CB 4.47Å; L128-F136 PolarHBondContact N-O 2.87Å; L128-F136 PolarHBondContact O-N 2.78Å; Y130-F136 AromaticContact CD2-CD2 3.9Å; Y130-F136 HydrophobicContact CD2-CD2 3.9Å; Y130-F136 AromaticContact CD2-CE2 3.78Å; Y130-F136 HydrophobicContact CD2-CE2 3.78Å; Y130-F136 AromaticContact CE2-CD2 3.49Å; Y130-F136 HydrophobicContact CE2-CD2 3.49Å; Y130-F136 VanDerWaalsContact CE2-CD2 3.49Å; Y130-F136 AromaticContact CE2-CE2 3.45Å; Y130-F136 HydrophobicContact CE2-CE2 3.45Å; Y130-F136 VanDerWaalsContact CE2-CE2 3.45Å; K134-F136 HydrophobicContact CB-CE2 4.28Å; F136-L188 HydrophobicContact CB-CD1 4.26Å; F136-L188 HydrophobicContact CD1-CD1 3.92Å; F136-L188 HydrophobicContact CD1-CD2 4.44Å; F136-L188 HydrophobicContact CD1-CG 4.31Å; F136-V189 CarbonylContact C-O 3.51Å; F136-V189 WeakPolarHBondContact CA-O 3.33Å; F136-E190 HydrophobicContact CD1-CB 3.85Å; F136-E190 HydrophobicContact CD1-CG 4.05Å; F136-E190 HydrophobicContact CE1-CB 3.67Å; F136-E190 HydrophobicContact CE1-CG 3.47Å; F136-E190 VanDerWaalsContact CE1-CG 3.47Å; F136-E190 HydrophobicContact CZ-CB 4.46Å; F136-E190 HydrophobicContact CZ-CG 3.78Å
137	I	94	Very high	87.1	Confident	1 Å²	1	54.4 Å²	54.4	1%	0.005	27%	0.272	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-119.1	113.7	165	-54.5	-179.4	0	0	0	106.3	V125 L126 Y127 I139 I155 I178 V189 F191	V125-I137 HydrophobicContact CG1-CG2 3.71Å; L126-I137 CarbonylContact O-C 3.45Å; L126-I137 WeakPolarHBondContact O-CA 3.49Å; Y127-I137 HydrophobicContact CD1-CB 4.49Å; Y127-I137 HydrophobicContact CD1-CD1 4.01Å; Y127-I137 HydrophobicContact CD1-CG1 3.62Å; Y127-I137 HydrophobicContact CD1-CG2 4.45Å; Y127-I137 HydrophobicContact CE1-CB 4.41Å; Y127-I137 HydrophobicContact CE1-CD1 3.51Å; Y127-I137 HydrophobicContact CE1-CG1 3.6Å; Y127-I137 HydrophobicContact CE1-CG2 4.05Å; I137-I139 HydrophobicContact CG2-CG1 4.49Å; I137-I155 HydrophobicContact CD1-CG2 4.24Å; I137-I178 HydrophobicContact CD1-CD1 4.02Å; I137-V189 HydrophobicContact CB-CB 4.23Å; I137-V189 PolarHBondContact N-O 2.85Å; I137-V189 PolarHBondContact O-N 2.86Å; I137-F191 HydrophobicContact CD1-CE2 3.65Å; I137-F191 HydrophobicContact CD1-CZ 4.27Å; I137-F191 HydrophobicContact CG1-CE2 3.92Å
138	Y	94.9	Very high	86.4	Confident	15 Å²	15	56.1 Å²	56.1	6%	0.059	29%	0.287	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-105.7	118.8	172	-177.8	-110	0	0	0	109.5	Q64 P66 V125 L126 E140 T187 L188	Q64-Y138 WeakPolarHBondContact O-CE2 3.45Å; Q64-Y138 PolarHBondContact O-OH 2.85Å; P66-Y138 HydrophobicContact CB-CD1 4.2Å; P66-Y138 HydrophobicContact CB-CE1 3.71Å; P66-Y138 WeakPolarHBondContact CD-OH 3.45Å; P66-Y138 HydrophobicContact CG-CE1 3.69Å; V125-Y138 CarbonylContact C-O 3.53Å; V125-Y138 VanDerWaalsContact CA-O 3.28Å; V125-Y138 WeakPolarHBondContact CA-O 3.47Å; L126-Y138 PolarHBondContact N-O 3.03Å; L126-Y138 PolarHBondContact O-N 3Å; Y138-E140 HydrophobicContact CD1-CB 3.86Å; Y138-E140 HydrophobicContact CE1-CB 3.57Å; Y138-E140 HydrophobicContact CE1-CG 4.03Å; Y138-E140 PolarHBondContact O-N 3Å; Y138-T187 WeakPolarHBondContact CA-O 3.32Å; Y138-L188 HydrophobicContact CD2-CB 4.19Å; Y138-L188 HydrophobicContact CD2-CD1 4.07Å
139	I	93.6	Very high	85.9	Confident	0 Å²	0	63.2 Å²	63.2	0%	0	32%	0.32	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-91.2	93	175.1	-50.1	178.7	0	0	0	107.6	V125 I137 I142 I183 K184 S185 G186 T187	V125-I139 HydrophobicContact CG2-CB 4Å; V125-I139 HydrophobicContact CG2-CG1 3.82Å; V125-I139 HydrophobicContact CG2-CG2 3.95Å; I137-I139 HydrophobicContact CG2-CG1 4.49Å; I139-I142 HydrophobicContact CG2-CD1 3.83Å; I139-I142 HydrophobicContact CG2-CG1 3.43Å; I139-I142 VanDerWaalsContact CG2-CG1 3.43Å; I139-I183 HydrophobicContact CD1-CB 4.32Å; I139-I183 HydrophobicContact CD1-CG2 3.81Å; I139-K184 VanDerWaalsContact CB-O 3.32Å; I139-K184 WeakPolarHBondContact CB-O 3.45Å; I139-K184 VanDerWaalsContact CG2-O 3.29Å; I139-K184 WeakPolarHBondContact CG2-O 3.17Å; I139-S185 CarbonylContact O-C 3.58Å; I139-S185 WeakPolarHBondContact O-CA 2.97Å; I139-G186 PolarHBondContact O-N 3.19Å; I139-T187 HydrophobicContact CD1-CG2 4.39Å; I139-T187 PolarHBondContact N-O 3.34Å
140	E	91.5	Very high	85.7	Confident	43 Å²	43	64.7 Å²	64.7	20%	0.201	33%	0.329	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-73.2	-45.4	-177.7	179.6	176.6	-137.4	0	0	111.3	S70 V71 S124 Y138	S70-E140 PolarHBondContact OG-OE1 3.07Å; V71-E140 WeakPolarHBondContact CB-OE2 3.09Å; V71-E140 WeakPolarHBondContact CG2-OE2 3.23Å; S124-E140 WeakPolarHBondContact CB-OE2 3.32Å; S124-E140 PolarHBondContact O-N 3.16Å; S124-E140 VanDerWaalsContact O-N 3.11Å; S124-E140 WeakPolarHBondContact OG-CB 3.44Å; S124-E140 PolarHBondContact OG-OE2 2.77Å; Y138-E140 HydrophobicContact CD1-CB 3.86Å; Y138-E140 HydrophobicContact CE1-CB 3.57Å; Y138-E140 HydrophobicContact CE1-CG 4.03Å; Y138-E140 PolarHBondContact O-N 3Å
141	K	89.6	Confident	85.6	Confident	87 Å²	87	62.2 Å²	62.2	38%	0.378	32%	0.32	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-146.4	125.1	-179.8	-170.2	173	-173.6	175.6	0	113	E121 G123 S124	E121-K141 WeakPolarHBondContact O-CE 3.41Å; E121-K141 PolarHBondContact O-NZ 3.32Å; G123-K141 CarbonylContact C-O 3.49Å; G123-K141 WeakPolarHBondContact CA-O 3.05Å; S124-K141 PolarHBondContact N-O 2.85Å; S124-K141 PolarHBondContact O-N 2.79Å; S124-K141 VanDerWaalsContact O-N 3.16Å
142	I	88.3	Confident	85.9	Confident	20 Å²	20	61.9 Å²	61.9	10%	0.103	31%	0.309	C	S	.	.			trans	-100.2	131	165.9	-57.6	-167.3	0	0	0	109.3	Y92 I139 E144 I146 L151 I183 K184 S185	Y92-I142 HydrophobicContact CE2-CG1 4.39Å; I139-I142 HydrophobicContact CG2-CD1 3.83Å; I139-I142 HydrophobicContact CG2-CG1 3.43Å; I139-I142 VanDerWaalsContact CG2-CG1 3.43Å; I142-E144 PolarHBondContact O-N 3.15Å; I142-I146 HydrophobicContact CG2-CG2 3.44Å; I142-I146 VanDerWaalsContact CG2-CG2 3.44Å; I142-L151 HydrophobicContact CD1-CD1 4.48Å; I142-L151 HydrophobicContact CG2-CD2 4.39Å; I142-I183 HydrophobicContact CD1-CG2 3.68Å; I142-I183 WeakPolarHBondContact CD1-O 3.36Å; I142-K184 VanDerWaalsContact CD1-CA 3.47Å; I142-S185 PolarHBondContact N-OG 2.99Å
143	P	85.4	Confident	86.3	Confident	1 Å²	1	57.2 Å²	57.2	1%	0.006	29%	0.285	C	S	.	.			trans	-60.6	129	171	-18	28.3	0	0	0	111.7	V114 Y119 E121 G122 K145 I146	V114-P143 HydrophobicContact CG1-CG 4.44Å; V114-P143 HydrophobicContact CG2-CG 4.29Å; Y119-P143 HydrophobicContact CD1-CB 3.26Å; Y119-P143 HydrophobicContact CD1-CG 3.94Å; Y119-P143 HydrophobicContact CD2-CG 4.39Å; Y119-P143 HydrophobicContact CE1-CB 3.92Å; Y119-P143 HydrophobicContact CG-CB 3.63Å; Y119-P143 HydrophobicContact CG-CG 3.83Å; E121-P143 HydrophobicContact CG-CB 3.98Å; E121-P143 WeakPolarHBondContact OE1-CA 3.3Å; E121-P143 VanDerWaalsContact OE1-CB 3.25Å; E121-P143 WeakPolarHBondContact OE1-CB 3.44Å; G122-P143 WeakPolarHBondContact O-CG 3.21Å; P143-K145 PolarHBondContact O-N 2.91Å; P143-K145 VanDerWaalsContact O-N 3.17Å; P143-I146 WeakPolarHBondContact O-CB 3.45Å; P143-I146 WeakPolarHBondContact O-CG2 3.05Å; P143-I146 PolarHBondContact O-N 3.24Å; P143-I146 VanDerWaalsContact O-N 3.12Å
144	E	80.3	Confident	86.5	Confident	189 Å²	189	60.2 Å²	60.2	88%	0.883	29%	0.289	S	S	*	.	T	Hydrogen-bonded Turn	trans	-60.7	-30.3	-175.8	-68.2	178.6	-174.6	0	0	113.1	E121 I142 I146	E121-E144 PolarHBondContact OE1-N 3.27Å; I142-E144 PolarHBondContact O-N 3.15Å; E144-I146 PolarHBondContact O-N 2.65Å
145	K	79.4	Confident	86.4	Confident	154 Å²	154	59.5 Å²	59.5	67%	0.67	29%	0.287	S	S	*	.	T	Hydrogen-bonded Turn	trans	-76.1	-2.2	-178.4	-66.6	-179.3	-179.1	174.6	0	113.9	Y119 P143	Y119-K145 HydrophobicContact CD1-CB 4.23Å; Y119-K145 HydrophobicContact CE1-CB 4.01Å; P143-K145 PolarHBondContact O-N 2.91Å; P143-K145 VanDerWaalsContact O-N 3.17Å
146	I	78.4	Confident	85.9	Confident	19 Å²	19	59.9 Å²	59.9	10%	0.097	29%	0.29	C	S	.	.	S	Bend	trans	-75.6	135	-178.9	-159.9	162.5	0	0	0	111.3	Y92 I142 P143 E144 V148 L151	Y92-I146 VanDerWaalsContact CB-CD1 3.42Å; Y92-I146 HydrophobicContact CD1-CD1 4.04Å; Y92-I146 HydrophobicContact CD2-CD1 4.25Å; Y92-I146 HydrophobicContact CG-CD1 3.66Å; I142-I146 HydrophobicContact CG2-CG2 3.44Å; I142-I146 VanDerWaalsContact CG2-CG2 3.44Å; P143-I146 WeakPolarHBondContact O-CB 3.45Å; P143-I146 WeakPolarHBondContact O-CG2 3.05Å; P143-I146 PolarHBondContact O-N 3.24Å; P143-I146 VanDerWaalsContact O-N 3.12Å; E144-I146 PolarHBondContact O-N 2.65Å; I146-V148 PolarHBondContact O-N 3.08Å; I146-L151 HydrophobicContact CD1-CD2 3.54Å; I146-L151 HydrophobicContact CG1-CD2 4Å; I146-L151 HydrophobicContact CG2-CD1 4.42Å; I146-L151 HydrophobicContact CG2-CD2 3.76Å; I146-L151 HydrophobicContact CG2-CG 4.33Å
147	V	78.8	Confident	85.2	Confident	78 Å²	78	62.5 Å²	62.5	47%	0.473	30%	0.3	S	S	.	.			trans	-72.7	122.3	174.4	-176.1	0	0	0	0	108.6	E149 N150	V147-E149 HydrophobicContact CG1-CB 4.01Å; V147-E149 HydrophobicContact CG1-CG 4.31Å; V147-E149 PolarHBondContact O-N 3.17Å; V147-E149 VanDerWaalsContact O-N 3.13Å; V147-N150 WeakPolarHBondContact O-CB 3.46Å; V147-N150 PolarHBondContact O-N 3.16Å
148	V	76.9	Confident	84.3	Confident	89 Å²	89	68.6 Å²	68.6	54%	0.539	32%	0.322	S	S	.	.	G	3₁₀ helix	trans	-53.7	-34.8	180	176.6	0	0	0	0	111.9	I146 N150 L151	I146-V148 PolarHBondContact O-N 3.08Å; V148-N150 PolarHBondContact O-N 3.37Å; V148-L151 HydrophobicContact CB-CD1 4.47Å; V148-L151 HydrophobicContact CG1-CD1 4.41Å; V148-L151 VanDerWaalsContact O-CB 3.3Å; V148-L151 WeakPolarHBondContact O-CB 3.4Å; V148-L151 PolarHBondContact O-N 2.86Å
149	E	79.3	Confident	83.2	Confident	151 Å²	151	68.2 Å²	68.2	71%	0.706	32%	0.321	S	S	*	.	G	3₁₀ helix	trans	-62.7	-25.8	178.3	-60	-175.6	173.3	0	0	113.5	V147 K180	V147-E149 HydrophobicContact CG1-CB 4.01Å; V147-E149 HydrophobicContact CG1-CG 4.31Å; V147-E149 PolarHBondContact O-N 3.17Å; V147-E149 VanDerWaalsContact O-N 3.13Å; E149-K180 PolarHBondContact O-NZ 2.92Å
150	N	81.7	Confident	82.3	Confident	104 Å²	104	75.8 Å²	75.8	56%	0.556	35%	0.354	S	S	*	.	G	3₁₀ helix	trans	-90	-3.1	178	-64	-22.4	0	0	0	112.9	V147 V148 E152	V147-N150 WeakPolarHBondContact O-CB 3.46Å; V147-N150 PolarHBondContact O-N 3.16Å; V148-N150 PolarHBondContact O-N 3.37Å; N150-E152 PolarHBondContact O-N 2.84Å
151	L	83	Confident	81.5	Confident	5 Å²	5	73.9 Å²	73.9	3%	0.026	35%	0.346	C	S	.	.			trans	-76.3	117.6	176.5	-63.9	178.6	0	0	0	109.5	Y92 I142 I146 V148 K180 I183	Y92-L151 HydrophobicContact CD1-CD2 3.36Å; Y92-L151 HydrophobicContact CE1-CD2 3.36Å; Y92-L151 HydrophobicContact CG-CD2 4.18Å; I142-L151 HydrophobicContact CD1-CD1 4.48Å; I142-L151 HydrophobicContact CG2-CD2 4.39Å; I146-L151 HydrophobicContact CD1-CD2 3.54Å; I146-L151 HydrophobicContact CG1-CD2 4Å; I146-L151 HydrophobicContact CG2-CD1 4.42Å; I146-L151 HydrophobicContact CG2-CD2 3.76Å; I146-L151 HydrophobicContact CG2-CG 4.33Å; V148-L151 HydrophobicContact CB-CD1 4.47Å; V148-L151 HydrophobicContact CG1-CD1 4.41Å; V148-L151 VanDerWaalsContact O-CB 3.3Å; V148-L151 WeakPolarHBondContact O-CB 3.4Å; V148-L151 PolarHBondContact O-N 2.86Å; L151-K180 WeakPolarHBondContact O-CE 3.3Å; L151-I183 HydrophobicContact CB-CB 4.45Å; L151-I183 HydrophobicContact CB-CD1 4.16Å; L151-I183 HydrophobicContact CB-CG2 4.15Å; L151-I183 HydrophobicContact CD1-CB 4.3Å; L151-I183 HydrophobicContact CD1-CG2 4.07Å; L151-I183 HydrophobicContact CD2-CG2 4.35Å; L151-I183 HydrophobicContact CG-CG2 4.44Å
152	E	87	Confident	81.1	Confident	101 Å²	101	70.6 Å²	70.6	47%	0.472	33%	0.332	S	S	.	.			trans	-139.4	136.9	170.3	-51.6	-175.2	138.6	0	0	109.1	N150 W154	N150-E152 PolarHBondContact O-N 2.84Å; E152-W154 HydrophobicContact CB-CE3 3.81Å; E152-W154 HydrophobicContact CB-CZ3 3.37Å; E152-W154 HydrophobicContact CG-CZ3 4.28Å; E152-W154 WeakPolarHBondContact OE2-CZ3 3.49Å
153	S	89.9	Confident	80.8	Confident	9 Å²	9	71.4 Å²	71.4	6%	0.063	34%	0.337	C	S	.	.			trans	-149.2	134.7	173.8	-172.7	0	0	0	0	108.4	I178	S153-I178 PolarHBondContact O-N 3.01Å
154	W	88.3	Confident	80.6	Confident	85 Å²	85	79 Å²	79	32%	0.322	37%	0.369	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-159	160.3	-176.4	63.9	80.1	0	0	0	110.8	E152 R175 I176 Q177	E152-W154 HydrophobicContact CB-CE3 3.81Å; E152-W154 HydrophobicContact CB-CZ3 3.37Å; E152-W154 HydrophobicContact CG-CZ3 4.28Å; E152-W154 WeakPolarHBondContact OE2-CZ3 3.49Å; W154-R175 HydrophobicContact CB-CG 3.85Å; W154-R175 HydrophobicContact CG-CG 3.79Å; W154-I176 CarbonylContact C-O 3.58Å; W154-I176 WeakPolarHBondContact CA-O 3.43Å; W154-I176 VanDerWaalsContact CB-O 3.27Å; W154-I176 WeakPolarHBondContact CB-O 3.41Å; W154-Q177 HydrophobicContact CB-CB 4.33Å
155	I	87.2	Confident	80.9	Confident	32 Å²	32	76.4 Å²	76.4	16%	0.164	36%	0.357	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-100.9	146	158.2	60.1	170.7	0	0	0	109	M135 I137 R175 I176 F191	M135-I155 HydrophobicContact CE-CD1 3.75Å; I137-I155 HydrophobicContact CD1-CG2 4.24Å; I155-R175 CarbonylContact O-C 3.54Å; I155-R175 WeakPolarHBondContact O-CA 3.15Å; I155-I176 HydrophobicContact CD1-CB 4.36Å; I155-I176 HydrophobicContact CD1-CD1 3.98Å; I155-I176 HydrophobicContact CG1-CB 3.79Å; I155-I176 HydrophobicContact CG1-CD1 4.27Å; I155-I176 HydrophobicContact CG1-CG1 4.3Å; I155-I176 PolarHBondContact N-O 3.01Å; I155-I176 PolarHBondContact O-N 3.21Å; I155-F191 HydrophobicContact CD1-CB 4.36Å; I155-F191 HydrophobicContact CD1-CD1 3.46Å; I155-F191 VanDerWaalsContact CD1-CD1 3.46Å; I155-F191 HydrophobicContact CD1-CD2 4.29Å; I155-F191 HydrophobicContact CD1-CE1 3.67Å; I155-F191 HydrophobicContact CD1-CE2 4.47Å; I155-F191 HydrophobicContact CD1-CG 3.78Å; I155-F191 HydrophobicContact CD1-CZ 4.18Å; I155-F191 HydrophobicContact CG1-CD1 4.16Å; I155-F191 HydrophobicContact CG1-CE1 3.83Å; I155-F191 HydrophobicContact CG1-CZ 4.08Å; I155-F191 HydrophobicContact CG2-CD2 4.46Å; I155-F191 HydrophobicContact CG2-CE2 4.05Å; I155-F191 HydrophobicContact CG2-CZ 4.16Å
156	D	82.2	Confident	81	Confident	43 Å²	43	72.1 Å²	72.1	23%	0.23	35%	0.35	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-141.8	113.5	-174.2	-167.8	15	0	0	0	108.8	R158 P172 R175	D156-R158 IonicContact OD2-CZ 2.78Å; D156-R158 IonicContact OD2-NE 3.28Å; D156-R158 PolarHBondContact OD2-NE 2.65Å; D156-R158 IonicContact OD2-NH2 3.58Å; D156-R158 PolarHBondContact OD2-NH2 3.49Å; D156-P172 WeakPolarHBondContact OD1-CB 3.45Å; D156-R175 IonicContact OD2-CZ 3.14Å; D156-R175 IonicContact OD2-NE 2.83Å; D156-R175 IonicContact OD2-NH2 3.32Å; D156-R175 PolarHBondContact OD2-NH2 2.91Å; D156-R175 VanDerWaalsContact OD2-NH2 3.11Å
157	Y	78.6	Confident	81.3	Confident	87 Å²	87	75.6 Å²	75.6	34%	0.341	37%	0.369	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-90.5	131	164.4	177.1	-107.5	0	0	0	109.3	Y173 N174	Y157-Y173 AromaticContact CD1-CD1 3.54Å; Y157-Y173 HydrophobicContact CD1-CD1 3.54Å; Y157-Y173 HydrophobicContact CD1-CE1 4.33Å; Y157-Y173 HydrophobicContact CD1-CG 4.05Å; Y157-Y173 HydrophobicContact CE1-CD1 4.27Å; Y157-Y173 HydrophobicContact CG-CD1 4.49Å; Y157-Y173 PolarHBondContact O-N 3.48Å; Y157-N174 PolarHBondContact N-O 2.04Å
158	R	77	Confident	81.5	Confident	128 Å²	128	76.6 Å²	76.6	48%	0.483	38%	0.376	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-120.2	139	179.4	-59.4	-169	178.5	-174.2	2.3	111.1	D156 E171	D156-R158 IonicContact OD2-CZ 2.78Å; D156-R158 IonicContact OD2-NE 3.28Å; D156-R158 PolarHBondContact OD2-NE 2.65Å; D156-R158 IonicContact OD2-NH2 3.58Å; D156-R158 PolarHBondContact OD2-NH2 3.49Å; R158-E171 WeakPolarHBondContact CA-O 3.41Å; R158-E171 WeakPolarHBondContact CB-O 3.43Å
159	Y	71.2	Confident	81.8	Confident	8 Å²	8	74.2 Å²	74.2	3%	0.031	36%	0.361	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-108	158.1	173.3	65.5	-83.1	0	0	0	109.9	F28 I33 C161 S170 E171	F28-Y159 AromaticContact CD1-CD2 3.68Å; F28-Y159 HydrophobicContact CD1-CD2 3.68Å; F28-Y159 AromaticContact CD1-CE2 3.77Å; F28-Y159 HydrophobicContact CD1-CE2 3.77Å; F28-Y159 AromaticContact CE1-CD2 3.29Å; F28-Y159 HydrophobicContact CE1-CD2 3.29Å; F28-Y159 AromaticContact CE1-CE2 3.28Å; F28-Y159 HydrophobicContact CE1-CE2 3.28Å; F28-Y159 HydrophobicContact CE1-CG 4.29Å; F28-Y159 HydrophobicContact CZ-CD2 4.5Å; F28-Y159 HydrophobicContact CZ-CE2 4.35Å; I33-Y159 VanDerWaalsContact CB-OH 3.3Å; I33-Y159 WeakPolarHBondContact CB-OH 3.35Å; I33-Y159 HydrophobicContact CD1-CD2 4.43Å; I33-Y159 HydrophobicContact CD1-CE2 3.35Å; I33-Y159 VanDerWaalsContact CD1-CZ 3.47Å; I33-Y159 WeakPolarHBondContact CD1-OH 3.4Å; I33-Y159 HydrophobicContact CG2-CE1 4.28Å; I33-Y159 WeakPolarHBondContact CG2-OH 3.43Å; Y159-C161 HydrophobicContact CD2-CB 4.14Å; Y159-C161 HydrophobicContact CE2-CB 3.79Å; Y159-S170 CarbonylContact O-C 3.54Å; Y159-S170 VanDerWaalsContact O-CA 3.3Å; Y159-S170 WeakPolarHBondContact O-CA 3.15Å; Y159-E171 HydrophobicContact CD1-CB 4.33Å; Y159-E171 WeakPolarHBondContact CD1-O 3.33Å; Y159-E171 HydrophobicContact CE1-CB 3.62Å; Y159-E171 HydrophobicContact CE2-CB 3.9Å; Y159-E171 HydrophobicContact CE2-CG 4.49Å; Y159-E171 PolarHBondContact N-O 3.13Å; Y159-E171 PolarHBondContact O-N 3.01Å; Y159-E171 VanDerWaalsContact OH-CB 3.3Å; Y159-E171 WeakPolarHBondContact OH-CB 3.37Å
160	K	74	Confident	81.8	Confident	158 Å²	158	69.9 Å²	69.9	69%	0.687	35%	0.348	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-94.7	129	176.6	-67.5	-177.1	179.7	-178.7	0	110.1	T168 V169	K160-T168 HydrophobicContact CB-CG2 4.16Å; K160-T168 HydrophobicContact CD-CG2 4.25Å; K160-T168 HydrophobicContact CG-CG2 4.42Å; K160-V169 WeakPolarHBondContact CA-O 3.3Å
161	C	75.8	Confident	81.6	Confident	4 Å²	4	68.2 Å²	68.2	3%	0.027	34%	0.336	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-137.2	168.6	173.1	56.7	0	0	0	0	110.6	F28 C30 Y159 T168 V169 E171	F28-C161 HydrophobicContact CB-CB 4.16Å; F28-C161 HydrophobicContact CD1-CB 3.54Å; F28-C161 HydrophobicContact CE1-CB 4.39Å; F28-C161 HydrophobicContact CG-CB 4.17Å; F28-C161 CarbonylContact O-C 3.58Å; F28-C161 WeakPolarHBondContact O-CA 3.48Å; F28-C161 VanDerWaalsContact O-CB 3.27Å; F28-C161 WeakPolarHBondContact O-CB 3.49Å; C30-C161 HydrophobicContact CB-CB 4.1Å; C30-C161 WeakPolarHBondContact CB-SG 3.31Å; C30-C161 WeakPolarHBondContact SG-CB 3.15Å; C30-C161 CovalentContact SG-SG 2.04Å; C30-C161 PolarHBondContact SG-SG 2.93Å; Y159-C161 HydrophobicContact CD2-CB 4.14Å; Y159-C161 HydrophobicContact CE2-CB 3.79Å; C161-T168 CarbonylContact O-C 3.44Å; C161-T168 WeakPolarHBondContact O-CA 3.34Å; C161-V169 PolarHBondContact N-O 2.65Å; C161-V169 PolarHBondContact O-N 3.39Å; C161-E171 WeakPolarHBondContact SG-CG 3.43Å
162	L	79.8	Confident	81.2	Confident	17 Å²	17	69.2 Å²	69.2	9%	0.089	34%	0.343	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-91.8	129	169	-64.3	-157	0	0	0	110.1	Q27 F28 T29 C30 A166 N167	Q27-L162 HydrophobicContact CB-CD1 3.45Å; Q27-L162 VanDerWaalsContact CB-CD1 3.45Å; Q27-L162 HydrophobicContact CB-CG 3.98Å; Q27-L162 HydrophobicContact CG-CD1 3.69Å; Q27-L162 HydrophobicContact CG-CG 4.45Å; F28-L162 PolarHBondContact O-N 3.15Å; T29-L162 CarbonylContact C-O 3.55Å; T29-L162 VanDerWaalsContact CA-O 3.29Å; T29-L162 WeakPolarHBondContact CA-O 3.47Å; C30-L162 PolarHBondContact N-O 3.14Å; C30-L162 PolarHBondContact SG-O 2.95Å; L162-A166 HydrophobicContact CD1-CB 4.14Å; L162-N167 VanDerWaalsContact CA-O 3.25Å; L162-N167 WeakPolarHBondContact CA-O 3.31Å
163	D	82.2	Confident	80.6	Confident	38 Å²	38	64.7 Å²	64.7	20%	0.203	32%	0.322	C	S	.	.			trans	-70.9	-177.3	168.7	68.4	11.2	0	0	0	111.6	Q165 A166 N167 V169	D163-Q165 PolarHBondContact O-N 2.91Å; D163-Q165 VanDerWaalsContact O-N 3.09Å; D163-Q165 VanDerWaalsContact OD1-CA 3.26Å; D163-Q165 WeakPolarHBondContact OD1-CA 3.41Å; D163-Q165 WeakPolarHBondContact OD1-CB 3.08Å; D163-Q165 PolarHBondContact OD1-N 3.43Å; D163-A166 PolarHBondContact O-N 3.08Å; D163-A166 PolarHBondContact OD1-N 3.46Å; D163-N167 PolarHBondContact N-O 3.38Å; D163-N167 PolarHBondContact OD1-N 3.07Å; D163-N167 WeakPolarHBondContact OD2-CB 3.12Å; D163-N167 PolarHBondContact OD2-ND2 2.87Å; D163-N167 VanDerWaalsContact OD2-ND2 3.16Å; D163-V169 HydrophobicContact CB-CG1 4.13Å; D163-V169 HydrophobicContact CB-CG2 4.24Å
164	K	82.5	Confident	80	Confident	160 Å²	160	64.9 Å²	64.9	70%	0.696	32%	0.322	S	S	*	.	T	Hydrogen-bonded Turn	trans	-62.4	-16.2	177.9	-52.4	-169.9	-169.9	-136.2	0	113.3	E31	E31-K164 HydrophobicContact CG-CG 4.11Å; E31-K164 WeakPolarHBondContact OE1-CD 3.25Å; E31-K164 WeakPolarHBondContact OE1-CE 3.25Å; E31-K164 WeakPolarHBondContact OE1-CG 3.26Å; E31-K164 IonicContact OE1-NZ 3.21Å; E31-K164 PolarHBondContact OE1-NZ 2.81Å
165	Q	85.2	Confident	79.9	Confident	135 Å²	135	65.8 Å²	65.8	63%	0.631	33%	0.326	S	S	*	.	T	Hydrogen-bonded Turn	trans	-101.7	9.3	-179.9	-66.1	77.3	21.6	0	0	112.2	D163 N167	D163-Q165 PolarHBondContact O-N 2.91Å; D163-Q165 VanDerWaalsContact O-N 3.09Å; D163-Q165 VanDerWaalsContact OD1-CA 3.26Å; D163-Q165 WeakPolarHBondContact OD1-CA 3.41Å; D163-Q165 WeakPolarHBondContact OD1-CB 3.08Å; D163-Q165 PolarHBondContact OD1-N 3.43Å; Q165-N167 VanDerWaalsContact C-N 3.25Å; Q165-N167 WeakPolarHBondContact CB-ND2 3.27Å; Q165-N167 PolarHBondContact O-N 2.85Å
166	A	82	Confident	80.1	Confident	63 Å²	63	64.4 Å²	64.4	52%	0.521	32%	0.318	S	S	.	.	S	Bend	trans	63.8	21.2	-177.4	0	0	0	0	0	115.1	L162 D163	L162-A166 HydrophobicContact CD1-CB 4.14Å; D163-A166 PolarHBondContact O-N 3.08Å; D163-A166 PolarHBondContact OD1-N 3.46Å
167	N	85.1	Confident	80.5	Confident	92 Å²	92	66.2 Å²	66.2	49%	0.492	33%	0.325	S	S	.	.			trans	-84.9	139.1	171.9	-55.3	-62.8	0	0	0	110.6	L162 D163 Q165 V169	L162-N167 VanDerWaalsContact CA-O 3.25Å; L162-N167 WeakPolarHBondContact CA-O 3.31Å; D163-N167 PolarHBondContact N-O 3.38Å; D163-N167 PolarHBondContact OD1-N 3.07Å; D163-N167 WeakPolarHBondContact OD2-CB 3.12Å; D163-N167 PolarHBondContact OD2-ND2 2.87Å; D163-N167 VanDerWaalsContact OD2-ND2 3.16Å; Q165-N167 VanDerWaalsContact C-N 3.25Å; Q165-N167 WeakPolarHBondContact CB-ND2 3.27Å; Q165-N167 PolarHBondContact O-N 2.85Å; N167-V169 PolarHBondContact O-N 2.79Å
168	T	82.6	Confident	81.3	Confident	100 Å²	100	62 Å²	62	61%	0.613	31%	0.309	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-69.9	113.8	170.9	-56.6	0	0	0	0	110.3	K160 C161	K160-T168 HydrophobicContact CB-CG2 4.16Å; K160-T168 HydrophobicContact CD-CG2 4.25Å; K160-T168 HydrophobicContact CG-CG2 4.42Å; C161-T168 CarbonylContact O-C 3.44Å; C161-T168 WeakPolarHBondContact O-CA 3.34Å
169	V	83.2	Confident	82.1	Confident	38 Å²	38	57 Å²	57	23%	0.23	29%	0.293	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-115.1	164.7	174.6	-60	0	0	0	0	110.4	C30 K160 C161 D163 N167 E171	C30-V169 WeakPolarHBondContact SG-CG2 3.05Å; K160-V169 WeakPolarHBondContact CA-O 3.3Å; C161-V169 PolarHBondContact N-O 2.65Å; C161-V169 PolarHBondContact O-N 3.39Å; D163-V169 HydrophobicContact CB-CG1 4.13Å; D163-V169 HydrophobicContact CB-CG2 4.24Å; N167-V169 PolarHBondContact O-N 2.79Å; V169-E171 HydrophobicContact CG2-CG 4.35Å
170	S	78.4	Confident	83.1	Confident	60 Å²	60	60.2 Å²	60.2	42%	0.42	31%	0.307	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-117.4	109	177	-64.3	0	0	0	0	109.9	Y159	Y159-S170 CarbonylContact O-C 3.54Å; Y159-S170 VanDerWaalsContact O-CA 3.3Å; Y159-S170 WeakPolarHBondContact O-CA 3.15Å
171	E	77.7	Confident	84	Confident	69 Å²	69	56.7 Å²	56.7	32%	0.322	30%	0.296	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-97.5	144.8	-177.6	-71	-61.8	140	0	0	110.6	C30 R158 Y159 C161 V169	C30-E171 HydrophobicContact CB-CG 4.13Å; R158-E171 WeakPolarHBondContact CA-O 3.41Å; R158-E171 WeakPolarHBondContact CB-O 3.43Å; Y159-E171 HydrophobicContact CD1-CB 4.33Å; Y159-E171 WeakPolarHBondContact CD1-O 3.33Å; Y159-E171 HydrophobicContact CE1-CB 3.62Å; Y159-E171 HydrophobicContact CE2-CB 3.9Å; Y159-E171 HydrophobicContact CE2-CG 4.49Å; Y159-E171 PolarHBondContact N-O 3.13Å; Y159-E171 PolarHBondContact O-N 3.01Å; Y159-E171 VanDerWaalsContact OH-CB 3.3Å; Y159-E171 WeakPolarHBondContact OH-CB 3.37Å; C161-E171 WeakPolarHBondContact SG-CG 3.43Å; V169-E171 HydrophobicContact CG2-CG 4.35Å
172	P	75.4	Confident	84.9	Confident	27 Å²	27	56.5 Å²	56.5	18%	0.175	30%	0.295	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-66.9	135.9	171.9	30.1	-32.2	0	0	0	109.9	N35 D156	N35-P172 PolarHBondContact OD1-O 2.77Å; D156-P172 WeakPolarHBondContact OD1-CB 3.45Å
173	Y	75.3	Confident	85.6	Confident	6 Å²	6	56 Å²	56	2%	0.024	29%	0.292	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-102.9	-53.8	173.1	157.4	-96.7	0	0	0	111.5	E55 Y157 M215 N228 R230 D231	E55-Y173 HydrophobicContact CG-CE1 4.29Å; E55-Y173 WeakPolarHBondContact OE1-CE1 3.39Å; E55-Y173 VanDerWaalsContact OE1-CZ 3.25Å; E55-Y173 PolarHBondContact OE1-OH 3.09Å; E55-Y173 WeakPolarHBondContact OE2-CE1 3.32Å; Y157-Y173 AromaticContact CD1-CD1 3.54Å; Y157-Y173 HydrophobicContact CD1-CD1 3.54Å; Y157-Y173 HydrophobicContact CD1-CE1 4.33Å; Y157-Y173 HydrophobicContact CD1-CG 4.05Å; Y157-Y173 HydrophobicContact CE1-CD1 4.27Å; Y157-Y173 HydrophobicContact CG-CD1 4.49Å; Y157-Y173 PolarHBondContact O-N 3.48Å; Y173-M215 HydrophobicContact CE2-CE 4.4Å; Y173-N228 PolarHBondContact OH-ND2 2.87Å; Y173-R230 HydrophobicContact CD2-CB 3.52Å; Y173-R230 WeakPolarHBondContact CD2-O 3.03Å; Y173-R230 HydrophobicContact CE2-CB 3.54Å; Y173-D231 WeakPolarHBondContact OH-CB 3.44Å
174	N	77.2	Confident	86.1	Confident	12 Å²	12	59.4 Å²	59.4	6%	0.064	31%	0.305	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-139.3	99.3	179.4	-170.8	12	0	0	0	109.1	H53 Y157	H53-N174 PolarHBondContact O-ND2 3.05Å; Y157-N174 PolarHBondContact N-O 2.04Å
175	R	85.4	Confident	86.6	Confident	105 Å²	105	54.5 Å²	54.5	40%	0.396	29%	0.29	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-96.3	119.2	173.4	179.9	179.2	-62.9	179	2.2	108.9	W154 I155 D156	W154-R175 HydrophobicContact CB-CG 3.85Å; W154-R175 HydrophobicContact CG-CG 3.79Å; I155-R175 CarbonylContact O-C 3.54Å; I155-R175 WeakPolarHBondContact O-CA 3.15Å; D156-R175 IonicContact OD2-CZ 3.14Å; D156-R175 IonicContact OD2-NE 2.83Å; D156-R175 IonicContact OD2-NH2 3.32Å; D156-R175 PolarHBondContact OD2-NH2 2.91Å; D156-R175 VanDerWaalsContact OD2-NH2 3.11Å
176	I	90.6	Very high	87	Confident	2 Å²	2	48.6 Å²	48.6	1%	0.01	27%	0.266	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-106.3	106.8	178	-54	172.9	0	0	0	108.4	H53 Y56 Q58 W154 I155 F191	H53-I176 HydrophobicContact CB-CD1 3.43Å; H53-I176 VanDerWaalsContact CB-CD1 3.43Å; H53-I176 HydrophobicContact CB-CG1 3.61Å; H53-I176 HydrophobicContact CB-CG2 4.2Å; Y56-I176 HydrophobicContact CD2-CD1 4.33Å; Y56-I176 HydrophobicContact CG-CD1 4.42Å; Q58-I176 HydrophobicContact CB-CG2 4.36Å; W154-I176 CarbonylContact C-O 3.58Å; W154-I176 WeakPolarHBondContact CA-O 3.43Å; W154-I176 VanDerWaalsContact CB-O 3.27Å; W154-I176 WeakPolarHBondContact CB-O 3.41Å; I155-I176 HydrophobicContact CD1-CB 4.36Å; I155-I176 HydrophobicContact CD1-CD1 3.98Å; I155-I176 HydrophobicContact CG1-CB 3.79Å; I155-I176 HydrophobicContact CG1-CD1 4.27Å; I155-I176 HydrophobicContact CG1-CG1 4.3Å; I155-I176 PolarHBondContact N-O 3.01Å; I155-I176 PolarHBondContact O-N 3.21Å; I176-F191 HydrophobicContact CB-CE1 4.1Å; I176-F191 HydrophobicContact CG2-CD1 4.38Å; I176-F191 HydrophobicContact CG2-CE1 3.64Å
177	Q	92.2	Very high	87.7	Confident	81 Å²	81	45.6 Å²	45.6	38%	0.379	24%	0.241	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-90.2	141.8	-176.1	-175.7	165.4	-4.5	0	0	111.3	Q58 W154	Q58-Q177 PolarHBondContact NE2-O 2.83Å; W154-Q177 HydrophobicContact CB-CB 4.33Å
178	I	94.7	Very high	88.3	Confident	0 Å²	0	42.2 Å²	42.2	0%	0	22%	0.223	C	C	.	.	P	Polyproline II helix	trans	-82.3	124	166.5	-60.1	166.4	0	0	0	107.1	I60 I137 S153 F182 I183 V189	I60-I178 HydrophobicContact CD1-CG2 4.14Å; I137-I178 HydrophobicContact CD1-CD1 4.02Å; S153-I178 PolarHBondContact O-N 3.01Å; I178-F182 HydrophobicContact CG2-CB 4.3Å; I178-I183 HydrophobicContact CB-CD1 4.43Å; I178-I183 HydrophobicContact CB-CG1 4.17Å; I178-I183 HydrophobicContact CG2-CD1 4.46Å; I178-I183 HydrophobicContact CG2-CG1 3.68Å; I178-V189 HydrophobicContact CD1-CB 4.14Å; I178-V189 HydrophobicContact CD1-CG1 4.21Å; I178-V189 HydrophobicContact CD1-CG2 3.61Å; I178-V189 HydrophobicContact CG1-CG1 4.17Å; I178-V189 HydrophobicContact CG1-CG2 4.01Å; I178-V189 HydrophobicContact CG2-CG2 4.25Å
179	P	94.3	Very high	89	Confident	21 Å²	21	37.4 Å²	37.4	14%	0.136	19%	0.194	C	C	.	.	P	Polyproline II helix	trans	-63.8	139.1	179.7	-15.8	28.3	0	0	0	110.9	I60 N181 F182 I183	I60-P179 VanDerWaalsContact CD1-CD 3.49Å; I60-P179 HydrophobicContact CD1-CG 4.33Å; P179-N181 VanDerWaalsContact CB-OD1 3.28Å; P179-N181 WeakPolarHBondContact CB-OD1 3.1Å; P179-N181 PolarHBondContact O-N 2.66Å; P179-N181 VanDerWaalsContact O-N 3.13Å; P179-F182 HydrophobicContact CB-CD2 4.03Å; P179-F182 HydrophobicContact CG-CD2 4.08Å; P179-F182 PolarHBondContact O-N 2.86Å; P179-I183 PolarHBondContact O-N 2.02Å
180	K	92.6	Very high	89.7	Confident	76 Å²	76	36.8 Å²	36.8	33%	0.33	19%	0.188	S	C	.	.	G	3₁₀ helix	trans	-56.7	-35.8	-169.9	-62.9	-170.3	179.4	-177.5	0	113.6	E149 L151 F182 I183	E149-K180 PolarHBondContact O-NZ 2.92Å; L151-K180 WeakPolarHBondContact O-CE 3.3Å; K180-F182 PolarHBondContact O-N 3.17Å; K180-I183 PolarHBondContact O-N 3.25Å; K180-I183 VanDerWaalsContact O-N 3.1Å
181	N	92.4	Very high	90.5	Very high	85 Å²	85	33.9 Å²	33.9	46%	0.455	17%	0.168	S	C	.	.	G	3₁₀ helix	trans	-64.2	-19.4	177.9	61.1	-53.5	0	0	0	113.8	P179 K184	P179-N181 VanDerWaalsContact CB-OD1 3.28Å; P179-N181 WeakPolarHBondContact CB-OD1 3.1Å; P179-N181 PolarHBondContact O-N 2.66Å; P179-N181 VanDerWaalsContact O-N 3.13Å; N181-K184 WeakPolarHBondContact O-CE 2.99Å; N181-K184 PolarHBondContact O-NZ 3.41Å
182	F	95.2	Very high	91.3	Very high	0 Å²	0	34 Å²	34	0%	0	17%	0.168	C	C	.	.	G	3₁₀ helix	trans	-97.4	-9	175	-71.4	-79.5	0	0	0	113.8	R49 I60 L62 I178 P179 K180 K184 T187	R49-F182 HydrophobicContact CB-CE2 4Å; R49-F182 HydrophobicContact CB-CZ 3.89Å; I60-F182 HydrophobicContact CB-CD1 4.41Å; I60-F182 HydrophobicContact CD1-CB 4.34Å; I60-F182 HydrophobicContact CD1-CD2 4.36Å; I60-F182 HydrophobicContact CD1-CG 4.33Å; I60-F182 HydrophobicContact CG2-CB 3.74Å; I60-F182 HydrophobicContact CG2-CD1 3.55Å; I60-F182 HydrophobicContact CG2-CE1 4.33Å; I60-F182 HydrophobicContact CG2-CG 3.75Å; L62-F182 HydrophobicContact CD1-CD1 4.22Å; L62-F182 HydrophobicContact CD2-CB 4.39Å; L62-F182 HydrophobicContact CD2-CD1 3.81Å; L62-F182 HydrophobicContact CG-CD1 3.93Å; L62-F182 HydrophobicContact CG-CE1 4.4Å; I178-F182 HydrophobicContact CG2-CB 4.3Å; P179-F182 HydrophobicContact CB-CD2 4.03Å; P179-F182 HydrophobicContact CG-CD2 4.08Å; P179-F182 PolarHBondContact O-N 2.86Å; K180-F182 PolarHBondContact O-N 3.17Å; F182-K184 PolarHBondContact O-N 2.92Å; F182-T187 WeakPolarHBondContact O-CB 3.44Å; F182-T187 VanDerWaalsContact O-CG2 3.23Å; F182-T187 WeakPolarHBondContact O-CG2 3.4Å; F182-T187 PolarHBondContact O-OG1 3.16Å
183	I	93.8	Very high	92	Very high	5 Å²	5	34.2 Å²	34.2	3%	0.026	17%	0.17	C	C	.	.			trans	-79	87.1	177.6	-56.1	179.5	0	0	0	107.9	Y92 I139 I142 L151 I178 P179 K180	Y92-I183 HydrophobicContact CE1-CG2 3.96Å; I139-I183 HydrophobicContact CD1-CB 4.32Å; I139-I183 HydrophobicContact CD1-CG2 3.81Å; I142-I183 HydrophobicContact CD1-CG2 3.68Å; I142-I183 WeakPolarHBondContact CD1-O 3.36Å; L151-I183 HydrophobicContact CB-CB 4.45Å; L151-I183 HydrophobicContact CB-CD1 4.16Å; L151-I183 HydrophobicContact CB-CG2 4.15Å; L151-I183 HydrophobicContact CD1-CB 4.3Å; L151-I183 HydrophobicContact CD1-CG2 4.07Å; L151-I183 HydrophobicContact CD2-CG2 4.35Å; L151-I183 HydrophobicContact CG-CG2 4.44Å; I178-I183 HydrophobicContact CB-CD1 4.43Å; I178-I183 HydrophobicContact CB-CG1 4.17Å; I178-I183 HydrophobicContact CG2-CD1 4.46Å; I178-I183 HydrophobicContact CG2-CG1 3.68Å; P179-I183 PolarHBondContact O-N 2.02Å; K180-I183 PolarHBondContact O-N 3.25Å; K180-I183 VanDerWaalsContact O-N 3.1Å
184	K	92.6	Very high	92.7	Very high	111 Å²	111	34 Å²	34	48%	0.483	17%	0.169	S	C	.	.	S	Bend	trans	-137.6	160.3	-178	-66.5	177.4	179.7	168.5	0	110.5	L62 I139 I142 N181 F182 T187	L62-K184 HydrophobicContact CD1-CD 4.32Å; I139-K184 VanDerWaalsContact CB-O 3.32Å; I139-K184 WeakPolarHBondContact CB-O 3.45Å; I139-K184 VanDerWaalsContact CG2-O 3.29Å; I139-K184 WeakPolarHBondContact CG2-O 3.17Å; I142-K184 VanDerWaalsContact CD1-CA 3.47Å; N181-K184 WeakPolarHBondContact O-CE 2.99Å; N181-K184 PolarHBondContact O-NZ 3.41Å; F182-K184 PolarHBondContact O-N 2.92Å; K184-T187 PolarHBondContact N-OG1 2.71Å; K184-T187 WeakPolarHBondContact O-CB 3.13Å; K184-T187 PolarHBondContact O-N 2.96Å; K184-T187 PolarHBondContact O-OG1 3.26Å
185	S	92.9	Very high	93.2	Very high	56 Å²	56	37.6 Å²	37.6	39%	0.392	19%	0.191	S	C	.	.	T	Hydrogen-bonded Turn	trans	-58.8	140.7	167.7	-54	0	0	0	0	109.8	I139 I142 T187	I139-S185 CarbonylContact O-C 3.58Å; I139-S185 WeakPolarHBondContact O-CA 2.97Å; I142-S185 PolarHBondContact N-OG 2.99Å; S185-T187 VanDerWaalsContact C-N 3.31Å
186	G	94.3	Very high	93.3	Very high	11 Å²	11	37.1 Å²	37.1	11%	0.113	19%	0.194	C	C	.	.	T	Hydrogen-bonded Turn	trans	78.5	5.8	-175	0	0	0	0	0	115	D63 Q64 I139	D63-G186 PolarHBondContact N-O 3.49Å; Q64-G186 PolarHBondContact N-O 3.26Å; I139-G186 PolarHBondContact O-N 3.19Å
187	T	96.5	Very high	93.3	Very high	0 Å²	0	37 Å²	37	0%	0	19%	0.193	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-78.7	125.5	176.2	-60.6	0	0	0	0	111.1	I60 R61 L62 Y138 I139 F182 K184 S185 V189	I60-T187 HydrophobicContact CG2-CG2 3.83Å; R61-T187 WeakPolarHBondContact O-CA 3.44Å; L62-T187 HydrophobicContact CD2-CG2 4.03Å; L62-T187 WeakPolarHBondContact CD2-OG1 3.49Å; Y138-T187 WeakPolarHBondContact CA-O 3.32Å; I139-T187 HydrophobicContact CD1-CG2 4.39Å; I139-T187 PolarHBondContact N-O 3.34Å; F182-T187 WeakPolarHBondContact O-CB 3.44Å; F182-T187 VanDerWaalsContact O-CG2 3.23Å; F182-T187 WeakPolarHBondContact O-CG2 3.4Å; F182-T187 PolarHBondContact O-OG1 3.16Å; K184-T187 PolarHBondContact N-OG1 2.71Å; K184-T187 WeakPolarHBondContact O-CB 3.13Å; K184-T187 PolarHBondContact O-N 2.96Å; K184-T187 PolarHBondContact O-OG1 3.26Å; S185-T187 VanDerWaalsContact C-N 3.31Å; T187-V189 HydrophobicContact CG2-CG2 3.86Å
188	L	96.9	Very high	93.2	Very high	21 Å²	21	33.1 Å²	33.1	11%	0.11	18%	0.175	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-104.3	125	166.3	-175.6	65	0	0	0	110.1	I60 R61 Q64 F136 Y138	I60-L188 WeakPolarHBondContact CA-O 3.47Å; R61-L188 PolarHBondContact N-O 3.09Å; R61-L188 PolarHBondContact O-N 3.06Å; Q64-L188 HydrophobicContact CB-CB 3.9Å; Q64-L188 HydrophobicContact CG-CB 3.84Å; F136-L188 HydrophobicContact CB-CD1 4.26Å; F136-L188 HydrophobicContact CD1-CD1 3.92Å; F136-L188 HydrophobicContact CD1-CD2 4.44Å; F136-L188 HydrophobicContact CD1-CG 4.31Å; Y138-L188 HydrophobicContact CD2-CB 4.19Å; Y138-L188 HydrophobicContact CD2-CD1 4.07Å
189	V	97.6	Very high	92.9	Very high	0 Å²	0	35 Å²	35	0%	0	18%	0.183	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-113.9	123.2	171.8	-173.7	0	0	0	0	108.7	Q58 T59 I60 F136 I137 I178 T187 F191	Q58-V189 HydrophobicContact CG-CG1 3.8Å; T59-V189 CarbonylContact O-C 3.57Å; T59-V189 WeakPolarHBondContact O-CA 3.39Å; I60-V189 HydrophobicContact CG1-CG1 4.07Å; I60-V189 HydrophobicContact CG1-CG2 4.12Å; I60-V189 HydrophobicContact CG2-CG2 4.25Å; F136-V189 CarbonylContact C-O 3.51Å; F136-V189 WeakPolarHBondContact CA-O 3.33Å; I137-V189 HydrophobicContact CB-CB 4.23Å; I137-V189 PolarHBondContact N-O 2.85Å; I137-V189 PolarHBondContact O-N 2.86Å; I178-V189 HydrophobicContact CD1-CB 4.14Å; I178-V189 HydrophobicContact CD1-CG1 4.21Å; I178-V189 HydrophobicContact CD1-CG2 3.61Å; I178-V189 HydrophobicContact CG1-CG1 4.17Å; I178-V189 HydrophobicContact CG1-CG2 4.01Å; I178-V189 HydrophobicContact CG2-CG2 4.25Å; T187-V189 HydrophobicContact CG2-CG2 3.86Å; V189-F191 HydrophobicContact CB-CE2 4.35Å; V189-F191 HydrophobicContact CG1-CD2 4.24Å; V189-F191 HydrophobicContact CG1-CE1 4.32Å; V189-F191 HydrophobicContact CG1-CE2 3.54Å; V189-F191 HydrophobicContact CG1-CZ 3.61Å
190	E	96.8	Very high	92.6	Very high	24 Å²	24	38.2 Å²	38.2	11%	0.112	20%	0.198	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-107.2	133.2	175.2	179.3	177.7	167.8	0	0	109.2	Q58 T59 R61 K134 M135 F136	Q58-E190 CarbonylContact C-O 3.57Å; Q58-E190 WeakPolarHBondContact CA-O 3.39Å; T59-E190 PolarHBondContact N-O 3.02Å; T59-E190 PolarHBondContact O-N 2.89Å; R61-E190 IonicContact NH1-OE2 3.17Å; R61-E190 PolarHBondContact NH1-OE2 3.26Å; R61-E190 VanDerWaalsContact NH1-OE2 3.14Å; K134-E190 IonicContact NZ-OE1 3.08Å; K134-E190 PolarHBondContact NZ-OE1 3.29Å; M135-E190 CarbonylContact O-C 3.58Å; F136-E190 HydrophobicContact CD1-CB 3.85Å; F136-E190 HydrophobicContact CD1-CG 4.05Å; F136-E190 HydrophobicContact CE1-CB 3.67Å; F136-E190 HydrophobicContact CE1-CG 3.47Å; F136-E190 VanDerWaalsContact CE1-CG 3.47Å; F136-E190 HydrophobicContact CZ-CB 4.46Å; F136-E190 HydrophobicContact CZ-CG 3.78Å
191	F	95.6	Very high	92.7	Very high	0 Å²	0	36 Å²	36	0%	0	19%	0.188	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-114.5	118.7	169.2	-59.3	-87.3	0	0	0	108.6	Y56 F57 Q58 K134 M135 I137 I155 I176 V189	Y56-F191 HydrophobicContact CD1-CB 3.76Å; Y56-F191 HydrophobicContact CE1-CB 4.4Å; Y56-F191 HydrophobicContact CG-CB 4.37Å; F57-F191 VanDerWaalsContact O-CA 3.31Å; F57-F191 WeakPolarHBondContact O-CA 2.85Å; Q58-F191 HydrophobicContact CB-CD1 4.16Å; Q58-F191 HydrophobicContact CB-CE1 4.11Å; Q58-F191 HydrophobicContact CG-CD1 4.2Å; Q58-F191 HydrophobicContact CG-CE1 3.78Å; Q58-F191 HydrophobicContact CG-CZ 4.32Å; K134-F191 WeakPolarHBondContact CA-O 3.11Å; M135-F191 HydrophobicContact CB-CB 4.23Å; M135-F191 HydrophobicContact CB-CD2 4.36Å; M135-F191 HydrophobicContact CE-CB 4.13Å; M135-F191 PolarHBondContact N-O 2.79Å; M135-F191 PolarHBondContact O-N 2.75Å; I137-F191 HydrophobicContact CD1-CE2 3.65Å; I137-F191 HydrophobicContact CD1-CZ 4.27Å; I137-F191 HydrophobicContact CG1-CE2 3.92Å; I155-F191 HydrophobicContact CD1-CB 4.36Å; I155-F191 HydrophobicContact CD1-CD1 3.46Å; I155-F191 VanDerWaalsContact CD1-CD1 3.46Å; I155-F191 HydrophobicContact CD1-CD2 4.29Å; I155-F191 HydrophobicContact CD1-CE1 3.67Å; I155-F191 HydrophobicContact CD1-CE2 4.47Å; I155-F191 HydrophobicContact CD1-CG 3.78Å; I155-F191 HydrophobicContact CD1-CZ 4.18Å; I155-F191 HydrophobicContact CG1-CD1 4.16Å; I155-F191 HydrophobicContact CG1-CE1 3.83Å; I155-F191 HydrophobicContact CG1-CZ 4.08Å; I155-F191 HydrophobicContact CG2-CD2 4.46Å; I155-F191 HydrophobicContact CG2-CE2 4.05Å; I155-F191 HydrophobicContact CG2-CZ 4.16Å; I176-F191 HydrophobicContact CB-CE1 4.1Å; I176-F191 HydrophobicContact CG2-CD1 4.38Å; I176-F191 HydrophobicContact CG2-CE1 3.64Å; V189-F191 HydrophobicContact CB-CE2 4.35Å; V189-F191 HydrophobicContact CG1-CD2 4.24Å; V189-F191 HydrophobicContact CG1-CE1 4.32Å; V189-F191 HydrophobicContact CG1-CE2 3.54Å; V189-F191 HydrophobicContact CG1-CZ 3.61Å
192	E	94.2	Very high	92.8	Very high	71 Å²	71	38 Å²	38	33%	0.332	20%	0.203	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-111.7	126.6	177.5	176.6	160.9	-146	0	0	109.7	Y56 F57 K134 N194	Y56-E192 CarbonylContact C-O 3.55Å; Y56-E192 VanDerWaalsContact CA-O 3.24Å; Y56-E192 WeakPolarHBondContact CA-O 3.27Å; Y56-E192 VanDerWaalsContact CD1-C 3.48Å; F57-E192 PolarHBondContact N-O 3.4Å; F57-E192 PolarHBondContact O-N 2.88Å; K134-E192 WeakPolarHBondContact CE-OE1 3.34Å; K134-E192 IonicContact NZ-OE1 2.64Å; K134-E192 PolarHBondContact NZ-OE1 3.21Å; K134-E192 IonicContact NZ-OE2 2.71Å; K134-E192 PolarHBondContact NZ-OE2 2.83Å; E192-N194 PolarHBondContact O-N 2.96Å
193	P	90.5	Very high	92.8	Very high	31 Å²	31	39.5 Å²	39.5	20%	0.201	21%	0.214	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-54.2	130.3	175.7	-25.8	33.5	0	0	0	111.5	Y56 T195	Y56-P193 HydrophobicContact CD1-CG 4.39Å; Y56-P193 HydrophobicContact CE1-CB 4.27Å; Y56-P193 HydrophobicContact CE1-CG 3.76Å; P193-T195 PolarHBondContact O-N 3.08Å
194	N	90.5	Very high	92.9	Very high	3 Å²	3	42.2 Å²	42.2	2%	0.016	23%	0.228	C	C	.	.			trans	-81.8	113.2	174.7	179.1	14	0	0	0	109.8	Y54 E55 F57 E192 E196 S197 K212	Y54-N194 WeakPolarHBondContact O-CB 3.14Å; Y54-N194 PolarHBondContact O-ND2 2.74Å; E55-N194 PolarHBondContact O-N 2.8Å; F57-N194 HydrophobicContact CD2-CB 4.07Å; F57-N194 HydrophobicContact CE2-CB 3.72Å; F57-N194 WeakPolarHBondContact CE2-OD1 3.32Å; F57-N194 HydrophobicContact CZ-CB 4.29Å; E192-N194 PolarHBondContact O-N 2.96Å; N194-E196 PolarHBondContact O-N 2.77Å; N194-E196 VanDerWaalsContact O-N 3.15Å; N194-E196 VanDerWaalsContact OD1-CB 3.31Å; N194-E196 WeakPolarHBondContact OD1-CB 3.14Å; N194-E196 PolarHBondContact OD1-N 3.42Å; N194-S197 PolarHBondContact O-N 3.31Å; N194-S197 PolarHBondContact O-OG 3.18Å; N194-K212 PolarHBondContact ND2-NZ 3.49Å
195	T	87.1	Confident	93.1	Very high	86 Å²	86	42.5 Å²	42.5	53%	0.528	23%	0.231	S	C	.	.	T	Hydrogen-bonded Turn	trans	-68.8	-9.3	177.1	58.5	0	0	0	0	113.4	P193 K201	P193-T195 PolarHBondContact O-N 3.08Å; T195-K201 PolarHBondContact O-NZ 3.14Å
196	E	89	Confident	93.2	Very high	95 Å²	95	42.7 Å²	42.7	44%	0.444	23%	0.23	S	C	.	.	T	Hydrogen-bonded Turn	trans	-92.1	7.1	176.6	-55.7	-50.7	117.2	0	0	114.3	N194 K201 A210	N194-E196 PolarHBondContact O-N 2.77Å; N194-E196 VanDerWaalsContact O-N 3.15Å; N194-E196 VanDerWaalsContact OD1-CB 3.31Å; N194-E196 WeakPolarHBondContact OD1-CB 3.14Å; N194-E196 PolarHBondContact OD1-N 3.42Å; E196-K201 IonicContact OE1-NZ 3.27Å; E196-K201 PolarHBondContact OE1-NZ 2.88Å; E196-K201 IonicContact OE2-NZ 3.71Å; E196-K201 PolarHBondContact OE2-NZ 3.17Å; E196-A210 WeakPolarHBondContact O-CB 3.22Å
197	S	88.9	Confident	93.3	Very high	0 Å²	0	42.1 Å²	42.1	0%	0	22%	0.224	C	C	.	.	S	Bend	trans	-76.6	151.7	175.8	-51.1	0	0	0	0	112.7	Y54 E55 N194 F199 M200	Y54-S197 PolarHBondContact O-OG 2.98Å; E55-S197 WeakPolarHBondContact CA-OG 3.29Å; N194-S197 PolarHBondContact O-N 3.31Å; N194-S197 PolarHBondContact O-OG 3.18Å; S197-F199 PolarHBondContact O-N 3.23Å; S197-M200 WeakPolarHBondContact O-CB 2.99Å; S197-M200 PolarHBondContact O-N 3.4Å
198	C	90.7	Very high	93.2	Very high	0 Å²	0	46.2 Å²	46.2	0%	0	25%	0.246	C	C	.	.	G	3₁₀ helix	trans	-48.5	-53.3	-179.3	-56.9	0	0	0	0	112.7	Y54 M200 K201 C217 C226	Y54-C198 PolarHBondContact OH-N 3.32Å; Y54-C198 PolarHBondContact OH-SG 3.42Å; C198-M200 PolarHBondContact O-N 3.21Å; C198-K201 WeakPolarHBondContact O-CB 3.3Å; C198-K201 PolarHBondContact O-N 3.33Å; C198-C217 WeakPolarHBondContact CA-SG 3.29Å; C198-C217 HydrophobicContact CB-CB 3.91Å; C198-C217 WeakPolarHBondContact CB-SG 3.31Å; C198-C217 WeakPolarHBondContact SG-CA 3.48Å; C198-C217 WeakPolarHBondContact SG-CB 2.99Å; C198-C217 CovalentContact SG-SG 2.02Å; C198-C217 PolarHBondContact SG-SG 2.95Å; C198-C226 WeakPolarHBondContact O-CB 3.13Å; C198-C226 PolarHBondContact O-SG 3.36Å
199	F	88	Confident	93.1	Very high	40 Å²	40	51.8 Å²	51.8	18%	0.175	28%	0.275	C	S	.	.	G	3₁₀ helix	trans	-63.9	-14.4	-173	74.6	-91	0	0	0	114	E55 S197 D231 T232 H233	E55-F199 HydrophobicContact CB-CE1 4.38Å; E55-F199 HydrophobicContact CG-CE1 4Å; S197-F199 PolarHBondContact O-N 3.23Å; F199-D231 HydrophobicContact CB-CB 4.4Å; F199-D231 HydrophobicContact CD1-CB 4.26Å; F199-T232 WeakPolarHBondContact CD2-OG1 3.34Å; F199-T232 WeakPolarHBondContact CG-OG1 3.43Å; F199-H233 PolarHBondContact O-CE1 3.46Å
200	M	89.1	Confident	92.9	Very high	88 Å²	88	52 Å²	52	43%	0.433	28%	0.278	S	S	.	.	G	3₁₀ helix	trans	-86.9	-10.8	175.8	-64.2	-64.4	-72.6	0	0	112.9	S197 C198	S197-M200 WeakPolarHBondContact O-CB 2.99Å; S197-M200 PolarHBondContact O-N 3.4Å; C198-M200 PolarHBondContact O-N 3.21Å
201	K	93.5	Very high	92.6	Very high	29 Å²	29	53.1 Å²	53.1	13%	0.126	29%	0.288	C	S	.	.			trans	-86.9	135.4	-176.2	-54	-51	-169.5	-173.2	0	111.7	T195 E196 C198 T206 C207 A210 C226	T195-K201 PolarHBondContact O-NZ 3.14Å; E196-K201 IonicContact OE1-NZ 3.27Å; E196-K201 PolarHBondContact OE1-NZ 2.88Å; E196-K201 IonicContact OE2-NZ 3.71Å; E196-K201 PolarHBondContact OE2-NZ 3.17Å; C198-K201 WeakPolarHBondContact O-CB 3.3Å; C198-K201 PolarHBondContact O-N 3.33Å; K201-T206 WeakPolarHBondContact CG-O 3.27Å; K201-C207 HydrophobicContact CB-CB 4.22Å; K201-A210 HydrophobicContact CD-CB 4.29Å; K201-A210 HydrophobicContact CG-CB 3.76Å; K201-C226 HydrophobicContact CB-CB 3.91Å; K201-C226 WeakPolarHBondContact O-CB 3.03Å
202	V	94.7	Very high	92.1	Very high	126 Å²	126	55.1 Å²	55.1	76%	0.764	30%	0.297	S	S	*	.			trans	-112.6	0.7	-170.3	-61.3	0	0	0	0	113.9	W219	V202-W219 WeakPolarHBondContact O-CH2 3.28Å
203	S	96	Very high	91.5	Very high	33 Å²	33	56.8 Å²	56.8	23%	0.231	31%	0.314	C	S	.	.	S	Bend	trans	-134.5	160.7	172.8	89.1	0	0	0	0	111.1	E205 T206 C207 W219	S203-E205 VanDerWaalsContact C-N 3.34Å; S203-E205 WeakPolarHBondContact CB-OE2 3.49Å; S203-E205 PolarHBondContact O-N 3.23Å; S203-E205 PolarHBondContact OG-N 3.43Å; S203-E205 PolarHBondContact OG-OE2 3.05Å; S203-T206 PolarHBondContact N-OG1 3.16Å; S203-T206 PolarHBondContact O-OG1 2.84Å; S203-T206 PolarHBondContact OG-N 2.96Å; S203-T206 PolarHBondContact OG-OG1 3.38Å; S203-C207 WeakPolarHBondContact O-CB 3.35Å; S203-C207 PolarHBondContact O-N 2.94Å; S203-W219 VanDerWaalsContact C-CZ3 3.43Å
204	N	96.1	Very high	90.9	Very high	62 Å²	62	63 Å²	63	33%	0.332	34%	0.34	S	S	.	.	H	α-helix	trans	-60.4	-43.6	177.4	179.9	37.3	0	0	0	112	C207 L208 W219	N204-C207 WeakPolarHBondContact O-CB 3.48Å; N204-C207 PolarHBondContact O-N 3.15Å; N204-L208 WeakPolarHBondContact O-CG 3.05Å; N204-L208 PolarHBondContact O-N 2Å; N204-W219 HydrophobicContact CB-CB 4.16Å; N204-W219 HydrophobicContact CB-CD2 3.95Å; N204-W219 HydrophobicContact CB-CG 3.68Å; N204-W219 WeakPolarHBondContact OD1-CB 2.93Å
205	E	96	Very high	90.5	Very high	117 Å²	117	63 Å²	63	55%	0.547	34%	0.34	S	S	.	.	H	α-helix	trans	-64.3	-53.9	-178	-56	70.4	-150.6	0	0	110.3	S203 C207 L208 D209	S203-E205 VanDerWaalsContact C-N 3.34Å; S203-E205 WeakPolarHBondContact CB-OE2 3.49Å; S203-E205 PolarHBondContact O-N 3.23Å; S203-E205 PolarHBondContact OG-N 3.43Å; S203-E205 PolarHBondContact OG-OE2 3.05Å; E205-C207 PolarHBondContact O-N 3.09Å; E205-L208 PolarHBondContact O-N 2.84Å; E205-L208 VanDerWaalsContact O-N 3.17Å; E205-D209 PolarHBondContact O-N 3.02Å; E205-D209 VanDerWaalsContact O-N 3.08Å
206	T	96.3	Very high	90.6	Very high	59 Å²	59	64.7 Å²	64.7	36%	0.362	34%	0.342	S	S	.	.	H	α-helix	trans	-63	-28.9	178.7	57.4	0	0	0	0	112.7	K201 S203 A210	K201-T206 WeakPolarHBondContact CG-O 3.27Å; S203-T206 PolarHBondContact N-OG1 3.16Å; S203-T206 PolarHBondContact O-OG1 2.84Å; S203-T206 PolarHBondContact OG-N 2.96Å; S203-T206 PolarHBondContact OG-OG1 3.38Å; T206-A210 WeakPolarHBondContact O-CB 3.42Å; T206-A210 PolarHBondContact O-N 2.93Å
207	C	95.6	Very high	90.7	Very high	0 Å²	0	60.1 Å²	60.1	0%	0	32%	0.321	C	S	.	.	H	α-helix	trans	-64.8	-51.5	173.7	-179.8	0	0	0	0	112	K201 S203 N204 E205 D209 A210 C217 H218 W219 C226	K201-C207 HydrophobicContact CB-CB 4.22Å; S203-C207 WeakPolarHBondContact O-CB 3.35Å; S203-C207 PolarHBondContact O-N 2.94Å; N204-C207 WeakPolarHBondContact O-CB 3.48Å; N204-C207 PolarHBondContact O-N 3.15Å; E205-C207 PolarHBondContact O-N 3.09Å; C207-D209 VanDerWaalsContact C-N 3.33Å; C207-D209 PolarHBondContact O-N 2.88Å; C207-A210 WeakPolarHBondContact O-CB 3.49Å; C207-A210 PolarHBondContact O-N 3.27Å; C207-C217 WeakPolarHBondContact O-CB 3.37Å; C207-H218 PolarHBondContact SG-O 3.27Å; C207-H218 VanDerWaalsContact SG-O 3.38Å; C207-W219 HydrophobicContact CB-CB 4.45Å; C207-W219 HydrophobicContact CB-CE3 3.85Å; C207-C226 WeakPolarHBondContact CA-SG 3.34Å; C207-C226 HydrophobicContact CB-CB 3.48Å; C207-C226 VanDerWaalsContact CB-CB 3.48Å; C207-C226 WeakPolarHBondContact CB-SG 3.43Å; C207-C226 VanDerWaalsContact SG-CA 3.56Å; C207-C226 WeakPolarHBondContact SG-CB 3.3Å; C207-C226 CovalentContact SG-SG 2.01Å; C207-C226 PolarHBondContact SG-SG 2.95Å
208	L	94.9	Very high	90.9	Very high	85 Å²	85	63.6 Å²	63.6	45%	0.445	34%	0.337	S	S	.	.	H	α-helix	trans	-65.5	-39.7	-177.7	-64.6	175	0	0	0	111.2	N204 E205 A210 S211	N204-L208 WeakPolarHBondContact O-CG 3.05Å; N204-L208 PolarHBondContact O-N 2Å; E205-L208 PolarHBondContact O-N 2.84Å; E205-L208 VanDerWaalsContact O-N 3.17Å; L208-A210 PolarHBondContact O-N 3.01Å; L208-S211 VanDerWaalsContact O-CB 3.3Å; L208-S211 WeakPolarHBondContact O-CB 2.93Å; L208-S211 PolarHBondContact O-N 3.38Å; L208-S211 PolarHBondContact O-OG 3.27Å
209	D	94.8	Very high	91.1	Very high	138 Å²	138	65.7 Å²	65.7	74%	0.738	35%	0.345	S	S	*	.	H	α-helix	trans	-63.9	-24	177.2	-69.4	-17.7	0	0	0	113.3	E205 C207 S211	E205-D209 PolarHBondContact O-N 3.02Å; E205-D209 VanDerWaalsContact O-N 3.08Å; C207-D209 VanDerWaalsContact C-N 3.33Å; C207-D209 PolarHBondContact O-N 2.88Å; D209-S211 PolarHBondContact O-N 3.13Å
210	A	92.3	Very high	91.4	Very high	6 Å²	6	64 Å²	64	5%	0.05	34%	0.338	C	S	.	.	T	Hydrogen-bonded Turn	trans	-76.8	-5	177.9	0	0	0	0	0	114.1	E196 K201 T206 C207 L208 K212	E196-A210 WeakPolarHBondContact O-CB 3.22Å; K201-A210 HydrophobicContact CD-CB 4.29Å; K201-A210 HydrophobicContact CG-CB 3.76Å; T206-A210 WeakPolarHBondContact O-CB 3.42Å; T206-A210 PolarHBondContact O-N 2.93Å; C207-A210 WeakPolarHBondContact O-CB 3.49Å; C207-A210 PolarHBondContact O-N 3.27Å; L208-A210 PolarHBondContact O-N 3.01Å; A210-K212 PolarHBondContact O-N 2.94Å
211	S	90.8	Very high	91.6	Very high	47 Å²	47	64.4 Å²	64.4	33%	0.329	35%	0.349	S	S	.	.			trans	-63.1	134.8	178.9	-60.3	0	0	0	0	111.2	L208 D209 C217	L208-S211 VanDerWaalsContact O-CB 3.3Å; L208-S211 WeakPolarHBondContact O-CB 2.93Å; L208-S211 PolarHBondContact O-N 3.38Å; L208-S211 PolarHBondContact O-OG 3.27Å; D209-S211 PolarHBondContact O-N 3.13Å; S211-C217 PolarHBondContact OG-N 2.88Å
212	K	85.9	Confident	91.5	Very high	41 Å²	41	68.1 Å²	68.1	18%	0.178	37%	0.374	C	S	.	.	B	Isolated β-bridge	trans	-118	161.6	173.6	-63	-169.2	-166.4	173.5	0	109.8	Y38 D52 Y54 N194 A210 E214 M215	Y38-K212 HydrophobicContact CE1-CD 4.21Å; Y38-K212 HydrophobicContact CE2-CB 4.14Å; Y38-K212 HydrophobicContact CE2-CD 4.22Å; D52-K212 VanDerWaalsContact CG-NZ 3.26Å; D52-K212 IonicContact OD1-NZ 3.71Å; D52-K212 PolarHBondContact OD1-NZ 2.82Å; D52-K212 VanDerWaalsContact OD1-NZ 3.08Å; D52-K212 IonicContact OD2-NZ 3.88Å; D52-K212 PolarHBondContact OD2-NZ 2.87Å; Y54-K212 HydrophobicContact CD2-CB 4.41Å; Y54-K212 HydrophobicContact CD2-CD 3.88Å; Y54-K212 HydrophobicContact CD2-CG 4.32Å; Y54-K212 HydrophobicContact CE2-CB 4.18Å; Y54-K212 HydrophobicContact CE2-CD 4.02Å; Y54-K212 HydrophobicContact CE2-CG 4.01Å; N194-K212 PolarHBondContact ND2-NZ 3.49Å; A210-K212 PolarHBondContact O-N 2.94Å; K212-E214 PolarHBondContact O-N 2.81Å; K212-M215 PolarHBondContact N-O 3.33Å; K212-M215 CarbonylContact O-C 3.27Å; K212-M215 VanDerWaalsContact O-C 3.27Å; K212-M215 PolarHBondContact O-N 2.86Å; K212-M215 VanDerWaalsContact O-O 3.09Å
213	P	81.9	Confident	91.4	Very high	106 Å²	106	63.3 Å²	63.3	69%	0.688	35%	0.348	S	S	*	.	T	Hydrogen-bonded Turn	trans	-49.3	132.4	169.2	-26.4	35.1	0	0	0	110.6	M215	P213-M215 PolarHBondContact O-N 3.4Å; P213-M215 VanDerWaalsContact O-N 3.13Å
214	E	77.8	Confident	91.4	Very high	161 Å²	161	67.4 Å²	67.4	75%	0.752	37%	0.367	S	S	*	.	T	Hydrogen-bonded Turn	trans	66.4	0.1	-176.9	-50.1	-176.6	176.8	0	0	116.4	K212	K212-E214 PolarHBondContact O-N 2.81Å
215	M	81.9	Confident	91.3	Very high	3 Å²	3	65.5 Å²	65.5	2%	0.015	36%	0.357	C	S	.	.	B	Isolated β-bridge	trans	-139.2	82.5	176.7	-163.7	72.4	95.8	0	0	111	V36 Y54 Y173 K212 P213 N228	V36-M215 HydrophobicContact CB-CE 3.76Å; V36-M215 HydrophobicContact CB-SD 4.4Å; V36-M215 HydrophobicContact CG1-CE 3.32Å; V36-M215 HydrophobicContact CG1-SD 3.92Å; V36-M215 HydrophobicContact CG2-CE 4.1Å; V36-M215 HydrophobicContact CG2-SD 4.14Å; Y54-M215 HydrophobicContact CD1-CE 3.62Å; Y54-M215 HydrophobicContact CD1-CG 3.85Å; Y54-M215 HydrophobicContact CD2-CB 3.79Å; Y54-M215 HydrophobicContact CD2-CE 4.47Å; Y54-M215 HydrophobicContact CD2-CG 3.65Å; Y54-M215 HydrophobicContact CE1-CE 4.03Å; Y54-M215 HydrophobicContact CE1-CG 3.5Å; Y54-M215 VanDerWaalsContact CE1-CG 3.5Å; Y54-M215 HydrophobicContact CE1-SD 4.36Å; Y54-M215 HydrophobicContact CE2-CB 3.59Å; Y54-M215 HydrophobicContact CE2-CG 3.3Å; Y54-M215 HydrophobicContact CG-CB 4.43Å; Y54-M215 HydrophobicContact CG-CE 3.89Å; Y54-M215 HydrophobicContact CG-CG 3.94Å; Y173-M215 HydrophobicContact CE2-CE 4.4Å; K212-M215 PolarHBondContact N-O 3.33Å; K212-M215 CarbonylContact O-C 3.27Å; K212-M215 VanDerWaalsContact O-C 3.27Å; K212-M215 PolarHBondContact O-N 2.86Å; K212-M215 VanDerWaalsContact O-O 3.09Å; P213-M215 PolarHBondContact O-N 3.4Å; P213-M215 VanDerWaalsContact O-N 3.13Å; M215-N228 HydrophobicContact CG-CB 4.3Å; M215-N228 HydrophobicContact SD-CB 3.84Å; M215-N228 PolarHBondContact SD-ND2 2.01Å
216	E	87.7	Confident	91.1	Very high	122 Å²	122	59.9 Å²	59.9	57%	0.57	33%	0.331	S	S	*	.			trans	-78.8	132.6	177	-165.3	176.5	172.7	0	0	110.9	H218 N228	E216-H218 IonicContact OE1-CE1 3.59Å; E216-H218 PolarHBondContact OE1-CE1 3.17Å; E216-H218 VanDerWaalsContact OE1-CE1 3.27Å; E216-H218 IonicContact OE1-ND1 2.94Å; E216-H218 IonicContact OE2-CE1 2.65Å; E216-N228 WeakPolarHBondContact O-CA 3.49Å; E216-N228 WeakPolarHBondContact O-CB 3.41Å
217	C	91	Very high	90.9	Very high	0 Å²	0	57.1 Å²	57.1	0%	0	31%	0.314	C	S	.	.			trans	-94.7	141.3	172.9	-65	0	0	0	0	110.3	Y54 C198 C207 S211	Y54-C217 PolarHBondContact OH-SG 2.83Å; C198-C217 WeakPolarHBondContact CA-SG 3.29Å; C198-C217 HydrophobicContact CB-CB 3.91Å; C198-C217 WeakPolarHBondContact CB-SG 3.31Å; C198-C217 WeakPolarHBondContact SG-CA 3.48Å; C198-C217 WeakPolarHBondContact SG-CB 2.99Å; C198-C217 CovalentContact SG-SG 2.02Å; C198-C217 PolarHBondContact SG-SG 2.95Å; C207-C217 WeakPolarHBondContact O-CB 3.37Å; S211-C217 PolarHBondContact OG-N 2.88Å
218	H	93.5	Very high	90.3	Very high	73 Å²	73	57.4 Å²	57.4	34%	0.338	32%	0.315	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-129.5	139.4	176.9	-57.3	-70.1	0	0	0	110.1	C207 E216 S227 W237	C207-H218 PolarHBondContact SG-O 3.27Å; C207-H218 VanDerWaalsContact SG-O 3.38Å; E216-H218 IonicContact OE1-CE1 3.59Å; E216-H218 PolarHBondContact OE1-CE1 3.17Å; E216-H218 VanDerWaalsContact OE1-CE1 3.27Å; E216-H218 IonicContact OE1-ND1 2.94Å; E216-H218 IonicContact OE2-CE1 2.65Å; H218-S227 PolarHBondContact N-O 3.21Å; H218-S227 PolarHBondContact O-N 3.23Å; H218-S227 VanDerWaalsContact O-O 3.13Å; H218-W237 HydrophobicContact CB-CH2 3.31Å; H218-W237 HydrophobicContact CB-CZ2 3.91Å; H218-W237 HydrophobicContact CB-CZ3 4.17Å; H218-W237 VanDerWaalsContact O-CZ3 3.22Å; H218-W237 WeakPolarHBondContact O-CZ3 3.13Å
219	W	95.3	Very high	89.6	Confident	44 Å²	44	53.8 Å²	53.8	17%	0.167	30%	0.299	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-88.2	129.7	174.2	-175.8	-105.9	0	0	0	110.7	V202 S203 N204 C207 N224 C226	V202-W219 WeakPolarHBondContact O-CH2 3.28Å; S203-W219 VanDerWaalsContact C-CZ3 3.43Å; N204-W219 HydrophobicContact CB-CB 4.16Å; N204-W219 HydrophobicContact CB-CD2 3.95Å; N204-W219 HydrophobicContact CB-CG 3.68Å; N204-W219 WeakPolarHBondContact OD1-CB 2.93Å; C207-W219 HydrophobicContact CB-CB 4.45Å; C207-W219 HydrophobicContact CB-CE3 3.85Å; W219-N224 WeakPolarHBondContact CZ2-OD1 3.33Å; W219-C226 HydrophobicContact CE3-CB 3.86Å; W219-C226 HydrophobicContact CZ3-CB 4.06Å
220	C	94	Very high	88.7	Confident	4 Å²	4	49.7 Å²	49.7	3%	0.027	27%	0.273	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-102.1	102.4	171	-173.3	0	0	0	0	111.2	T222 A223 N224 L225 W237 C242	C220-T222 VanDerWaalsContact C-N 3.28Å; C220-T222 PolarHBondContact O-N 3.17Å; C220-A223 HydrophobicContact CB-CB 4.1Å; C220-A223 PolarHBondContact O-N 3.06Å; C220-N224 WeakPolarHBondContact O-CA 3.37Å; C220-N224 PolarHBondContact O-N 3.47Å; C220-L225 HydrophobicContact CB-CD1 4.4Å; C220-L225 PolarHBondContact N-O 3.35Å; C220-L225 PolarHBondContact O-N 3.36Å; C220-W237 HydrophobicContact CB-CE3 3.85Å; C220-W237 HydrophobicContact CB-CH2 4.19Å; C220-W237 HydrophobicContact CB-CZ3 3.53Å; C220-C242 HydrophobicContact CB-CB 3.54Å; C220-C242 WeakPolarHBondContact CB-SG 3.05Å; C220-C242 WeakPolarHBondContact SG-CB 3.16Å; C220-C242 CovalentContact SG-SG 2Å; C220-C242 PolarHBondContact SG-SG 3.02Å
221	S	93.6	Very high	88.2	Confident	97 Å²	97	49.4 Å²	49.4	68%	0.678	27%	0.271	S	S	*	.	T	Hydrogen-bonded Turn	trans	-60.9	-35	178.2	-54.2	0	0	0	0	113.3
222	T	92.1	Very high	87.7	Confident	106 Å²	106	50.2 Å²	50.2	65%	0.65	27%	0.274	S	S	*	.	T	Hydrogen-bonded Turn	trans	-67.8	-37.5	179.9	-47.1	0	0	0	0	112.1	C220 N240	C220-T222 VanDerWaalsContact C-N 3.28Å; C220-T222 PolarHBondContact O-N 3.17Å; T222-N240 HydrophobicContact CG2-CB 4.08Å
223	A	92	Very high	87.6	Confident	26 Å²	26	50.8 Å²	50.8	22%	0.215	28%	0.277	C	S	.	.	T	Hydrogen-bonded Turn	trans	-96	-9.8	-178.9	0	0	0	0	0	113.7	C220 L225 N240	C220-A223 HydrophobicContact CB-CB 4.1Å; C220-A223 PolarHBondContact O-N 3.06Å; A223-L225 VanDerWaalsContact C-N 3.32Å; A223-L225 HydrophobicContact CB-CD2 3.65Å; A223-L225 HydrophobicContact CB-CG 3.7Å; A223-L225 PolarHBondContact O-N 3.22Å; A223-N240 HydrophobicContact CB-CB 3.75Å
224	N	95	Very high	87.4	Confident	119 Å²	119	46.3 Å²	46.3	64%	0.636	25%	0.248	S	C	*	.	T	Hydrogen-bonded Turn	trans	51.3	47	-173.5	-163.7	59.4	0	0	0	113.3	W219 C220	W219-N224 WeakPolarHBondContact CZ2-OD1 3.33Å; C220-N224 WeakPolarHBondContact O-CA 3.37Å; C220-N224 PolarHBondContact O-N 3.47Å
225	L	94.1	Very high	87.3	Confident	21 Å²	21	46 Å²	46	11%	0.11	24%	0.244	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-142	156.4	-179.9	65	81.7	0	0	0	111.8	C220 A223 H233 A236 W237	C220-L225 HydrophobicContact CB-CD1 4.4Å; C220-L225 PolarHBondContact N-O 3.35Å; C220-L225 PolarHBondContact O-N 3.36Å; A223-L225 VanDerWaalsContact C-N 3.32Å; A223-L225 HydrophobicContact CB-CD2 3.65Å; A223-L225 HydrophobicContact CB-CG 3.7Å; A223-L225 PolarHBondContact O-N 3.22Å; L225-H233 HydrophobicContact CD1-CB 3.81Å; L225-H233 HydrophobicContact CD2-CB 4.21Å; L225-A236 HydrophobicContact CD2-CB 3.59Å; L225-W237 HydrophobicContact CD1-CE3 3.88Å; L225-W237 HydrophobicContact CD1-CZ3 4.42Å
226	C	93.7	Very high	87.4	Confident	0 Å²	0	47.4 Å²	47.4	0%	0	26%	0.257	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-97.9	141.7	169.1	-175.4	0	0	0	0	110.4	C198 K201 C207 W219 H233	C198-C226 WeakPolarHBondContact O-CB 3.13Å; C198-C226 PolarHBondContact O-SG 3.36Å; K201-C226 HydrophobicContact CB-CB 3.91Å; K201-C226 WeakPolarHBondContact O-CB 3.03Å; C207-C226 WeakPolarHBondContact CA-SG 3.34Å; C207-C226 HydrophobicContact CB-CB 3.48Å; C207-C226 VanDerWaalsContact CB-CB 3.48Å; C207-C226 WeakPolarHBondContact CB-SG 3.43Å; C207-C226 VanDerWaalsContact SG-CA 3.56Å; C207-C226 WeakPolarHBondContact SG-CB 3.3Å; C207-C226 CovalentContact SG-SG 2.01Å; C207-C226 PolarHBondContact SG-SG 2.95Å; W219-C226 HydrophobicContact CE3-CB 3.86Å; W219-C226 HydrophobicContact CZ3-CB 4.06Å; C226-H233 PolarHBondContact O-ND1 3.48Å
227	S	90.2	Very high	87.2	Confident	0 Å²	0	42.2 Å²	42.2	0%	0	23%	0.232	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-158.7	157.3	175.8	-176.9	0	0	0	0	111.2	H218 G229 D231 W237	H218-S227 PolarHBondContact N-O 3.21Å; H218-S227 PolarHBondContact O-N 3.23Å; H218-S227 VanDerWaalsContact O-O 3.13Å; S227-G229 WeakPolarHBondContact OG-CA 3.41Å; S227-G229 PolarHBondContact OG-N 3.47Å; S227-D231 WeakPolarHBondContact CA-OD2 3.36Å; S227-D231 PolarHBondContact OG-OD1 2.96Å; S227-D231 PolarHBondContact OG-OD2 2.91Å; S227-D231 VanDerWaalsContact OG-OD2 3.05Å; S227-W237 VanDerWaalsContact CB-CE3 3.43Å
228	N	84.1	Confident	86.6	Confident	6 Å²	6	44.2 Å²	44.2	3%	0.032	24%	0.242	C	C	.	.			trans	-87.7	8.5	162.3	62.5	28.2	0	0	0	112.9	Y173 M215 E216 R230 D231	Y173-N228 PolarHBondContact OH-ND2 2.87Å; M215-N228 HydrophobicContact CG-CB 4.3Å; M215-N228 HydrophobicContact SD-CB 3.84Å; M215-N228 PolarHBondContact SD-ND2 2.01Å; E216-N228 WeakPolarHBondContact O-CA 3.49Å; E216-N228 WeakPolarHBondContact O-CB 3.41Å; N228-R230 VanDerWaalsContact C-N 3.27Å; N228-R230 PolarHBondContact O-N 2.97Å; N228-R230 WeakPolarHBondContact OD1-CA 3.48Å; N228-R230 PolarHBondContact OD1-N 3.31Å; N228-D231 PolarHBondContact N-OD2 2.77Å; N228-D231 PolarHBondContact OD1-N 3.08Å; N228-D231 PolarHBondContact OD1-OD2 3.49Å
229	G	79.8	Confident	86	Confident	10 Å²	10	45.8 Å²	45.8	10%	0.103	25%	0.252	C	S	.	.	S	Bend	trans	80.5	-5.2	-177.7	0	0	0	0	0	115.1	S227	S227-G229 WeakPolarHBondContact OG-CA 3.41Å; S227-G229 PolarHBondContact OG-N 3.47Å
230	R	75.9	Confident	85.5	Confident	51 Å²	51	46 Å²	46	19%	0.192	26%	0.256	C	S	.	.	S	Bend	trans	-132.1	-14.8	-173.9	-60.2	-177.8	-68.5	-80.5	-4.8	114.6	F28 I33 V36 Y173 N228	F28-R230 HydrophobicContact CZ-CG 4.47Å; I33-R230 HydrophobicContact CG1-CG 4.43Å; I33-R230 HydrophobicContact CG2-CG 4.37Å; V36-R230 VanDerWaalsContact CG2-NH2 3.28Å; Y173-R230 HydrophobicContact CD2-CB 3.52Å; Y173-R230 WeakPolarHBondContact CD2-O 3.03Å; Y173-R230 HydrophobicContact CE2-CB 3.54Å; N228-R230 VanDerWaalsContact C-N 3.27Å; N228-R230 PolarHBondContact O-N 2.97Å; N228-R230 WeakPolarHBondContact OD1-CA 3.48Å; N228-R230 PolarHBondContact OD1-N 3.31Å
231	D	81.2	Confident	84.9	Confident	0 Å²	0	50.6 Å²	50.6	0%	0	28%	0.28	C	S	.	.	S	Bend	trans	-65.6	-166	175.2	58.8	34.6	0	0	0	112.8	E55 Y173 F199 S227 N228 H233 S234	E55-D231 WeakPolarHBondContact OE1-CB 3.26Å; Y173-D231 WeakPolarHBondContact OH-CB 3.44Å; F199-D231 HydrophobicContact CB-CB 4.4Å; F199-D231 HydrophobicContact CD1-CB 4.26Å; S227-D231 WeakPolarHBondContact CA-OD2 3.36Å; S227-D231 PolarHBondContact OG-OD1 2.96Å; S227-D231 PolarHBondContact OG-OD2 2.91Å; S227-D231 VanDerWaalsContact OG-OD2 3.05Å; N228-D231 PolarHBondContact N-OD2 2.77Å; N228-D231 PolarHBondContact OD1-N 3.08Å; N228-D231 PolarHBondContact OD1-OD2 3.49Å; D231-H233 PolarHBondContact O-N 3.38Å; D231-H233 VanDerWaalsContact O-N 3.12Å; D231-H233 WeakPolarHBondContact OD1-CA 3.37Å; D231-H233 WeakPolarHBondContact OD1-CB 3.5Å; D231-H233 PolarHBondContact OD1-N 3.01Å; D231-S234 WeakPolarHBondContact O-CB 3.46Å; D231-S234 PolarHBondContact O-N 3.48Å; D231-S234 PolarHBondContact O-OG 2.64Å
232	T	81.6	Confident	84.5	Confident	64 Å²	64	46.9 Å²	46.9	39%	0.393	25%	0.254	S	S	.	.	T	Hydrogen-bonded Turn	trans	-59.1	-20.8	178.6	57.3	0	0	0	0	113.6	F199	F199-T232 WeakPolarHBondContact CD2-OG1 3.34Å; F199-T232 WeakPolarHBondContact CG-OG1 3.43Å
233	H	83.3	Confident	83.7	Confident	53 Å²	53	44 Å²	44	25%	0.245	24%	0.239	C	C	.	.	T	Hydrogen-bonded Turn	trans	-88.1	-2.8	174.7	-65.3	165.3	0	0	0	114.1	F199 L225 C226 D231 K235 A236 W237	F199-H233 PolarHBondContact O-CE1 3.46Å; L225-H233 HydrophobicContact CD1-CB 3.81Å; L225-H233 HydrophobicContact CD2-CB 4.21Å; C226-H233 PolarHBondContact O-ND1 3.48Å; D231-H233 PolarHBondContact O-N 3.38Å; D231-H233 VanDerWaalsContact O-N 3.12Å; D231-H233 WeakPolarHBondContact OD1-CA 3.37Å; D231-H233 WeakPolarHBondContact OD1-CB 3.5Å; D231-H233 PolarHBondContact OD1-N 3.01Å; H233-K235 VanDerWaalsContact C-N 3.26Å; H233-K235 PolarHBondContact O-N 2.9Å; H233-K235 VanDerWaalsContact O-N 3.08Å; H233-A236 PolarHBondContact O-N 3.48Å; H233-W237 WeakPolarHBondContact O-CB 3.22Å; H233-W237 PolarHBondContact O-N 3.44Å
234	S	77.8	Confident	82.2	Confident	12 Å²	12	52.5 Å²	52.5	8%	0.084	27%	0.27	C	S	.	.	H	α-helix	trans	-46.3	-42.9	-178	49.4	0	0	0	0	114.4	D231 W237 M238	D231-S234 WeakPolarHBondContact O-CB 3.46Å; D231-S234 PolarHBondContact O-N 3.48Å; D231-S234 PolarHBondContact O-OG 2.64Å; S234-W237 WeakPolarHBondContact O-CB 3.39Å; S234-W237 PolarHBondContact O-N 2.92Å; S234-M238 VanDerWaalsContact O-CG 3.28Å; S234-M238 WeakPolarHBondContact O-CG 3.49Å; S234-M238 PolarHBondContact O-N 3.47Å; S234-M238 VanDerWaalsContact O-N 3.07Å
235	K	76.5	Confident	79.7	Confident	154 Å²	154	54.3 Å²	54.3	67%	0.67	28%	0.28	S	S	*	.	H	α-helix	trans	-63.2	-46.8	176.6	-175.9	-179.2	177.8	-175	0	112.5	H233 M238 I239	H233-K235 VanDerWaalsContact C-N 3.26Å; H233-K235 PolarHBondContact O-N 2.9Å; H233-K235 VanDerWaalsContact O-N 3.08Å; K235-M238 PolarHBondContact O-N 2.88Å; K235-I239 HydrophobicContact CG-CD1 4.03Å; K235-I239 WeakPolarHBondContact O-CG1 3.38Å; K235-I239 PolarHBondContact O-N 3.21Å; K235-I239 VanDerWaalsContact O-N 3.14Å
236	A	84.1	Confident	77.4	Confident	34 Å²	34	56.7 Å²	56.7	28%	0.281	29%	0.292	S	S	.	.	H	α-helix	trans	-69.4	-37.6	179.4	0	0	0	0	0	111.3	L225 H233 M238 I239 N240	L225-A236 HydrophobicContact CD2-CB 3.59Å; H233-A236 PolarHBondContact O-N 3.48Å; A236-M238 VanDerWaalsContact C-N 3.28Å; A236-M238 PolarHBondContact O-N 2.8Å; A236-I239 PolarHBondContact O-N 3.41Å; A236-N240 WeakPolarHBondContact O-CB 3.46Å; A236-N240 PolarHBondContact O-N 2.82Å; A236-N240 PolarHBondContact O-ND2 3.33Å
237	W	83	Confident	74.5	Confident	12 Å²	12	61.9 Å²	61.9	5%	0.045	33%	0.329	C	S	.	.	H	α-helix	trans	-53.8	-44.7	173	-174.6	-91.6	0	0	0	111.9	H218 C220 L225 S227 H233 S234 C242 S243	H218-W237 HydrophobicContact CB-CH2 3.31Å; H218-W237 HydrophobicContact CB-CZ2 3.91Å; H218-W237 HydrophobicContact CB-CZ3 4.17Å; H218-W237 VanDerWaalsContact O-CZ3 3.22Å; H218-W237 WeakPolarHBondContact O-CZ3 3.13Å; C220-W237 HydrophobicContact CB-CE3 3.85Å; C220-W237 HydrophobicContact CB-CH2 4.19Å; C220-W237 HydrophobicContact CB-CZ3 3.53Å; L225-W237 HydrophobicContact CD1-CE3 3.88Å; L225-W237 HydrophobicContact CD1-CZ3 4.42Å; S227-W237 VanDerWaalsContact CB-CE3 3.43Å; H233-W237 WeakPolarHBondContact O-CB 3.22Å; H233-W237 PolarHBondContact O-N 3.44Å; S234-W237 WeakPolarHBondContact O-CB 3.39Å; S234-W237 PolarHBondContact O-N 2.92Å; W237-C242 HydrophobicContact CD2-CB 3.36Å; W237-C242 HydrophobicContact CE3-CB 3.62Å; W237-C242 HydrophobicContact CG-CB 3.87Å; W237-C242 HydrophobicContact CH2-CB 3.74Å; W237-C242 HydrophobicContact CZ2-CB 3.53Å; W237-C242 HydrophobicContact CZ3-CB 3.84Å; W237-C242 WeakPolarHBondContact O-CB 3.33Å; W237-C242 PolarHBondContact O-N 3.29Å; W237-C242 VanDerWaalsContact O-N 3.15Å; W237-C242 PolarHBondContact O-SG 3.02Å; W237-S243 PolarHBondContact NE1-OG 3.36Å
238	M	76.9	Confident	71.7	Confident	42 Å²	42	68.9 Å²	68.9	21%	0.207	37%	0.366	C	S	.	.	H	α-helix	trans	-71.4	-49.5	178.6	-69.4	171.6	58.3	0	0	113.6	C26 F28 S234 K235 A236 N240 N241	C26-M238 WeakPolarHBondContact O-CE 3.36Å; F28-M238 HydrophobicContact CB-CE 3.49Å; F28-M238 VanDerWaalsContact CB-CE 3.49Å; F28-M238 HydrophobicContact CB-SD 3.53Å; F28-M238 VanDerWaalsContact CB-SD 3.53Å; F28-M238 HydrophobicContact CD1-SD 4.38Å; F28-M238 HydrophobicContact CD2-CE 4.22Å; F28-M238 HydrophobicContact CD2-CG 4.19Å; F28-M238 HydrophobicContact CD2-SD 3.53Å; F28-M238 VanDerWaalsContact CD2-SD 3.53Å; F28-M238 HydrophobicContact CE2-SD 4.27Å; F28-M238 HydrophobicContact CG-CE 4.2Å; F28-M238 HydrophobicContact CG-SD 3.61Å; S234-M238 VanDerWaalsContact O-CG 3.28Å; S234-M238 WeakPolarHBondContact O-CG 3.49Å; S234-M238 PolarHBondContact O-N 3.47Å; S234-M238 VanDerWaalsContact O-N 3.07Å; K235-M238 PolarHBondContact O-N 2.88Å; A236-M238 VanDerWaalsContact C-N 3.28Å; A236-M238 PolarHBondContact O-N 2.8Å; M238-N240 PolarHBondContact O-N 2.93Å; M238-N241 PolarHBondContact O-N 2.85Å
239	I	81.3	Confident	69.6	Low	107 Å²	107	74.5 Å²	74.5	55%	0.549	40%	0.404	S	S	.	.	H	α-helix	trans	-55.4	-30.4	-178	-72.3	168.9	0	0	0	111.3	K235 A236	K235-I239 HydrophobicContact CG-CD1 4.03Å; K235-I239 WeakPolarHBondContact O-CG1 3.38Å; K235-I239 PolarHBondContact O-N 3.21Å; K235-I239 VanDerWaalsContact O-N 3.14Å; A236-I239 PolarHBondContact O-N 3.41Å
240	N	85.2	Confident	69.1	Low	47 Å²	47	77.7 Å²	77.7	25%	0.251	42%	0.419	S	S	.	.	T	Hydrogen-bonded Turn	trans	-97.9	11.2	-177.7	-69.9	-80.8	0	0	0	114.1	T222 A223 A236 M238 C242	T222-N240 HydrophobicContact CG2-CB 4.08Å; A223-N240 HydrophobicContact CB-CB 3.75Å; A236-N240 WeakPolarHBondContact O-CB 3.46Å; A236-N240 PolarHBondContact O-N 2.82Å; A236-N240 PolarHBondContact O-ND2 3.33Å; M238-N240 PolarHBondContact O-N 2.93Å; N240-C242 PolarHBondContact O-N 2.09Å
241	N	81.9	Confident	68.7	Low	102 Å²	102	79.1 Å²	79.1	55%	0.545	43%	0.431	S	S	.	.	T	Hydrogen-bonded Turn	trans	50	41.5	178.3	-67.2	-33.4	0	0	0	113.4	C26 M238 S243	C26-N241 PolarHBondContact SG-OD1 3.3Å; C26-N241 VanDerWaalsContact SG-OD1 3.38Å; M238-N241 PolarHBondContact O-N 2.85Å; N241-S243 PolarHBondContact O-N 3.38Å
242	C	84.9	Confident	68	Low	18 Å²	18	83.5 Å²	83.5	12%	0.122	46%	0.455	C	S	.	.			trans	-69.7	-21.5	-174.5	-55.1	0	0	0	0	112.9	C220 W237 N240 K244	C220-C242 HydrophobicContact CB-CB 3.54Å; C220-C242 WeakPolarHBondContact CB-SG 3.05Å; C220-C242 WeakPolarHBondContact SG-CB 3.16Å; C220-C242 CovalentContact SG-SG 2Å; C220-C242 PolarHBondContact SG-SG 3.02Å; W237-C242 HydrophobicContact CD2-CB 3.36Å; W237-C242 HydrophobicContact CE3-CB 3.62Å; W237-C242 HydrophobicContact CG-CB 3.87Å; W237-C242 HydrophobicContact CH2-CB 3.74Å; W237-C242 HydrophobicContact CZ2-CB 3.53Å; W237-C242 HydrophobicContact CZ3-CB 3.84Å; W237-C242 WeakPolarHBondContact O-CB 3.33Å; W237-C242 PolarHBondContact O-N 3.29Å; W237-C242 VanDerWaalsContact O-N 3.15Å; W237-C242 PolarHBondContact O-SG 3.02Å; N240-C242 PolarHBondContact O-N 2.09Å; C242-K244 PolarHBondContact O-N 3.18Å; C242-K244 VanDerWaalsContact O-N 3.13Å
243	S	76.3	Confident	67.2	Low	47 Å²	47	84.6 Å²	84.6	33%	0.329	46%	0.459	S	S	.	.			trans	-78.5	89.6	175.6	-59.8	0	0	0	0	111.3	W237 N241 N245 I246	W237-S243 PolarHBondContact NE1-OG 3.36Å; N241-S243 PolarHBondContact O-N 3.38Å; S243-N245 PolarHBondContact O-N 3.13Å; S243-I246 PolarHBondContact O-N 3.27Å
244	K	59.1	Low	66.2	Low	203 Å²	203	86.6 Å²	86.6	88%	0.883	47%	0.472	S	S	*	.	T	Hydrogen-bonded Turn	trans	-56.6	-20.5	177.2	-70.5	-175.9	178.6	177	0	114.7	C242	C242-K244 PolarHBondContact O-N 3.18Å; C242-K244 VanDerWaalsContact O-N 3.13Å
245	N	43	Very low	65.4	Low	157 Å²	157	91.6 Å²	91.6	84%	0.84	50%	0.498	S	S	*	.	T	Hydrogen-bonded Turn	trans	-114.4	14.3	-172.1	-76.4	-17.2	0	0	0	115.4	S243 S247	S243-N245 PolarHBondContact O-N 3.13Å; N245-S247 PolarHBondContact O-N 3.46Å
246	I	44.8	Very low	64.6	Low	72 Å²	72	87.1 Å²	87.1	37%	0.369	49%	0.486	S	S	.	.			trans	-89.3	87.6	163.5	-58.8	171.7	0	0	0	106	S243 N248 C249	S243-I246 PolarHBondContact O-N 3.27Å; I246-N248 PolarHBondContact O-N 2.84Å; I246-C249 PolarHBondContact O-N 3.31Å
247	S	33.9	Very low	63.2	Low	109 Å²	109	91.2 Å²	91.2	76%	0.762	50%	0.501	S	S	*	.			trans	-67.8	21.9	177.4	59.6	0	0	0	0	114	N245	N245-S247 PolarHBondContact O-N 3.46Å
248	N	31.2	Very low	61.5	Low	147 Å²	147	97.8 Å²	97.8	79%	0.786	54%	0.539	S	S	*	.			trans	-135.7	51.6	173.9	-75.7	-22	0	0	0	109.7	I246	I246-N248 PolarHBondContact O-N 2.84Å
249	C	39.6	Very low	60.1	Low	123 Å²	123	102.9 Å²	102.9	83%	0.831	57%	0.57	S	S	*	*			trans	-124.2	0	133.4	-71.9	0	0	0	0	104.9	C26 I246	C26-C249 WeakPolarHBondContact CB-SG 3.41Å; C26-C249 WeakPolarHBondContact SG-CB 3.34Å; C26-C249 CovalentContact SG-SG 2.09Å; C26-C249 PolarHBondContact SG-SG 3.42Å; I246-C249 PolarHBondContact O-N 3.31Å

Retrieved 249 of 249 residues in 241.1 ms (Link to these results)

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