A0AA82N7U9_SCHMA Loading...

Egg protein CP391S-like protein AlphaSync

AlphaFold DB , UniProt , Accession A0AA82N7U9, Species SCHMA (Schistosoma mansoni, Blood fluke), Gene n/a, Length 277 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	40.5	Very low	53.3	Low	205 Å²	205	129.1 Å²	129.1	100%	1.01	64%	0.635	S	S	*	*				0	100	0	-149.2	171.4	-173.7	0	0	107.2	Y3	M1-Y3 HydrophobicContact CG-CE2 4.13Å; M1-Y3 PolarHBondContact O-N 3.41Å; M1-Y3 HydrophobicContact SD-CE2 3.93Å
2	R	48.8	Very low	53.3	Low	244 Å²	244	127.1 Å²	127.1	92%	0.921	63%	0.627	S	S	*	*			trans	-85	103.4	177.3	-71.5	-176.4	-180	179.9	0.3	107	N4	R2-N4 PolarHBondContact O-N 3.18Å
3	Y	53.9	Low	53.5	Low	186 Å²	186	122.4 Å²	122.4	73%	0.729	61%	0.605	S	S	*	*			trans	-73.1	106.8	172.9	-87.7	-88.4	0	0	0	108.4	M1 V5	M1-Y3 HydrophobicContact CG-CE2 4.13Å; M1-Y3 PolarHBondContact O-N 3.41Å; M1-Y3 HydrophobicContact SD-CE2 3.93Å; Y3-V5 PolarHBondContact O-N 3.21Å
4	N	51.3	Low	53.6	Low	157 Å²	157	124.1 Å²	124.1	84%	0.84	60%	0.603	S	S	*	*			trans	-73.4	100.9	167.6	-78.9	-22.3	0	0	0	107.7	R2 S6	R2-N4 PolarHBondContact O-N 3.18Å; N4-S6 PolarHBondContact O-N 2.94Å
5	V	52.1	Low	53.3	Low	75 Å²	75	123.3 Å²	123.3	46%	0.455	60%	0.602	S	S	.	*			trans	-71.2	115.7	172	-176.4	0	0	0	0	107.6	Y3 L9	Y3-V5 PolarHBondContact O-N 3.21Å; V5-L9 HydrophobicContact CG1-CB 3.75Å; V5-L9 HydrophobicContact CG1-CD1 4.42Å
6	S	57.3	Low	53.4	Low	54 Å²	54	122.2 Å²	122.2	38%	0.378	60%	0.598	S	S	.	*			trans	-53.5	139.8	178.7	172.4	0	0	0	0	111.4	N4 S8 L9	N4-S6 PolarHBondContact O-N 2.94Å; S6-S8 PolarHBondContact O-N 2.99Å; S6-S8 PolarHBondContact OG-N 3.48Å; S6-S8 PolarHBondContact OG-OG 3.27Å; S6-L9 WeakPolarHBondContact O-CB 3.47Å; S6-L9 PolarHBondContact O-N 3.26Å
7	P	60.9	Low	53.1	Low	99 Å²	99	122 Å²	122	64%	0.643	59%	0.594	S	S	*	*	H	α-helix	trans	-52.6	-28.8	177	-25.6	33.2	0	0	0	114.3	L9 W10 I11	P7-L9 VanDerWaalsContact C-N 3.32Å; P7-L9 PolarHBondContact O-N 3.33Å; P7-W10 PolarHBondContact O-N 3.24Å; P7-I11 PolarHBondContact O-N 3.43Å
8	S	59	Low	52.8	Low	68 Å²	68	120.1 Å²	120.1	48%	0.476	59%	0.59	S	S	.	*	H	α-helix	trans	-65.2	-32	177.6	58.6	0	0	0	0	113.5	S6 L12	S6-S8 PolarHBondContact O-N 2.99Å; S6-S8 PolarHBondContact OG-N 3.48Å; S6-S8 PolarHBondContact OG-OG 3.27Å; S8-L12 PolarHBondContact O-N 3.05Å
9	L	53.1	Low	52.2	Low	90 Å²	90	124 Å²	124	47%	0.471	60%	0.598	S	S	.	*	H	α-helix	trans	-69.4	-35.5	175.4	-95.8	124.5	0	0	0	111.6	V5 S6 P7 L12 I13	V5-L9 HydrophobicContact CG1-CB 3.75Å; V5-L9 HydrophobicContact CG1-CD1 4.42Å; S6-L9 WeakPolarHBondContact O-CB 3.47Å; S6-L9 PolarHBondContact O-N 3.26Å; P7-L9 VanDerWaalsContact C-N 3.32Å; P7-L9 PolarHBondContact O-N 3.33Å; L9-L12 PolarHBondContact O-N 2.89Å; L9-I13 WeakPolarHBondContact O-CB 3.16Å; L9-I13 WeakPolarHBondContact O-CD1 3.17Å; L9-I13 WeakPolarHBondContact O-CG1 3.43Å; L9-I13 PolarHBondContact O-N 2.85Å
10	W	52.6	Low	51.5	Low	136 Å²	136	120.7 Å²	120.7	52%	0.515	59%	0.587	S	S	.	*	H	α-helix	trans	-63.7	-44.5	176.2	-72.6	94.7	0	0	0	111.4	P7 L12 I13 Y14	P7-W10 PolarHBondContact O-N 3.24Å; W10-L12 PolarHBondContact O-N 3.3Å; W10-I13 PolarHBondContact O-N 3.39Å; W10-Y14 HydrophobicContact CB-CD2 4.46Å; W10-Y14 HydrophobicContact CB-CE2 4.43Å; W10-Y14 AromaticContact CE3-CE2 3.98Å; W10-Y14 HydrophobicContact CE3-CE2 3.98Å; W10-Y14 WeakPolarHBondContact O-CD2 3.39Å; W10-Y14 PolarHBondContact O-N 3.25Å
11	I	57.1	Low	51.2	Low	106 Å²	106	122.4 Å²	122.4	54%	0.544	59%	0.588	S	S	.	*	H	α-helix	trans	-62.1	-42.8	178.6	-61.7	169.1	0	0	0	111.2	P7 Y14 L15	P7-I11 PolarHBondContact O-N 3.43Å; I11-Y14 PolarHBondContact O-N 2.93Å; I11-L15 HydrophobicContact CG2-CD1 4.03Å; I11-L15 WeakPolarHBondContact O-CB 3.39Å; I11-L15 WeakPolarHBondContact O-CG 3.04Å; I11-L15 PolarHBondContact O-N 3.44Å
12	L	52.6	Low	51.3	Low	105 Å²	105	121.2 Å²	121.2	55%	0.55	58%	0.577	S	S	.	*	H	α-helix	trans	-63.2	-43.9	175.4	-103.6	143.1	0	0	0	112	S8 L9 W10 L15 I16	S8-L12 PolarHBondContact O-N 3.05Å; L9-L12 PolarHBondContact O-N 2.89Å; W10-L12 PolarHBondContact O-N 3.3Å; L12-L15 PolarHBondContact O-N 3.34Å; L12-I16 HydrophobicContact CD2-CD1 4.28Å; L12-I16 WeakPolarHBondContact O-CB 3.33Å; L12-I16 WeakPolarHBondContact O-CD1 3.12Å; L12-I16 WeakPolarHBondContact O-CG1 2.78Å; L12-I16 PolarHBondContact O-N 3.42Å
13	I	57.1	Low	51	Low	66 Å²	66	118.7 Å²	118.7	34%	0.338	57%	0.568	S	S	.	*	H	α-helix	trans	-61.8	-45.2	176.1	-71.7	165.8	0	0	0	110.5	L9 W10 L15 I16 F17	L9-I13 WeakPolarHBondContact O-CB 3.16Å; L9-I13 WeakPolarHBondContact O-CD1 3.17Å; L9-I13 WeakPolarHBondContact O-CG1 3.43Å; L9-I13 PolarHBondContact O-N 2.85Å; W10-I13 PolarHBondContact O-N 3.39Å; I13-L15 PolarHBondContact O-N 3.43Å; I13-I16 PolarHBondContact O-N 3.06Å; I13-F17 HydrophobicContact CG2-CD2 3.49Å; I13-F17 VanDerWaalsContact CG2-CD2 3.49Å; I13-F17 HydrophobicContact CG2-CE2 3.44Å; I13-F17 VanDerWaalsContact CG2-CE2 3.44Å; I13-F17 WeakPolarHBondContact O-CD2 3.22Å; I13-F17 PolarHBondContact O-N 3.46Å
14	Y	55	Low	50.4	Low	147 Å²	147	113.6 Å²	113.6	58%	0.576	55%	0.553	S	S	*	*	H	α-helix	trans	-63.2	-41.2	176.2	-80.3	-69.6	0	0	0	112.5	W10 I11 F17 V18	W10-Y14 HydrophobicContact CB-CD2 4.46Å; W10-Y14 HydrophobicContact CB-CE2 4.43Å; W10-Y14 AromaticContact CE3-CE2 3.98Å; W10-Y14 HydrophobicContact CE3-CE2 3.98Å; W10-Y14 WeakPolarHBondContact O-CD2 3.39Å; W10-Y14 PolarHBondContact O-N 3.25Å; I11-Y14 PolarHBondContact O-N 2.93Å; Y14-F17 PolarHBondContact O-N 2.92Å; Y14-V18 WeakPolarHBondContact O-CB 3.49Å; Y14-V18 WeakPolarHBondContact O-CG2 3.24Å; Y14-V18 PolarHBondContact O-N 3.43Å
15	L	48.6	Very low	50.5	Low	111 Å²	111	107.6 Å²	107.6	58%	0.581	52%	0.521	S	S	*	.	H	α-helix	trans	-65.2	-40.6	175.5	-75.8	166.5	0	0	0	111.9	I11 L12 I13 F17 W19	I11-L15 HydrophobicContact CG2-CD1 4.03Å; I11-L15 WeakPolarHBondContact O-CB 3.39Å; I11-L15 WeakPolarHBondContact O-CG 3.04Å; I11-L15 PolarHBondContact O-N 3.44Å; L12-L15 PolarHBondContact O-N 3.34Å; I13-L15 PolarHBondContact O-N 3.43Å; L15-F17 VanDerWaalsContact C-N 3.3Å; L15-F17 PolarHBondContact O-N 3.31Å; L15-W19 VanDerWaalsContact O-CB 3.22Å; L15-W19 WeakPolarHBondContact O-CB 3.36Å; L15-W19 PolarHBondContact O-N 2.9Å
16	I	55.2	Low	50.7	Low	106 Å²	106	106.2 Å²	106.2	54%	0.544	51%	0.513	S	S	.	.	H	α-helix	trans	-67.9	-28.9	176.2	-67.6	164.8	0	0	0	111.7	L12 I13 P20	L12-I16 HydrophobicContact CD2-CD1 4.28Å; L12-I16 WeakPolarHBondContact O-CB 3.33Å; L12-I16 WeakPolarHBondContact O-CD1 3.12Å; L12-I16 WeakPolarHBondContact O-CG1 2.78Å; L12-I16 PolarHBondContact O-N 3.42Å; I13-I16 PolarHBondContact O-N 3.06Å; I16-P20 WeakPolarHBondContact O-CD 2.99Å; I16-P20 WeakPolarHBondContact O-CG 3.19Å
17	F	48.5	Very low	50.8	Low	119 Å²	119	105.5 Å²	105.5	52%	0.522	51%	0.505	S	S	.	.	H	α-helix	trans	-82.9	-44.1	174.4	-79.5	-66.2	0	0	0	112.3	I13 Y14 L15 W19 P20 Y21	I13-F17 HydrophobicContact CG2-CD2 3.49Å; I13-F17 VanDerWaalsContact CG2-CD2 3.49Å; I13-F17 HydrophobicContact CG2-CE2 3.44Å; I13-F17 VanDerWaalsContact CG2-CE2 3.44Å; I13-F17 WeakPolarHBondContact O-CD2 3.22Å; I13-F17 PolarHBondContact O-N 3.46Å; Y14-F17 PolarHBondContact O-N 2.92Å; L15-F17 VanDerWaalsContact C-N 3.3Å; L15-F17 PolarHBondContact O-N 3.31Å; F17-W19 PolarHBondContact O-N 3.42Å; F17-P20 VanDerWaalsContact O-CD 3.24Å; F17-P20 WeakPolarHBondContact O-CD 2.96Å; F17-P20 WeakPolarHBondContact O-CG 3.35Å; F17-Y21 WeakPolarHBondContact O-CD2 3.4Å; F17-Y21 PolarHBondContact O-N 3.49Å
18	V	46.9	Very low	51.5	Low	87 Å²	87	104.9 Å²	104.9	53%	0.527	50%	0.497	S	S	.	.	H	α-helix	trans	-69	-33.4	-176.8	175	0	0	0	0	112.4	Y14 Y21 K22	Y14-V18 WeakPolarHBondContact O-CB 3.49Å; Y14-V18 WeakPolarHBondContact O-CG2 3.24Å; Y14-V18 PolarHBondContact O-N 3.43Å; V18-Y21 PolarHBondContact O-N 3.5Å; V18-K22 PolarHBondContact O-N 3.43Å
19	W	42.3	Very low	52.5	Low	195 Å²	195	101.8 Å²	101.8	74%	0.739	48%	0.475	S	S	*	.	H	α-helix	trans	-66.6	-46.3	-178.8	-161.9	3.2	0	0	0	114.6	L15 F17 Y21 K22	L15-W19 VanDerWaalsContact O-CB 3.22Å; L15-W19 WeakPolarHBondContact O-CB 3.36Å; L15-W19 PolarHBondContact O-N 2.9Å; F17-W19 PolarHBondContact O-N 3.42Å; W19-Y21 VanDerWaalsContact C-N 3.34Å; W19-Y21 PolarHBondContact O-N 3.41Å; W19-K22 PolarHBondContact O-N 2.83Å
20	P	38	Very low	53.9	Low	58 Å²	58	99.4 Å²	99.4	38%	0.377	47%	0.465	S	S	.	.	H	α-helix	trans	-68.9	-28	173.3	24.4	-31.8	0	0	0	112.9	I16 F17 K22 R23 L24	I16-P20 WeakPolarHBondContact O-CD 2.99Å; I16-P20 WeakPolarHBondContact O-CG 3.19Å; F17-P20 VanDerWaalsContact O-CD 3.24Å; F17-P20 WeakPolarHBondContact O-CD 2.96Å; F17-P20 WeakPolarHBondContact O-CG 3.35Å; P20-K22 VanDerWaalsContact C-N 3.3Å; P20-K22 PolarHBondContact O-N 3.45Å; P20-R23 CarbonylContact O-C 3.55Å; P20-R23 WeakPolarHBondContact O-CA 3.42Å; P20-R23 WeakPolarHBondContact O-CB 3.47Å; P20-R23 PolarHBondContact O-N 2.8Å; P20-L24 WeakPolarHBondContact O-CG 3.28Å; P20-L24 PolarHBondContact O-N 3.46Å
21	Y	44.9	Very low	55.4	Low	156 Å²	156	100.1 Å²	100.1	61%	0.612	47%	0.472	S	S	*	.	H	α-helix	trans	-61.2	-36.1	174.6	-82.3	-65.8	0	0	0	113	F17 V18 W19 R23 L24	F17-Y21 WeakPolarHBondContact O-CD2 3.4Å; F17-Y21 PolarHBondContact O-N 3.49Å; V18-Y21 PolarHBondContact O-N 3.5Å; W19-Y21 VanDerWaalsContact C-N 3.34Å; W19-Y21 PolarHBondContact O-N 3.41Å; Y21-R23 VanDerWaalsContact C-N 3.28Å; Y21-R23 PolarHBondContact O-N 3.37Å; Y21-L24 HydrophobicContact CD1-CD1 3.72Å; Y21-L24 HydrophobicContact CE1-CD1 4.01Å; Y21-L24 HydrophobicContact CG-CD1 4.41Å; Y21-L24 PolarHBondContact O-N 3.05Å
22	K	43.1	Very low	56.5	Low	180 Å²	180	98.1 Å²	98.1	78%	0.783	46%	0.462	S	S	*	.	H	α-helix	trans	-66.4	-27	171.1	-85.2	-172.5	177.1	179.4	0	113.7	V18 W19 P20	V18-K22 PolarHBondContact O-N 3.43Å; W19-K22 PolarHBondContact O-N 2.83Å; P20-K22 VanDerWaalsContact C-N 3.3Å; P20-K22 PolarHBondContact O-N 3.45Å
23	R	41.9	Very low	57.7	Low	192 Å²	192	96.9 Å²	96.9	73%	0.725	46%	0.462	S	S	*	.	H	α-helix	trans	-78.4	-21.4	173.8	-82.8	-171.2	174.5	-169.7	-0.5	113.1	P20 Y21 N25	P20-R23 CarbonylContact O-C 3.55Å; P20-R23 WeakPolarHBondContact O-CA 3.42Å; P20-R23 WeakPolarHBondContact O-CB 3.47Å; P20-R23 PolarHBondContact O-N 2.8Å; Y21-R23 VanDerWaalsContact C-N 3.28Å; Y21-R23 PolarHBondContact O-N 3.37Å; R23-N25 PolarHBondContact O-N 3.49Å
24	L	41.1	Very low	58.7	Low	79 Å²	79	99.4 Å²	99.4	41%	0.414	48%	0.477	S	S	.	.	H	α-helix	trans	-73.1	-25.2	-169.5	-82.6	165.7	0	0	0	115	P20 Y21 N27	P20-L24 WeakPolarHBondContact O-CG 3.28Å; P20-L24 PolarHBondContact O-N 3.46Å; Y21-L24 HydrophobicContact CD1-CD1 3.72Å; Y21-L24 HydrophobicContact CE1-CD1 4.01Å; Y21-L24 HydrophobicContact CG-CD1 4.41Å; Y21-L24 PolarHBondContact O-N 3.05Å; L24-N27 WeakPolarHBondContact O-CB 3.46Å; L24-N27 PolarHBondContact O-N 3.06Å
25	N	52.8	Low	60	Low	31 Å²	31	94 Å²	94	17%	0.166	46%	0.458	C	S	.	.	H	α-helix	trans	-78.9	-24.3	-176.9	-77.1	-13.1	0	0	0	114.7	R23 N27 Y54 Q228	R23-N25 PolarHBondContact O-N 3.49Å; N25-N27 VanDerWaalsContact C-N 3.27Å; N25-Y54 PolarHBondContact O-OH 2.93Å; N25-Q228 PolarHBondContact ND2-NE2 3.22Å; N25-Q228 PolarHBondContact OD1-NE2 2.96Å
26	C	56.8	Low	61.3	Low	45 Å²	45	94.4 Å²	94.4	30%	0.304	45%	0.451	S	S	.	.	H	α-helix	trans	-69.8	-30.6	171.7	-66.1	0	0	0	0	111	D28 Y29 C30 I193	C26-D28 VanDerWaalsContact C-N 3.29Å; C26-D28 PolarHBondContact O-N 2.89Å; C26-Y29 PolarHBondContact O-N 3.4Å; C26-C30 WeakPolarHBondContact O-CB 3.2Å; C26-C30 PolarHBondContact O-N 3.35Å; C26-C30 PolarHBondContact O-SG 3.36Å; C26-I193 HydrophobicContact CB-CG2 4.47Å
27	N	59.7	Low	62.5	Low	39 Å²	39	97.4 Å²	97.4	21%	0.209	46%	0.463	C	S	.	.	H	α-helix	trans	-62	-35.6	-178	-82	2.9	0	0	0	112.7	L24 N25 C30 K31	L24-N27 WeakPolarHBondContact O-CB 3.46Å; L24-N27 PolarHBondContact O-N 3.06Å; N25-N27 VanDerWaalsContact C-N 3.27Å; N27-C30 PolarHBondContact O-N 2.02Å; N27-K31 HydrophobicContact CB-CD 4.33Å; N27-K31 WeakPolarHBondContact O-CB 3.44Å; N27-K31 WeakPolarHBondContact O-CD 2.98Å; N27-K31 WeakPolarHBondContact O-CG 3.41Å; N27-K31 PolarHBondContact O-N 3.32Å
28	D	75.3	Confident	64.3	Low	87 Å²	87	95.8 Å²	95.8	47%	0.465	45%	0.454	S	S	.	.	H	α-helix	trans	-64.4	-45.9	-179	-70.8	-11.1	0	0	0	111.4	C26 K31 N32 L35	C26-D28 VanDerWaalsContact C-N 3.29Å; C26-D28 PolarHBondContact O-N 2.89Å; D28-K31 PolarHBondContact O-N 2.94Å; D28-N32 VanDerWaalsContact O-CB 3.23Å; D28-N32 WeakPolarHBondContact O-CB 3.46Å; D28-N32 PolarHBondContact O-N 3.38Å; D28-L35 HydrophobicContact CB-CD1 4.4Å
29	Y	79.8	Confident	66.5	Low	3 Å²	3	95.6 Å²	95.6	1%	0.012	45%	0.447	C	S	.	.	H	α-helix	trans	-63.5	-43.6	175.1	-172.6	-90.3	0	0	0	112.2	C26 K31 L35 R36 Y54 I193 T200 K201 H202	C26-Y29 PolarHBondContact O-N 3.4Å; Y29-K31 VanDerWaalsContact C-N 3.27Å; Y29-K31 PolarHBondContact O-N 3.37Å; Y29-L35 HydrophobicContact CD2-CB 3.8Å; Y29-L35 HydrophobicContact CE2-CB 4.18Å; Y29-L35 WeakPolarHBondContact CE2-O 3Å; Y29-R36 HydrophobicContact CE1-CG 4.32Å; Y29-R36 HydrophobicContact CE2-CG 4.38Å; Y29-R36 WeakPolarHBondContact OH-CG 3.42Å; Y29-Y54 AromaticContact CD2-CD1 3.53Å; Y29-Y54 HydrophobicContact CD2-CD1 3.53Å; Y29-Y54 HydrophobicContact CD2-CD2 4.17Å; Y29-Y54 AromaticContact CD2-CE1 3.54Å; Y29-Y54 HydrophobicContact CD2-CE1 3.54Å; Y29-Y54 HydrophobicContact CD2-CE2 4.18Å; Y29-Y54 AromaticContact CD2-CG 3.86Å; Y29-Y54 HydrophobicContact CD2-CG 3.86Å; Y29-Y54 AromaticContact CD2-CZ 3.88Å; Y29-Y54 AromaticContact CE2-CD1 3.98Å; Y29-Y54 HydrophobicContact CE2-CD1 3.98Å; Y29-Y54 HydrophobicContact CE2-CE1 4.34Å; Y29-Y54 HydrophobicContact CE2-CG 4.33Å; Y29-Y54 HydrophobicContact CG-CD1 4.41Å; Y29-Y54 AromaticContact CG-CE1 3.98Å; Y29-Y54 HydrophobicContact CG-CE1 3.98Å; Y29-I193 HydrophobicContact CD1-CB 4.25Å; Y29-I193 HydrophobicContact CD1-CD1 3.51Å; Y29-I193 HydrophobicContact CD1-CG1 4.48Å; Y29-I193 HydrophobicContact CD1-CG2 4Å; Y29-I193 HydrophobicContact CD2-CD1 3.91Å; Y29-I193 HydrophobicContact CE1-CD1 3.68Å; Y29-I193 HydrophobicContact CE2-CD1 4.05Å; Y29-I193 HydrophobicContact CG-CD1 3.63Å; Y29-T200 HydrophobicContact CD1-CG2 3.87Å; Y29-T200 HydrophobicContact CE1-CG2 3.51Å; Y29-K201 PolarHBondContact OH-O 2.85Å; Y29-H202 HydrophobicContact CE2-CB 3.73Å; Y29-H202 AromaticContact CE2-CD2 3.57Å; Y29-H202 AromaticContact CE2-CG 3.91Å; Y29-H202 VanDerWaalsContact OH-CA 3.25Å; Y29-H202 WeakPolarHBondContact OH-CA 3.46Å; Y29-H202 WeakPolarHBondContact OH-CB 3.46Å
30	C	84.1	Confident	68.9	Low	40 Å²	40	88.4 Å²	88.4	27%	0.27	42%	0.423	S	S	.	.	H	α-helix	trans	-67.2	-27.8	-179.1	-62.6	0	0	0	0	113.1	C26 N27 C195	C26-C30 WeakPolarHBondContact O-CB 3.2Å; C26-C30 PolarHBondContact O-N 3.35Å; C26-C30 PolarHBondContact O-SG 3.36Å; N27-C30 PolarHBondContact O-N 2.02Å; C30-C195 VanDerWaalsContact CA-SG 3.54Å; C30-C195 HydrophobicContact CB-CB 3.65Å; C30-C195 WeakPolarHBondContact CB-SG 3.12Å; C30-C195 WeakPolarHBondContact SG-CA 3.46Å; C30-C195 WeakPolarHBondContact SG-CB 3.29Å; C30-C195 CovalentContact SG-SG 2.02Å; C30-C195 PolarHBondContact SG-SG 3.35Å
31	K	82.7	Confident	71.6	Confident	150 Å²	150	88.3 Å²	88.3	65%	0.652	42%	0.421	S	S	*	.	H	α-helix	trans	-94.3	-22.3	-178.8	-69.2	173	-176.6	-174.7	0	113.6	N27 D28 Y29	N27-K31 HydrophobicContact CB-CD 4.33Å; N27-K31 WeakPolarHBondContact O-CB 3.44Å; N27-K31 WeakPolarHBondContact O-CD 2.98Å; N27-K31 WeakPolarHBondContact O-CG 3.41Å; N27-K31 PolarHBondContact O-N 3.32Å; D28-K31 PolarHBondContact O-N 2.94Å; Y29-K31 VanDerWaalsContact C-N 3.27Å; Y29-K31 PolarHBondContact O-N 3.37Å
32	N	81.3	Confident	73.9	Confident	64 Å²	64	81.5 Å²	81.5	34%	0.342	40%	0.395	S	S	.	.			trans	-114.9	100.4	-176.2	-170.8	-8.8	0	0	0	110.8	D28 D34 L35	D28-N32 VanDerWaalsContact O-CB 3.23Å; D28-N32 WeakPolarHBondContact O-CB 3.46Å; D28-N32 PolarHBondContact O-N 3.38Å; N32-D34 PolarHBondContact O-N 3.36Å; N32-D34 VanDerWaalsContact OD1-CB 3.27Å; N32-D34 WeakPolarHBondContact OD1-CB 3.44Å; N32-D34 PolarHBondContact OD1-N 3.01Å; N32-L35 HydrophobicContact CB-CD1 4.01Å; N32-L35 HydrophobicContact CB-CG 4.03Å; N32-L35 WeakPolarHBondContact O-CB 3.23Å; N32-L35 PolarHBondContact O-N 3.05Å; N32-L35 VanDerWaalsContact O-N 3.16Å
33	S	76.8	Confident	76.4	Confident	79 Å²	79	75.3 Å²	75.3	55%	0.552	37%	0.37	S	S	*	.	G	3₁₀ helix	trans	-58.3	-27.5	176.8	50.4	0	0	0	0	113.3	L35 R36	S33-L35 PolarHBondContact O-N 2.9Å; S33-R36 WeakPolarHBondContact O-CB 3.27Å; S33-R36 WeakPolarHBondContact O-CG 3.45Å; S33-R36 PolarHBondContact O-N 3.06Å; S33-R36 VanDerWaalsContact O-N 3.1Å
34	D	78.8	Confident	78.9	Confident	119 Å²	119	69.9 Å²	69.9	64%	0.636	35%	0.353	S	S	*	.	G	3₁₀ helix	trans	-67.8	-23.9	-177.7	-56.7	-18.9	0	0	0	111.4	N32 R36 Y38	N32-D34 PolarHBondContact O-N 3.36Å; N32-D34 VanDerWaalsContact OD1-CB 3.27Å; N32-D34 WeakPolarHBondContact OD1-CB 3.44Å; N32-D34 PolarHBondContact OD1-N 3.01Å; D34-R36 PolarHBondContact O-N 3.34Å; D34-Y38 PolarHBondContact O-N 3.19Å
35	L	81.2	Confident	81.5	Confident	34 Å²	34	69.5 Å²	69.5	18%	0.178	35%	0.351	C	S	.	.	G	3₁₀ helix	trans	-70.4	-13.6	175.7	-65.2	179.9	0	0	0	113.4	D28 Y29 N32 S33 H37 Y38 Y54	D28-L35 HydrophobicContact CB-CD1 4.4Å; Y29-L35 HydrophobicContact CD2-CB 3.8Å; Y29-L35 HydrophobicContact CE2-CB 4.18Å; Y29-L35 WeakPolarHBondContact CE2-O 3Å; N32-L35 HydrophobicContact CB-CD1 4.01Å; N32-L35 HydrophobicContact CB-CG 4.03Å; N32-L35 WeakPolarHBondContact O-CB 3.23Å; N32-L35 PolarHBondContact O-N 3.05Å; N32-L35 VanDerWaalsContact O-N 3.16Å; S33-L35 PolarHBondContact O-N 2.9Å; L35-H37 VanDerWaalsContact C-N 3.35Å; L35-Y38 HydrophobicContact CD2-CG 4.45Å; L35-Y54 HydrophobicContact CB-CD2 4.31Å; L35-Y54 HydrophobicContact CD1-CD2 4.02Å; L35-Y54 HydrophobicContact CD1-CE2 4.01Å; L35-Y54 HydrophobicContact CD2-CD2 4.3Å; L35-Y54 HydrophobicContact CG-CD2 4.45Å
36	R	76.8	Confident	83.5	Confident	119 Å²	119	75.2 Å²	75.2	45%	0.449	38%	0.382	S	S	.	.	G	3₁₀ helix	trans	-68.9	-34.4	178.8	-63.1	-168.5	177.4	-179.3	0.1	113.2	Y29 S33 D34	Y29-R36 HydrophobicContact CE1-CG 4.32Å; Y29-R36 HydrophobicContact CE2-CG 4.38Å; Y29-R36 WeakPolarHBondContact OH-CG 3.42Å; S33-R36 WeakPolarHBondContact O-CB 3.27Å; S33-R36 WeakPolarHBondContact O-CG 3.45Å; S33-R36 PolarHBondContact O-N 3.06Å; S33-R36 VanDerWaalsContact O-N 3.1Å; D34-R36 PolarHBondContact O-N 3.34Å
37	H	79.8	Confident	85.4	Confident	170 Å²	170	75.3 Å²	75.3	79%	0.787	38%	0.383	S	S	*	.	S	Bend	trans	-122	20.2	-179	-56.9	-57.6	0	0	0	111.3	L35 E39	L35-H37 VanDerWaalsContact C-N 3.35Å; H37-E39 PolarHBondContact O-N 3.06Å
38	Y	86.7	Confident	87.1	Confident	85 Å²	85	74.8 Å²	74.8	33%	0.333	38%	0.379	S	S	.	.			trans	-65.7	112.1	-179.5	173.8	-95.8	0	0	0	109.5	D34 L35 N40 H53	D34-Y38 PolarHBondContact O-N 3.19Å; L35-Y38 HydrophobicContact CD2-CG 4.45Å; Y38-N40 HydrophobicContact CE1-CB 4.47Å; Y38-H53 WeakPolarHBondContact O-CA 3.28Å
39	E	92.9	Very high	88.2	Confident	83 Å²	83	71.2 Å²	71.2	39%	0.388	36%	0.359	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-132.2	125.3	170.8	178.2	175	-137.2	0	0	108.5	H37 V41 R49 L52 H53	H37-E39 PolarHBondContact O-N 3.06Å; E39-V41 HydrophobicContact CG-CG2 4.03Å; E39-R49 IonicContact OE1-CZ 3.31Å; E39-R49 IonicContact OE1-NH1 3.32Å; E39-R49 PolarHBondContact OE1-NH1 2.62Å; E39-R49 IonicContact OE1-NH2 3.91Å; E39-R49 PolarHBondContact OE1-NH2 2.74Å; E39-R49 IonicContact OE2-NH2 3.24Å; E39-R49 PolarHBondContact OE2-NH2 3.1Å; E39-L52 CarbonylContact C-O 3.48Å; E39-L52 WeakPolarHBondContact CA-O 3.3Å; E39-H53 VanDerWaalsContact CG-CE1 3.49Å; E39-H53 WeakPolarHBondContact CG-CE1 3.28Å; E39-H53 IonicContact OE1-CE1 2.62Å; E39-H53 PolarHBondContact OE1-CE1 3.4Å; E39-H53 IonicContact OE1-NE2 3.27Å
40	N	92.9	Very high	88.9	Confident	44 Å²	44	71.1 Å²	71.1	24%	0.235	36%	0.358	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-117.1	102.4	170.4	-174.5	-2.4	0	0	0	109.2	Y38 I42 S51 L52 G251	Y38-N40 HydrophobicContact CE1-CB 4.47Å; N40-I42 HydrophobicContact CB-CD1 4.45Å; N40-I42 PolarHBondContact O-N 3.27Å; N40-S51 CarbonylContact O-C 3.49Å; N40-S51 VanDerWaalsContact O-CA 3.26Å; N40-S51 WeakPolarHBondContact O-CA 3.43Å; N40-L52 HydrophobicContact CB-CB 4.41Å; N40-L52 PolarHBondContact N-O 3.33Å; N40-L52 PolarHBondContact O-N 3.5Å; N40-G251 PolarHBondContact ND2-O 2.84Å
41	V	95.1	Very high	89.5	Confident	55 Å²	55	69.2 Å²	69.2	33%	0.333	35%	0.345	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-76.9	112.8	176.5	-175.4	0	0	0	0	109.2	E39 E44 R49	E39-V41 HydrophobicContact CG-CG2 4.03Å; V41-E44 HydrophobicContact CG1-CB 3.89Å; V41-R49 HydrophobicContact CG1-CG 4.34Å
42	I	93.4	Very high	90	Very high	13 Å²	13	62.2 Å²	62.2	7%	0.067	32%	0.315	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-83.6	-42.6	-175.6	-54.3	-50.1	0	0	0	111	N40 Y50 L52 K250 D269	N40-I42 HydrophobicContact CB-CD1 4.45Å; N40-I42 PolarHBondContact O-N 3.27Å; I42-Y50 HydrophobicContact CB-CD1 3.99Å; I42-Y50 HydrophobicContact CG1-CD1 4.02Å; I42-Y50 HydrophobicContact CG1-CE1 4.39Å; I42-Y50 HydrophobicContact CG2-CD1 4.34Å; I42-Y50 PolarHBondContact N-O 2.83Å; I42-L52 HydrophobicContact CD1-CD1 3.97Å; I42-L52 HydrophobicContact CD1-CG 4.07Å; I42-L52 HydrophobicContact CG1-CD1 4.3Å; I42-L52 HydrophobicContact CG1-CG 3.97Å; I42-K250 HydrophobicContact CG2-CB 3.73Å; I42-K250 HydrophobicContact CG2-CD 4.04Å; I42-D269 VanDerWaalsContact CG2-O 3.27Å; I42-D269 WeakPolarHBondContact CG2-O 3.41Å
43	I	93.8	Very high	90.6	Very high	50 Å²	50	59.8 Å²	59.8	26%	0.256	30%	0.302	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-149.4	139.4	177.9	-179.6	166.7	0	0	0	108.6	Y48 R49 Y50	I43-Y48 HydrophobicContact CG2-CD1 3.99Å; I43-Y48 HydrophobicContact CG2-CE1 3.82Å; I43-R49 CarbonylContact O-C 3.43Å; I43-R49 WeakPolarHBondContact O-CA 3.49Å; I43-Y50 PolarHBondContact N-O 3.33Å; I43-Y50 PolarHBondContact O-N 2.77Å
44	E	95.1	Very high	91.1	Very high	78 Å²	78	57.2 Å²	57.2	36%	0.364	28%	0.28	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-146.8	129.4	173.6	-168.6	169.2	148	0	0	109.1	V41 Y48 R49 K209 W210	V41-E44 HydrophobicContact CG1-CB 3.89Å; E44-Y48 WeakPolarHBondContact CA-O 3.37Å; E44-R49 HydrophobicContact CB-CG 4.27Å; E44-R49 HydrophobicContact CG-CB 4.29Å; E44-R49 HydrophobicContact CG-CG 4.02Å; E44-R49 WeakPolarHBondContact OE2-CD 3.48Å; E44-R49 IonicContact OE2-CZ 2.78Å; E44-R49 IonicContact OE2-NE 2.71Å; E44-R49 PolarHBondContact OE2-NE 2.84Å; E44-R49 IonicContact OE2-NH2 3.83Å; E44-K209 WeakPolarHBondContact OE1-CE 3.4Å; E44-K209 IonicContact OE1-NZ 3.65Å; E44-K209 PolarHBondContact OE1-NZ 3.35Å; E44-W210 HydrophobicContact CG-CZ2 3.93Å
45	N	95.1	Very high	91.5	Very high	71 Å²	71	53.8 Å²	53.8	38%	0.38	26%	0.26	S	S	.	.			trans	-140.2	-170	167.9	65.3	44.6	0	0	0	108.7	S47 Y48 W210	N45-S47 PolarHBondContact O-N 3.16Å; N45-S47 PolarHBondContact OD1-N 3.21Å; N45-S47 PolarHBondContact OD1-OG 3.29Å; N45-Y48 PolarHBondContact N-O 3.09Å; N45-Y48 WeakPolarHBondContact OD1-CB 3.36Å; N45-Y48 PolarHBondContact OD1-N 2.95Å; N45-W210 WeakPolarHBondContact O-CH2 3.32Å; N45-W210 WeakPolarHBondContact O-CZ2 3.2Å
46	D	94.7	Very high	92	Very high	151 Å²	151	52.2 Å²	52.2	81%	0.807	25%	0.251	S	S	*	.	S	Bend	trans	-67.9	-20	-175.1	-64.6	-25	0	0	0	114.8
47	S	96.7	Very high	92.9	Very high	47 Å²	47	46.8 Å²	46.8	33%	0.329	23%	0.232	S	C	.	.	S	Bend	trans	-121.5	-10.9	-173.6	69.3	0	0	0	0	114.3	N45 R62	N45-S47 PolarHBondContact O-N 3.16Å; N45-S47 PolarHBondContact OD1-N 3.21Å; N45-S47 PolarHBondContact OD1-OG 3.29Å; S47-R62 PolarHBondContact O-N 3.19Å
48	Y	96.7	Very high	93.7	Very high	29 Å²	29	38.7 Å²	38.7	11%	0.114	19%	0.194	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-144.7	136.7	-172.2	-167.3	-94.7	0	0	0	111.9	I43 E44 N45 R59 I60 Q61 D269	I43-Y48 HydrophobicContact CG2-CD1 3.99Å; I43-Y48 HydrophobicContact CG2-CE1 3.82Å; E44-Y48 WeakPolarHBondContact CA-O 3.37Å; N45-Y48 PolarHBondContact N-O 3.09Å; N45-Y48 WeakPolarHBondContact OD1-CB 3.36Å; N45-Y48 PolarHBondContact OD1-N 2.95Å; Y48-R59 HydrophobicContact CE2-CG 3.99Å; Y48-R59 WeakPolarHBondContact OH-CD 3.34Å; Y48-R59 PolarHBondContact OH-NE 3.31Å; Y48-I60 CarbonylContact C-O 3.57Å; Y48-I60 WeakPolarHBondContact CA-O 3.38Å; Y48-Q61 HydrophobicContact CD2-CG 3.65Å; Y48-Q61 HydrophobicContact CE2-CG 3.59Å; Y48-D269 WeakPolarHBondContact CE1-OD1 3.47Å; Y48-D269 VanDerWaalsContact CZ-OD1 3.26Å; Y48-D269 PolarHBondContact OH-OD1 2.96Å; Y48-D269 PolarHBondContact OH-OD2 2.62Å
49	R	97.3	Very high	94.2	Very high	12 Å²	12	35 Å²	35	5%	0.045	18%	0.179	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-139.1	134.2	170.3	-172	-179.5	-168.5	-118.7	5.8	110	E39 V41 I43 E44 R59 I60 W210	E39-R49 IonicContact OE1-CZ 3.31Å; E39-R49 IonicContact OE1-NH1 3.32Å; E39-R49 PolarHBondContact OE1-NH1 2.62Å; E39-R49 IonicContact OE1-NH2 3.91Å; E39-R49 PolarHBondContact OE1-NH2 2.74Å; E39-R49 IonicContact OE2-NH2 3.24Å; E39-R49 PolarHBondContact OE2-NH2 3.1Å; V41-R49 HydrophobicContact CG1-CG 4.34Å; I43-R49 CarbonylContact O-C 3.43Å; I43-R49 WeakPolarHBondContact O-CA 3.49Å; E44-R49 HydrophobicContact CB-CG 4.27Å; E44-R49 HydrophobicContact CG-CB 4.29Å; E44-R49 HydrophobicContact CG-CG 4.02Å; E44-R49 WeakPolarHBondContact OE2-CD 3.48Å; E44-R49 IonicContact OE2-CZ 2.78Å; E44-R49 IonicContact OE2-NE 2.71Å; E44-R49 PolarHBondContact OE2-NE 2.84Å; E44-R49 IonicContact OE2-NH2 3.83Å; R49-R59 CarbonylContact O-C 3.53Å; R49-R59 WeakPolarHBondContact O-CA 3.25Å; R49-I60 HydrophobicContact CB-CB 4.06Å; R49-I60 HydrophobicContact CB-CD1 4.36Å; R49-I60 HydrophobicContact CB-CG1 4.3Å; R49-I60 PolarHBondContact N-O 3.15Å; R49-I60 PolarHBondContact O-N 3.32Å; R49-W210 HydrophobicContact CB-CH2 4.05Å; R49-W210 HydrophobicContact CB-CZ2 3.7Å; R49-W210 HydrophobicContact CG-CZ2 4.48Å
50	Y	96	Very high	94.4	Very high	0 Å²	0	31 Å²	31	0%	0	16%	0.161	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-129	130	169.5	-175.1	-115.9	0	0	0	109.6	I42 I43 L52 S57 M58 R59 D269	I42-Y50 HydrophobicContact CB-CD1 3.99Å; I42-Y50 HydrophobicContact CG1-CD1 4.02Å; I42-Y50 HydrophobicContact CG1-CE1 4.39Å; I42-Y50 HydrophobicContact CG2-CD1 4.34Å; I42-Y50 PolarHBondContact N-O 2.83Å; I43-Y50 PolarHBondContact N-O 3.33Å; I43-Y50 PolarHBondContact O-N 2.77Å; Y50-L52 HydrophobicContact CE1-CD2 4.04Å; Y50-S57 VanDerWaalsContact OH-CB 3.32Å; Y50-S57 WeakPolarHBondContact OH-CB 3.35Å; Y50-S57 PolarHBondContact OH-OG 3.3Å; Y50-M58 WeakPolarHBondContact CA-O 3.38Å; Y50-R59 HydrophobicContact CD2-CB 3.97Å; Y50-R59 HydrophobicContact CD2-CG 4.47Å; Y50-R59 HydrophobicContact CE2-CB 4.5Å; Y50-D269 HydrophobicContact CD1-CB 3.71Å; Y50-D269 HydrophobicContact CE1-CB 4.21Å; Y50-D269 HydrophobicContact CG-CB 4.21Å
51	S	95.8	Very high	94.7	Very high	0 Å²	0	30.8 Å²	30.8	0%	0	16%	0.158	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-141.3	148	-174.8	54	0	0	0	0	111.2	N40 H53 S57 M58	N40-S51 CarbonylContact O-C 3.49Å; N40-S51 VanDerWaalsContact O-CA 3.26Å; N40-S51 WeakPolarHBondContact O-CA 3.43Å; S51-H53 PolarHBondContact OG-NE2 2.88Å; S51-S57 CarbonylContact O-C 3.52Å; S51-S57 WeakPolarHBondContact O-CA 3.08Å; S51-M58 PolarHBondContact N-O 3Å; S51-M58 PolarHBondContact O-N 3.31Å; S51-M58 WeakPolarHBondContact OG-CE 2.92Å; S51-M58 PolarHBondContact OG-O 2.95Å
52	L	93.7	Very high	94.8	Very high	4 Å²	4	30.2 Å²	30.2	2%	0.021	15%	0.15	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-105.3	135.1	173.8	-54.6	178.4	0	0	0	109.4	E39 N40 I42 Y50 I222 A253 I255	E39-L52 CarbonylContact C-O 3.48Å; E39-L52 WeakPolarHBondContact CA-O 3.3Å; N40-L52 HydrophobicContact CB-CB 4.41Å; N40-L52 PolarHBondContact N-O 3.33Å; N40-L52 PolarHBondContact O-N 3.5Å; I42-L52 HydrophobicContact CD1-CD1 3.97Å; I42-L52 HydrophobicContact CD1-CG 4.07Å; I42-L52 HydrophobicContact CG1-CD1 4.3Å; I42-L52 HydrophobicContact CG1-CG 3.97Å; Y50-L52 HydrophobicContact CE1-CD2 4.04Å; L52-I222 HydrophobicContact CD2-CD1 4.2Å; L52-A253 HydrophobicContact CD1-CB 3.92Å; L52-I255 HydrophobicContact CD1-CD1 3.92Å; L52-I255 HydrophobicContact CD1-CG1 4.46Å; L52-I255 HydrophobicContact CD2-CD1 3.72Å; L52-I255 HydrophobicContact CD2-CG1 4.45Å; L52-I255 HydrophobicContact CG-CD1 4.45Å
53	H	93.1	Very high	95	Very high	13 Å²	13	37.6 Å²	37.6	6%	0.06	18%	0.178	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-125.3	175	179.3	-62	-93.5	0	0	0	108.8	Y38 E39 S51 K55 Y56 I204	Y38-H53 WeakPolarHBondContact O-CA 3.28Å; E39-H53 VanDerWaalsContact CG-CE1 3.49Å; E39-H53 WeakPolarHBondContact CG-CE1 3.28Å; E39-H53 IonicContact OE1-CE1 2.62Å; E39-H53 PolarHBondContact OE1-CE1 3.4Å; E39-H53 IonicContact OE1-NE2 3.27Å; S51-H53 PolarHBondContact OG-NE2 2.88Å; H53-K55 PolarHBondContact O-N 3.47Å; H53-K55 VanDerWaalsContact O-N 3.08Å; H53-Y56 CarbonylContact C-O 3.47Å; H53-Y56 WeakPolarHBondContact CA-O 3.2Å; H53-Y56 WeakPolarHBondContact CB-O 3.29Å; H53-Y56 PolarHBondContact N-O 3.28Å; H53-Y56 PolarHBondContact O-N 2.96Å; H53-Y56 VanDerWaalsContact O-O 3.06Å; H53-I204 HydrophobicContact CB-CD1 3.71Å; H53-I204 HydrophobicContact CB-CG1 4.05Å; H53-I204 HydrophobicContact CB-CG2 4.48Å
54	Y	87.6	Confident	95.2	Very high	25 Å²	25	38.4 Å²	38.4	10%	0.098	18%	0.181	C	C	.	.	T	Hydrogen-bonded Turn	trans	-61.8	118.6	173.5	176.9	-104.1	0	0	0	110.2	N25 Y29 L35 Y56 I193 H202	N25-Y54 PolarHBondContact O-OH 2.93Å; Y29-Y54 AromaticContact CD2-CD1 3.53Å; Y29-Y54 HydrophobicContact CD2-CD1 3.53Å; Y29-Y54 HydrophobicContact CD2-CD2 4.17Å; Y29-Y54 AromaticContact CD2-CE1 3.54Å; Y29-Y54 HydrophobicContact CD2-CE1 3.54Å; Y29-Y54 HydrophobicContact CD2-CE2 4.18Å; Y29-Y54 AromaticContact CD2-CG 3.86Å; Y29-Y54 HydrophobicContact CD2-CG 3.86Å; Y29-Y54 AromaticContact CD2-CZ 3.88Å; Y29-Y54 AromaticContact CE2-CD1 3.98Å; Y29-Y54 HydrophobicContact CE2-CD1 3.98Å; Y29-Y54 HydrophobicContact CE2-CE1 4.34Å; Y29-Y54 HydrophobicContact CE2-CG 4.33Å; Y29-Y54 HydrophobicContact CG-CD1 4.41Å; Y29-Y54 AromaticContact CG-CE1 3.98Å; Y29-Y54 HydrophobicContact CG-CE1 3.98Å; L35-Y54 HydrophobicContact CB-CD2 4.31Å; L35-Y54 HydrophobicContact CD1-CD2 4.02Å; L35-Y54 HydrophobicContact CD1-CE2 4.01Å; L35-Y54 HydrophobicContact CD2-CD2 4.3Å; L35-Y54 HydrophobicContact CG-CD2 4.45Å; Y54-Y56 PolarHBondContact O-N 3Å; Y54-I193 HydrophobicContact CD1-CD1 4.34Å; Y54-I193 HydrophobicContact CE1-CD1 3.81Å; Y54-H202 WeakPolarHBondContact CB-NE2 3.48Å; Y54-H202 PolarHBondContact O-CE1 2.97Å
55	K	86.1	Confident	95.2	Very high	47 Å²	47	39.9 Å²	39.9	20%	0.204	20%	0.2	C	C	.	.	T	Hydrogen-bonded Turn	trans	60.7	2.6	-178	-65.6	-178.1	169.1	176.6	0	116.9	H53 A221 I222	H53-K55 PolarHBondContact O-N 3.47Å; H53-K55 VanDerWaalsContact O-N 3.08Å; K55-A221 CarbonylContact O-C 3.48Å; K55-A221 WeakPolarHBondContact O-CA 3.09Å; K55-I222 PolarHBondContact O-N 3.26Å
56	Y	93.7	Very high	95.2	Very high	1 Å²	1	39.4 Å²	39.4	0%	0.004	20%	0.195	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-138.3	148.7	-176.3	-82.6	-91.7	0	0	0	111	H53 Y54 Y92 I189 I204 F219 E220 A221 I222	H53-Y56 CarbonylContact C-O 3.47Å; H53-Y56 WeakPolarHBondContact CA-O 3.2Å; H53-Y56 WeakPolarHBondContact CB-O 3.29Å; H53-Y56 PolarHBondContact N-O 3.28Å; H53-Y56 PolarHBondContact O-N 2.96Å; H53-Y56 VanDerWaalsContact O-O 3.06Å; Y54-Y56 PolarHBondContact O-N 3Å; Y56-Y92 HydrophobicContact CD2-CE1 4.23Å; Y56-Y92 HydrophobicContact CD2-CE2 4.24Å; Y56-Y92 AromaticContact CE2-CD1 3.97Å; Y56-Y92 HydrophobicContact CE2-CD1 3.97Å; Y56-Y92 AromaticContact CE2-CD2 3.54Å; Y56-Y92 HydrophobicContact CE2-CD2 3.54Å; Y56-Y92 AromaticContact CE2-CE1 3.94Å; Y56-Y92 HydrophobicContact CE2-CE1 3.94Å; Y56-Y92 AromaticContact CE2-CE2 3.55Å; Y56-Y92 HydrophobicContact CE2-CE2 3.55Å; Y56-Y92 AromaticContact CE2-CG 3.79Å; Y56-Y92 HydrophobicContact CE2-CG 3.79Å; Y56-Y92 AromaticContact CE2-CZ 3.75Å; Y56-Y92 AromaticContact CZ-CD2 3.88Å; Y56-Y92 PolarHBondContact OH-N 3.21Å; Y56-I189 HydrophobicContact CD1-CD1 4.12Å; Y56-I189 HydrophobicContact CE1-CD1 4.13Å; Y56-I189 HydrophobicContact CG-CD1 4.47Å; Y56-I204 VanDerWaalsContact CB-CD1 3.48Å; Y56-I204 HydrophobicContact CD2-CD1 4.21Å; Y56-I204 HydrophobicContact CG-CD1 3.96Å; Y56-F219 HydrophobicContact CD1-CB 4.08Å; Y56-F219 HydrophobicContact CE1-CB 4.49Å; Y56-E220 CarbonylContact C-O 3.54Å; Y56-E220 WeakPolarHBondContact CA-O 2.87Å; Y56-A221 HydrophobicContact CE1-CB 4.14Å; Y56-I222 WeakPolarHBondContact O-CD1 3.46Å
57	S	94.2	Very high	95.2	Very high	5 Å²	5	35 Å²	35	4%	0.035	18%	0.175	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-106	145.9	159.9	65.4	0	0	0	0	109.1	Y50 S51 F219 E220	Y50-S57 VanDerWaalsContact OH-CB 3.32Å; Y50-S57 WeakPolarHBondContact OH-CB 3.35Å; Y50-S57 PolarHBondContact OH-OG 3.3Å; S51-S57 CarbonylContact O-C 3.52Å; S51-S57 WeakPolarHBondContact O-CA 3.08Å; S57-F219 WeakPolarHBondContact O-CA 3.47Å; S57-E220 PolarHBondContact N-O 2.93Å; S57-E220 PolarHBondContact O-N 2.76Å
58	M	97	Very high	95.2	Very high	0 Å²	0	33 Å²	33	0%	0	16%	0.161	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-119.5	121.8	174	179.1	-179.8	60.9	0	0	109	Y50 S51 I60 I204 V206 V217 E218 F219	Y50-M58 WeakPolarHBondContact CA-O 3.38Å; S51-M58 PolarHBondContact N-O 3Å; S51-M58 PolarHBondContact O-N 3.31Å; S51-M58 WeakPolarHBondContact OG-CE 2.92Å; S51-M58 PolarHBondContact OG-O 2.95Å; M58-I60 HydrophobicContact CE-CD1 4.13Å; M58-I60 HydrophobicContact CG-CG1 4.25Å; M58-I60 HydrophobicContact SD-CD1 4.26Å; M58-I60 HydrophobicContact SD-CG1 4.38Å; M58-I204 HydrophobicContact SD-CG2 4.37Å; M58-V206 HydrophobicContact SD-CG2 4.25Å; M58-V217 HydrophobicContact CG-CG1 3.78Å; M58-V217 HydrophobicContact SD-CG1 3.98Å; M58-E218 WeakPolarHBondContact CA-O 3.24Å; M58-F219 HydrophobicContact CB-CD1 3.94Å; M58-F219 HydrophobicContact CB-CE1 3.97Å; M58-F219 HydrophobicContact CG-CD1 3.99Å; M58-F219 HydrophobicContact CG-CE1 3.66Å; M58-F219 HydrophobicContact CG-CZ 4.27Å; M58-F219 HydrophobicContact SD-CD1 4.39Å; M58-F219 HydrophobicContact SD-CE1 3.48Å; M58-F219 WeakPolarHBondContact SD-CE1 3.35Å; M58-F219 HydrophobicContact SD-CZ 3.86Å
59	R	96.7	Very high	95.2	Very high	6 Å²	6	34.8 Å²	34.8	2%	0.023	18%	0.176	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-108.7	133.9	171.4	-177.1	178.3	-70.2	125.7	-1.6	109.5	Y48 R49 Y50 Q61 V217 E218 D269	Y48-R59 HydrophobicContact CE2-CG 3.99Å; Y48-R59 WeakPolarHBondContact OH-CD 3.34Å; Y48-R59 PolarHBondContact OH-NE 3.31Å; R49-R59 CarbonylContact O-C 3.53Å; R49-R59 WeakPolarHBondContact O-CA 3.25Å; Y50-R59 HydrophobicContact CD2-CB 3.97Å; Y50-R59 HydrophobicContact CD2-CG 4.47Å; Y50-R59 HydrophobicContact CE2-CB 4.5Å; R59-Q61 HydrophobicContact CG-CG 4.17Å; R59-V217 CarbonylContact O-C 3.58Å; R59-V217 VanDerWaalsContact O-CA 3.28Å; R59-V217 WeakPolarHBondContact O-CA 3.12Å; R59-E218 HydrophobicContact CB-CB 4.49Å; R59-E218 PolarHBondContact N-O 3.09Å; R59-E218 IonicContact NH1-OE2 3.29Å; R59-E218 PolarHBondContact O-N 3.33Å; R59-D269 IonicContact CZ-OD2 2.8Å; R59-D269 IonicContact NE-OD2 3.04Å; R59-D269 IonicContact NH2-OD2 3.32Å; R59-D269 PolarHBondContact NH2-OD2 3.48Å
60	I	98.3	Very high	95.1	Very high	0 Å²	0	36.1 Å²	36.1	0%	0	19%	0.187	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-122.3	128.8	174.1	-48.7	-176.3	0	0	0	108.3	Y48 R49 M58 V206 W210 T215 L216 V217	Y48-I60 CarbonylContact C-O 3.57Å; Y48-I60 WeakPolarHBondContact CA-O 3.38Å; R49-I60 HydrophobicContact CB-CB 4.06Å; R49-I60 HydrophobicContact CB-CD1 4.36Å; R49-I60 HydrophobicContact CB-CG1 4.3Å; R49-I60 PolarHBondContact N-O 3.15Å; R49-I60 PolarHBondContact O-N 3.32Å; M58-I60 HydrophobicContact CE-CD1 4.13Å; M58-I60 HydrophobicContact CG-CG1 4.25Å; M58-I60 HydrophobicContact SD-CD1 4.26Å; M58-I60 HydrophobicContact SD-CG1 4.38Å; I60-V206 HydrophobicContact CD1-CG1 4.19Å; I60-W210 HydrophobicContact CB-CD2 4.38Å; I60-W210 HydrophobicContact CB-CE3 4.17Å; I60-W210 HydrophobicContact CD1-CB 3.91Å; I60-W210 HydrophobicContact CD1-CD2 4.1Å; I60-W210 HydrophobicContact CD1-CG 3.7Å; I60-W210 HydrophobicContact CG2-CB 4.07Å; I60-W210 HydrophobicContact CG2-CD2 3.79Å; I60-W210 HydrophobicContact CG2-CE3 3.35Å; I60-W210 HydrophobicContact CG2-CG 4.1Å; I60-W210 HydrophobicContact CG2-CZ3 3.99Å; I60-T215 HydrophobicContact CG2-CG2 3.4Å; I60-L216 WeakPolarHBondContact CA-O 3.35Å; I60-V217 HydrophobicContact CG1-CG1 4.27Å; I60-V217 HydrophobicContact CG1-CG2 4.18Å; I60-V217 HydrophobicContact CG2-CG2 4.16Å
61	Q	97.8	Very high	95	Very high	39 Å²	39	42.3 Å²	42.3	18%	0.182	22%	0.22	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-129.3	125.3	178.8	-71.7	174.4	-116.3	0	0	110.1	Y48 R59 Q64 T215 L216	Y48-Q61 HydrophobicContact CD2-CG 3.65Å; Y48-Q61 HydrophobicContact CE2-CG 3.59Å; R59-Q61 HydrophobicContact CG-CG 4.17Å; Q61-Q64 HydrophobicContact CB-CG 3.65Å; Q61-Q64 WeakPolarHBondContact O-CG 3.41Å; Q61-T215 CarbonylContact O-C 3.39Å; Q61-T215 WeakPolarHBondContact O-CA 3.41Å; Q61-L216 PolarHBondContact N-O 3.11Å; Q61-L216 PolarHBondContact O-N 3.48Å
62	R	97.8	Very high	95.1	Very high	43 Å²	43	46.2 Å²	46.2	16%	0.162	24%	0.235	C	C	.	.	S	Bend	trans	-84	164.6	170.4	-66.6	-65	-55.8	-84.6	-2.5	111.2	S47 Q64 W210 K212 G214 T215	S47-R62 PolarHBondContact O-N 3.19Å; R62-Q64 PolarHBondContact O-N 2.9Å; R62-Q64 PolarHBondContact O-NE2 3.32Å; R62-W210 HydrophobicContact CG-CE3 4.12Å; R62-W210 HydrophobicContact CG-CZ3 3.77Å; R62-K212 VanDerWaalsContact NH1-CD 3.35Å; R62-G214 CarbonylContact C-O 3.6Å; R62-T215 WeakPolarHBondContact CD-OG1 3.46Å; R62-T215 PolarHBondContact NE-OG1 2.64Å
63	Y	97.5	Very high	95.3	Very high	169 Å²	169	46.2 Å²	46.2	66%	0.663	24%	0.235	S	C	*	.	S	Bend	trans	60.3	33.2	175.4	-43.2	-64.5	0	0	0	113.3	G214	Y63-G214 PolarHBondContact N-O 2.93Å
64	Q	97.8	Very high	95.4	Very high	67 Å²	67	50.9 Å²	50.9	31%	0.313	26%	0.26	S	S	.	.	P	Polyproline II helix	trans	-90.6	143.2	176.5	-56.8	-55	-61.6	0	0	110.2	Q61 R62 F172 G214 L216	Q61-Q64 HydrophobicContact CB-CG 3.65Å; Q61-Q64 WeakPolarHBondContact O-CG 3.41Å; R62-Q64 PolarHBondContact O-N 2.9Å; R62-Q64 PolarHBondContact O-NE2 3.32Å; Q64-F172 HydrophobicContact CB-CE2 4.23Å; Q64-F172 WeakPolarHBondContact O-CE2 3.35Å; Q64-G214 PolarHBondContact N-O 3.37Å; Q64-L216 HydrophobicContact CB-CB 4.01Å; Q64-L216 HydrophobicContact CG-CB 3.85Å
65	S	96.5	Very high	95.8	Very high	108 Å²	108	52.1 Å²	52.1	76%	0.755	27%	0.268	S	S	*	.	P	Polyproline II helix	trans	-73.1	160.5	168.9	-56.3	0	0	0	0	110.8	F172	S65-F172 WeakPolarHBondContact O-CE2 3.48Å
66	Q	95.1	Very high	96.1	Very high	61 Å²	61	56 Å²	56	29%	0.285	29%	0.288	S	S	.	.	P	Polyproline II helix	trans	-56.5	125.5	175.1	-166.9	-178.5	-2.7	0	0	109.6	V68 S70 F172	Q66-V68 WeakPolarHBondContact CG-O 3.41Å; Q66-V68 PolarHBondContact NE2-O 3.27Å; Q66-V68 PolarHBondContact O-N 3.34Å; Q66-S70 PolarHBondContact NE2-OG 3.05Å; Q66-S70 VanDerWaalsContact NE2-OG 3.13Å; Q66-S70 PolarHBondContact OE1-OG 3.17Å; Q66-F172 HydrophobicContact CB-CD1 4.49Å; Q66-F172 HydrophobicContact CB-CE1 3.84Å; Q66-F172 HydrophobicContact CB-CZ 4.25Å; Q66-F172 HydrophobicContact CG-CD1 4.12Å; Q66-F172 HydrophobicContact CG-CE1 3.91Å
67	P	94.8	Very high	96.1	Very high	58 Å²	58	57 Å²	57	38%	0.377	29%	0.292	S	S	.	.	S	Bend	trans	-68.4	-22.1	-174	25.8	-35	0	0	0	112.8	L162 F172 L216	P67-L162 HydrophobicContact CB-CD1 4.17Å; P67-L162 HydrophobicContact CG-CD1 3.79Å; P67-F172 HydrophobicContact CG-CB 4.08Å; P67-F172 HydrophobicContact CG-CG 4.23Å; P67-L216 HydrophobicContact CG-CD1 4.44Å
68	V	96.4	Very high	95.6	Very high	5 Å²	5	64.2 Å²	64.2	3%	0.03	33%	0.331	C	S	.	.	S	Bend	trans	-141.1	132.6	-179.5	-174	0	0	0	0	109.9	Q66 R72 F73 L134 L139 L162	Q66-V68 WeakPolarHBondContact CG-O 3.41Å; Q66-V68 PolarHBondContact NE2-O 3.27Å; Q66-V68 PolarHBondContact O-N 3.34Å; V68-R72 HydrophobicContact CG1-CB 4.04Å; V68-R72 HydrophobicContact CG1-CG 4.47Å; V68-F73 HydrophobicContact CB-CE2 4Å; V68-F73 HydrophobicContact CB-CZ 4.35Å; V68-F73 HydrophobicContact CG1-CE2 4.03Å; V68-L134 HydrophobicContact CG1-CD1 3.49Å; V68-L134 VanDerWaalsContact CG1-CD1 3.49Å; V68-L139 HydrophobicContact CG2-CD2 3.52Å; V68-L162 HydrophobicContact CG2-CD1 3.7Å; V68-L162 HydrophobicContact CG2-CD2 4.16Å
69	P	96	Very high	95.3	Very high	68 Å²	68	70.2 Å²	70.2	44%	0.442	36%	0.363	S	S	.	.			trans	-52.6	141.3	174.2	-28.2	35.6	0	0	0	113.6	D71 R72	P69-D71 VanDerWaalsContact C-N 3.28Å; P69-D71 WeakPolarHBondContact CB-OD1 3.14Å; P69-D71 PolarHBondContact O-N 2.95Å; P69-R72 PolarHBondContact O-N 3.36Å
70	S	94.6	Very high	95.2	Very high	40 Å²	40	71.7 Å²	71.7	28%	0.28	37%	0.372	S	S	.	.	G	3₁₀ helix	trans	-65.1	-27.4	-172.6	-89.8	0	0	0	0	114.8	Q66 R72 F73 K143	Q66-S70 PolarHBondContact NE2-OG 3.05Å; Q66-S70 VanDerWaalsContact NE2-OG 3.13Å; Q66-S70 PolarHBondContact OE1-OG 3.17Å; S70-R72 VanDerWaalsContact C-N 3.31Å; S70-F73 PolarHBondContact O-N 3.24Å; S70-K143 PolarHBondContact O-NZ 2.96Å; S70-K143 PolarHBondContact OG-NZ 3.43Å; S70-K143 VanDerWaalsContact OG-NZ 3.14Å
71	D	95.5	Very high	95.2	Very high	129 Å²	129	74.3 Å²	74.3	69%	0.69	38%	0.383	S	S	*	.	G	3₁₀ helix	trans	-71.8	-19.9	179.5	56.1	-58.8	0	0	0	113.6	P69 F73	P69-D71 VanDerWaalsContact C-N 3.28Å; P69-D71 WeakPolarHBondContact CB-OD1 3.14Å; P69-D71 PolarHBondContact O-N 2.95Å; D71-F73 VanDerWaalsContact C-N 3.26Å; D71-F73 PolarHBondContact O-N 3.19Å
72	R	97.5	Very high	95.1	Very high	83 Å²	83	79.2 Å²	79.2	31%	0.313	40%	0.401	S	S	.	.	G	3₁₀ helix	trans	-73.8	-16.2	174.3	-68.4	-179.8	61.8	-169.2	-2.1	113.8	V68 P69 S70 N74 L134 E136	V68-R72 HydrophobicContact CG1-CB 4.04Å; V68-R72 HydrophobicContact CG1-CG 4.47Å; P69-R72 PolarHBondContact O-N 3.36Å; S70-R72 VanDerWaalsContact C-N 3.31Å; R72-N74 PolarHBondContact O-N 3.5Å; R72-L134 HydrophobicContact CB-CD1 3.71Å; R72-L134 HydrophobicContact CB-CG 4.49Å; R72-E136 IonicContact CZ-OE1 3.69Å; R72-E136 IonicContact CZ-OE2 3.62Å; R72-E136 IonicContact NE-OE1 3.51Å; R72-E136 PolarHBondContact NE-OE1 2.73Å; R72-E136 IonicContact NE-OE2 2.77Å; R72-E136 IonicContact NH2-OE1 3.68Å; R72-E136 PolarHBondContact NH2-OE1 2.82Å; R72-E136 IonicContact NH2-OE2 2.63Å; R72-E136 PolarHBondContact NH2-OE2 3.45Å
73	F	97.8	Very high	95	Very high	4 Å²	4	77.2 Å²	77.2	2%	0.018	39%	0.393	C	S	.	.			trans	-88.5	89.3	171.4	-62.7	-94.3	0	0	0	108.6	V68 S70 D71 R132 L134 K143 T160 L162	V68-F73 HydrophobicContact CB-CE2 4Å; V68-F73 HydrophobicContact CB-CZ 4.35Å; V68-F73 HydrophobicContact CG1-CE2 4.03Å; S70-F73 PolarHBondContact O-N 3.24Å; D71-F73 VanDerWaalsContact C-N 3.26Å; D71-F73 PolarHBondContact O-N 3.19Å; F73-R132 HydrophobicContact CB-CB 3.82Å; F73-R132 WeakPolarHBondContact CD1-O 3.21Å; F73-R132 WeakPolarHBondContact O-CB 3.48Å; F73-R132 WeakPolarHBondContact O-CD 3.46Å; F73-L134 HydrophobicContact CD1-CB 3.56Å; F73-L134 HydrophobicContact CE1-CB 3.69Å; F73-L134 HydrophobicContact CE1-CD1 4.46Å; F73-L134 HydrophobicContact CE2-CD1 4.33Å; F73-L134 HydrophobicContact CG-CB 4.09Å; F73-L134 HydrophobicContact CZ-CB 4.3Å; F73-L134 HydrophobicContact CZ-CD1 4.26Å; F73-K143 HydrophobicContact CB-CB 4.32Å; F73-K143 HydrophobicContact CD1-CB 3.6Å; F73-K143 HydrophobicContact CD2-CB 4.16Å; F73-K143 HydrophobicContact CD2-CD 4.18Å; F73-K143 HydrophobicContact CE1-CB 3.85Å; F73-K143 HydrophobicContact CE2-CB 4.37Å; F73-K143 HydrophobicContact CG-CB 3.76Å; F73-K143 HydrophobicContact CG-CD 4.44Å; F73-K143 HydrophobicContact CZ-CB 4.23Å; F73-T160 HydrophobicContact CE1-CG2 3.9Å; F73-T160 HydrophobicContact CE2-CG2 4.3Å; F73-T160 HydrophobicContact CZ-CG2 3.43Å; F73-T160 VanDerWaalsContact CZ-CG2 3.43Å; F73-L162 HydrophobicContact CE1-CD2 4.31Å; F73-L162 HydrophobicContact CZ-CD2 3.99Å
74	N	95.5	Very high	94.9	Very high	110 Å²	110	73 Å²	73	59%	0.588	39%	0.385	S	S	*	.			trans	-113.1	-17.2	-167.6	58	-2.8	0	0	0	114.3	R72 V133	R72-N74 PolarHBondContact O-N 3.5Å; N74-V133 PolarHBondContact N-O 2.85Å
75	N	95.5	Very high	94.8	Very high	51 Å²	51	70.6 Å²	70.6	27%	0.273	38%	0.375	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-89.1	118.3	179.8	-61.2	-52.8	0	0	0	110.6	Y81 R132 V133	N75-Y81 HydrophobicContact CB-CD2 4.19Å; N75-Y81 HydrophobicContact CB-CE2 3.61Å; N75-Y81 PolarHBondContact ND2-OH 3.41Å; N75-R132 CarbonylContact O-C 3.53Å; N75-R132 WeakPolarHBondContact O-CA 3.33Å; N75-V133 HydrophobicContact CB-CB 4.11Å; N75-V133 PolarHBondContact N-O 2.92Å; N75-V133 PolarHBondContact O-N 2.98Å
76	E	93.2	Very high	94.7	Very high	130 Å²	130	71.2 Å²	71.2	61%	0.607	37%	0.366	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-77.1	143.4	176.8	-172.2	170.2	-178.2	0	0	111.6
77	I	91.8	Very high	94.7	Very high	20 Å²	20	69.5 Å²	69.5	10%	0.103	36%	0.358	C	S	.	.	P	Polyproline II helix	trans	-98.3	116.3	171.4	-51.7	-175.6	0	0	0	108.6	F101 S131 V133 V142	I77-F101 HydrophobicContact CD1-CB 3.56Å; I77-S131 PolarHBondContact N-O 3.36Å; I77-V133 HydrophobicContact CD1-CG2 3.59Å; I77-V133 HydrophobicContact CG1-CG2 3.68Å; I77-V142 HydrophobicContact CD1-CG2 3.81Å
78	D	84.5	Confident	94.6	Very high	158 Å²	158	70.8 Å²	70.8	85%	0.845	37%	0.368	S	S	*	.	S	Bend	trans	-85.1	-56.3	173.3	-168.7	21.8	0	0	0	111
79	D	90.5	Very high	94.5	Very high	125 Å²	125	70.7 Å²	70.7	67%	0.668	37%	0.367	S	S	*	.	S	Bend	trans	-122.2	-62.6	172.9	-169.7	28.1	0	0	0	110.7
80	V	95.4	Very high	94.4	Very high	37 Å²	37	74.6 Å²	74.6	22%	0.224	37%	0.374	C	S	.	.			trans	-137.8	140.4	177.5	-169.9	0	0	0	0	109.7	Y82 D100 F101 E102	V80-Y82 HydrophobicContact CB-CE1 4.43Å; V80-Y82 HydrophobicContact CG1-CD1 4.22Å; V80-Y82 HydrophobicContact CG1-CE1 3.8Å; V80-D100 HydrophobicContact CG1-CB 3.87Å; V80-F101 WeakPolarHBondContact CA-O 3.29Å; V80-E102 HydrophobicContact CG1-CG 4.12Å; V80-E102 HydrophobicContact CG2-CG 4.01Å
81	Y	97.3	Very high	94.4	Very high	56 Å²	56	72.9 Å²	72.9	22%	0.22	36%	0.361	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-112	123.7	167	-174.2	-77.3	0	0	0	110.2	N75 G83 F101 V133 D135	N75-Y81 HydrophobicContact CB-CD2 4.19Å; N75-Y81 HydrophobicContact CB-CE2 3.61Å; N75-Y81 PolarHBondContact ND2-OH 3.41Å; Y81-G83 PolarHBondContact O-N 2.74Å; Y81-F101 HydrophobicContact CD1-CD2 4.09Å; Y81-F101 PolarHBondContact N-O 2.8Å; Y81-F101 PolarHBondContact O-N 3.21Å; Y81-V133 HydrophobicContact CD1-CB 4.15Å; Y81-V133 HydrophobicContact CD1-CG1 3.8Å; Y81-V133 HydrophobicContact CD1-CG2 3.97Å; Y81-V133 HydrophobicContact CD2-CG2 4.45Å; Y81-V133 HydrophobicContact CE1-CB 4.31Å; Y81-V133 HydrophobicContact CE1-CG1 3.72Å; Y81-V133 HydrophobicContact CG-CB 4.27Å; Y81-V133 HydrophobicContact CG-CG1 4.42Å; Y81-V133 HydrophobicContact CG-CG2 3.87Å; Y81-D135 HydrophobicContact CE1-CB 4.28Å; Y81-D135 PolarHBondContact OH-OD2 2.84Å
82	Y	95.9	Very high	94.2	Very high	142 Å²	142	67.6 Å²	67.6	56%	0.557	33%	0.331	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-90.9	96	-179.3	-55.1	-74.3	0	0	0	110.5	V80 D100	V80-Y82 HydrophobicContact CB-CE1 4.43Å; V80-Y82 HydrophobicContact CG1-CD1 4.22Å; V80-Y82 HydrophobicContact CG1-CE1 3.8Å; Y82-D100 WeakPolarHBondContact CD1-OD1 3.09Å
83	G	95.9	Very high	93.8	Very high	0 Å²	0	65.4 Å²	65.4	0%	0	33%	0.334	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-87.3	127.8	177.8	0	0	0	0	0	111.6	Y81 Q98 I99	Y81-G83 PolarHBondContact O-N 2.74Å; G83-Q98 CarbonylContact O-C 3.56Å; G83-Q98 VanDerWaalsContact O-CA 3.31Å; G83-Q98 WeakPolarHBondContact O-CA 3.48Å; G83-I99 PolarHBondContact N-O 3.43Å; G83-I99 PolarHBondContact O-N 2.84Å
84	T	95.3	Very high	93.5	Very high	80 Å²	80	67.5 Å²	67.5	49%	0.491	35%	0.347	S	S	.	.			trans	-109.3	107.5	173	-61.9	0	0	0	0	108.9	Q86	T84-Q86 PolarHBondContact O-N 3.34Å; T84-Q86 VanDerWaalsContact O-N 3.11Å
85	P	95.5	Very high	93.5	Very high	17 Å²	17	66.3 Å²	66.3	11%	0.11	34%	0.338	C	S	.	.			trans	-52.2	122	175.8	-25.1	32.3	0	0	0	111.4	F87 V96 I99 L140	P85-F87 HydrophobicContact CB-CD2 4.03Å; P85-F87 HydrophobicContact CB-CE1 4.39Å; P85-F87 HydrophobicContact CB-CE2 3.89Å; P85-F87 HydrophobicContact CB-CG 4.42Å; P85-F87 HydrophobicContact CB-CZ 4.08Å; P85-F87 PolarHBondContact O-N 2.98Å; P85-V96 HydrophobicContact CG-CG1 4.09Å; P85-I99 HydrophobicContact CG-CD1 3.76Å; P85-L140 HydrophobicContact CB-CD2 4.47Å; P85-L140 HydrophobicContact CG-CD2 3.78Å
86	Q	94.6	Very high	93.5	Very high	122 Å²	122	64 Å²	64	57%	0.57	33%	0.326	S	S	*	.	S	Bend	trans	-80.6	12.6	174.8	-60.8	178.8	43	0	0	112.4	T84	T84-Q86 PolarHBondContact O-N 3.34Å; T84-Q86 VanDerWaalsContact O-N 3.11Å
87	F	94.9	Very high	93.6	Very high	25 Å²	25	60.1 Å²	60.1	11%	0.11	31%	0.311	C	S	.	.	S	Bend	trans	-135.2	150.4	-179.1	49.8	-98.7	0	0	0	109.4	P85 C89 K137 L140 I163 P165	P85-F87 HydrophobicContact CB-CD2 4.03Å; P85-F87 HydrophobicContact CB-CE1 4.39Å; P85-F87 HydrophobicContact CB-CE2 3.89Å; P85-F87 HydrophobicContact CB-CG 4.42Å; P85-F87 HydrophobicContact CB-CZ 4.08Å; P85-F87 PolarHBondContact O-N 2.98Å; F87-C89 HydrophobicContact CD2-CB 3.89Å; F87-C89 HydrophobicContact CE2-CB 3.89Å; F87-C89 PolarHBondContact O-N 2.73Å; F87-K137 WeakPolarHBondContact CD1-O 3.31Å; F87-L140 HydrophobicContact CE1-CB 4.22Å; F87-L140 HydrophobicContact CZ-CB 3.98Å; F87-I163 HydrophobicContact CE2-CG2 4.21Å; F87-I163 WeakPolarHBondContact CZ-O 3.44Å; F87-P165 HydrophobicContact CB-CB 4.14Å; F87-P165 HydrophobicContact CB-CG 4.29Å; F87-P165 HydrophobicContact CD1-CG 4.32Å; F87-P165 VanDerWaalsContact CD2-CA 3.45Å; F87-P165 HydrophobicContact CD2-CB 4.18Å; F87-P165 HydrophobicContact CD2-CG 4.3Å; F87-P165 HydrophobicContact CG-CB 4.17Å; F87-P165 HydrophobicContact CG-CG 4.05Å
88	S	92.1	Very high	93.9	Very high	85 Å²	85	62 Å²	62	59%	0.594	32%	0.32	S	S	*	.			trans	-80.6	100.9	178.7	164.3	0	0	0	0	110.5	P165	S88-P165 VanDerWaalsContact O-O 3.04Å
89	C	94.5	Very high	94.5	Very high	2 Å²	2	54.5 Å²	54.5	1%	0.014	28%	0.279	C	S	.	.			trans	-114.3	162.1	172.9	65.4	0	0	0	0	112.5	F87 V96	F87-C89 HydrophobicContact CD2-CB 3.89Å; F87-C89 HydrophobicContact CE2-CB 3.89Å; F87-C89 PolarHBondContact O-N 2.73Å; C89-V96 PolarHBondContact O-N 3.31Å; C89-V96 VanDerWaalsContact O-N 3.1Å
90	R	94.2	Very high	94.8	Very high	151 Å²	151	49.2 Å²	49.2	57%	0.57	25%	0.251	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-124.5	144.2	176.1	-57.4	179.9	102.2	105.6	0.2	110.4	G93 T94 G167	R90-G93 PolarHBondContact NE-O 2.92Å; R90-G93 PolarHBondContact NH2-O 3.14Å; R90-T94 CarbonylContact C-O 3.6Å; R90-T94 WeakPolarHBondContact CA-O 3.33Å; R90-G167 WeakPolarHBondContact O-CA 3.37Å
91	Y	94.6	Very high	94.9	Very high	4 Å²	4	47.5 Å²	47.5	2%	0.016	24%	0.24	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-128.1	124.2	173.7	-171.5	-91.4	0	0	0	108.3	G93 T94 V108 I116 T118 I119 V169 Y190	Y91-G93 PolarHBondContact O-N 2.87Å; Y91-G93 VanDerWaalsContact O-N 3.14Å; Y91-T94 PolarHBondContact N-O 2.9Å; Y91-T94 WeakPolarHBondContact O-CB 3.42Å; Y91-T94 PolarHBondContact O-N 3.47Å; Y91-V108 HydrophobicContact CD1-CB 4.28Å; Y91-V108 HydrophobicContact CD1-CG1 4.21Å; Y91-V108 HydrophobicContact CD1-CG2 4.41Å; Y91-V108 HydrophobicContact CD2-CG2 4.28Å; Y91-V108 HydrophobicContact CE1-CG2 4.43Å; Y91-V108 HydrophobicContact CE2-CG2 4.28Å; Y91-V108 HydrophobicContact CG-CB 4.4Å; Y91-V108 HydrophobicContact CG-CG1 3.98Å; Y91-V108 HydrophobicContact CG-CG2 4.34Å; Y91-I116 HydrophobicContact CD1-CD1 4.32Å; Y91-I116 HydrophobicContact CD1-CG1 4.44Å; Y91-T118 PolarHBondContact OH-O 3.26Å; Y91-T118 VanDerWaalsContact OH-O 3.06Å; Y91-I119 HydrophobicContact CE2-CD1 4.34Å; Y91-I119 HydrophobicContact CE2-CG1 4.07Å; Y91-V169 HydrophobicContact CD2-CG2 4.35Å; Y91-V169 HydrophobicContact CE2-CG2 4.21Å; Y91-Y190 WeakPolarHBondContact CE1-O 2.99Å; Y91-Y190 PolarHBondContact OH-N 3.24Å; Y91-Y190 PolarHBondContact OH-O 2.81Å
92	Y	92	Very high	94.7	Very high	18 Å²	18	46.8 Å²	46.8	7%	0.071	24%	0.239	C	C	.	.	T	Hydrogen-bonded Turn	trans	49	39.2	-172.5	-82.3	-101.7	0	0	0	113.6	Y56 T94 I189 G191 H202	Y56-Y92 HydrophobicContact CD2-CE1 4.23Å; Y56-Y92 HydrophobicContact CD2-CE2 4.24Å; Y56-Y92 AromaticContact CE2-CD1 3.97Å; Y56-Y92 HydrophobicContact CE2-CD1 3.97Å; Y56-Y92 AromaticContact CE2-CD2 3.54Å; Y56-Y92 HydrophobicContact CE2-CD2 3.54Å; Y56-Y92 AromaticContact CE2-CE1 3.94Å; Y56-Y92 HydrophobicContact CE2-CE1 3.94Å; Y56-Y92 AromaticContact CE2-CE2 3.55Å; Y56-Y92 HydrophobicContact CE2-CE2 3.55Å; Y56-Y92 AromaticContact CE2-CG 3.79Å; Y56-Y92 HydrophobicContact CE2-CG 3.79Å; Y56-Y92 AromaticContact CE2-CZ 3.75Å; Y56-Y92 AromaticContact CZ-CD2 3.88Å; Y56-Y92 PolarHBondContact OH-N 3.21Å; Y92-T94 PolarHBondContact O-N 2.95Å; Y92-I189 HydrophobicContact CE2-CD1 4.45Å; Y92-G191 VanDerWaalsContact CE2-N 3.32Å; Y92-G191 VanDerWaalsContact CZ-N 3.29Å; Y92-H202 HydrophobicContact CE1-CB 4.01Å; Y92-H202 AromaticContact CE1-ND1 3.45Å; Y92-H202 WeakPolarHBondContact CE1-ND1 3.27Å; Y92-H202 AromaticContact CZ-ND1 3.66Å; Y92-H202 PolarHBondContact OH-ND1 3.11Å; Y92-H202 PolarHBondContact OH-O 2.69Å; Y92-H202 VanDerWaalsContact OH-O 3.11Å
93	G	89.5	Confident	94.4	Very high	36 Å²	36	46.7 Å²	46.7	37%	0.371	24%	0.238	S	C	.	.	T	Hydrogen-bonded Turn	trans	80.5	-7.6	-179.1	0	0	0	0	0	115.2	R90 Y91	R90-G93 PolarHBondContact NE-O 2.92Å; R90-G93 PolarHBondContact NH2-O 3.14Å; Y91-G93 PolarHBondContact O-N 2.87Å; Y91-G93 VanDerWaalsContact O-N 3.14Å
94	T	91.7	Very high	94.1	Very high	48 Å²	48	50 Å²	50	29%	0.294	25%	0.253	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-98.6	139.7	-177.4	-59.1	0	0	0	0	111.4	R90 Y91 Y92 V96 K110 I116	R90-T94 CarbonylContact C-O 3.6Å; R90-T94 WeakPolarHBondContact CA-O 3.33Å; Y91-T94 PolarHBondContact N-O 2.9Å; Y91-T94 WeakPolarHBondContact O-CB 3.42Å; Y91-T94 PolarHBondContact O-N 3.47Å; Y92-T94 PolarHBondContact O-N 2.95Å; T94-V96 PolarHBondContact O-N 2.99Å; T94-K110 HydrophobicContact CG2-CB 3.8Å; T94-K110 HydrophobicContact CG2-CD 3.73Å; T94-K110 HydrophobicContact CG2-CG 4.28Å; T94-I116 HydrophobicContact CG2-CD1 3.79Å; T94-I116 HydrophobicContact CG2-CG2 4.22Å
95	H	94.3	Very high	94.1	Very high	85 Å²	85	50.6 Å²	50.6	39%	0.394	25%	0.246	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-66.9	127	177.3	-179.1	-83	0	0	0	110.8
96	V	96.1	Very high	94.2	Very high	4 Å²	4	49.8 Å²	49.8	2%	0.024	24%	0.241	C	C	.	.	P	Polyproline II helix	trans	-84.8	131.9	178.4	-177.1	0	0	0	0	109.2	P85 C89 T94 I99 V108 Y109	P85-V96 HydrophobicContact CG-CG1 4.09Å; C89-V96 PolarHBondContact O-N 3.31Å; C89-V96 VanDerWaalsContact O-N 3.1Å; T94-V96 PolarHBondContact O-N 2.99Å; V96-I99 HydrophobicContact CG1-CD1 3.89Å; V96-I99 HydrophobicContact CG1-CG1 3.94Å; V96-V108 HydrophobicContact CB-CG1 4.26Å; V96-V108 HydrophobicContact CG1-CG1 3.67Å; V96-V108 HydrophobicContact CG2-CG1 3.63Å; V96-Y109 WeakPolarHBondContact CA-O 3.33Å
97	V	96.1	Very high	94.3	Very high	48 Å²	48	44.5 Å²	44.5	29%	0.291	22%	0.217	S	C	.	.			trans	-111.5	-26.7	174.5	-55.7	0	0	0	0	112.4	Y109	V97-Y109 PolarHBondContact N-O 2.95Å
98	Q	96.4	Very high	94.4	Very high	60 Å²	60	43.3 Å²	43.3	28%	0.28	21%	0.212	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-155.4	146.8	-175.5	-175.6	176.6	-63.1	0	0	108.9	G83 D100 Y109	G83-Q98 CarbonylContact O-C 3.56Å; G83-Q98 VanDerWaalsContact O-CA 3.31Å; G83-Q98 WeakPolarHBondContact O-CA 3.48Å; Q98-D100 WeakPolarHBondContact CG-OD1 3.31Å; Q98-D100 PolarHBondContact NE2-OD1 2.77Å; Q98-Y109 PolarHBondContact O-N 2.84Å
99	I	97.4	Very high	94.6	Very high	0 Å²	0	41.5 Å²	41.5	0%	0	19%	0.192	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-125.9	126.6	166.3	-64.4	127.4	0	0	0	107.9	G83 P85 V96 F101 D106 D107 V108 L140 I163	G83-I99 PolarHBondContact N-O 3.43Å; G83-I99 PolarHBondContact O-N 2.84Å; P85-I99 HydrophobicContact CG-CD1 3.76Å; V96-I99 HydrophobicContact CG1-CD1 3.89Å; V96-I99 HydrophobicContact CG1-CG1 3.94Å; I99-F101 HydrophobicContact CB-CE2 4.14Å; I99-F101 HydrophobicContact CB-CZ 4.03Å; I99-F101 HydrophobicContact CG2-CD1 4.07Å; I99-F101 HydrophobicContact CG2-CD2 4.34Å; I99-F101 HydrophobicContact CG2-CE1 3.62Å; I99-F101 HydrophobicContact CG2-CE2 3.91Å; I99-F101 HydrophobicContact CG2-CG 4.42Å; I99-F101 HydrophobicContact CG2-CZ 3.52Å; I99-D106 HydrophobicContact CG2-CB 3.8Å; I99-D107 CarbonylContact C-O 3.49Å; I99-D107 VanDerWaalsContact CA-O 3.27Å; I99-D107 WeakPolarHBondContact CA-O 3.09Å; I99-V108 HydrophobicContact CG1-CG1 4.22Å; I99-V108 HydrophobicContact CG1-CG2 4.31Å; I99-L140 HydrophobicContact CD1-CD2 3.53Å; I99-I163 HydrophobicContact CD1-CD1 3.34Å; I99-I163 HydrophobicContact CG1-CD1 3.83Å
100	D	97	Very high	94.6	Very high	13 Å²	13	44.1 Å²	44.1	7%	0.07	20%	0.203	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-95	110.2	176.6	-66.3	5.4	0	0	0	107.9	V80 Y82 Q98 E102 D106 D107 Y109	V80-D100 HydrophobicContact CG1-CB 3.87Å; Y82-D100 WeakPolarHBondContact CD1-OD1 3.09Å; Q98-D100 WeakPolarHBondContact CG-OD1 3.31Å; Q98-D100 PolarHBondContact NE2-OD1 2.77Å; D100-E102 PolarHBondContact O-N 3.4Å; D100-D106 CarbonylContact O-C 3.49Å; D100-D106 WeakPolarHBondContact O-CA 3.42Å; D100-D107 HydrophobicContact CB-CB 4.39Å; D100-D107 PolarHBondContact N-O 2.83Å; D100-D107 PolarHBondContact O-N 3.48Å; D100-Y109 HydrophobicContact CB-CE2 3.84Å; D100-Y109 WeakPolarHBondContact OD2-CE2 3.16Å; D100-Y109 PolarHBondContact OD2-OH 3.04Å
101	F	97.6	Very high	94.4	Very high	1 Å²	1	41.5 Å²	41.5	0%	0.004	21%	0.208	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-86.7	108.6	175.5	-60.3	-76.5	0	0	0	108.9	I77 V80 Y81 I99 D106 V133 L140 V142	I77-F101 HydrophobicContact CD1-CB 3.56Å; V80-F101 WeakPolarHBondContact CA-O 3.29Å; Y81-F101 HydrophobicContact CD1-CD2 4.09Å; Y81-F101 PolarHBondContact N-O 2.8Å; Y81-F101 PolarHBondContact O-N 3.21Å; I99-F101 HydrophobicContact CB-CE2 4.14Å; I99-F101 HydrophobicContact CB-CZ 4.03Å; I99-F101 HydrophobicContact CG2-CD1 4.07Å; I99-F101 HydrophobicContact CG2-CD2 4.34Å; I99-F101 HydrophobicContact CG2-CE1 3.62Å; I99-F101 HydrophobicContact CG2-CE2 3.91Å; I99-F101 HydrophobicContact CG2-CG 4.42Å; I99-F101 HydrophobicContact CG2-CZ 3.52Å; F101-D106 HydrophobicContact CD1-CB 3.9Å; F101-D106 WeakPolarHBondContact CD1-OD1 3.38Å; F101-D106 HydrophobicContact CE1-CB 4.01Å; F101-V133 HydrophobicContact CB-CG2 4.02Å; F101-V133 HydrophobicContact CD2-CG1 4.12Å; F101-V133 HydrophobicContact CD2-CG2 3.98Å; F101-V133 HydrophobicContact CE2-CG1 4.14Å; F101-V133 HydrophobicContact CG-CG2 4.03Å; F101-L140 HydrophobicContact CE2-CD1 3.93Å; F101-L140 HydrophobicContact CE2-CD2 4.14Å; F101-L140 HydrophobicContact CE2-CG 3.93Å; F101-L140 HydrophobicContact CZ-CD1 4.27Å; F101-L140 HydrophobicContact CZ-CD2 4.17Å; F101-L140 HydrophobicContact CZ-CG 3.83Å; F101-V142 HydrophobicContact CD1-CB 3.63Å; F101-V142 HydrophobicContact CD1-CG1 3.49Å; F101-V142 VanDerWaalsContact CD1-CG1 3.49Å; F101-V142 HydrophobicContact CE1-CB 4.06Å; F101-V142 HydrophobicContact CE1-CG1 3.86Å; F101-V142 HydrophobicContact CG-CB 4.24Å; F101-V142 HydrophobicContact CG-CG1 4.48Å
102	E	94.2	Very high	93.7	Very high	42 Å²	42	45.4 Å²	45.4	20%	0.196	25%	0.249	C	C	.	.			trans	-103.8	179.9	174.6	-66.6	-173.2	-128.6	0	0	110.7	V80 D100 H104 R105 R144	V80-E102 HydrophobicContact CG1-CG 4.12Å; V80-E102 HydrophobicContact CG2-CG 4.01Å; D100-E102 PolarHBondContact O-N 3.4Å; E102-H104 VanDerWaalsContact C-N 3.28Å; E102-H104 PolarHBondContact O-N 3.08Å; E102-R105 HydrophobicContact CB-CG 4.17Å; E102-R105 PolarHBondContact N-O 2.6Å; E102-R105 IonicContact OE1-CZ 2.81Å; E102-R105 IonicContact OE1-NE 3.82Å; E102-R105 PolarHBondContact OE1-NE 3.39Å; E102-R105 IonicContact OE1-NH2 3.82Å; E102-R105 PolarHBondContact OE1-NH2 2.76Å; E102-R105 IonicContact OE2-CZ 2.63Å; E102-R105 VanDerWaalsContact OE2-CZ 3.31Å; E102-R105 IonicContact OE2-NE 2.73Å; E102-R105 IonicContact OE2-NH1 3.89Å; E102-R105 IonicContact OE2-NH2 2.94Å; E102-R105 PolarHBondContact OE2-NH2 3.05Å; E102-R144 PolarHBondContact O-NH2 2.83Å
103	R	88.7	Confident	93	Very high	140 Å²	140	49.5 Å²	49.5	53%	0.528	27%	0.269	S	S	.	.	S	Bend	trans	-53.8	-42.2	179.9	-166.2	177	-67.2	176.3	-0.4	113.3	Y126 R144	R103-Y126 WeakPolarHBondContact CD-OH 3.49Å; R103-R144 PolarHBondContact O-NE 3.38Å
104	H	89.5	Confident	92.9	Very high	68 Å²	68	54.3 Å²	54.3	32%	0.315	29%	0.286	S	S	.	.	S	Bend	trans	-120.5	-7.7	-171.6	-57.1	142.3	0	0	0	115.4	E102 Y126	E102-H104 VanDerWaalsContact C-N 3.28Å; E102-H104 PolarHBondContact O-N 3.08Å; H104-Y126 AromaticContact NE2-CE1 3.39Å; H104-Y126 WeakPolarHBondContact NE2-CE1 3.16Å; H104-Y126 AromaticContact NE2-CZ 3.41Å; H104-Y126 PolarHBondContact NE2-OH 2.99Å
105	R	95.2	Very high	92.9	Very high	93 Å²	93	53.6 Å²	53.6	35%	0.351	28%	0.282	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-149.8	156.4	-170.8	73	178.7	-179	-103	-14.3	112.1	E102 D107 T118 F120 R144	E102-R105 HydrophobicContact CB-CG 4.17Å; E102-R105 PolarHBondContact N-O 2.6Å; E102-R105 IonicContact OE1-CZ 2.81Å; E102-R105 IonicContact OE1-NE 3.82Å; E102-R105 PolarHBondContact OE1-NE 3.39Å; E102-R105 IonicContact OE1-NH2 3.82Å; E102-R105 PolarHBondContact OE1-NH2 2.76Å; E102-R105 IonicContact OE2-CZ 2.63Å; E102-R105 VanDerWaalsContact OE2-CZ 3.31Å; E102-R105 IonicContact OE2-NE 2.73Å; E102-R105 IonicContact OE2-NH1 3.89Å; E102-R105 IonicContact OE2-NH2 2.94Å; E102-R105 PolarHBondContact OE2-NH2 3.05Å; R105-D107 WeakPolarHBondContact CD-OD1 3.05Å; R105-D107 IonicContact CZ-OD2 2.74Å; R105-D107 IonicContact NE-OD1 3.34Å; R105-D107 IonicContact NE-OD2 2.6Å; R105-D107 PolarHBondContact NE-OD2 2.02Å; R105-D107 IonicContact NH2-OD2 3.4Å; R105-T118 HydrophobicContact CB-CG2 3.58Å; R105-T118 HydrophobicContact CG-CG2 4.18Å; R105-F120 HydrophobicContact CB-CD1 3.68Å; R105-F120 HydrophobicContact CB-CE1 3.48Å; R105-F120 VanDerWaalsContact CB-CE1 3.48Å; R105-F120 HydrophobicContact CB-CZ 4.42Å; R105-F120 HydrophobicContact CG-CE1 4.42Å; R105-R144 PolarHBondContact O-NH2 2.04Å
106	D	97.4	Very high	92.9	Very high	1 Å²	1	50.1 Å²	50.1	1%	0.005	27%	0.266	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-117	100.7	172.1	-41.1	-23.8	0	0	0	107.7	I99 D100 F101 T118 I119 V142 R144 N161	I99-D106 HydrophobicContact CG2-CB 3.8Å; D100-D106 CarbonylContact O-C 3.49Å; D100-D106 WeakPolarHBondContact O-CA 3.42Å; F101-D106 HydrophobicContact CD1-CB 3.9Å; F101-D106 WeakPolarHBondContact CD1-OD1 3.38Å; F101-D106 HydrophobicContact CE1-CB 4.01Å; D106-T118 CarbonylContact O-C 3.52Å; D106-T118 VanDerWaalsContact O-CA 3.26Å; D106-T118 WeakPolarHBondContact O-CA 3.35Å; D106-I119 HydrophobicContact CB-CB 4.12Å; D106-I119 PolarHBondContact N-O 3.1Å; D106-I119 PolarHBondContact O-N 2.95Å; D106-V142 WeakPolarHBondContact OD1-CG1 3.44Å; D106-R144 IonicContact OD1-CZ 3.03Å; D106-R144 VanDerWaalsContact OD1-CZ 3.24Å; D106-R144 IonicContact OD1-NH1 3.5Å; D106-R144 PolarHBondContact OD1-NH1 3.42Å; D106-R144 IonicContact OD1-NH2 3.66Å; D106-R144 PolarHBondContact OD1-NH2 3.33Å; D106-R144 IonicContact OD2-NH1 2.64Å; D106-N161 VanDerWaalsContact OD2-CB 3.32Å; D106-N161 WeakPolarHBondContact OD2-CB 3.24Å; D106-N161 PolarHBondContact OD2-ND2 3.34Å
107	D	97.4	Very high	92.9	Very high	10 Å²	10	50 Å²	50	5%	0.053	27%	0.265	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-83.1	124.3	-178.7	-73.8	-28.4	0	0	0	110	I99 D100 R105 Y109 P115 T118	I99-D107 CarbonylContact C-O 3.49Å; I99-D107 VanDerWaalsContact CA-O 3.27Å; I99-D107 WeakPolarHBondContact CA-O 3.09Å; D100-D107 HydrophobicContact CB-CB 4.39Å; D100-D107 PolarHBondContact N-O 2.83Å; D100-D107 PolarHBondContact O-N 3.48Å; R105-D107 WeakPolarHBondContact CD-OD1 3.05Å; R105-D107 IonicContact CZ-OD2 2.74Å; R105-D107 IonicContact NE-OD1 3.34Å; R105-D107 IonicContact NE-OD2 2.6Å; R105-D107 PolarHBondContact NE-OD2 2.02Å; R105-D107 IonicContact NH2-OD2 3.4Å; D107-Y109 HydrophobicContact CB-CD2 4.47Å; D107-Y109 HydrophobicContact CB-CE2 3.63Å; D107-Y109 VanDerWaalsContact O-CD2 3.27Å; D107-Y109 WeakPolarHBondContact O-CD2 3.36Å; D107-Y109 WeakPolarHBondContact O-CE2 3.34Å; D107-P115 HydrophobicContact CB-CB 4.41Å; D107-P115 HydrophobicContact CB-CG 4.43Å; D107-T118 WeakPolarHBondContact OD1-CB 3.1Å; D107-T118 WeakPolarHBondContact OD1-CG2 3.49Å; D107-T118 PolarHBondContact OD1-OG1 3.43Å
108	V	97.6	Very high	93	Very high	0 Å²	0	47.7 Å²	47.7	0%	0	25%	0.251	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-99.4	129	-173.5	-171.3	0	0	0	0	109.2	Y91 V96 I99 P115 I116 G117	Y91-V108 HydrophobicContact CD1-CB 4.28Å; Y91-V108 HydrophobicContact CD1-CG1 4.21Å; Y91-V108 HydrophobicContact CD1-CG2 4.41Å; Y91-V108 HydrophobicContact CD2-CG2 4.28Å; Y91-V108 HydrophobicContact CE1-CG2 4.43Å; Y91-V108 HydrophobicContact CE2-CG2 4.28Å; Y91-V108 HydrophobicContact CG-CB 4.4Å; Y91-V108 HydrophobicContact CG-CG1 3.98Å; Y91-V108 HydrophobicContact CG-CG2 4.34Å; V96-V108 HydrophobicContact CB-CG1 4.26Å; V96-V108 HydrophobicContact CG1-CG1 3.67Å; V96-V108 HydrophobicContact CG2-CG1 3.63Å; I99-V108 HydrophobicContact CG1-CG1 4.22Å; I99-V108 HydrophobicContact CG1-CG2 4.31Å; V108-P115 CarbonylContact O-C 3.44Å; V108-P115 VanDerWaalsContact O-CA 3.31Å; V108-P115 WeakPolarHBondContact O-CA 3.4Å; V108-I116 HydrophobicContact CB-CG1 4.19Å; V108-I116 HydrophobicContact CG1-CD1 4.06Å; V108-I116 HydrophobicContact CG1-CG1 4.03Å; V108-I116 WeakPolarHBondContact O-CG1 3.45Å; V108-I116 PolarHBondContact O-N 3.35Å; V108-G117 PolarHBondContact N-O 3.21Å
109	Y	96.6	Very high	93.1	Very high	47 Å²	47	44.9 Å²	44.9	18%	0.184	24%	0.238	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-119	152.2	-174.9	-67.3	-99.4	0	0	0	113.2	V96 V97 Q98 D100 D107 P115	V96-Y109 WeakPolarHBondContact CA-O 3.33Å; V97-Y109 PolarHBondContact N-O 2.95Å; Q98-Y109 PolarHBondContact O-N 2.84Å; D100-Y109 HydrophobicContact CB-CE2 3.84Å; D100-Y109 WeakPolarHBondContact OD2-CE2 3.16Å; D100-Y109 PolarHBondContact OD2-OH 3.04Å; D107-Y109 HydrophobicContact CB-CD2 4.47Å; D107-Y109 HydrophobicContact CB-CE2 3.63Å; D107-Y109 VanDerWaalsContact O-CD2 3.27Å; D107-Y109 WeakPolarHBondContact O-CD2 3.36Å; D107-Y109 WeakPolarHBondContact O-CE2 3.34Å; Y109-P115 HydrophobicContact CD1-CG 4.27Å; Y109-P115 HydrophobicContact CE1-CB 4.24Å; Y109-P115 VanDerWaalsContact CE1-CD 3.48Å; Y109-P115 HydrophobicContact CE1-CG 3.55Å; Y109-P115 HydrophobicContact CE2-CG 4.33Å
110	K	93.4	Very high	93	Very high	58 Å²	58	47 Å²	47	25%	0.252	25%	0.247	S	C	.	.			trans	-108.2	166.6	160.4	68.7	170.8	142.5	155	0	110.2	T94 G112 E113 I116	T94-K110 HydrophobicContact CG2-CB 3.8Å; T94-K110 HydrophobicContact CG2-CD 3.73Å; T94-K110 HydrophobicContact CG2-CG 4.28Å; K110-G112 PolarHBondContact O-N 2.93Å; K110-E113 HydrophobicContact CD-CB 4.35Å; K110-E113 HydrophobicContact CD-CG 4.24Å; K110-E113 VanDerWaalsContact CD-OE1 3.29Å; K110-E113 WeakPolarHBondContact CD-OE1 3.12Å; K110-E113 WeakPolarHBondContact CE-OE1 3.36Å; K110-E113 WeakPolarHBondContact CE-OE2 3.37Å; K110-E113 HydrophobicContact CG-CB 3.83Å; K110-E113 HydrophobicContact CG-CG 4.13Å; K110-E113 IonicContact NZ-OE1 3.94Å; K110-E113 PolarHBondContact NZ-OE1 3.26Å; K110-E113 IonicContact NZ-OE2 2.71Å; K110-E113 PolarHBondContact NZ-OE2 3.27Å; K110-E113 PolarHBondContact O-N 2.84Å; K110-I116 HydrophobicContact CB-CG2 4.06Å; K110-I116 HydrophobicContact CD-CG2 3.88Å; K110-I116 VanDerWaalsContact CE-CG2 3.44Å; K110-I116 HydrophobicContact CG-CG2 3.62Å
111	S	89.3	Confident	93	Very high	96 Å²	96	46.3 Å²	46.3	67%	0.671	24%	0.244	S	C	*	.	T	Hydrogen-bonded Turn	trans	-55.9	123.1	-175.5	-171.1	0	0	0	0	112.8	E113	S111-E113 VanDerWaalsContact C-N 3.32Å; S111-E113 PolarHBondContact O-N 3.47Å
112	G	79.7	Confident	92.9	Very high	85 Å²	85	47.6 Å²	47.6	88%	0.876	25%	0.249	S	C	*	.	T	Hydrogen-bonded Turn	trans	70.1	18.6	169.1	0	0	0	0	0	115.9	K110	K110-G112 PolarHBondContact O-N 2.93Å
113	E	77.4	Confident	92.9	Very high	104 Å²	104	45.6 Å²	45.6	49%	0.486	24%	0.24	S	C	.	.	S	Bend	trans	-131.1	175	-173.5	-64.2	-165.2	-137.6	0	0	113.6	K110 S111	K110-E113 HydrophobicContact CD-CB 4.35Å; K110-E113 HydrophobicContact CD-CG 4.24Å; K110-E113 VanDerWaalsContact CD-OE1 3.29Å; K110-E113 WeakPolarHBondContact CD-OE1 3.12Å; K110-E113 WeakPolarHBondContact CE-OE1 3.36Å; K110-E113 WeakPolarHBondContact CE-OE2 3.37Å; K110-E113 HydrophobicContact CG-CB 3.83Å; K110-E113 HydrophobicContact CG-CG 4.13Å; K110-E113 IonicContact NZ-OE1 3.94Å; K110-E113 PolarHBondContact NZ-OE1 3.26Å; K110-E113 IonicContact NZ-OE2 2.71Å; K110-E113 PolarHBondContact NZ-OE2 3.27Å; K110-E113 PolarHBondContact O-N 2.84Å; S111-E113 VanDerWaalsContact C-N 3.32Å; S111-E113 PolarHBondContact O-N 3.47Å
114	L	87.8	Confident	93.2	Very high	138 Å²	138	42.3 Å²	42.3	72%	0.723	23%	0.23	S	C	*	.	S	Bend	trans	-60	162.9	166.4	-66	173.6	0	0	0	111.4	I116	L114-I116 PolarHBondContact O-N 3.36Å
115	P	92.4	Very high	93.2	Very high	32 Å²	32	45.1 Å²	45.1	21%	0.208	25%	0.248	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-50.3	138.8	170.5	-21.3	28.1	0	0	0	110.9	D107 V108 Y109 L192	D107-P115 HydrophobicContact CB-CB 4.41Å; D107-P115 HydrophobicContact CB-CG 4.43Å; V108-P115 CarbonylContact O-C 3.44Å; V108-P115 VanDerWaalsContact O-CA 3.31Å; V108-P115 WeakPolarHBondContact O-CA 3.4Å; Y109-P115 HydrophobicContact CD1-CG 4.27Å; Y109-P115 HydrophobicContact CE1-CB 4.24Å; Y109-P115 VanDerWaalsContact CE1-CD 3.48Å; Y109-P115 HydrophobicContact CE1-CG 3.55Å; Y109-P115 HydrophobicContact CE2-CG 4.33Å; P115-L192 WeakPolarHBondContact O-CD1 3.5Å
116	I	94.3	Very high	93.1	Very high	13 Å²	13	43.1 Å²	43.1	7%	0.067	24%	0.241	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-91.4	-5.6	173.8	56.8	164.2	0	0	0	112.2	Y91 T94 V108 K110 L114 L192	Y91-I116 HydrophobicContact CD1-CD1 4.32Å; Y91-I116 HydrophobicContact CD1-CG1 4.44Å; T94-I116 HydrophobicContact CG2-CD1 3.79Å; T94-I116 HydrophobicContact CG2-CG2 4.22Å; V108-I116 HydrophobicContact CB-CG1 4.19Å; V108-I116 HydrophobicContact CG1-CD1 4.06Å; V108-I116 HydrophobicContact CG1-CG1 4.03Å; V108-I116 WeakPolarHBondContact O-CG1 3.45Å; V108-I116 PolarHBondContact O-N 3.35Å; K110-I116 HydrophobicContact CB-CG2 4.06Å; K110-I116 HydrophobicContact CD-CG2 3.88Å; K110-I116 VanDerWaalsContact CE-CG2 3.44Å; K110-I116 HydrophobicContact CG-CG2 3.62Å; L114-I116 PolarHBondContact O-N 3.36Å; I116-L192 PolarHBondContact O-N 3.07Å
117	G	96	Very high	93	Very high	0 Å²	0	48.9 Å²	48.9	0%	0	27%	0.266	C	S	.	.	E	Extended strand (participates in β ladder)	trans	162	-177.2	178.5	0	0	0	0	0	111.2	V108 Y190	V108-G117 PolarHBondContact N-O 3.21Å; G117-Y190 CarbonylContact C-O 3.55Å; G117-Y190 WeakPolarHBondContact CA-O 3.42Å
118	T	97.4	Very high	92.8	Very high	0 Å²	0	55.1 Å²	55.1	0%	0	29%	0.292	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-146.2	149.8	-175.3	-53.2	0	0	0	0	110.3	Y91 R105 D106 D107 F120 Y190	Y91-T118 PolarHBondContact OH-O 3.26Å; Y91-T118 VanDerWaalsContact OH-O 3.06Å; R105-T118 HydrophobicContact CB-CG2 3.58Å; R105-T118 HydrophobicContact CG-CG2 4.18Å; D106-T118 CarbonylContact O-C 3.52Å; D106-T118 VanDerWaalsContact O-CA 3.26Å; D106-T118 WeakPolarHBondContact O-CA 3.35Å; D107-T118 WeakPolarHBondContact OD1-CB 3.1Å; D107-T118 WeakPolarHBondContact OD1-CG2 3.49Å; D107-T118 PolarHBondContact OD1-OG1 3.43Å; T118-F120 HydrophobicContact CG2-CD1 4.32Å; T118-F120 HydrophobicContact CG2-CD2 4.25Å; T118-F120 HydrophobicContact CG2-CE1 4.09Å; T118-F120 HydrophobicContact CG2-CE2 4.07Å; T118-F120 HydrophobicContact CG2-CG 4.4Å; T118-F120 HydrophobicContact CG2-CZ 3.94Å; T118-Y190 HydrophobicContact CG2-CE1 4.13Å; T118-Y190 PolarHBondContact N-O 2.8Å; T118-Y190 PolarHBondContact O-N 3.3Å; T118-Y190 WeakPolarHBondContact OG1-CE1 3.13Å; T118-Y190 PolarHBondContact OG1-OH 3.35Å
119	I	98.2	Very high	92.6	Very high	1 Å²	1	56.4 Å²	56.4	1%	0.005	30%	0.301	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-106.9	121.4	167.5	-56.8	163.9	0	0	0	107.9	Y91 D106 N161 I163 V169 L171 I189	Y91-I119 HydrophobicContact CE2-CD1 4.34Å; Y91-I119 HydrophobicContact CE2-CG1 4.07Å; D106-I119 HydrophobicContact CB-CB 4.12Å; D106-I119 PolarHBondContact N-O 3.1Å; D106-I119 PolarHBondContact O-N 2.95Å; I119-N161 HydrophobicContact CG2-CB 4.44Å; I119-I163 HydrophobicContact CD1-CD1 3.71Å; I119-I163 HydrophobicContact CD1-CG1 3.96Å; I119-V169 HydrophobicContact CD1-CG1 3.73Å; I119-V169 HydrophobicContact CD1-CG2 4.08Å; I119-V169 HydrophobicContact CG1-CG1 4.28Å; I119-V169 HydrophobicContact CG2-CG1 4.36Å; I119-L171 HydrophobicContact CG2-CD2 3.79Å; I119-I189 HydrophobicContact CB-CG2 4.42Å; I119-I189 HydrophobicContact CG1-CG2 4.02Å; I119-I189 HydrophobicContact CG2-CG2 4.09Å
120	F	96.9	Very high	92.6	Very high	44 Å²	44	57.2 Å²	57.2	19%	0.193	31%	0.307	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-104.1	134.7	171.4	-70.2	-69.9	0	0	0	109.7	R105 T118 F122 S187 E188 Y190	R105-F120 HydrophobicContact CB-CD1 3.68Å; R105-F120 HydrophobicContact CB-CE1 3.48Å; R105-F120 VanDerWaalsContact CB-CE1 3.48Å; R105-F120 HydrophobicContact CB-CZ 4.42Å; R105-F120 HydrophobicContact CG-CE1 4.42Å; T118-F120 HydrophobicContact CG2-CD1 4.32Å; T118-F120 HydrophobicContact CG2-CD2 4.25Å; T118-F120 HydrophobicContact CG2-CE1 4.09Å; T118-F120 HydrophobicContact CG2-CE2 4.07Å; T118-F120 HydrophobicContact CG2-CG 4.4Å; T118-F120 HydrophobicContact CG2-CZ 3.94Å; F120-F122 HydrophobicContact CB-CD1 4.42Å; F120-F122 HydrophobicContact CD1-CD1 4.42Å; F120-F122 HydrophobicContact CD1-CE1 4.32Å; F120-S187 CarbonylContact O-C 3.53Å; F120-S187 VanDerWaalsContact O-CA 3.29Å; F120-S187 WeakPolarHBondContact O-CA 3.42Å; F120-E188 HydrophobicContact CB-CG 3.78Å; F120-E188 HydrophobicContact CD2-CG 3.72Å; F120-E188 VanDerWaalsContact CD2-OE1 3.32Å; F120-E188 WeakPolarHBondContact CD2-OE1 2.98Å; F120-E188 HydrophobicContact CG-CG 4.22Å; F120-E188 PolarHBondContact N-O 2.95Å; F120-E188 PolarHBondContact O-N 2.81Å; F120-E188 VanDerWaalsContact O-O 3.09Å; F120-Y190 HydrophobicContact CD2-CD1 4.13Å; F120-Y190 HydrophobicContact CD2-CE1 4.17Å; F120-Y190 AromaticContact CE2-CD1 3.76Å; F120-Y190 HydrophobicContact CE2-CD1 3.76Å; F120-Y190 AromaticContact CE2-CE1 3.41Å; F120-Y190 HydrophobicContact CE2-CE1 3.41Å; F120-Y190 VanDerWaalsContact CE2-CE1 3.41Å; F120-Y190 HydrophobicContact CZ-CE1 4.12Å
121	N	96.8	Very high	92.7	Very high	0 Å²	0	54.8 Å²	54.8	0%	0	30%	0.297	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-158.2	86.1	171.4	-166.3	8.7	0	0	0	109.3	M159 T160 N161 L171 Y173 Q186 S187	N121-M159 PolarHBondContact OD1-SD 2.92Å; N121-T160 PolarHBondContact ND2-O 2.86Å; N121-N161 WeakPolarHBondContact CB-OD1 3.43Å; N121-N161 VanDerWaalsContact CG-OD1 3.27Å; N121-N161 PolarHBondContact ND2-OD1 2.91Å; N121-L171 HydrophobicContact CB-CD2 4.43Å; N121-Y173 VanDerWaalsContact OD1-CE1 3.25Å; N121-Y173 WeakPolarHBondContact OD1-CE1 3.3Å; N121-Q186 CarbonylContact C-O 3.6Å; N121-Q186 WeakPolarHBondContact CA-O 3.3Å; N121-S187 PolarHBondContact OD1-OG 2.88Å
122	F	94.3	Very high	93.1	Very high	27 Å²	27	53.9 Å²	53.9	12%	0.118	28%	0.279	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-146.3	164.2	-171.9	79.5	-78.7	0	0	0	112.9	F120 E124 F146 Q186	F120-F122 HydrophobicContact CB-CD1 4.42Å; F120-F122 HydrophobicContact CD1-CD1 4.42Å; F120-F122 HydrophobicContact CD1-CE1 4.32Å; F122-E124 HydrophobicContact CD2-CG 4.37Å; F122-E124 HydrophobicContact CE2-CG 3.53Å; F122-E124 HydrophobicContact CZ-CG 4.14Å; F122-F146 HydrophobicContact CB-CE1 4.35Å; F122-F146 HydrophobicContact CB-CZ 3.86Å; F122-Q186 HydrophobicContact CD1-CB 4.05Å; F122-Q186 HydrophobicContact CE1-CB 3.64Å; F122-Q186 HydrophobicContact CE1-CG 4.44Å; F122-Q186 VanDerWaalsContact CE1-OE1 3.23Å; F122-Q186 HydrophobicContact CZ-CB 4.07Å; F122-Q186 HydrophobicContact CZ-CG 4.43Å; F122-Q186 PolarHBondContact N-O 2.86Å; F122-Q186 PolarHBondContact O-N 2.9Å; F122-Q186 VanDerWaalsContact O-O 3.12Å
123	I	95.1	Very high	93.9	Very high	0 Å²	0	49.8 Å²	49.8	0%	0	24%	0.237	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-111.3	131	174.7	-58.6	-179.6	0	0	0	107.8	Y126 F146 I148 A157 M159 I176 I180 K184 L185	I123-Y126 WeakPolarHBondContact O-CD1 3.49Å; I123-F146 HydrophobicContact CB-CD2 4.3Å; I123-F146 HydrophobicContact CB-CG 4.25Å; I123-F146 HydrophobicContact CD1-CB 4.41Å; I123-F146 HydrophobicContact CD1-CD2 4Å; I123-F146 HydrophobicContact CD1-CG 4.4Å; I123-F146 HydrophobicContact CG1-CD2 4.03Å; I123-F146 HydrophobicContact CG1-CE2 4.33Å; I123-F146 HydrophobicContact CG1-CG 4.44Å; I123-I148 HydrophobicContact CD1-CD1 4.5Å; I123-I148 HydrophobicContact CG2-CG2 3.98Å; I123-A157 HydrophobicContact CD1-CB 3.37Å; I123-M159 HydrophobicContact CD1-CE 3.88Å; I123-M159 HydrophobicContact CD1-SD 4.33Å; I123-M159 HydrophobicContact CG1-CE 3.4Å; I123-M159 VanDerWaalsContact CG1-CE 3.4Å; I123-M159 HydrophobicContact CG1-SD 3.69Å; I123-I176 HydrophobicContact CD1-CD1 4.36Å; I123-I180 HydrophobicContact CD1-CD1 4.43Å; I123-I180 HydrophobicContact CG2-CD1 3.6Å; I123-K184 CarbonylContact C-O 3.57Å; I123-K184 VanDerWaalsContact CA-O 3.28Å; I123-K184 WeakPolarHBondContact CA-O 3.42Å; I123-L185 HydrophobicContact CD1-CD2 4.21Å; I123-L185 HydrophobicContact CG1-CD2 4.01Å
124	E	93.5	Very high	94.9	Very high	71 Å²	71	44.9 Å²	44.9	33%	0.332	21%	0.214	S	C	.	.	S	Bend	trans	-77	158.9	172.4	-73.7	-171.1	174.2	0	0	112.4	F122 Y126 K184 Q186	F122-E124 HydrophobicContact CD2-CG 4.37Å; F122-E124 HydrophobicContact CE2-CG 3.53Å; F122-E124 HydrophobicContact CZ-CG 4.14Å; E124-Y126 VanDerWaalsContact C-N 3.3Å; E124-Y126 PolarHBondContact O-N 2.92Å; E124-K184 HydrophobicContact CB-CB 4.28Å; E124-K184 PolarHBondContact N-O 3.32Å; E124-Q186 PolarHBondContact OE1-NE2 2.69Å
125	N	90.6	Very high	95.3	Very high	127 Å²	127	40 Å²	40	68%	0.679	19%	0.189	S	C	*	.	S	Bend	trans	58.6	34.3	174.4	-60.7	-45.2	0	0	0	115
126	Y	93.5	Very high	95.5	Very high	51 Å²	51	41.8 Å²	41.8	20%	0.2	19%	0.194	C	C	.	.			trans	-83.3	154.6	173.5	70.1	-86.8	0	0	0	111.9	R103 H104 I123 E124 K128 S129 F146	R103-Y126 WeakPolarHBondContact CD-OH 3.49Å; H104-Y126 AromaticContact NE2-CE1 3.39Å; H104-Y126 WeakPolarHBondContact NE2-CE1 3.16Å; H104-Y126 AromaticContact NE2-CZ 3.41Å; H104-Y126 PolarHBondContact NE2-OH 2.99Å; I123-Y126 WeakPolarHBondContact O-CD1 3.49Å; E124-Y126 VanDerWaalsContact C-N 3.3Å; E124-Y126 PolarHBondContact O-N 2.92Å; Y126-K128 WeakPolarHBondContact CD2-O 3.44Å; Y126-S129 VanDerWaalsContact CE2-OG 3.25Å; Y126-S129 WeakPolarHBondContact CE2-OG 2.97Å; Y126-S129 PolarHBondContact OH-OG 3.29Å; Y126-F146 AromaticContact CD1-CD1 3.95Å; Y126-F146 HydrophobicContact CD1-CD1 3.95Å; Y126-F146 HydrophobicContact CD1-CE1 4.32Å; Y126-F146 HydrophobicContact CD2-CD1 4.15Å; Y126-F146 HydrophobicContact CE1-CD1 4.36Å; Y126-F146 HydrophobicContact CE1-CE1 4.36Å; Y126-F146 AromaticContact CG-CD1 3.81Å; Y126-F146 HydrophobicContact CG-CD1 3.81Å
127	K	94.3	Very high	95.4	Very high	123 Å²	123	48.2 Å²	48.2	54%	0.535	22%	0.222	S	C	.	.	S	Bend	trans	-81	-46.4	178.4	-74	178.2	163.5	175.3	0	112.7	S147 D154	K127-S147 PolarHBondContact N-O 2.84Å; K127-D154 WeakPolarHBondContact CD-OD1 3.45Å; K127-D154 WeakPolarHBondContact CE-OD1 3.27Å; K127-D154 IonicContact NZ-OD1 3.13Å; K127-D154 PolarHBondContact NZ-OD1 2.78Å; K127-D154 IonicContact NZ-OD2 2.82Å; K127-D154 PolarHBondContact NZ-OD2 3.24Å
128	K	94	Very high	95.4	Very high	141 Å²	141	55.3 Å²	55.3	61%	0.613	26%	0.255	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-143.2	144	-179.8	-175.2	178.6	178	-175.5	0	109.6	Y126 S147	Y126-K128 WeakPolarHBondContact CD2-O 3.44Å; K128-S147 PolarHBondContact O-N 2.71Å
129	S	94.1	Very high	95.3	Very high	26 Å²	26	56.1 Å²	56.1	18%	0.182	26%	0.259	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-126	143.2	171.7	56.3	0	0	0	0	109.5	Y126 T145	Y126-S129 VanDerWaalsContact CE2-OG 3.25Å; Y126-S129 WeakPolarHBondContact CE2-OG 2.97Å; Y126-S129 PolarHBondContact OH-OG 3.29Å; S129-T145 CarbonylContact C-O 3.49Å; S129-T145 VanDerWaalsContact CA-O 3.3Å; S129-T145 WeakPolarHBondContact CA-O 3.26Å
130	E	94.7	Very high	95.3	Very high	64 Å²	64	56 Å²	56	30%	0.299	26%	0.259	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-129.8	131.2	169.1	-176.2	-177.2	-145	0	0	108.6	R132 T145	E130-R132 VanDerWaalsContact CD-CZ 3.46Å; E130-R132 IonicContact OE1-CZ 2.83Å; E130-R132 IonicContact OE1-NH1 2.62Å; E130-R132 PolarHBondContact OE1-NH1 3.1Å; E130-R132 VanDerWaalsContact OE1-NH1 3.12Å; E130-R132 IonicContact OE1-NH2 3.66Å; E130-R132 PolarHBondContact OE1-NH2 2.61Å; E130-R132 IonicContact OE2-CZ 3.14Å; E130-R132 IonicContact OE2-NH1 3.12Å; E130-R132 PolarHBondContact OE2-NH1 3.21Å; E130-R132 IonicContact OE2-NH2 3.56Å; E130-T145 PolarHBondContact N-O 2.84Å; E130-T145 PolarHBondContact O-N 2.84Å
131	S	96.3	Very high	95.3	Very high	7 Å²	7	54 Å²	54	5%	0.049	25%	0.25	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-119.9	133.5	-177.4	-60.8	0	0	0	0	110	I77 K143	I77-S131 PolarHBondContact N-O 3.36Å; S131-K143 WeakPolarHBondContact CA-O 3.42Å
132	R	96.9	Very high	95.4	Very high	77 Å²	77	54 Å²	54	29%	0.291	25%	0.25	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-127.9	135.6	174.2	-66.8	-168.8	173.8	78.8	4	111.4	F73 N75 E130 V142 K143	F73-R132 HydrophobicContact CB-CB 3.82Å; F73-R132 WeakPolarHBondContact CD1-O 3.21Å; F73-R132 WeakPolarHBondContact O-CB 3.48Å; F73-R132 WeakPolarHBondContact O-CD 3.46Å; N75-R132 CarbonylContact O-C 3.53Å; N75-R132 WeakPolarHBondContact O-CA 3.33Å; E130-R132 VanDerWaalsContact CD-CZ 3.46Å; E130-R132 IonicContact OE1-CZ 2.83Å; E130-R132 IonicContact OE1-NH1 2.62Å; E130-R132 PolarHBondContact OE1-NH1 3.1Å; E130-R132 VanDerWaalsContact OE1-NH1 3.12Å; E130-R132 IonicContact OE1-NH2 3.66Å; E130-R132 PolarHBondContact OE1-NH2 2.61Å; E130-R132 IonicContact OE2-CZ 3.14Å; E130-R132 IonicContact OE2-NH1 3.12Å; E130-R132 PolarHBondContact OE2-NH1 3.21Å; E130-R132 IonicContact OE2-NH2 3.56Å; R132-V142 CarbonylContact O-C 3.56Å; R132-V142 WeakPolarHBondContact O-CA 3.39Å; R132-K143 PolarHBondContact N-O 2.83Å; R132-K143 PolarHBondContact O-N 2.77Å
133	V	98.1	Very high	95.5	Very high	0 Å²	0	53.5 Å²	53.5	0%	0	25%	0.248	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-97.2	139	-179.8	178.8	0	0	0	0	110.3	N74 N75 I77 Y81 F101 D135 L140 G141 V142	N74-V133 PolarHBondContact N-O 2.85Å; N75-V133 HydrophobicContact CB-CB 4.11Å; N75-V133 PolarHBondContact N-O 2.92Å; N75-V133 PolarHBondContact O-N 2.98Å; I77-V133 HydrophobicContact CD1-CG2 3.59Å; I77-V133 HydrophobicContact CG1-CG2 3.68Å; Y81-V133 HydrophobicContact CD1-CB 4.15Å; Y81-V133 HydrophobicContact CD1-CG1 3.8Å; Y81-V133 HydrophobicContact CD1-CG2 3.97Å; Y81-V133 HydrophobicContact CD2-CG2 4.45Å; Y81-V133 HydrophobicContact CE1-CB 4.31Å; Y81-V133 HydrophobicContact CE1-CG1 3.72Å; Y81-V133 HydrophobicContact CG-CB 4.27Å; Y81-V133 HydrophobicContact CG-CG1 4.42Å; Y81-V133 HydrophobicContact CG-CG2 3.87Å; F101-V133 HydrophobicContact CB-CG2 4.02Å; F101-V133 HydrophobicContact CD2-CG1 4.12Å; F101-V133 HydrophobicContact CD2-CG2 3.98Å; F101-V133 HydrophobicContact CE2-CG1 4.14Å; F101-V133 HydrophobicContact CG-CG2 4.03Å; V133-D135 HydrophobicContact CG1-CB 4.22Å; V133-L140 HydrophobicContact CG1-CD1 4.38Å; V133-G141 CarbonylContact C-O 3.57Å; V133-G141 VanDerWaalsContact CA-O 3.32Å; V133-G141 WeakPolarHBondContact CA-O 3.36Å; V133-G141 WeakPolarHBondContact CG1-O 3.39Å; V133-V142 HydrophobicContact CG2-CB 4.34Å; V133-V142 HydrophobicContact CG2-CG2 4.24Å
134	L	97.7	Very high	95.6	Very high	0 Å²	0	53.5 Å²	53.5	0%	0	25%	0.248	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-101.5	116.2	161.3	179.2	160.5	0	0	0	106.6	V68 R72 F73 E136 L139 L140 G141	V68-L134 HydrophobicContact CG1-CD1 3.49Å; V68-L134 VanDerWaalsContact CG1-CD1 3.49Å; R72-L134 HydrophobicContact CB-CD1 3.71Å; R72-L134 HydrophobicContact CB-CG 4.49Å; F73-L134 HydrophobicContact CD1-CB 3.56Å; F73-L134 HydrophobicContact CE1-CB 3.69Å; F73-L134 HydrophobicContact CE1-CD1 4.46Å; F73-L134 HydrophobicContact CE2-CD1 4.33Å; F73-L134 HydrophobicContact CG-CB 4.09Å; F73-L134 HydrophobicContact CZ-CB 4.3Å; F73-L134 HydrophobicContact CZ-CD1 4.26Å; L134-E136 HydrophobicContact CD2-CB 4.02Å; L134-E136 HydrophobicContact CD2-CG 3.87Å; L134-E136 HydrophobicContact CG-CG 4.17Å; L134-L139 HydrophobicContact CD1-CD2 4.32Å; L134-L139 HydrophobicContact CD2-CB 3.85Å; L134-L139 HydrophobicContact CD2-CD2 4.19Å; L134-L139 HydrophobicContact CD2-CG 3.98Å; L134-L139 WeakPolarHBondContact CD2-O 3.27Å; L134-L140 CarbonylContact O-C 3.53Å; L134-L140 WeakPolarHBondContact O-CA 3.49Å; L134-L140 WeakPolarHBondContact O-CD1 3.41Å; L134-G141 PolarHBondContact N-O 3.45Å; L134-G141 PolarHBondContact O-N 3.25Å
135	D	96.5	Very high	95.8	Very high	37 Å²	37	51.4 Å²	51.4	20%	0.198	24%	0.24	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-125.7	95.2	176.8	-170.4	-20.1	0	0	0	108.5	Y81 V133 L140	Y81-D135 HydrophobicContact CE1-CB 4.28Å; Y81-D135 PolarHBondContact OH-OD2 2.84Å; V133-D135 HydrophobicContact CG1-CB 4.22Å; D135-L140 HydrophobicContact CB-CD1 3.73Å
136	E	95.4	Very high	96	Very high	68 Å²	68	45.3 Å²	45.3	32%	0.318	21%	0.208	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-129.7	165.4	-176.5	-65	-173.5	-148.6	0	0	111.5	R72 L134 E138 L139	R72-E136 IonicContact CZ-OE1 3.69Å; R72-E136 IonicContact CZ-OE2 3.62Å; R72-E136 IonicContact NE-OE1 3.51Å; R72-E136 PolarHBondContact NE-OE1 2.73Å; R72-E136 IonicContact NE-OE2 2.77Å; R72-E136 IonicContact NH2-OE1 3.68Å; R72-E136 PolarHBondContact NH2-OE1 2.82Å; R72-E136 IonicContact NH2-OE2 2.63Å; R72-E136 PolarHBondContact NH2-OE2 3.45Å; L134-E136 HydrophobicContact CD2-CB 4.02Å; L134-E136 HydrophobicContact CD2-CG 3.87Å; L134-E136 HydrophobicContact CG-CG 4.17Å; E136-E138 PolarHBondContact O-N 3.06Å; E136-E138 VanDerWaalsContact O-N 3.09Å; E136-L139 CarbonylContact C-O 3.56Å; E136-L139 PolarHBondContact N-O 2.99Å; E136-L139 PolarHBondContact O-N 2.77Å
137	K	94.2	Very high	96.2	Very high	148 Å²	148	44.7 Å²	44.7	64%	0.643	21%	0.21	S	C	*	.	T	Hydrogen-bonded Turn	trans	-57.5	-30.6	-174.5	-172.5	179.7	176.8	-171.2	0	114.3	F87	F87-K137 WeakPolarHBondContact CD1-O 3.31Å
138	E	94.1	Very high	96.1	Very high	149 Å²	149	39.1 Å²	39.1	70%	0.696	19%	0.186	S	C	*	.	T	Hydrogen-bonded Turn	trans	-119.2	3.2	-174.6	-62.1	-172.3	162.1	0	0	113.2	E136 P165	E136-E138 PolarHBondContact O-N 3.06Å; E136-E138 VanDerWaalsContact O-N 3.09Å; E138-P165 VanDerWaalsContact O-CD 3.24Å; E138-P165 WeakPolarHBondContact O-CD 3.27Å; E138-P165 WeakPolarHBondContact O-CG 3.4Å
139	L	96.2	Very high	96	Very high	17 Å²	17	36.4 Å²	36.4	9%	0.089	18%	0.179	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-159.6	137.2	-176.9	-165.6	63	0	0	0	110.5	V68 L134 E136 L162	V68-L139 HydrophobicContact CG2-CD2 3.52Å; L134-L139 HydrophobicContact CD1-CD2 4.32Å; L134-L139 HydrophobicContact CD2-CB 3.85Å; L134-L139 HydrophobicContact CD2-CD2 4.19Å; L134-L139 HydrophobicContact CD2-CG 3.98Å; L134-L139 WeakPolarHBondContact CD2-O 3.27Å; E136-L139 CarbonylContact C-O 3.56Å; E136-L139 PolarHBondContact N-O 2.99Å; E136-L139 PolarHBondContact O-N 2.77Å; L139-L162 HydrophobicContact CD1-CB 4.3Å; L139-L162 HydrophobicContact CD1-CD2 4.32Å; L139-L162 HydrophobicContact CD2-CD2 4Å; L139-L162 HydrophobicContact CG-CD2 4.07Å
140	L	98.1	Very high	95.5	Very high	0 Å²	0	35.8 Å²	35.8	0%	0	17%	0.174	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-133.2	138.8	175.7	-178.1	66.7	0	0	0	108.9	P85 F87 I99 F101 V133 L134 D135 I163	P85-L140 HydrophobicContact CB-CD2 4.47Å; P85-L140 HydrophobicContact CG-CD2 3.78Å; F87-L140 HydrophobicContact CE1-CB 4.22Å; F87-L140 HydrophobicContact CZ-CB 3.98Å; I99-L140 HydrophobicContact CD1-CD2 3.53Å; F101-L140 HydrophobicContact CE2-CD1 3.93Å; F101-L140 HydrophobicContact CE2-CD2 4.14Å; F101-L140 HydrophobicContact CE2-CG 3.93Å; F101-L140 HydrophobicContact CZ-CD1 4.27Å; F101-L140 HydrophobicContact CZ-CD2 4.17Å; F101-L140 HydrophobicContact CZ-CG 3.83Å; V133-L140 HydrophobicContact CG1-CD1 4.38Å; L134-L140 CarbonylContact O-C 3.53Å; L134-L140 WeakPolarHBondContact O-CA 3.49Å; L134-L140 WeakPolarHBondContact O-CD1 3.41Å; D135-L140 HydrophobicContact CB-CD1 3.73Å; L140-I163 PolarHBondContact N-O 3.02Å; L140-I163 PolarHBondContact O-N 2.97Å
141	G	97.9	Very high	94.9	Very high	1 Å²	1	39 Å²	39	1%	0.01	19%	0.193	C	C	.	.	E	Extended strand (participates in β ladder)	trans	175	179.3	176.9	0	0	0	0	0	114.8	V133 L134 N161	V133-G141 CarbonylContact C-O 3.57Å; V133-G141 VanDerWaalsContact CA-O 3.32Å; V133-G141 WeakPolarHBondContact CA-O 3.36Å; V133-G141 WeakPolarHBondContact CG1-O 3.39Å; L134-G141 PolarHBondContact N-O 3.45Å; L134-G141 PolarHBondContact O-N 3.25Å; G141-N161 CarbonylContact C-O 3.54Å; G141-N161 WeakPolarHBondContact CA-O 3.48Å
142	V	98	Very high	94.1	Very high	0 Å²	0	45.4 Å²	45.4	0%	0	23%	0.231	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-133.5	140.7	-175.4	61.2	0	0	0	0	110.6	I77 F101 D106 R132 V133 R144 T160 N161	I77-V142 HydrophobicContact CD1-CG2 3.81Å; F101-V142 HydrophobicContact CD1-CB 3.63Å; F101-V142 HydrophobicContact CD1-CG1 3.49Å; F101-V142 VanDerWaalsContact CD1-CG1 3.49Å; F101-V142 HydrophobicContact CE1-CB 4.06Å; F101-V142 HydrophobicContact CE1-CG1 3.86Å; F101-V142 HydrophobicContact CG-CB 4.24Å; F101-V142 HydrophobicContact CG-CG1 4.48Å; D106-V142 WeakPolarHBondContact OD1-CG1 3.44Å; R132-V142 CarbonylContact O-C 3.56Å; R132-V142 WeakPolarHBondContact O-CA 3.39Å; V133-V142 HydrophobicContact CG2-CB 4.34Å; V133-V142 HydrophobicContact CG2-CG2 4.24Å; V142-R144 HydrophobicContact CG2-CG 4.31Å; V142-T160 CarbonylContact O-C 3.57Å; V142-T160 WeakPolarHBondContact O-CA 3.18Å; V142-N161 HydrophobicContact CG1-CB 4.05Å; V142-N161 PolarHBondContact N-O 3.19Å; V142-N161 PolarHBondContact O-N 2.89Å
143	K	97.3	Very high	93.6	Very high	16 Å²	16	44.5 Å²	44.5	7%	0.07	24%	0.237	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-113.2	121.1	170.9	-178.5	-178.2	73.8	-171.1	0	108.9	S70 F73 S131 R132 T160	S70-K143 PolarHBondContact O-NZ 2.96Å; S70-K143 PolarHBondContact OG-NZ 3.43Å; S70-K143 VanDerWaalsContact OG-NZ 3.14Å; F73-K143 HydrophobicContact CB-CB 4.32Å; F73-K143 HydrophobicContact CD1-CB 3.6Å; F73-K143 HydrophobicContact CD2-CB 4.16Å; F73-K143 HydrophobicContact CD2-CD 4.18Å; F73-K143 HydrophobicContact CE1-CB 3.85Å; F73-K143 HydrophobicContact CE2-CB 4.37Å; F73-K143 HydrophobicContact CG-CB 3.76Å; F73-K143 HydrophobicContact CG-CD 4.44Å; F73-K143 HydrophobicContact CZ-CB 4.23Å; S131-K143 WeakPolarHBondContact CA-O 3.42Å; R132-K143 PolarHBondContact N-O 2.83Å; R132-K143 PolarHBondContact O-N 2.77Å; K143-T160 HydrophobicContact CB-CG2 4.42Å
144	R	97	Very high	93.2	Very high	0 Å²	0	49.2 Å²	49.2	0%	0	26%	0.262	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-104.1	128.5	176.9	-59.2	-175.2	167.4	82.8	6.7	109.5	E102 R103 R105 D106 V142 F146 K158 M159 N161	E102-R144 PolarHBondContact O-NH2 2.83Å; R103-R144 PolarHBondContact O-NE 3.38Å; R105-R144 PolarHBondContact O-NH2 2.04Å; D106-R144 IonicContact OD1-CZ 3.03Å; D106-R144 VanDerWaalsContact OD1-CZ 3.24Å; D106-R144 IonicContact OD1-NH1 3.5Å; D106-R144 PolarHBondContact OD1-NH1 3.42Å; D106-R144 IonicContact OD1-NH2 3.66Å; D106-R144 PolarHBondContact OD1-NH2 3.33Å; D106-R144 IonicContact OD2-NH1 2.64Å; V142-R144 HydrophobicContact CG2-CG 4.31Å; R144-F146 HydrophobicContact CB-CD2 4.41Å; R144-F146 HydrophobicContact CB-CE1 4.48Å; R144-F146 HydrophobicContact CB-CE2 3.58Å; R144-F146 HydrophobicContact CB-CZ 3.62Å; R144-F146 HydrophobicContact CG-CZ 4.35Å; R144-K158 CarbonylContact O-C 3.58Å; R144-K158 VanDerWaalsContact O-CA 3.25Å; R144-K158 WeakPolarHBondContact O-CA 3.26Å; R144-M159 PolarHBondContact N-O 2.86Å; R144-M159 PolarHBondContact O-N 2.81Å; R144-N161 PolarHBondContact NH1-ND2 3.44Å
145	T	96.3	Very high	93	Very high	27 Å²	27	51.2 Å²	51.2	17%	0.166	27%	0.274	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-112.1	117	174.1	-54.9	0	0	0	0	108.5	S129 E130 A157 K158	S129-T145 CarbonylContact C-O 3.49Å; S129-T145 VanDerWaalsContact CA-O 3.3Å; S129-T145 WeakPolarHBondContact CA-O 3.26Å; E130-T145 PolarHBondContact N-O 2.84Å; E130-T145 PolarHBondContact O-N 2.84Å; T145-A157 CarbonylContact C-O 3.59Å; T145-A157 WeakPolarHBondContact CA-O 3.49Å; T145-K158 HydrophobicContact CG2-CG 4.12Å
146	F	96.3	Very high	93	Very high	0 Å²	0	52.2 Å²	52.2	0%	0	28%	0.282	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-104.7	127.5	-179.4	-57	-82.7	0	0	0	109.9	F122 I123 Y126 R144 I148 T156 A157 M159	F122-F146 HydrophobicContact CB-CE1 4.35Å; F122-F146 HydrophobicContact CB-CZ 3.86Å; I123-F146 HydrophobicContact CB-CD2 4.3Å; I123-F146 HydrophobicContact CB-CG 4.25Å; I123-F146 HydrophobicContact CD1-CB 4.41Å; I123-F146 HydrophobicContact CD1-CD2 4Å; I123-F146 HydrophobicContact CD1-CG 4.4Å; I123-F146 HydrophobicContact CG1-CD2 4.03Å; I123-F146 HydrophobicContact CG1-CE2 4.33Å; I123-F146 HydrophobicContact CG1-CG 4.44Å; Y126-F146 AromaticContact CD1-CD1 3.95Å; Y126-F146 HydrophobicContact CD1-CD1 3.95Å; Y126-F146 HydrophobicContact CD1-CE1 4.32Å; Y126-F146 HydrophobicContact CD2-CD1 4.15Å; Y126-F146 HydrophobicContact CE1-CD1 4.36Å; Y126-F146 HydrophobicContact CE1-CE1 4.36Å; Y126-F146 AromaticContact CG-CD1 3.81Å; Y126-F146 HydrophobicContact CG-CD1 3.81Å; R144-F146 HydrophobicContact CB-CD2 4.41Å; R144-F146 HydrophobicContact CB-CE1 4.48Å; R144-F146 HydrophobicContact CB-CE2 3.58Å; R144-F146 HydrophobicContact CB-CZ 3.62Å; R144-F146 HydrophobicContact CG-CZ 4.35Å; F146-I148 HydrophobicContact CB-CG2 4.2Å; F146-T156 CarbonylContact O-C 3.54Å; F146-T156 VanDerWaalsContact O-CA 3.23Å; F146-T156 WeakPolarHBondContact O-CA 3.32Å; F146-A157 PolarHBondContact N-O 3.26Å; F146-A157 PolarHBondContact O-N 2.97Å; F146-M159 HydrophobicContact CE2-CB 4.12Å; F146-M159 HydrophobicContact CE2-CG 4.12Å; F146-M159 HydrophobicContact CE2-SD 3.97Å
147	S	96.1	Very high	93	Very high	37 Å²	37	49 Å²	49	26%	0.259	27%	0.267	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-87.8	117.4	163.6	-57.9	0	0	0	0	108.7	K127 K128 V155	K127-S147 PolarHBondContact N-O 2.84Å; K128-S147 PolarHBondContact O-N 2.71Å; S147-V155 WeakPolarHBondContact CA-O 3.39Å
148	I	93.9	Very high	93.2	Very high	6 Å²	6	44.4 Å²	44.4	3%	0.031	25%	0.247	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-125.5	144.7	-174.8	49.4	172.8	0	0	0	109.9	I123 F146 V150 V155 A157 P177 I180	I123-I148 HydrophobicContact CD1-CD1 4.5Å; I123-I148 HydrophobicContact CG2-CG2 3.98Å; F146-I148 HydrophobicContact CB-CG2 4.2Å; I148-V150 HydrophobicContact CD1-CG2 4.18Å; I148-V150 HydrophobicContact CG1-CG2 4.37Å; I148-V155 HydrophobicContact CD1-CG2 3.96Å; I148-V155 HydrophobicContact CG1-CG2 3.63Å; I148-V155 WeakPolarHBondContact CG1-O 3.2Å; I148-V155 PolarHBondContact N-O 3.28Å; I148-V155 PolarHBondContact O-N 2.03Å; I148-A157 HydrophobicContact CD1-CB 3.88Å; I148-P177 HydrophobicContact CD1-CG 3.53Å; I148-P177 HydrophobicContact CG1-CG 4.47Å; I148-I180 HydrophobicContact CD1-CD1 3.87Å
149	N	90.1	Very high	93.4	Very high	84 Å²	84	37.3 Å²	37.3	45%	0.449	21%	0.214	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-91.1	120.5	173.6	-173.6	-30.3	0	0	0	109	V152 S153	N149-V152 PolarHBondContact OD1-N 2.71Å; N149-S153 WeakPolarHBondContact CA-O 3.39Å
150	V	84	Confident	93.4	Very high	13 Å²	13	36.6 Å²	36.6	8%	0.079	21%	0.21	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-128.2	119.8	174.9	-178.9	0	0	0	0	108	I148 V152 S153 V155 P177 E179	I148-V150 HydrophobicContact CD1-CG2 4.18Å; I148-V150 HydrophobicContact CG1-CG2 4.37Å; V150-V152 VanDerWaalsContact C-N 3.32Å; V150-V152 PolarHBondContact O-N 2.81Å; V150-S153 PolarHBondContact N-O 2.78Å; V150-S153 PolarHBondContact O-N 2.85Å; V150-S153 PolarHBondContact O-OG 3.22Å; V150-V155 HydrophobicContact CB-CG2 4.15Å; V150-V155 HydrophobicContact CG2-CG2 3.76Å; V150-P177 HydrophobicContact CG2-CB 4.11Å; V150-P177 HydrophobicContact CG2-CG 4.1Å; V150-E179 HydrophobicContact CG1-CB 3.67Å; V150-E179 HydrophobicContact CG1-CG 4.42Å
151	N	82.9	Confident	93.5	Very high	131 Å²	131	36.7 Å²	36.7	70%	0.701	21%	0.211	S	C	*	.	T	Hydrogen-bonded Turn	trans	45.6	50.6	176.3	-64.7	-23.1	0	0	0	113.8	S153	N151-S153 PolarHBondContact O-N 3.33Å
152	V	78.6	Confident	93.5	Very high	142 Å²	142	36.8 Å²	36.8	86%	0.861	21%	0.211	S	C	*	.	T	Hydrogen-bonded Turn	trans	77.7	-6.7	178.3	-163.9	0	0	0	0	114.4	N149 V150	N149-V152 PolarHBondContact OD1-N 2.71Å; V150-V152 VanDerWaalsContact C-N 3.32Å; V150-V152 PolarHBondContact O-N 2.81Å
153	S	86.4	Confident	93.5	Very high	58 Å²	58	37.2 Å²	37.2	41%	0.406	21%	0.213	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-103.2	142.3	176.5	68.4	0	0	0	0	112.4	N149 V150 N151	N149-S153 WeakPolarHBondContact CA-O 3.39Å; V150-S153 PolarHBondContact N-O 2.78Å; V150-S153 PolarHBondContact O-N 2.85Å; V150-S153 PolarHBondContact O-OG 3.22Å; N151-S153 PolarHBondContact O-N 3.33Å
154	D	89.6	Confident	93.4	Very high	99 Å²	99	38.3 Å²	38.3	53%	0.529	22%	0.218	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-88.1	116.6	168.7	-77.1	-21.6	0	0	0	109.3	K127	K127-D154 WeakPolarHBondContact CD-OD1 3.45Å; K127-D154 WeakPolarHBondContact CE-OD1 3.27Å; K127-D154 IonicContact NZ-OD1 3.13Å; K127-D154 PolarHBondContact NZ-OD1 2.78Å; K127-D154 IonicContact NZ-OD2 2.82Å; K127-D154 PolarHBondContact NZ-OD2 3.24Å
155	V	94.5	Very high	93.2	Very high	42 Å²	42	41 Å²	41	26%	0.255	24%	0.236	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-119	158.4	178.3	-59.1	0	0	0	0	109.7	S147 I148 V150 P177	S147-V155 WeakPolarHBondContact CA-O 3.39Å; I148-V155 HydrophobicContact CD1-CG2 3.96Å; I148-V155 HydrophobicContact CG1-CG2 3.63Å; I148-V155 WeakPolarHBondContact CG1-O 3.2Å; I148-V155 PolarHBondContact N-O 3.28Å; I148-V155 PolarHBondContact O-N 2.03Å; V150-V155 HydrophobicContact CB-CG2 4.15Å; V150-V155 HydrophobicContact CG2-CG2 3.76Å; V155-P177 HydrophobicContact CB-CG 4.36Å; V155-P177 HydrophobicContact CG2-CB 4.25Å; V155-P177 HydrophobicContact CG2-CG 3.33Å
156	T	95.5	Very high	92.9	Very high	58 Å²	58	43.9 Å²	43.9	36%	0.356	25%	0.25	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-109	134.1	178.4	54.9	0	0	0	0	110.2	F146 N175	F146-T156 CarbonylContact O-C 3.54Å; F146-T156 VanDerWaalsContact O-CA 3.23Å; F146-T156 WeakPolarHBondContact O-CA 3.32Å; T156-N175 WeakPolarHBondContact O-CB 3.35Å; T156-N175 VanDerWaalsContact O-CG 3.29Å; T156-N175 PolarHBondContact O-ND2 3.17Å; T156-N175 PolarHBondContact OG1-ND2 3.35Å
157	A	97	Very high	92.7	Very high	0 Å²	0	44 Å²	44	0%	0	25%	0.252	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-119.3	144	172.8	0	0	0	0	0	109	I123 T145 F146 I148 N175 I176	I123-A157 HydrophobicContact CD1-CB 3.37Å; T145-A157 CarbonylContact C-O 3.59Å; T145-A157 WeakPolarHBondContact CA-O 3.49Å; F146-A157 PolarHBondContact N-O 3.26Å; F146-A157 PolarHBondContact O-N 2.97Å; I148-A157 HydrophobicContact CD1-CB 3.88Å; A157-N175 WeakPolarHBondContact CA-O 3.22Å; A157-I176 HydrophobicContact CB-CD1 3.94Å
158	K	97.2	Very high	92.7	Very high	52 Å²	52	43.6 Å²	43.6	23%	0.226	25%	0.245	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-123.9	134.7	-179.2	-57.6	178.7	-146.2	139.9	0	110.7	R144 T145 D174	R144-K158 CarbonylContact O-C 3.58Å; R144-K158 VanDerWaalsContact O-CA 3.25Å; R144-K158 WeakPolarHBondContact O-CA 3.26Å; T145-K158 HydrophobicContact CG2-CG 4.12Å; K158-D174 HydrophobicContact CB-CB 4.13Å; K158-D174 PolarHBondContact N-O 2.7Å; K158-D174 IonicContact NZ-OD2 3.79Å; K158-D174 PolarHBondContact NZ-OD2 3.17Å; K158-D174 PolarHBondContact O-N 3.02Å
159	M	97.8	Very high	92.9	Very high	0 Å²	0	43.4 Å²	43.4	0%	0	24%	0.244	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-129.3	128.6	176.9	-65.9	-177	158.3	0	0	108.7	N121 I123 R144 F146 F172 Y173 I176 L185 I211	N121-M159 PolarHBondContact OD1-SD 2.92Å; I123-M159 HydrophobicContact CD1-CE 3.88Å; I123-M159 HydrophobicContact CD1-SD 4.33Å; I123-M159 HydrophobicContact CG1-CE 3.4Å; I123-M159 VanDerWaalsContact CG1-CE 3.4Å; I123-M159 HydrophobicContact CG1-SD 3.69Å; R144-M159 PolarHBondContact N-O 2.86Å; R144-M159 PolarHBondContact O-N 2.81Å; F146-M159 HydrophobicContact CE2-CB 4.12Å; F146-M159 HydrophobicContact CE2-CG 4.12Å; F146-M159 HydrophobicContact CE2-SD 3.97Å; M159-F172 WeakPolarHBondContact CA-O 3.48Å; M159-Y173 HydrophobicContact CE-CD1 4.35Å; M159-Y173 HydrophobicContact CG-CD1 4.09Å; M159-I176 HydrophobicContact CE-CD1 4.1Å; M159-I176 HydrophobicContact CG-CD1 4.32Å; M159-L185 HydrophobicContact CE-CD2 3.98Å; M159-I211 HydrophobicContact CE-CG2 3.6Å
160	T	98	Very high	93.2	Very high	3 Å²	3	39.6 Å²	39.6	2%	0.018	22%	0.224	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-120.4	135.4	-176.5	-52.8	0	0	0	0	110	F73 N121 V142 K143 L162 L171 F172	F73-T160 HydrophobicContact CE1-CG2 3.9Å; F73-T160 HydrophobicContact CE2-CG2 4.3Å; F73-T160 HydrophobicContact CZ-CG2 3.43Å; F73-T160 VanDerWaalsContact CZ-CG2 3.43Å; N121-T160 PolarHBondContact ND2-O 2.86Å; V142-T160 CarbonylContact O-C 3.57Å; V142-T160 WeakPolarHBondContact O-CA 3.18Å; K143-T160 HydrophobicContact CB-CG2 4.42Å; T160-L162 HydrophobicContact CG2-CD2 4.35Å; T160-L162 HydrophobicContact CG2-CG 4.14Å; T160-L171 CarbonylContact O-C 3.55Å; T160-L171 VanDerWaalsContact O-CA 3.25Å; T160-L171 WeakPolarHBondContact O-CA 3.32Å; T160-F172 PolarHBondContact N-O 2.83Å; T160-F172 PolarHBondContact O-N 3.42Å
161	N	98.4	Very high	93.9	Very high	2 Å²	2	39 Å²	39	1%	0.011	22%	0.22	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-115.2	136.3	172.6	-59.4	-5.5	0	0	0	108.2	D106 I119 N121 G141 V142 R144 S170 L171	D106-N161 VanDerWaalsContact OD2-CB 3.32Å; D106-N161 WeakPolarHBondContact OD2-CB 3.24Å; D106-N161 PolarHBondContact OD2-ND2 3.34Å; I119-N161 HydrophobicContact CG2-CB 4.44Å; N121-N161 WeakPolarHBondContact CB-OD1 3.43Å; N121-N161 VanDerWaalsContact CG-OD1 3.27Å; N121-N161 PolarHBondContact ND2-OD1 2.91Å; G141-N161 CarbonylContact C-O 3.54Å; G141-N161 WeakPolarHBondContact CA-O 3.48Å; V142-N161 HydrophobicContact CG1-CB 4.05Å; V142-N161 PolarHBondContact N-O 3.19Å; V142-N161 PolarHBondContact O-N 2.89Å; R144-N161 PolarHBondContact NH1-ND2 3.44Å; N161-S170 CarbonylContact C-O 3.55Å; N161-S170 WeakPolarHBondContact CA-O 3.35Å; N161-L171 HydrophobicContact CB-CD2 4.2Å; N161-L171 VanDerWaalsContact OD1-CD2 3.3Å; N161-L171 WeakPolarHBondContact OD1-CD2 3.02Å
162	L	98	Very high	94.7	Very high	2 Å²	2	32.9 Å²	32.9	1%	0.01	19%	0.188	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-134.8	137.1	177	-64.1	169	0	0	0	109.4	P67 V68 F73 L139 T160 V169 S170	P67-L162 HydrophobicContact CB-CD1 4.17Å; P67-L162 HydrophobicContact CG-CD1 3.79Å; V68-L162 HydrophobicContact CG2-CD1 3.7Å; V68-L162 HydrophobicContact CG2-CD2 4.16Å; F73-L162 HydrophobicContact CE1-CD2 4.31Å; F73-L162 HydrophobicContact CZ-CD2 3.99Å; L139-L162 HydrophobicContact CD1-CB 4.3Å; L139-L162 HydrophobicContact CD1-CD2 4.32Å; L139-L162 HydrophobicContact CD2-CD2 4Å; L139-L162 HydrophobicContact CG-CD2 4.07Å; T160-L162 HydrophobicContact CG2-CD2 4.35Å; T160-L162 HydrophobicContact CG2-CG 4.14Å; L162-V169 CarbonylContact O-C 3.6Å; L162-V169 WeakPolarHBondContact O-CA 3.27Å; L162-S170 PolarHBondContact N-O 3.1Å; L162-S170 PolarHBondContact O-N 2.87Å
163	I	97.7	Very high	95.6	Very high	9 Å²	9	26.1 Å²	26.1	5%	0.046	15%	0.147	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-113	126.8	168.7	-66.5	169.3	0	0	0	107.8	F87 I99 I119 L140 V169	F87-I163 HydrophobicContact CE2-CG2 4.21Å; F87-I163 WeakPolarHBondContact CZ-O 3.44Å; I99-I163 HydrophobicContact CD1-CD1 3.34Å; I99-I163 HydrophobicContact CG1-CD1 3.83Å; I119-I163 HydrophobicContact CD1-CD1 3.71Å; I119-I163 HydrophobicContact CD1-CG1 3.96Å; L140-I163 PolarHBondContact N-O 3.02Å; L140-I163 PolarHBondContact O-N 2.97Å; I163-V169 HydrophobicContact CG1-CG2 4.31Å
164	H	95.7	Very high	96.2	Very high	40 Å²	40	25.6 Å²	25.6	19%	0.185	14%	0.139	C	C	.	.			trans	-100.1	163.4	-176.5	-62	-97.9	0	0	0	111.6	N166 G167 K168 S170	H164-N166 WeakPolarHBondContact CB-OD1 3.48Å; H164-N166 PolarHBondContact O-N 2.94Å; H164-N166 VanDerWaalsContact O-N 3.1Å; H164-G167 PolarHBondContact O-N 2.94Å; H164-K168 HydrophobicContact CB-CB 4.24Å; H164-K168 PolarHBondContact CD2-O 2.91Å; H164-K168 VanDerWaalsContact CD2-O 3.32Å; H164-K168 PolarHBondContact N-O 2.88Å; H164-S170 PolarHBondContact NE2-OG 2.98Å
165	P	93.1	Very high	96.5	Very high	57 Å²	57	24.6 Å²	24.6	37%	0.37	13%	0.134	S	C	.	.	T	Hydrogen-bonded Turn	trans	-54.3	-30.5	178.9	-30.6	37.8	0	0	0	115.5	F87 S88 E138 G167	F87-P165 HydrophobicContact CB-CB 4.14Å; F87-P165 HydrophobicContact CB-CG 4.29Å; F87-P165 HydrophobicContact CD1-CG 4.32Å; F87-P165 VanDerWaalsContact CD2-CA 3.45Å; F87-P165 HydrophobicContact CD2-CB 4.18Å; F87-P165 HydrophobicContact CD2-CG 4.3Å; F87-P165 HydrophobicContact CG-CB 4.17Å; F87-P165 HydrophobicContact CG-CG 4.05Å; S88-P165 VanDerWaalsContact O-O 3.04Å; E138-P165 VanDerWaalsContact O-CD 3.24Å; E138-P165 WeakPolarHBondContact O-CD 3.27Å; E138-P165 WeakPolarHBondContact O-CG 3.4Å; P165-G167 VanDerWaalsContact C-N 3.27Å; P165-G167 PolarHBondContact O-N 3.43Å
166	N	89.4	Confident	96.6	Very high	87 Å²	87	23.1 Å²	23.1	47%	0.465	12%	0.124	S	C	.	.	T	Hydrogen-bonded Turn	trans	-83.7	4.5	176.8	67	-7.2	0	0	0	114	H164 K168	H164-N166 WeakPolarHBondContact CB-OD1 3.48Å; H164-N166 PolarHBondContact O-N 2.94Å; H164-N166 VanDerWaalsContact O-N 3.1Å; N166-K168 VanDerWaalsContact C-N 3.26Å; N166-K168 PolarHBondContact O-N 3.23Å; N166-K168 WeakPolarHBondContact OD1-CB 3.4Å; N166-K168 PolarHBondContact OD1-N 2.63Å
167	G	93.3	Very high	96.5	Very high	3 Å²	3	21.4 Å²	21.4	3%	0.031	11%	0.114	C	C	.	.	S	Bend	trans	78.1	4.2	-175.5	0	0	0	0	0	114.7	R90 H164 P165	R90-G167 WeakPolarHBondContact O-CA 3.37Å; H164-G167 PolarHBondContact O-N 2.94Å; P165-G167 VanDerWaalsContact C-N 3.27Å; P165-G167 PolarHBondContact O-N 3.43Å
168	K	95.2	Very high	96.4	Very high	28 Å²	28	27.6 Å²	27.6	12%	0.122	15%	0.152	C	C	.	.			trans	-60.1	137.6	169.1	-176.9	174.4	65.6	169.1	0	109.1	H164 N166 E218 F219	H164-K168 HydrophobicContact CB-CB 4.24Å; H164-K168 PolarHBondContact CD2-O 2.91Å; H164-K168 VanDerWaalsContact CD2-O 3.32Å; H164-K168 PolarHBondContact N-O 2.88Å; N166-K168 VanDerWaalsContact C-N 3.26Å; N166-K168 PolarHBondContact O-N 3.23Å; N166-K168 WeakPolarHBondContact OD1-CB 3.4Å; N166-K168 PolarHBondContact OD1-N 2.63Å; K168-E218 HydrophobicContact CD-CB 4.29Å; K168-E218 HydrophobicContact CD-CG 4.5Å; K168-E218 WeakPolarHBondContact CE-OE1 3.32Å; K168-E218 IonicContact NZ-OE1 3.72Å; K168-E218 PolarHBondContact NZ-OE1 3.2Å; K168-F219 WeakPolarHBondContact CA-O 3.35Å; K168-F219 WeakPolarHBondContact CG-O 3.41Å
169	V	97.9	Very high	96.1	Very high	1 Å²	1	30.4 Å²	30.4	1%	0.006	17%	0.166	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-108.7	128.3	172.6	-178.9	0	0	0	0	108	Y91 I119 L162 I163 L171 I189 E218 F219	Y91-V169 HydrophobicContact CD2-CG2 4.35Å; Y91-V169 HydrophobicContact CE2-CG2 4.21Å; I119-V169 HydrophobicContact CD1-CG1 3.73Å; I119-V169 HydrophobicContact CD1-CG2 4.08Å; I119-V169 HydrophobicContact CG1-CG1 4.28Å; I119-V169 HydrophobicContact CG2-CG1 4.36Å; L162-V169 CarbonylContact O-C 3.6Å; L162-V169 WeakPolarHBondContact O-CA 3.27Å; I163-V169 HydrophobicContact CG1-CG2 4.31Å; V169-L171 HydrophobicContact CG1-CD2 4.12Å; V169-I189 HydrophobicContact CG1-CG2 4.21Å; V169-E218 CarbonylContact O-C 3.55Å; V169-E218 WeakPolarHBondContact O-CA 3Å; V169-F219 HydrophobicContact CB-CB 4.28Å; V169-F219 HydrophobicContact CB-CD2 4.28Å; V169-F219 HydrophobicContact CG1-CD2 4.37Å; V169-F219 PolarHBondContact N-O 2.98Å; V169-F219 PolarHBondContact O-N 2.73Å
170	S	98.2	Very high	95.9	Very high	4 Å²	4	31.4 Å²	31.4	3%	0.028	17%	0.172	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-116	131.9	174.5	-57.5	0	0	0	0	110.7	N161 L162 H164 V217	N161-S170 CarbonylContact C-O 3.55Å; N161-S170 WeakPolarHBondContact CA-O 3.35Å; L162-S170 PolarHBondContact N-O 3.1Å; L162-S170 PolarHBondContact O-N 2.87Å; H164-S170 PolarHBondContact NE2-OG 2.98Å; S170-V217 CarbonylContact C-O 3.54Å; S170-V217 WeakPolarHBondContact CA-O 3.45Å
171	L	98.6	Very high	95.7	Very high	0 Å²	0	36.4 Å²	36.4	0%	0	20%	0.195	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-110.7	132.7	169.6	-45.9	-176.5	0	0	0	108.9	I119 N121 T160 N161 V169 Y173 V206 V217 F219	I119-L171 HydrophobicContact CG2-CD2 3.79Å; N121-L171 HydrophobicContact CB-CD2 4.43Å; T160-L171 CarbonylContact O-C 3.55Å; T160-L171 VanDerWaalsContact O-CA 3.25Å; T160-L171 WeakPolarHBondContact O-CA 3.32Å; N161-L171 HydrophobicContact CB-CD2 4.2Å; N161-L171 VanDerWaalsContact OD1-CD2 3.3Å; N161-L171 WeakPolarHBondContact OD1-CD2 3.02Å; V169-L171 HydrophobicContact CG1-CD2 4.12Å; L171-Y173 HydrophobicContact CB-CE1 4.14Å; L171-V206 HydrophobicContact CD1-CG2 4.13Å; L171-V217 HydrophobicContact CB-CB 4.18Å; L171-V217 PolarHBondContact N-O 2.94Å; L171-V217 PolarHBondContact O-N 3.32Å; L171-F219 HydrophobicContact CD1-CE2 3.71Å; L171-F219 HydrophobicContact CD1-CZ 4.41Å; L171-F219 HydrophobicContact CG-CE2 3.93Å
172	F	98.6	Very high	95.6	Very high	4 Å²	4	41.3 Å²	41.3	2%	0.018	22%	0.218	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-128.3	138.7	177.1	-176.8	-101.4	0	0	0	111.2	Q64 S65 Q66 P67 M159 T160 D174 T215 L216	Q64-F172 HydrophobicContact CB-CE2 4.23Å; Q64-F172 WeakPolarHBondContact O-CE2 3.35Å; S65-F172 WeakPolarHBondContact O-CE2 3.48Å; Q66-F172 HydrophobicContact CB-CD1 4.49Å; Q66-F172 HydrophobicContact CB-CE1 3.84Å; Q66-F172 HydrophobicContact CB-CZ 4.25Å; Q66-F172 HydrophobicContact CG-CD1 4.12Å; Q66-F172 HydrophobicContact CG-CE1 3.91Å; P67-F172 HydrophobicContact CG-CB 4.08Å; P67-F172 HydrophobicContact CG-CG 4.23Å; M159-F172 WeakPolarHBondContact CA-O 3.48Å; T160-F172 PolarHBondContact N-O 2.83Å; T160-F172 PolarHBondContact O-N 3.42Å; F172-D174 HydrophobicContact CD1-CB 4.37Å; F172-D174 HydrophobicContact CE1-CB 3.85Å; F172-T215 WeakPolarHBondContact CA-O 3.47Å; F172-T215 VanDerWaalsContact CD2-O 3.23Å; F172-T215 WeakPolarHBondContact CD2-O 3.33Å; F172-L216 HydrophobicContact CB-CD1 4.31Å; F172-L216 HydrophobicContact CD2-CB 4.2Å; F172-L216 HydrophobicContact CD2-CD1 4.3Å
173	Y	98.6	Very high	95.4	Very high	0 Å²	0	45 Å²	45	0%	0	24%	0.244	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-117.5	124.1	-178.2	-43	-51.9	0	0	0	110.8	N121 M159 L171 S187 V206 I211 G214 T215 V217	N121-Y173 VanDerWaalsContact OD1-CE1 3.25Å; N121-Y173 WeakPolarHBondContact OD1-CE1 3.3Å; M159-Y173 HydrophobicContact CE-CD1 4.35Å; M159-Y173 HydrophobicContact CG-CD1 4.09Å; L171-Y173 HydrophobicContact CB-CE1 4.14Å; Y173-S187 WeakPolarHBondContact CE1-OG 3.42Å; Y173-S187 WeakPolarHBondContact OH-CB 3.32Å; Y173-S187 PolarHBondContact OH-OG 2.8Å; Y173-V206 HydrophobicContact CE2-CG1 4.48Å; Y173-I211 HydrophobicContact CD1-CG2 4.02Å; Y173-I211 HydrophobicContact CD2-CB 4.19Å; Y173-I211 HydrophobicContact CD2-CG2 3.87Å; Y173-I211 HydrophobicContact CE1-CG2 4.11Å; Y173-I211 HydrophobicContact CE2-CB 4.06Å; Y173-I211 HydrophobicContact CE2-CG1 3.88Å; Y173-I211 HydrophobicContact CE2-CG2 4Å; Y173-I211 HydrophobicContact CG-CG2 3.92Å; Y173-G214 PolarHBondContact O-N 2.85Å; Y173-T215 HydrophobicContact CD2-CG2 4.35Å; Y173-T215 HydrophobicContact CE2-CG2 4.48Å; Y173-T215 PolarHBondContact N-O 3.01Å; Y173-T215 VanDerWaalsContact N-O 3.07Å; Y173-V217 HydrophobicContact CE2-CG2 3.83Å
174	D	97.5	Very high	95.3	Very high	47 Å²	47	46.9 Å²	46.9	25%	0.251	25%	0.251	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-127.3	140.3	179.4	177.9	39.3	0	0	0	110.3	K158 F172 I176	K158-D174 HydrophobicContact CB-CB 4.13Å; K158-D174 PolarHBondContact N-O 2.7Å; K158-D174 IonicContact NZ-OD2 3.79Å; K158-D174 PolarHBondContact NZ-OD2 3.17Å; K158-D174 PolarHBondContact O-N 3.02Å; F172-D174 HydrophobicContact CD1-CB 4.37Å; F172-D174 HydrophobicContact CE1-CB 3.85Å; D174-I176 PolarHBondContact O-N 3.2Å
175	N	96.2	Very high	95.3	Very high	78 Å²	78	45.6 Å²	45.6	42%	0.417	25%	0.246	S	C	.	.	S	Bend	trans	51.7	35.6	180	-152.4	36.5	0	0	0	114.9	T156 A157 P177 S213	T156-N175 WeakPolarHBondContact O-CB 3.35Å; T156-N175 VanDerWaalsContact O-CG 3.29Å; T156-N175 PolarHBondContact O-ND2 3.17Å; T156-N175 PolarHBondContact OG1-ND2 3.35Å; A157-N175 WeakPolarHBondContact CA-O 3.22Å; N175-P177 WeakPolarHBondContact O-CD 3.32Å; N175-S213 WeakPolarHBondContact CA-OG 3.35Å; N175-S213 PolarHBondContact N-OG 3.42Å
176	I	96.6	Very high	95.5	Very high	10 Å²	10	46.3 Å²	46.3	5%	0.051	24%	0.244	C	C	.	.			trans	-71	120.4	170.2	-49.5	-53.5	0	0	0	108.9	I123 A157 M159 D174 I180 L185 S213	I123-I176 HydrophobicContact CD1-CD1 4.36Å; A157-I176 HydrophobicContact CB-CD1 3.94Å; M159-I176 HydrophobicContact CE-CD1 4.1Å; M159-I176 HydrophobicContact CG-CD1 4.32Å; D174-I176 PolarHBondContact O-N 3.2Å; I176-I180 HydrophobicContact CG2-CG2 4.08Å; I176-L185 HydrophobicContact CG2-CD1 4.4Å; I176-L185 HydrophobicContact CG2-CD2 4.16Å; I176-S213 PolarHBondContact N-OG 2.84Å; I176-S213 PolarHBondContact O-OG 3.04Å; I176-S213 VanDerWaalsContact O-OG 3.08Å
177	P	94.6	Very high	95.9	Very high	22 Å²	22	42.3 Å²	42.3	14%	0.143	22%	0.223	C	C	.	.			trans	-63.6	146.5	178	-22.9	35.4	0	0	0	111.9	I148 V150 V155 N175 E179 I180	I148-P177 HydrophobicContact CD1-CG 3.53Å; I148-P177 HydrophobicContact CG1-CG 4.47Å; V150-P177 HydrophobicContact CG2-CB 4.11Å; V150-P177 HydrophobicContact CG2-CG 4.1Å; V155-P177 HydrophobicContact CB-CG 4.36Å; V155-P177 HydrophobicContact CG2-CB 4.25Å; V155-P177 HydrophobicContact CG2-CG 3.33Å; N175-P177 WeakPolarHBondContact O-CD 3.32Å; P177-E179 VanDerWaalsContact C-N 3.32Å; P177-E179 PolarHBondContact O-N 2.79Å; P177-I180 WeakPolarHBondContact O-CG2 3.49Å
178	T	93.3	Very high	96.1	Very high	130 Å²	130	44.1 Å²	44.1	80%	0.798	23%	0.231	S	C	*	.	T	Hydrogen-bonded Turn	trans	-74.1	-23.9	-179.4	31.9	0	0	0	0	113.5
179	E	92.6	Very high	96.2	Very high	111 Å²	111	42.8 Å²	42.8	52%	0.519	23%	0.225	S	C	.	.	T	Hydrogen-bonded Turn	trans	-94.1	-0.4	-175.6	-50.1	69.5	-153.1	0	0	112.9	V150 P177	V150-E179 HydrophobicContact CG1-CB 3.67Å; V150-E179 HydrophobicContact CG1-CG 4.42Å; P177-E179 VanDerWaalsContact C-N 3.32Å; P177-E179 PolarHBondContact O-N 2.79Å
180	I	93.4	Very high	96.1	Very high	22 Å²	22	44.5 Å²	44.5	11%	0.113	23%	0.232	C	C	.	.	S	Bend	trans	-66.9	136.7	177.1	-165.8	166.5	0	0	0	110.3	I123 I148 I176 P177 E182 K184 L185	I123-I180 HydrophobicContact CD1-CD1 4.43Å; I123-I180 HydrophobicContact CG2-CD1 3.6Å; I148-I180 HydrophobicContact CD1-CD1 3.87Å; I176-I180 HydrophobicContact CG2-CG2 4.08Å; P177-I180 WeakPolarHBondContact O-CG2 3.49Å; I180-E182 PolarHBondContact O-N 3.32Å; I180-K184 HydrophobicContact CD1-CB 4.44Å; I180-K184 HydrophobicContact CG1-CB 4.37Å; I180-K184 HydrophobicContact CG1-CD 4.42Å; I180-L185 HydrophobicContact CD1-CD2 3.88Å; I180-L185 HydrophobicContact CG2-CD1 3.85Å; I180-L185 HydrophobicContact CG2-CD2 4.07Å; I180-L185 HydrophobicContact CG2-CG 4.13Å
181	E	93.6	Very high	95.9	Very high	108 Å²	108	44.3 Å²	44.3	51%	0.505	23%	0.23	S	C	.	.			trans	-64.5	128.8	174.3	-69.6	161.8	-130.7	0	0	110.5	S183 K184	E181-S183 PolarHBondContact O-N 2.73Å; E181-S183 VanDerWaalsContact O-N 3.14Å; E181-K184 HydrophobicContact CB-CD 4.21Å; E181-K184 HydrophobicContact CB-CG 4.28Å; E181-K184 WeakPolarHBondContact O-CB 3.39Å; E181-K184 PolarHBondContact O-N 3.33Å; E181-K184 IonicContact OE1-NZ 2.77Å; E181-K184 PolarHBondContact OE1-NZ 2.7Å; E181-K184 WeakPolarHBondContact OE2-CE 2.95Å; E181-K184 IonicContact OE2-NZ 2.62Å; E181-K184 PolarHBondContact OE2-NZ 2.95Å
182	E	95.3	Very high	95.6	Very high	105 Å²	105	46.8 Å²	46.8	49%	0.491	24%	0.243	S	C	.	.	G	3₁₀ helix	trans	-55.9	-31.5	180	-76.4	-168.4	-177.7	0	0	113.1	I180 K184 L185 A208 K209	I180-E182 PolarHBondContact O-N 3.32Å; E182-K184 PolarHBondContact O-N 3.03Å; E182-L185 PolarHBondContact O-N 3.23Å; E182-A208 HydrophobicContact CB-CB 3.67Å; E182-A208 HydrophobicContact CG-CB 4.06Å; E182-A208 WeakPolarHBondContact O-CB 3.06Å; E182-K209 WeakPolarHBondContact OE1-CA 3.36Å
183	S	94.9	Very high	95.2	Very high	80 Å²	80	47 Å²	47	56%	0.559	25%	0.245	S	C	*	.	G	3₁₀ helix	trans	-61.5	-23.3	176.6	53.5	0	0	0	0	113.9	E181	E181-S183 PolarHBondContact O-N 2.73Å; E181-S183 VanDerWaalsContact O-N 3.14Å
184	K	95	Very high	94.6	Very high	47 Å²	47	56.8 Å²	56.8	20%	0.204	28%	0.281	C	S	.	.	G	3₁₀ helix	trans	-84.8	-11.5	178.2	-62.4	175.1	-172.7	160.3	0	112.5	I123 E124 I180 E181 E182	I123-K184 CarbonylContact C-O 3.57Å; I123-K184 VanDerWaalsContact CA-O 3.28Å; I123-K184 WeakPolarHBondContact CA-O 3.42Å; E124-K184 HydrophobicContact CB-CB 4.28Å; E124-K184 PolarHBondContact N-O 3.32Å; I180-K184 HydrophobicContact CD1-CB 4.44Å; I180-K184 HydrophobicContact CG1-CB 4.37Å; I180-K184 HydrophobicContact CG1-CD 4.42Å; E181-K184 HydrophobicContact CB-CD 4.21Å; E181-K184 HydrophobicContact CB-CG 4.28Å; E181-K184 WeakPolarHBondContact O-CB 3.39Å; E181-K184 PolarHBondContact O-N 3.33Å; E181-K184 IonicContact OE1-NZ 2.77Å; E181-K184 PolarHBondContact OE1-NZ 2.7Å; E181-K184 WeakPolarHBondContact OE2-CE 2.95Å; E181-K184 IonicContact OE2-NZ 2.62Å; E181-K184 PolarHBondContact OE2-NZ 2.95Å; E182-K184 PolarHBondContact O-N 3.03Å
185	L	96.6	Very high	94.2	Very high	13 Å²	13	55.7 Å²	55.7	7%	0.068	28%	0.277	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-97.1	111.1	-177.5	-60.9	175.5	0	0	0	109.3	I123 M159 I176 I180 E182 I211	I123-L185 HydrophobicContact CD1-CD2 4.21Å; I123-L185 HydrophobicContact CG1-CD2 4.01Å; M159-L185 HydrophobicContact CE-CD2 3.98Å; I176-L185 HydrophobicContact CG2-CD1 4.4Å; I176-L185 HydrophobicContact CG2-CD2 4.16Å; I180-L185 HydrophobicContact CD1-CD2 3.88Å; I180-L185 HydrophobicContact CG2-CD1 3.85Å; I180-L185 HydrophobicContact CG2-CD2 4.07Å; I180-L185 HydrophobicContact CG2-CG 4.13Å; E182-L185 PolarHBondContact O-N 3.23Å; L185-I211 HydrophobicContact CB-CB 4.2Å; L185-I211 HydrophobicContact CB-CD1 3.81Å; L185-I211 HydrophobicContact CB-CG2 4.11Å; L185-I211 HydrophobicContact CD1-CB 3.94Å; L185-I211 HydrophobicContact CD1-CG2 4.04Å; L185-I211 HydrophobicContact CD2-CG2 4.09Å; L185-I211 HydrophobicContact CG-CG2 4.32Å
186	Q	96.2	Very high	93.7	Very high	72 Å²	72	59.9 Å²	59.9	34%	0.336	29%	0.294	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-125.4	114	-178.7	-68	-175.6	11.4	0	0	110.9	N121 F122 E124	N121-Q186 CarbonylContact C-O 3.6Å; N121-Q186 WeakPolarHBondContact CA-O 3.3Å; F122-Q186 HydrophobicContact CD1-CB 4.05Å; F122-Q186 HydrophobicContact CE1-CB 3.64Å; F122-Q186 HydrophobicContact CE1-CG 4.44Å; F122-Q186 VanDerWaalsContact CE1-OE1 3.23Å; F122-Q186 HydrophobicContact CZ-CB 4.07Å; F122-Q186 HydrophobicContact CZ-CG 4.43Å; F122-Q186 PolarHBondContact N-O 2.86Å; F122-Q186 PolarHBondContact O-N 2.9Å; F122-Q186 VanDerWaalsContact O-O 3.12Å; E124-Q186 PolarHBondContact OE1-NE2 2.69Å
187	S	98.1	Very high	93.1	Very high	4 Å²	4	67.5 Å²	67.5	3%	0.028	34%	0.335	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-137.5	122.2	175.4	-52.7	0	0	0	0	109.1	F120 N121 Y173 V206 I211	F120-S187 CarbonylContact O-C 3.53Å; F120-S187 VanDerWaalsContact O-CA 3.29Å; F120-S187 WeakPolarHBondContact O-CA 3.42Å; N121-S187 PolarHBondContact OD1-OG 2.88Å; Y173-S187 WeakPolarHBondContact CE1-OG 3.42Å; Y173-S187 WeakPolarHBondContact OH-CB 3.32Å; Y173-S187 PolarHBondContact OH-OG 2.8Å; S187-V206 PolarHBondContact O-N 2.82Å; S187-I211 WeakPolarHBondContact OG-CD1 3.36Å
188	E	97	Very high	92.8	Very high	40 Å²	40	68.1 Å²	68.1	19%	0.187	35%	0.346	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-158.6	161.7	-179.1	62.3	178.8	-153.6	0	0	111.8	F120 I204 S205	F120-E188 HydrophobicContact CB-CG 3.78Å; F120-E188 HydrophobicContact CD2-CG 3.72Å; F120-E188 VanDerWaalsContact CD2-OE1 3.32Å; F120-E188 WeakPolarHBondContact CD2-OE1 2.98Å; F120-E188 HydrophobicContact CG-CG 4.22Å; F120-E188 PolarHBondContact N-O 2.95Å; F120-E188 PolarHBondContact O-N 2.81Å; F120-E188 VanDerWaalsContact O-O 3.09Å; E188-I204 VanDerWaalsContact CA-O 3.22Å; E188-I204 WeakPolarHBondContact CA-O 3.49Å; E188-I204 WeakPolarHBondContact CB-O 3.41Å; E188-S205 PolarHBondContact OE2-OG 3.48Å
189	I	97.6	Very high	92.5	Very high	0 Å²	0	67.2 Å²	67.2	0%	0	34%	0.336	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-121	140.4	165.5	64.6	164.2	0	0	0	109	Y56 Y92 I119 V169 I204 F219	Y56-I189 HydrophobicContact CD1-CD1 4.12Å; Y56-I189 HydrophobicContact CE1-CD1 4.13Å; Y56-I189 HydrophobicContact CG-CD1 4.47Å; Y92-I189 HydrophobicContact CE2-CD1 4.45Å; I119-I189 HydrophobicContact CB-CG2 4.42Å; I119-I189 HydrophobicContact CG1-CG2 4.02Å; I119-I189 HydrophobicContact CG2-CG2 4.09Å; V169-I189 HydrophobicContact CG1-CG2 4.21Å; I189-I204 HydrophobicContact CD1-CD1 4.19Å; I189-I204 HydrophobicContact CG1-CB 4.03Å; I189-I204 HydrophobicContact CG1-CD1 4.23Å; I189-I204 HydrophobicContact CG1-CG1 4.44Å; I189-I204 PolarHBondContact N-O 3.32Å; I189-I204 PolarHBondContact O-N 2.88Å; I189-F219 HydrophobicContact CD1-CB 3.6Å; I189-F219 HydrophobicContact CD1-CD1 3.6Å; I189-F219 HydrophobicContact CD1-CD2 4.06Å; I189-F219 HydrophobicContact CD1-CE1 4.25Å; I189-F219 HydrophobicContact CD1-CG 3.48Å; I189-F219 VanDerWaalsContact CD1-CG 3.48Å; I189-F219 HydrophobicContact CG1-CD1 3.88Å; I189-F219 HydrophobicContact CG1-CD2 4.32Å; I189-F219 HydrophobicContact CG1-CE1 4Å; I189-F219 HydrophobicContact CG1-CE2 4.42Å; I189-F219 HydrophobicContact CG1-CG 4.03Å; I189-F219 HydrophobicContact CG1-CZ 4.26Å; I189-F219 HydrophobicContact CG2-CD2 3.92Å; I189-F219 HydrophobicContact CG2-CE2 3.89Å; I189-F219 HydrophobicContact CG2-CG 4.44Å; I189-F219 HydrophobicContact CG2-CZ 4.38Å
190	Y	95.7	Very high	92.4	Very high	38 Å²	38	63.2 Å²	63.2	15%	0.149	32%	0.318	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-137	146.6	170.7	81.6	-100.4	0	0	0	113	Y91 G117 T118 F120 L192 K201 H202	Y91-Y190 WeakPolarHBondContact CE1-O 2.99Å; Y91-Y190 PolarHBondContact OH-N 3.24Å; Y91-Y190 PolarHBondContact OH-O 2.81Å; G117-Y190 CarbonylContact C-O 3.55Å; G117-Y190 WeakPolarHBondContact CA-O 3.42Å; T118-Y190 HydrophobicContact CG2-CE1 4.13Å; T118-Y190 PolarHBondContact N-O 2.8Å; T118-Y190 PolarHBondContact O-N 3.3Å; T118-Y190 WeakPolarHBondContact OG1-CE1 3.13Å; T118-Y190 PolarHBondContact OG1-OH 3.35Å; F120-Y190 HydrophobicContact CD2-CD1 4.13Å; F120-Y190 HydrophobicContact CD2-CE1 4.17Å; F120-Y190 AromaticContact CE2-CD1 3.76Å; F120-Y190 HydrophobicContact CE2-CD1 3.76Å; F120-Y190 AromaticContact CE2-CE1 3.41Å; F120-Y190 HydrophobicContact CE2-CE1 3.41Å; F120-Y190 VanDerWaalsContact CE2-CE1 3.41Å; F120-Y190 HydrophobicContact CZ-CE1 4.12Å; Y190-L192 HydrophobicContact CD2-CD2 4.19Å; Y190-L192 HydrophobicContact CE2-CD2 3.69Å; Y190-L192 HydrophobicContact CE2-CG 4.01Å; Y190-K201 HydrophobicContact CD2-CB 4.01Å; Y190-H202 CarbonylContact C-O 3.59Å; Y190-H202 WeakPolarHBondContact CA-O 3.41Å; Y190-H202 VanDerWaalsContact CB-O 3.24Å; Y190-H202 WeakPolarHBondContact CB-O 3.41Å
191	G	94.3	Very high	92.3	Very high	0 Å²	0	67.1 Å²	67.1	0%	0	34%	0.335	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-116.5	141.7	174.3	0	0	0	0	0	111.6	Y92 K201 H202	Y92-G191 VanDerWaalsContact CE2-N 3.32Å; Y92-G191 VanDerWaalsContact CZ-N 3.29Å; G191-K201 WeakPolarHBondContact O-CA 2.98Å; G191-H202 PolarHBondContact N-O 3.35Å; G191-H202 PolarHBondContact O-N 2.93Å
192	L	92.4	Very high	92.3	Very high	52 Å²	52	62 Å²	62	27%	0.272	31%	0.311	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-84.9	124.6	173.4	-62.3	179.9	0	0	0	110.2	P115 I116 Y190 L199 T200 K201	P115-L192 WeakPolarHBondContact O-CD1 3.5Å; I116-L192 PolarHBondContact O-N 3.07Å; Y190-L192 HydrophobicContact CD2-CD2 4.19Å; Y190-L192 HydrophobicContact CE2-CD2 3.69Å; Y190-L192 HydrophobicContact CE2-CG 4.01Å; L192-L199 HydrophobicContact CB-CD1 4.02Å; L192-L199 HydrophobicContact CB-CD2 4.06Å; L192-L199 HydrophobicContact CB-CG 4.11Å; L192-L199 HydrophobicContact CD1-CD2 3.64Å; L192-L199 HydrophobicContact CD2-CD2 4.03Å; L192-L199 HydrophobicContact CD2-CG 4.32Å; L192-L199 HydrophobicContact CG-CD2 4.12Å; L192-T200 CarbonylContact C-O 3.51Å; L192-T200 WeakPolarHBondContact CA-O 3.38Å; L192-K201 HydrophobicContact CD2-CB 4.06Å
193	I	89.3	Confident	92.3	Very high	9 Å²	9	59.9 Å²	59.9	5%	0.046	30%	0.301	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-115.2	124.9	-178.3	-59.6	171.1	0	0	0	108	C26 Y29 Y54 T200 H202	C26-I193 HydrophobicContact CB-CG2 4.47Å; Y29-I193 HydrophobicContact CD1-CB 4.25Å; Y29-I193 HydrophobicContact CD1-CD1 3.51Å; Y29-I193 HydrophobicContact CD1-CG1 4.48Å; Y29-I193 HydrophobicContact CD1-CG2 4Å; Y29-I193 HydrophobicContact CD2-CD1 3.91Å; Y29-I193 HydrophobicContact CE1-CD1 3.68Å; Y29-I193 HydrophobicContact CE2-CD1 4.05Å; Y29-I193 HydrophobicContact CG-CD1 3.63Å; Y54-I193 HydrophobicContact CD1-CD1 4.34Å; Y54-I193 HydrophobicContact CE1-CD1 3.81Å; I193-T200 HydrophobicContact CB-CG2 3.9Å; I193-T200 HydrophobicContact CG2-CG2 4.32Å; I193-T200 PolarHBondContact N-O 2.96Å; I193-T200 WeakPolarHBondContact O-CG2 3.47Å; I193-T200 PolarHBondContact O-N 3.2Å; I193-H202 HydrophobicContact CD1-CB 3.72Å
194	R	87.3	Confident	92.3	Very high	205 Å²	205	56.1 Å²	56.1	77%	0.774	28%	0.275	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-83.8	120.2	176.7	-171.5	175.2	-174.2	142	2.1	110.2	L199	R194-L199 HydrophobicContact CB-CD1 4.4Å
195	C	87.6	Confident	92.4	Very high	24 Å²	24	56.9 Å²	56.9	16%	0.162	29%	0.286	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-110.2	171.7	173.7	-61.9	0	0	0	0	111.2	C30 D197 G198 T200	C30-C195 VanDerWaalsContact CA-SG 3.54Å; C30-C195 HydrophobicContact CB-CB 3.65Å; C30-C195 WeakPolarHBondContact CB-SG 3.12Å; C30-C195 WeakPolarHBondContact SG-CA 3.46Å; C30-C195 WeakPolarHBondContact SG-CB 3.29Å; C30-C195 CovalentContact SG-SG 2.02Å; C30-C195 PolarHBondContact SG-SG 3.35Å; C195-D197 VanDerWaalsContact C-N 3.29Å; C195-D197 PolarHBondContact O-N 2.76Å; C195-G198 CarbonylContact C-O 3.58Å; C195-G198 WeakPolarHBondContact CA-O 3.4Å; C195-G198 WeakPolarHBondContact CB-O 3.19Å; C195-G198 PolarHBondContact N-O 3.03Å; C195-G198 PolarHBondContact O-N 2.9Å; C195-T200 WeakPolarHBondContact SG-CG2 3.35Å
196	E	86.1	Confident	92.5	Very high	165 Å²	165	56.6 Å²	56.6	77%	0.771	29%	0.285	S	S	*	.	T	Hydrogen-bonded Turn	trans	-61.2	-40.4	175.3	-66.8	179.9	179.4	0	0	111.2	G198	E196-G198 VanDerWaalsContact C-N 3.32Å; E196-G198 PolarHBondContact O-N 3.24Å
197	D	84.9	Confident	92.6	Very high	170 Å²	170	54.9 Å²	54.9	91%	0.909	28%	0.28	S	S	*	.	T	Hydrogen-bonded Turn	trans	-84.7	2.3	-178.4	-59.1	-35.1	0	0	0	114.5	C195	C195-D197 VanDerWaalsContact C-N 3.29Å; C195-D197 PolarHBondContact O-N 2.76Å
198	G	87.7	Confident	92.5	Very high	36 Å²	36	55.9 Å²	55.9	37%	0.371	29%	0.288	S	S	.	.	E	Extended strand (participates in β ladder)	trans	133.8	-158.6	178.9	0	0	0	0	0	114.4	C195 E196	C195-G198 CarbonylContact C-O 3.58Å; C195-G198 WeakPolarHBondContact CA-O 3.4Å; C195-G198 WeakPolarHBondContact CB-O 3.19Å; C195-G198 PolarHBondContact N-O 3.03Å; C195-G198 PolarHBondContact O-N 2.9Å; E196-G198 VanDerWaalsContact C-N 3.32Å; E196-G198 PolarHBondContact O-N 3.24Å
199	L	88	Confident	92.5	Very high	111 Å²	111	58.5 Å²	58.5	58%	0.581	30%	0.299	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-93.9	129.6	178.7	-161	69.6	0	0	0	109.8	L192 R194	L192-L199 HydrophobicContact CB-CD1 4.02Å; L192-L199 HydrophobicContact CB-CD2 4.06Å; L192-L199 HydrophobicContact CB-CG 4.11Å; L192-L199 HydrophobicContact CD1-CD2 3.64Å; L192-L199 HydrophobicContact CD2-CD2 4.03Å; L192-L199 HydrophobicContact CD2-CG 4.32Å; L192-L199 HydrophobicContact CG-CD2 4.12Å; R194-L199 HydrophobicContact CB-CD1 4.4Å
200	T	89.9	Confident	92.5	Very high	26 Å²	26	59 Å²	59	16%	0.16	30%	0.301	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-118.8	162.6	171.3	-172.9	0	0	0	0	109.6	Y29 L192 I193 C195	Y29-T200 HydrophobicContact CD1-CG2 3.87Å; Y29-T200 HydrophobicContact CE1-CG2 3.51Å; L192-T200 CarbonylContact C-O 3.51Å; L192-T200 WeakPolarHBondContact CA-O 3.38Å; I193-T200 HydrophobicContact CB-CG2 3.9Å; I193-T200 HydrophobicContact CG2-CG2 4.32Å; I193-T200 PolarHBondContact N-O 2.96Å; I193-T200 WeakPolarHBondContact O-CG2 3.47Å; I193-T200 PolarHBondContact O-N 3.2Å; C195-T200 WeakPolarHBondContact SG-CG2 3.35Å
201	K	90.9	Very high	92.7	Very high	104 Å²	104	57.3 Å²	57.3	45%	0.452	29%	0.294	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-114.6	139.6	174.5	62.7	-174.7	-173	158.1	0	110.6	Y29 Y190 G191 L192 E203	Y29-K201 PolarHBondContact OH-O 2.85Å; Y190-K201 HydrophobicContact CD2-CB 4.01Å; G191-K201 WeakPolarHBondContact O-CA 2.98Å; L192-K201 HydrophobicContact CD2-CB 4.06Å; K201-E203 HydrophobicContact CB-CG 4.44Å; K201-E203 HydrophobicContact CD-CG 4.13Å; K201-E203 WeakPolarHBondContact CD-OE1 3.42Å; K201-E203 WeakPolarHBondContact CE-OE1 3.25Å; K201-E203 WeakPolarHBondContact CE-OE2 3.38Å; K201-E203 HydrophobicContact CG-CG 3.98Å; K201-E203 VanDerWaalsContact NZ-CD 3.34Å; K201-E203 IonicContact NZ-OE1 2.81Å; K201-E203 PolarHBondContact NZ-OE1 3.47Å; K201-E203 IonicContact NZ-OE2 2.78Å; K201-E203 PolarHBondContact NZ-OE2 3.27Å
202	H	93.2	Very high	92.8	Very high	1 Å²	1	61.7 Å²	61.7	1%	0.005	31%	0.313	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-106	128	164.2	173.4	-100.1	0	0	0	108.6	Y29 Y54 Y92 Y190 G191 I193 I204	Y29-H202 HydrophobicContact CE2-CB 3.73Å; Y29-H202 AromaticContact CE2-CD2 3.57Å; Y29-H202 AromaticContact CE2-CG 3.91Å; Y29-H202 VanDerWaalsContact OH-CA 3.25Å; Y29-H202 WeakPolarHBondContact OH-CA 3.46Å; Y29-H202 WeakPolarHBondContact OH-CB 3.46Å; Y54-H202 WeakPolarHBondContact CB-NE2 3.48Å; Y54-H202 PolarHBondContact O-CE1 2.97Å; Y92-H202 HydrophobicContact CE1-CB 4.01Å; Y92-H202 AromaticContact CE1-ND1 3.45Å; Y92-H202 WeakPolarHBondContact CE1-ND1 3.27Å; Y92-H202 AromaticContact CZ-ND1 3.66Å; Y92-H202 PolarHBondContact OH-ND1 3.11Å; Y92-H202 PolarHBondContact OH-O 2.69Å; Y92-H202 VanDerWaalsContact OH-O 3.11Å; Y190-H202 CarbonylContact C-O 3.59Å; Y190-H202 WeakPolarHBondContact CA-O 3.41Å; Y190-H202 VanDerWaalsContact CB-O 3.24Å; Y190-H202 WeakPolarHBondContact CB-O 3.41Å; G191-H202 PolarHBondContact N-O 3.35Å; G191-H202 PolarHBondContact O-N 2.93Å; I193-H202 HydrophobicContact CD1-CB 3.72Å; H202-I204 WeakPolarHBondContact CE1-CG1 3.49Å
203	E	94.7	Very high	93.1	Very high	60 Å²	60	61.4 Å²	61.4	28%	0.28	32%	0.315	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-122.2	139	-170.4	-47.8	-169.3	121.9	0	0	109.7	K201	K201-E203 HydrophobicContact CB-CG 4.44Å; K201-E203 HydrophobicContact CD-CG 4.13Å; K201-E203 WeakPolarHBondContact CD-OE1 3.42Å; K201-E203 WeakPolarHBondContact CE-OE1 3.25Å; K201-E203 WeakPolarHBondContact CE-OE2 3.38Å; K201-E203 HydrophobicContact CG-CG 3.98Å; K201-E203 VanDerWaalsContact NZ-CD 3.34Å; K201-E203 IonicContact NZ-OE1 2.81Å; K201-E203 PolarHBondContact NZ-OE1 3.47Å; K201-E203 IonicContact NZ-OE2 2.78Å; K201-E203 PolarHBondContact NZ-OE2 3.27Å
204	I	96.7	Very high	93.5	Very high	2 Å²	2	61.7 Å²	61.7	1%	0.01	32%	0.321	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-127.1	102.8	173.5	-49.9	172.1	0	0	0	107.4	H53 Y56 M58 E188 I189 H202 F219	H53-I204 HydrophobicContact CB-CD1 3.71Å; H53-I204 HydrophobicContact CB-CG1 4.05Å; H53-I204 HydrophobicContact CB-CG2 4.48Å; Y56-I204 VanDerWaalsContact CB-CD1 3.48Å; Y56-I204 HydrophobicContact CD2-CD1 4.21Å; Y56-I204 HydrophobicContact CG-CD1 3.96Å; M58-I204 HydrophobicContact SD-CG2 4.37Å; E188-I204 VanDerWaalsContact CA-O 3.22Å; E188-I204 WeakPolarHBondContact CA-O 3.49Å; E188-I204 WeakPolarHBondContact CB-O 3.41Å; I189-I204 HydrophobicContact CD1-CD1 4.19Å; I189-I204 HydrophobicContact CG1-CB 4.03Å; I189-I204 HydrophobicContact CG1-CD1 4.23Å; I189-I204 HydrophobicContact CG1-CG1 4.44Å; I189-I204 PolarHBondContact N-O 3.32Å; I189-I204 PolarHBondContact O-N 2.88Å; H202-I204 WeakPolarHBondContact CE1-CG1 3.49Å; I204-F219 HydrophobicContact CB-CE1 4.08Å; I204-F219 HydrophobicContact CG2-CD1 4.2Å; I204-F219 HydrophobicContact CG2-CE1 3.6Å
205	S	96.9	Very high	94	Very high	63 Å²	63	51.9 Å²	51.9	44%	0.441	28%	0.284	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-91	138.2	178.7	-44.1	0	0	0	0	111	E188	E188-S205 PolarHBondContact OE2-OG 3.48Å
206	V	98.2	Very high	94.6	Very high	7 Å²	7	51.8 Å²	51.8	4%	0.042	28%	0.281	C	S	.	.	P	Polyproline II helix	trans	-74.8	123.9	169.5	-177.1	0	0	0	0	107.6	M58 I60 L171 Y173 S187 A208 W210 I211 V217 F219	M58-V206 HydrophobicContact SD-CG2 4.25Å; I60-V206 HydrophobicContact CD1-CG1 4.19Å; L171-V206 HydrophobicContact CD1-CG2 4.13Å; Y173-V206 HydrophobicContact CE2-CG1 4.48Å; S187-V206 PolarHBondContact O-N 2.82Å; V206-A208 PolarHBondContact O-N 2.88Å; V206-W210 HydrophobicContact CG1-CB 4.25Å; V206-I211 HydrophobicContact CB-CG1 4.42Å; V206-I211 HydrophobicContact CG1-CG1 3.95Å; V206-V217 HydrophobicContact CG1-CG2 3.9Å; V206-V217 HydrophobicContact CG2-CB 4.46Å; V206-V217 HydrophobicContact CG2-CG1 3.91Å; V206-V217 HydrophobicContact CG2-CG2 4.15Å; V206-F219 HydrophobicContact CG2-CE2 4.37Å; V206-F219 HydrophobicContact CG2-CZ 3.75Å
207	P	97.5	Very high	95.2	Very high	36 Å²	36	43.9 Å²	43.9	23%	0.234	25%	0.245	C	C	.	.	P	Polyproline II helix	trans	-62	128.8	178.6	-15.8	25.9	0	0	0	110.1	K209 W210	P207-K209 HydrophobicContact CB-CG 4.36Å; P207-K209 PolarHBondContact O-N 3.23Å; P207-W210 WeakPolarHBondContact O-CB 3.41Å; P207-W210 PolarHBondContact O-N 3.08Å
208	A	97.5	Very high	95.8	Very high	24 Å²	24	36.9 Å²	36.9	20%	0.198	21%	0.206	C	C	.	.	G	3₁₀ helix	trans	-54.8	-32.8	-170.1	0	0	0	0	0	114	E182 V206 W210 I211	E182-A208 HydrophobicContact CB-CB 3.67Å; E182-A208 HydrophobicContact CG-CB 4.06Å; E182-A208 WeakPolarHBondContact O-CB 3.06Å; V206-A208 PolarHBondContact O-N 2.88Å; A208-W210 PolarHBondContact O-N 3.29Å; A208-I211 PolarHBondContact O-N 3.05Å
209	K	96.7	Very high	96.2	Very high	95 Å²	95	35.1 Å²	35.1	41%	0.413	19%	0.188	S	C	.	.	G	3₁₀ helix	trans	-54.9	-21	173.2	73.8	178.5	-172.7	176.1	0	115	E44 E182 P207 K212	E44-K209 WeakPolarHBondContact OE1-CE 3.4Å; E44-K209 IonicContact OE1-NZ 3.65Å; E44-K209 PolarHBondContact OE1-NZ 3.35Å; E182-K209 WeakPolarHBondContact OE1-CA 3.36Å; P207-K209 HydrophobicContact CB-CG 4.36Å; P207-K209 PolarHBondContact O-N 3.23Å; K209-K212 WeakPolarHBondContact O-CD 3.42Å; K209-K212 WeakPolarHBondContact O-CE 3.37Å; K209-K212 PolarHBondContact O-NZ 3.49Å
210	W	98	Very high	96.5	Very high	11 Å²	11	31.1 Å²	31.1	4%	0.042	17%	0.167	C	C	.	.	G	3₁₀ helix	trans	-93.9	-13	177.1	-72.3	102.3	0	0	0	113.5	E44 N45 R49 I60 R62 V206 P207 A208 K212 T215	E44-W210 HydrophobicContact CG-CZ2 3.93Å; N45-W210 WeakPolarHBondContact O-CH2 3.32Å; N45-W210 WeakPolarHBondContact O-CZ2 3.2Å; R49-W210 HydrophobicContact CB-CH2 4.05Å; R49-W210 HydrophobicContact CB-CZ2 3.7Å; R49-W210 HydrophobicContact CG-CZ2 4.48Å; I60-W210 HydrophobicContact CB-CD2 4.38Å; I60-W210 HydrophobicContact CB-CE3 4.17Å; I60-W210 HydrophobicContact CD1-CB 3.91Å; I60-W210 HydrophobicContact CD1-CD2 4.1Å; I60-W210 HydrophobicContact CD1-CG 3.7Å; I60-W210 HydrophobicContact CG2-CB 4.07Å; I60-W210 HydrophobicContact CG2-CD2 3.79Å; I60-W210 HydrophobicContact CG2-CE3 3.35Å; I60-W210 HydrophobicContact CG2-CG 4.1Å; I60-W210 HydrophobicContact CG2-CZ3 3.99Å; R62-W210 HydrophobicContact CG-CE3 4.12Å; R62-W210 HydrophobicContact CG-CZ3 3.77Å; V206-W210 HydrophobicContact CG1-CB 4.25Å; P207-W210 WeakPolarHBondContact O-CB 3.41Å; P207-W210 PolarHBondContact O-N 3.08Å; A208-W210 PolarHBondContact O-N 3.29Å; W210-K212 PolarHBondContact O-N 3.5Å; W210-T215 WeakPolarHBondContact O-CG2 3.41Å; W210-T215 PolarHBondContact O-OG1 2.88Å
211	I	98.1	Very high	96.7	Very high	2 Å²	2	32 Å²	32	1%	0.01	18%	0.177	C	C	.	.			trans	-79.2	75.9	179	-54.7	174.3	0	0	0	108.6	M159 Y173 L185 S187 V206 A208	M159-I211 HydrophobicContact CE-CG2 3.6Å; Y173-I211 HydrophobicContact CD1-CG2 4.02Å; Y173-I211 HydrophobicContact CD2-CB 4.19Å; Y173-I211 HydrophobicContact CD2-CG2 3.87Å; Y173-I211 HydrophobicContact CE1-CG2 4.11Å; Y173-I211 HydrophobicContact CE2-CB 4.06Å; Y173-I211 HydrophobicContact CE2-CG1 3.88Å; Y173-I211 HydrophobicContact CE2-CG2 4Å; Y173-I211 HydrophobicContact CG-CG2 3.92Å; L185-I211 HydrophobicContact CB-CB 4.2Å; L185-I211 HydrophobicContact CB-CD1 3.81Å; L185-I211 HydrophobicContact CB-CG2 4.11Å; L185-I211 HydrophobicContact CD1-CB 3.94Å; L185-I211 HydrophobicContact CD1-CG2 4.04Å; L185-I211 HydrophobicContact CD2-CG2 4.09Å; L185-I211 HydrophobicContact CG-CG2 4.32Å; S187-I211 WeakPolarHBondContact OG-CD1 3.36Å; V206-I211 HydrophobicContact CB-CG1 4.42Å; V206-I211 HydrophobicContact CG1-CG1 3.95Å; A208-I211 PolarHBondContact O-N 3.05Å
212	K	97.6	Very high	96.6	Very high	92 Å²	92	28.3 Å²	28.3	40%	0.4	16%	0.162	S	C	.	.			trans	-130.4	156.3	-177.2	-63.4	-179.6	174.3	166.2	0	110.9	R62 K209 W210 G214 T215	R62-K212 VanDerWaalsContact NH1-CD 3.35Å; K209-K212 WeakPolarHBondContact O-CD 3.42Å; K209-K212 WeakPolarHBondContact O-CE 3.37Å; K209-K212 PolarHBondContact O-NZ 3.49Å; W210-K212 PolarHBondContact O-N 3.5Å; K212-G214 PolarHBondContact O-N 2.9Å; K212-T215 VanDerWaalsContact O-CB 3.27Å; K212-T215 WeakPolarHBondContact O-CB 3.36Å; K212-T215 PolarHBondContact O-N 3.14Å; K212-T215 PolarHBondContact O-OG1 2.86Å
213	S	97.9	Very high	96.2	Very high	46 Å²	46	28.8 Å²	28.8	32%	0.322	17%	0.167	S	C	.	.	T	Hydrogen-bonded Turn	trans	-49.9	133.1	175.6	-63.6	0	0	0	0	112.8	N175 I176	N175-S213 WeakPolarHBondContact CA-OG 3.35Å; N175-S213 PolarHBondContact N-OG 3.42Å; I176-S213 PolarHBondContact N-OG 2.84Å; I176-S213 PolarHBondContact O-OG 3.04Å; I176-S213 VanDerWaalsContact O-OG 3.08Å
214	G	98.2	Very high	95.7	Very high	15 Å²	15	30.6 Å²	30.6	16%	0.155	18%	0.176	C	C	.	.	T	Hydrogen-bonded Turn	trans	74.3	26.8	-179.5	0	0	0	0	0	113.6	R62 Y63 Q64 Y173 K212	R62-G214 CarbonylContact C-O 3.6Å; Y63-G214 PolarHBondContact N-O 2.93Å; Q64-G214 PolarHBondContact N-O 3.37Å; Y173-G214 PolarHBondContact O-N 2.85Å; K212-G214 PolarHBondContact O-N 2.9Å
215	T	98.7	Very high	95.2	Very high	0 Å²	0	34.9 Å²	34.9	0%	0	20%	0.198	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-104	130.8	175.4	-46.2	0	0	0	0	110.5	I60 Q61 R62 F172 Y173 W210 K212 V217	I60-T215 HydrophobicContact CG2-CG2 3.4Å; Q61-T215 CarbonylContact O-C 3.39Å; Q61-T215 WeakPolarHBondContact O-CA 3.41Å; R62-T215 WeakPolarHBondContact CD-OG1 3.46Å; R62-T215 PolarHBondContact NE-OG1 2.64Å; F172-T215 WeakPolarHBondContact CA-O 3.47Å; F172-T215 VanDerWaalsContact CD2-O 3.23Å; F172-T215 WeakPolarHBondContact CD2-O 3.33Å; Y173-T215 HydrophobicContact CD2-CG2 4.35Å; Y173-T215 HydrophobicContact CE2-CG2 4.48Å; Y173-T215 PolarHBondContact N-O 3.01Å; Y173-T215 VanDerWaalsContact N-O 3.07Å; W210-T215 WeakPolarHBondContact O-CG2 3.41Å; W210-T215 PolarHBondContact O-OG1 2.88Å; K212-T215 VanDerWaalsContact O-CB 3.27Å; K212-T215 WeakPolarHBondContact O-CB 3.36Å; K212-T215 PolarHBondContact O-N 3.14Å; K212-T215 PolarHBondContact O-OG1 2.86Å; T215-V217 HydrophobicContact CG2-CG2 4.47Å
216	L	98.6	Very high	94.9	Very high	21 Å²	21	31.9 Å²	31.9	11%	0.11	18%	0.177	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-107.4	126.4	169.2	-178.5	65.9	0	0	0	108.9	I60 Q61 Q64 P67 F172 E218	I60-L216 WeakPolarHBondContact CA-O 3.35Å; Q61-L216 PolarHBondContact N-O 3.11Å; Q61-L216 PolarHBondContact O-N 3.48Å; Q64-L216 HydrophobicContact CB-CB 4.01Å; Q64-L216 HydrophobicContact CG-CB 3.85Å; P67-L216 HydrophobicContact CG-CD1 4.44Å; F172-L216 HydrophobicContact CB-CD1 4.31Å; F172-L216 HydrophobicContact CD2-CB 4.2Å; F172-L216 HydrophobicContact CD2-CD1 4.3Å; L216-E218 HydrophobicContact CD2-CG 4.16Å; L216-E218 HydrophobicContact CG-CG 4.04Å
217	V	98.7	Very high	94.4	Very high	0 Å²	0	34.2 Å²	34.2	0%	0	19%	0.193	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-109	132.9	169.5	-176.2	0	0	0	0	108	M58 R59 I60 S170 L171 Y173 V206 T215 F219	M58-V217 HydrophobicContact CG-CG1 3.78Å; M58-V217 HydrophobicContact SD-CG1 3.98Å; R59-V217 CarbonylContact O-C 3.58Å; R59-V217 VanDerWaalsContact O-CA 3.28Å; R59-V217 WeakPolarHBondContact O-CA 3.12Å; I60-V217 HydrophobicContact CG1-CG1 4.27Å; I60-V217 HydrophobicContact CG1-CG2 4.18Å; I60-V217 HydrophobicContact CG2-CG2 4.16Å; S170-V217 CarbonylContact C-O 3.54Å; S170-V217 WeakPolarHBondContact CA-O 3.45Å; L171-V217 HydrophobicContact CB-CB 4.18Å; L171-V217 PolarHBondContact N-O 2.94Å; L171-V217 PolarHBondContact O-N 3.32Å; Y173-V217 HydrophobicContact CE2-CG2 3.83Å; V206-V217 HydrophobicContact CG1-CG2 3.9Å; V206-V217 HydrophobicContact CG2-CB 4.46Å; V206-V217 HydrophobicContact CG2-CG1 3.91Å; V206-V217 HydrophobicContact CG2-CG2 4.15Å; T215-V217 HydrophobicContact CG2-CG2 4.47Å; V217-F219 HydrophobicContact CG1-CD2 4.3Å; V217-F219 HydrophobicContact CG1-CE1 4.42Å; V217-F219 HydrophobicContact CG1-CE2 3.7Å; V217-F219 HydrophobicContact CG1-CZ 3.78Å
218	E	97.8	Very high	93.9	Very high	22 Å²	22	36.4 Å²	36.4	10%	0.103	20%	0.2	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-125.2	124.6	176	-60.6	-172.4	115.2	0	0	110.2	M58 R59 K168 V169 L216	M58-E218 WeakPolarHBondContact CA-O 3.24Å; R59-E218 HydrophobicContact CB-CB 4.49Å; R59-E218 PolarHBondContact N-O 3.09Å; R59-E218 IonicContact NH1-OE2 3.29Å; R59-E218 PolarHBondContact O-N 3.33Å; K168-E218 HydrophobicContact CD-CB 4.29Å; K168-E218 HydrophobicContact CD-CG 4.5Å; K168-E218 WeakPolarHBondContact CE-OE1 3.32Å; K168-E218 IonicContact NZ-OE1 3.72Å; K168-E218 PolarHBondContact NZ-OE1 3.2Å; V169-E218 CarbonylContact O-C 3.55Å; V169-E218 WeakPolarHBondContact O-CA 3Å; L216-E218 HydrophobicContact CD2-CG 4.16Å; L216-E218 HydrophobicContact CG-CG 4.04Å
219	F	97.3	Very high	93.6	Very high	0 Å²	0	38.3 Å²	38.3	0%	0	20%	0.204	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-102.8	122.2	169.9	-56.5	-86.1	0	0	0	109.5	Y56 S57 M58 K168 V169 L171 I189 I204 V206 V217	Y56-F219 HydrophobicContact CD1-CB 4.08Å; Y56-F219 HydrophobicContact CE1-CB 4.49Å; S57-F219 WeakPolarHBondContact O-CA 3.47Å; M58-F219 HydrophobicContact CB-CD1 3.94Å; M58-F219 HydrophobicContact CB-CE1 3.97Å; M58-F219 HydrophobicContact CG-CD1 3.99Å; M58-F219 HydrophobicContact CG-CE1 3.66Å; M58-F219 HydrophobicContact CG-CZ 4.27Å; M58-F219 HydrophobicContact SD-CD1 4.39Å; M58-F219 HydrophobicContact SD-CE1 3.48Å; M58-F219 WeakPolarHBondContact SD-CE1 3.35Å; M58-F219 HydrophobicContact SD-CZ 3.86Å; K168-F219 WeakPolarHBondContact CA-O 3.35Å; K168-F219 WeakPolarHBondContact CG-O 3.41Å; V169-F219 HydrophobicContact CB-CB 4.28Å; V169-F219 HydrophobicContact CB-CD2 4.28Å; V169-F219 HydrophobicContact CG1-CD2 4.37Å; V169-F219 PolarHBondContact N-O 2.98Å; V169-F219 PolarHBondContact O-N 2.73Å; L171-F219 HydrophobicContact CD1-CE2 3.71Å; L171-F219 HydrophobicContact CD1-CZ 4.41Å; L171-F219 HydrophobicContact CG-CE2 3.93Å; I189-F219 HydrophobicContact CD1-CB 3.6Å; I189-F219 HydrophobicContact CD1-CD1 3.6Å; I189-F219 HydrophobicContact CD1-CD2 4.06Å; I189-F219 HydrophobicContact CD1-CE1 4.25Å; I189-F219 HydrophobicContact CD1-CG 3.48Å; I189-F219 VanDerWaalsContact CD1-CG 3.48Å; I189-F219 HydrophobicContact CG1-CD1 3.88Å; I189-F219 HydrophobicContact CG1-CD2 4.32Å; I189-F219 HydrophobicContact CG1-CE1 4Å; I189-F219 HydrophobicContact CG1-CE2 4.42Å; I189-F219 HydrophobicContact CG1-CG 4.03Å; I189-F219 HydrophobicContact CG1-CZ 4.26Å; I189-F219 HydrophobicContact CG2-CD2 3.92Å; I189-F219 HydrophobicContact CG2-CE2 3.89Å; I189-F219 HydrophobicContact CG2-CG 4.44Å; I189-F219 HydrophobicContact CG2-CZ 4.38Å; I204-F219 HydrophobicContact CB-CE1 4.08Å; I204-F219 HydrophobicContact CG2-CD1 4.2Å; I204-F219 HydrophobicContact CG2-CE1 3.6Å; V206-F219 HydrophobicContact CG2-CE2 4.37Å; V206-F219 HydrophobicContact CG2-CZ 3.75Å; V217-F219 HydrophobicContact CG1-CD2 4.3Å; V217-F219 HydrophobicContact CG1-CE1 4.42Å; V217-F219 HydrophobicContact CG1-CE2 3.7Å; V217-F219 HydrophobicContact CG1-CZ 3.78Å
220	E	94.5	Very high	93.3	Very high	26 Å²	26	42.2 Å²	42.2	12%	0.121	22%	0.217	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-124.2	129.7	178.9	-165.1	-177.1	166.8	0	0	109.9	Y56 S57 I222 K266	Y56-E220 CarbonylContact C-O 3.54Å; Y56-E220 WeakPolarHBondContact CA-O 2.87Å; S57-E220 PolarHBondContact N-O 2.93Å; S57-E220 PolarHBondContact O-N 2.76Å; E220-I222 PolarHBondContact O-N 2.74Å; E220-K266 IonicContact OE1-NZ 2.73Å; E220-K266 PolarHBondContact OE1-NZ 2.82Å; E220-K266 WeakPolarHBondContact OE2-CE 3.12Å; E220-K266 IonicContact OE2-NZ 2.78Å; E220-K266 PolarHBondContact OE2-NZ 2.79Å
221	A	92.3	Very high	93.1	Very high	46 Å²	46	44.4 Å²	44.4	38%	0.38	23%	0.232	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-63.8	134.4	178	0	0	0	0	0	110.6	K55 Y56	K55-A221 CarbonylContact O-C 3.48Å; K55-A221 WeakPolarHBondContact O-CA 3.09Å; Y56-A221 HydrophobicContact CE1-CB 4.14Å
222	I	88.7	Confident	92.9	Very high	25 Å²	25	45.4 Å²	45.4	13%	0.128	24%	0.24	C	C	.	.	P	Polyproline II helix	trans	-85.5	122.1	172	-57.1	173.7	0	0	0	107.5	L52 K55 Y56 E220	L52-I222 HydrophobicContact CD2-CD1 4.2Å; K55-I222 PolarHBondContact O-N 3.26Å; Y56-I222 WeakPolarHBondContact O-CD1 3.46Å; E220-I222 PolarHBondContact O-N 2.74Å
223	G	86	Confident	92.8	Very high	12 Å²	12	46.6 Å²	46.6	12%	0.124	25%	0.247	C	C	.	.	P	Polyproline II helix	trans	-57.2	136.1	179	0	0	0	0	0	113.8	I225 C226 S227 E256	G223-I225 VanDerWaalsContact C-N 3.32Å; G223-I225 PolarHBondContact O-N 2.73Å; G223-C226 PolarHBondContact O-N 3.49Å; G223-S227 WeakPolarHBondContact O-CB 3.41Å; G223-S227 PolarHBondContact O-N 2.86Å; G223-S227 PolarHBondContact O-OG 3.46Å; G223-E256 WeakPolarHBondContact CA-OE2 3.33Å
224	E	83.6	Confident	92.7	Very high	97 Å²	97	46.5 Å²	46.5	45%	0.453	24%	0.244	S	C	.	.	H	α-helix	trans	-61.6	-39.1	-174.1	-61.7	-171.5	158.1	0	0	112.2	S227 Q228	E224-S227 WeakPolarHBondContact CA-OG 3.25Å; E224-S227 PolarHBondContact O-OG 2.85Å; E224-Q228 VanDerWaalsContact O-CG 3.28Å; E224-Q228 WeakPolarHBondContact O-CG 3.3Å; E224-Q228 PolarHBondContact O-N 2.94Å
225	I	86.7	Confident	92.5	Very high	93 Å²	93	45.8 Å²	45.8	48%	0.477	24%	0.237	S	C	.	.	H	α-helix	trans	-69.7	-46.7	-175	-56.5	173.4	0	0	0	111.2	G223 M243	G223-I225 VanDerWaalsContact C-N 3.32Å; G223-I225 PolarHBondContact O-N 2.73Å; I225-M243 HydrophobicContact CB-CE 3.78Å; I225-M243 HydrophobicContact CB-SD 3.75Å; I225-M243 HydrophobicContact CD1-CE 4.17Å; I225-M243 HydrophobicContact CD1-SD 4.02Å; I225-M243 HydrophobicContact CG1-SD 4.33Å; I225-M243 HydrophobicContact CG2-CE 3.59Å; I225-M243 HydrophobicContact CG2-SD 4.27Å
226	C	90.2	Very high	92.2	Very high	0 Å²	0	51.7 Å²	51.7	0%	0	26%	0.264	C	S	.	.	H	α-helix	trans	-66	-45	177.6	-57.6	0	0	0	0	110.3	G223 Q228 K229 C245 C254 E256	G223-C226 PolarHBondContact O-N 3.49Å; C226-Q228 PolarHBondContact O-N 3.29Å; C226-K229 WeakPolarHBondContact O-CB 3.41Å; C226-K229 WeakPolarHBondContact O-CG 3.25Å; C226-K229 PolarHBondContact O-N 2.85Å; C226-C245 VanDerWaalsContact CA-SG 3.56Å; C226-C245 HydrophobicContact CB-CB 3.87Å; C226-C245 WeakPolarHBondContact CB-SG 3.38Å; C226-C245 WeakPolarHBondContact SG-CA 3.39Å; C226-C245 WeakPolarHBondContact SG-CB 3.4Å; C226-C245 CovalentContact SG-SG 2.04Å; C226-C245 PolarHBondContact SG-SG 2.88Å; C226-C254 CarbonylContact C-O 3.58Å; C226-C254 WeakPolarHBondContact O-CB 3.22Å; C226-C254 PolarHBondContact O-SG 3.2Å; C226-E256 HydrophobicContact CB-CB 4.21Å
227	S	87.8	Confident	92	Very high	56 Å²	56	59.8 Å²	59.8	39%	0.392	29%	0.293	S	S	.	.	H	α-helix	trans	-59.5	-20.5	-176.8	69.9	0	0	0	0	114.9	G223 E224 K229	G223-S227 WeakPolarHBondContact O-CB 3.41Å; G223-S227 PolarHBondContact O-N 2.86Å; G223-S227 PolarHBondContact O-OG 3.46Å; E224-S227 WeakPolarHBondContact CA-OG 3.25Å; E224-S227 PolarHBondContact O-OG 2.85Å; S227-K229 VanDerWaalsContact C-N 3.29Å; S227-K229 PolarHBondContact O-N 3.26Å
228	Q	87.3	Confident	91.8	Very high	81 Å²	81	60.4 Å²	60.4	38%	0.379	30%	0.299	S	S	.	.	T	Hydrogen-bonded Turn	trans	-85.2	6.6	177.1	-70.9	174.4	-7.1	0	0	113.9	N25 E224 C226 Y230	N25-Q228 PolarHBondContact ND2-NE2 3.22Å; N25-Q228 PolarHBondContact OD1-NE2 2.96Å; E224-Q228 VanDerWaalsContact O-CG 3.28Å; E224-Q228 WeakPolarHBondContact O-CG 3.3Å; E224-Q228 PolarHBondContact O-N 2.94Å; C226-Q228 PolarHBondContact O-N 3.29Å; Q228-Y230 WeakPolarHBondContact O-CE2 3.28Å
229	K	90.9	Very high	91.6	Very high	64 Å²	64	62.3 Å²	62.3	28%	0.278	31%	0.311	S	S	.	.			trans	-103.4	123.9	178.3	-50.8	-55.8	172.7	-158	0	110.2	C226 S227 C235 A238 C254	C226-K229 WeakPolarHBondContact O-CB 3.41Å; C226-K229 WeakPolarHBondContact O-CG 3.25Å; C226-K229 PolarHBondContact O-N 2.85Å; S227-K229 VanDerWaalsContact C-N 3.29Å; S227-K229 PolarHBondContact O-N 3.26Å; K229-C235 HydrophobicContact CB-CB 4.09Å; K229-A238 HydrophobicContact CD-CB 4.14Å; K229-A238 HydrophobicContact CG-CB 3.8Å; K229-C254 HydrophobicContact CB-CB 3.86Å; K229-C254 WeakPolarHBondContact O-CB 3.44Å
230	Y	91.5	Very high	91.3	Very high	177 Å²	177	65.6 Å²	65.6	69%	0.694	33%	0.332	S	S	*	.			trans	-105	0.8	-171.1	-55.1	-75.1	0	0	0	114.1	Q228 W247	Q228-Y230 WeakPolarHBondContact O-CE2 3.28Å; Y230-W247 VanDerWaalsContact O-CH2 3.3Å; Y230-W247 WeakPolarHBondContact O-CH2 3.1Å
231	T	93	Very high	91	Very high	57 Å²	57	70.4 Å²	70.4	35%	0.35	37%	0.368	S	S	.	.	S	Bend	trans	-134.9	157.1	174	83.6	0	0	0	0	110.9	E233 T234 C235	T231-E233 VanDerWaalsContact C-N 3.29Å; T231-E233 VanDerWaalsContact CB-OE2 3.28Å; T231-E233 WeakPolarHBondContact CB-OE2 3.25Å; T231-E233 PolarHBondContact O-N 2.81Å; T231-E233 PolarHBondContact OG1-OE2 3.5Å; T231-T234 PolarHBondContact N-OG1 2.78Å; T231-T234 VanDerWaalsContact N-OG1 3.09Å; T231-T234 PolarHBondContact O-N 2.79Å; T231-T234 PolarHBondContact O-OG1 2.88Å; T231-T234 WeakPolarHBondContact OG1-CG2 3.32Å; T231-T234 PolarHBondContact OG1-N 2.86Å; T231-T234 VanDerWaalsContact OG1-N 3.15Å; T231-T234 PolarHBondContact OG1-OG1 3Å; T231-C235 VanDerWaalsContact O-CB 3.27Å; T231-C235 WeakPolarHBondContact O-CB 3.44Å; T231-C235 PolarHBondContact O-N 3.25Å
232	S	93.6	Very high	90.8	Very high	24 Å²	24	73.8 Å²	73.8	17%	0.168	38%	0.384	C	S	.	.	H	α-helix	trans	-56.8	-42.8	177.5	-171.3	0	0	0	0	112.2	C235 Q236	S232-C235 WeakPolarHBondContact O-CB 3.41Å; S232-C235 PolarHBondContact O-N 2.81Å; S232-Q236 WeakPolarHBondContact O-CG 3.28Å; S232-Q236 PolarHBondContact O-N 2.79Å
233	E	94.9	Very high	90.9	Very high	117 Å²	117	73 Å²	73	55%	0.547	38%	0.38	S	S	.	.	H	α-helix	trans	-70.6	-36.3	-178.7	-50.6	75.8	-166.2	0	0	112.4	T231 R237	T231-E233 VanDerWaalsContact C-N 3.29Å; T231-E233 VanDerWaalsContact CB-OE2 3.28Å; T231-E233 WeakPolarHBondContact CB-OE2 3.25Å; T231-E233 PolarHBondContact O-N 2.81Å; T231-E233 PolarHBondContact OG1-OE2 3.5Å; E233-R237 WeakPolarHBondContact O-CB 3.36Å; E233-R237 VanDerWaalsContact O-CG 3.29Å; E233-R237 WeakPolarHBondContact O-CG 3.27Å; E233-R237 PolarHBondContact O-N 3.24Å; E233-R237 PolarHBondContact O-NE 3.24Å
234	T	95.8	Very high	91.2	Very high	43 Å²	43	75 Å²	75	26%	0.264	39%	0.39	S	S	.	.	H	α-helix	trans	-73.7	-32.2	175.9	53.8	0	0	0	0	111.5	T231 A238	T231-T234 PolarHBondContact N-OG1 2.78Å; T231-T234 VanDerWaalsContact N-OG1 3.09Å; T231-T234 PolarHBondContact O-N 2.79Å; T231-T234 PolarHBondContact O-OG1 2.88Å; T231-T234 WeakPolarHBondContact OG1-CG2 3.32Å; T231-T234 PolarHBondContact OG1-N 2.86Å; T231-T234 VanDerWaalsContact OG1-N 3.15Å; T231-T234 PolarHBondContact OG1-OG1 3Å; T234-A238 PolarHBondContact O-N 2.86Å
235	C	94.6	Very high	91.6	Very high	0 Å²	0	70.6 Å²	70.6	0%	0	37%	0.37	C	S	.	.	H	α-helix	trans	-65.8	-52.7	175	-177.1	0	0	0	0	111.9	K229 T231 S232 R237 A238 C245 F246 W247 C254	K229-C235 HydrophobicContact CB-CB 4.09Å; T231-C235 VanDerWaalsContact O-CB 3.27Å; T231-C235 WeakPolarHBondContact O-CB 3.44Å; T231-C235 PolarHBondContact O-N 3.25Å; S232-C235 WeakPolarHBondContact O-CB 3.41Å; S232-C235 PolarHBondContact O-N 2.81Å; C235-R237 VanDerWaalsContact C-N 3.29Å; C235-R237 PolarHBondContact O-N 2.9Å; C235-A238 WeakPolarHBondContact O-CB 3.21Å; C235-A238 PolarHBondContact O-N 3.38Å; C235-C245 VanDerWaalsContact O-CB 3.3Å; C235-C245 WeakPolarHBondContact O-CB 3.45Å; C235-F246 PolarHBondContact SG-O 2.8Å; C235-W247 HydrophobicContact CB-CB 4.28Å; C235-W247 HydrophobicContact CB-CE3 3.94Å; C235-W247 PolarHBondContact SG-N 2.77Å; C235-C254 WeakPolarHBondContact CA-SG 3.4Å; C235-C254 HydrophobicContact CB-CB 3.56Å; C235-C254 WeakPolarHBondContact CB-SG 3.48Å; C235-C254 VanDerWaalsContact SG-CA 3.56Å; C235-C254 WeakPolarHBondContact SG-CB 3.25Å; C235-C254 CovalentContact SG-SG 2.02Å; C235-C254 PolarHBondContact SG-SG 2.87Å
236	Q	92.9	Very high	91.9	Very high	124 Å²	124	67 Å²	67	58%	0.579	35%	0.351	S	S	*	.	H	α-helix	trans	-59.7	-39.8	179.4	-70.3	173.8	7.6	0	0	112.1	S232 A238 T239	S232-Q236 WeakPolarHBondContact O-CG 3.28Å; S232-Q236 PolarHBondContact O-N 2.79Å; Q236-A238 PolarHBondContact O-N 3.19Å; Q236-T239 WeakPolarHBondContact O-CB 3.02Å; Q236-T239 PolarHBondContact O-N 2.76Å; Q236-T239 PolarHBondContact O-OG1 2.8Å
237	R	95	Very high	92	Very high	192 Å²	192	68.9 Å²	68.9	73%	0.725	36%	0.358	S	S	*	.	T	Hydrogen-bonded Turn	trans	-68.9	-15.7	176.5	-75.1	-174.8	-67.5	163.1	-4.8	114.4	E233 C235 T239	E233-R237 WeakPolarHBondContact O-CB 3.36Å; E233-R237 VanDerWaalsContact O-CG 3.29Å; E233-R237 WeakPolarHBondContact O-CG 3.27Å; E233-R237 PolarHBondContact O-N 3.24Å; E233-R237 PolarHBondContact O-NE 3.24Å; C235-R237 VanDerWaalsContact C-N 3.29Å; C235-R237 PolarHBondContact O-N 2.9Å; R237-T239 VanDerWaalsContact C-N 3.3Å
238	A	93.3	Very high	92.3	Very high	13 Å²	13	66.2 Å²	66.2	11%	0.107	34%	0.339	C	S	.	.	T	Hydrogen-bonded Turn	trans	-80.9	-12.7	178.1	0	0	0	0	0	113	K229 T234 C235 Q236 M243 C245	K229-A238 HydrophobicContact CD-CB 4.14Å; K229-A238 HydrophobicContact CG-CB 3.8Å; T234-A238 PolarHBondContact O-N 2.86Å; C235-A238 WeakPolarHBondContact O-CB 3.21Å; C235-A238 PolarHBondContact O-N 3.38Å; Q236-A238 PolarHBondContact O-N 3.19Å; A238-M243 WeakPolarHBondContact O-CE 3.34Å; A238-C245 HydrophobicContact CB-CB 4.35Å
239	T	93.3	Very high	92.5	Very high	61 Å²	61	67.2 Å²	67.2	37%	0.374	34%	0.344	S	S	.	.			trans	-60.1	135.2	175	-66.8	0	0	0	0	111.2	Q236 R237 M243 C245	Q236-T239 WeakPolarHBondContact O-CB 3.02Å; Q236-T239 PolarHBondContact O-N 2.76Å; Q236-T239 PolarHBondContact O-OG1 2.8Å; R237-T239 VanDerWaalsContact C-N 3.3Å; T239-M243 CarbonylContact C-O 3.58Å; T239-M243 WeakPolarHBondContact CA-O 3.08Å; T239-C245 PolarHBondContact OG1-N 2.91Å; T239-C245 PolarHBondContact OG1-O 2.81Å; T239-C245 VanDerWaalsContact OG1-O 3.1Å
240	T	92	Very high	92.4	Very high	70 Å²	70	67.9 Å²	67.9	43%	0.429	35%	0.347	S	S	.	.	B	Isolated β-bridge	trans	-126.7	179.1	177.6	67.9	0	0	0	0	110	T242 M243	T240-T242 PolarHBondContact O-N 2.88Å; T240-T242 PolarHBondContact OG1-N 3.26Å; T240-M243 HydrophobicContact CG2-CE 4.39Å; T240-M243 PolarHBondContact N-O 2.92Å; T240-M243 PolarHBondContact O-N 2.79Å; T240-M243 VanDerWaalsContact O-O 3.13Å; T240-M243 WeakPolarHBondContact OG1-CB 3.43Å; T240-M243 PolarHBondContact OG1-N 3.18Å
241	S	88.2	Confident	92.3	Very high	127 Å²	127	59.6 Å²	59.6	89%	0.888	32%	0.315	S	S	*	.	T	Hydrogen-bonded Turn	trans	-64.7	-21.1	177.1	53.6	0	0	0	0	114.2
242	T	87.8	Confident	92.2	Very high	116 Å²	116	65 Å²	65	71%	0.712	33%	0.334	S	S	*	.	T	Hydrogen-bonded Turn	trans	-113.4	-3.5	-178.2	58.1	0	0	0	0	113.2	T240	T240-T242 PolarHBondContact O-N 2.88Å; T240-T242 PolarHBondContact OG1-N 3.26Å
243	M	90.3	Very high	92.1	Very high	9 Å²	9	65 Å²	65	4%	0.044	34%	0.336	C	S	.	.	B	Isolated β-bridge	trans	-145.9	120.4	-174.1	-176.7	-168.8	65.3	0	0	110.9	I225 A238 T239 T240 C245 E256 N258	I225-M243 HydrophobicContact CB-CE 3.78Å; I225-M243 HydrophobicContact CB-SD 3.75Å; I225-M243 HydrophobicContact CD1-CE 4.17Å; I225-M243 HydrophobicContact CD1-SD 4.02Å; I225-M243 HydrophobicContact CG1-SD 4.33Å; I225-M243 HydrophobicContact CG2-CE 3.59Å; I225-M243 HydrophobicContact CG2-SD 4.27Å; A238-M243 WeakPolarHBondContact O-CE 3.34Å; T239-M243 CarbonylContact C-O 3.58Å; T239-M243 WeakPolarHBondContact CA-O 3.08Å; T240-M243 HydrophobicContact CG2-CE 4.39Å; T240-M243 PolarHBondContact N-O 2.92Å; T240-M243 PolarHBondContact O-N 2.79Å; T240-M243 VanDerWaalsContact O-O 3.13Å; T240-M243 WeakPolarHBondContact OG1-CB 3.43Å; T240-M243 PolarHBondContact OG1-N 3.18Å; M243-C245 VanDerWaalsContact CE-SG 3.52Å; M243-E256 HydrophobicContact CG-CG 3.88Å; M243-E256 WeakPolarHBondContact CG-OE2 3.46Å; M243-N258 WeakPolarHBondContact CA-OD1 3.48Å
244	T	92	Very high	91.9	Very high	53 Å²	53	59.6 Å²	59.6	33%	0.325	31%	0.311	S	S	.	.			trans	-100	117.7	176.6	-58.1	0	0	0	0	109.7	E256 S257 N258	T244-E256 WeakPolarHBondContact O-CA 3.5Å; T244-S257 PolarHBondContact O-N 3.29Å; T244-N258 PolarHBondContact N-OD1 2.89Å
245	C	92.7	Very high	91.7	Very high	6 Å²	6	57.7 Å²	57.7	4%	0.041	30%	0.299	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-101.7	137	170.7	-58.9	0	0	0	0	109.8	C226 C235 A238 T239 M243	C226-C245 VanDerWaalsContact CA-SG 3.56Å; C226-C245 HydrophobicContact CB-CB 3.87Å; C226-C245 WeakPolarHBondContact CB-SG 3.38Å; C226-C245 WeakPolarHBondContact SG-CA 3.39Å; C226-C245 WeakPolarHBondContact SG-CB 3.4Å; C226-C245 CovalentContact SG-SG 2.04Å; C226-C245 PolarHBondContact SG-SG 2.88Å; C235-C245 VanDerWaalsContact O-CB 3.3Å; C235-C245 WeakPolarHBondContact O-CB 3.45Å; A238-C245 HydrophobicContact CB-CB 4.35Å; T239-C245 PolarHBondContact OG1-N 2.91Å; T239-C245 PolarHBondContact OG1-O 2.81Å; T239-C245 VanDerWaalsContact OG1-O 3.1Å; M243-C245 VanDerWaalsContact CE-SG 3.52Å
246	F	92.4	Very high	91.5	Very high	18 Å²	18	59.9 Å²	59.9	8%	0.079	31%	0.309	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-135.7	151.3	169.9	83.3	-81.3	0	0	0	111.1	C235 C248 I255 K266 M267 C270	C235-F246 PolarHBondContact SG-O 2.8Å; F246-C248 HydrophobicContact CE2-CB 4.45Å; F246-I255 HydrophobicContact CD1-CB 4.42Å; F246-I255 HydrophobicContact CE1-CB 3.82Å; F246-I255 HydrophobicContact CE1-CG2 4.07Å; F246-I255 HydrophobicContact CZ-CB 4.11Å; F246-I255 HydrophobicContact CZ-CD1 4.24Å; F246-I255 PolarHBondContact N-O 2.64Å; F246-I255 PolarHBondContact O-N 2.76Å; F246-K266 HydrophobicContact CE1-CB 3.92Å; F246-K266 HydrophobicContact CE1-CD 4.47Å; F246-K266 HydrophobicContact CZ-CB 3.8Å; F246-M267 HydrophobicContact CD2-CG 4.29Å; F246-M267 HydrophobicContact CG-CG 4.49Å; F246-C270 HydrophobicContact CE2-CB 3.8Å; F246-C270 HydrophobicContact CZ-CB 4.44Å
247	W	93.5	Very high	91.3	Very high	38 Å²	38	54.1 Å²	54.1	14%	0.144	28%	0.282	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-87.6	127	-178.1	-178.1	-103	0	0	0	110.8	Y230 C235 E249 K252 C254	Y230-W247 VanDerWaalsContact O-CH2 3.3Å; Y230-W247 WeakPolarHBondContact O-CH2 3.1Å; C235-W247 HydrophobicContact CB-CB 4.28Å; C235-W247 HydrophobicContact CB-CE3 3.94Å; C235-W247 PolarHBondContact SG-N 2.77Å; W247-E249 PolarHBondContact NE1-OE1 2.9Å; W247-E249 PolarHBondContact NE1-OE2 2.8Å; W247-K252 WeakPolarHBondContact CH2-O 3.38Å; W247-K252 HydrophobicContact CZ2-CB 4.46Å; W247-C254 HydrophobicContact CE3-CB 4.08Å; W247-C254 HydrophobicContact CZ3-CB 4.36Å
248	C	92.8	Very high	90.8	Very high	0 Å²	0	48.1 Å²	48.1	0%	0	27%	0.265	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-95.8	102.3	175.6	-170.3	0	0	0	0	109.9	F246 G251 K252 A253 I255 C270	F246-C248 HydrophobicContact CE2-CB 4.45Å; C248-G251 CarbonylContact O-C 3.5Å; C248-G251 PolarHBondContact O-N 2.88Å; C248-K252 WeakPolarHBondContact O-CA 3.4Å; C248-K252 PolarHBondContact O-N 3.19Å; C248-A253 VanDerWaalsContact CB-O 3.27Å; C248-A253 WeakPolarHBondContact CB-O 3.3Å; C248-A253 PolarHBondContact N-O 3.37Å; C248-A253 PolarHBondContact O-N 3.07Å; C248-I255 HydrophobicContact CB-CD1 3.61Å; C248-I255 HydrophobicContact CB-CG1 4.19Å; C248-C270 HydrophobicContact CB-CB 3.72Å; C248-C270 WeakPolarHBondContact CB-SG 3.17Å; C248-C270 WeakPolarHBondContact SG-CB 3.36Å; C248-C270 CovalentContact SG-SG 2.03Å; C248-C270 PolarHBondContact SG-SG 2.92Å
249	E	91.9	Very high	90.3	Very high	102 Å²	102	49.3 Å²	49.3	48%	0.477	27%	0.27	S	S	.	.	T	Hydrogen-bonded Turn	trans	-62.7	-47.9	-174.5	-68.1	-64.5	173.6	0	0	112.6	W247 G251 K252 V272	W247-E249 PolarHBondContact NE1-OE1 2.9Å; W247-E249 PolarHBondContact NE1-OE2 2.8Å; E249-G251 VanDerWaalsContact C-N 3.27Å; E249-G251 PolarHBondContact O-N 2.78Å; E249-K252 PolarHBondContact O-N 2.9Å; E249-V272 HydrophobicContact CB-CG2 3.94Å
250	K	89.1	Confident	89.7	Confident	78 Å²	78	55 Å²	55	34%	0.339	29%	0.292	S	S	.	.	T	Hydrogen-bonded Turn	trans	-60.2	-38.5	175.7	-77	179.2	170.4	166	0	112.2	I42 R271 V272	I42-K250 HydrophobicContact CG2-CB 3.73Å; I42-K250 HydrophobicContact CG2-CD 4.04Å; K250-R271 WeakPolarHBondContact CD-O 3.32Å; K250-R271 WeakPolarHBondContact CE-O 3.07Å; K250-R271 PolarHBondContact NZ-O 2.86Å; K250-V272 HydrophobicContact CG-CG2 4.09Å
251	G	88.4	Confident	89.3	Confident	3 Å²	3	58.9 Å²	58.9	3%	0.031	31%	0.31	C	S	.	.	T	Hydrogen-bonded Turn	trans	-82.6	-14.5	-179.2	0	0	0	0	0	114.9	N40 C248 E249 A253	N40-G251 PolarHBondContact ND2-O 2.84Å; C248-G251 CarbonylContact O-C 3.5Å; C248-G251 PolarHBondContact O-N 2.88Å; E249-G251 VanDerWaalsContact C-N 3.27Å; E249-G251 PolarHBondContact O-N 2.78Å; G251-A253 PolarHBondContact O-N 2.81Å
252	K	90.6	Very high	89.1	Confident	171 Å²	171	53.6 Å²	53.6	74%	0.743	27%	0.272	S	S	*	.	T	Hydrogen-bonded Turn	trans	46.6	39.2	-168.8	-59.3	-177.1	-179.8	178.5	0	112.6	W247 C248 E249	W247-K252 WeakPolarHBondContact CH2-O 3.38Å; W247-K252 HydrophobicContact CZ2-CB 4.46Å; C248-K252 WeakPolarHBondContact O-CA 3.4Å; C248-K252 PolarHBondContact O-N 3.19Å; E249-K252 PolarHBondContact O-N 2.9Å
253	A	91.5	Very high	89	Confident	25 Å²	25	50.9 Å²	50.9	21%	0.207	25%	0.251	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-138.7	146.9	-172.6	0	0	0	0	0	110.6	L52 C248 G251	L52-A253 HydrophobicContact CD1-CB 3.92Å; C248-A253 VanDerWaalsContact CB-O 3.27Å; C248-A253 WeakPolarHBondContact CB-O 3.3Å; C248-A253 PolarHBondContact N-O 3.37Å; C248-A253 PolarHBondContact O-N 3.07Å; G251-A253 PolarHBondContact O-N 2.81Å
254	C	92	Very high	88.8	Confident	3 Å²	3	52.2 Å²	52.2	2%	0.02	27%	0.267	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-91.9	123.3	172.4	-176.7	0	0	0	0	110.1	C226 K229 C235 W247	C226-C254 CarbonylContact C-O 3.58Å; C226-C254 WeakPolarHBondContact O-CB 3.22Å; C226-C254 PolarHBondContact O-SG 3.2Å; K229-C254 HydrophobicContact CB-CB 3.86Å; K229-C254 WeakPolarHBondContact O-CB 3.44Å; C235-C254 WeakPolarHBondContact CA-SG 3.4Å; C235-C254 HydrophobicContact CB-CB 3.56Å; C235-C254 WeakPolarHBondContact CB-SG 3.48Å; C235-C254 VanDerWaalsContact SG-CA 3.56Å; C235-C254 WeakPolarHBondContact SG-CB 3.25Å; C235-C254 CovalentContact SG-SG 2.02Å; C235-C254 PolarHBondContact SG-SG 2.87Å; W247-C254 HydrophobicContact CE3-CB 4.08Å; W247-C254 HydrophobicContact CZ3-CB 4.36Å
255	I	91.6	Very high	88.6	Confident	2 Å²	2	52.7 Å²	52.7	1%	0.01	27%	0.268	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-116.1	141.7	-172.9	-54.9	173.3	0	0	0	109.5	L52 F246 C248	L52-I255 HydrophobicContact CD1-CD1 3.92Å; L52-I255 HydrophobicContact CD1-CG1 4.46Å; L52-I255 HydrophobicContact CD2-CD1 3.72Å; L52-I255 HydrophobicContact CD2-CG1 4.45Å; L52-I255 HydrophobicContact CG-CD1 4.45Å; F246-I255 HydrophobicContact CD1-CB 4.42Å; F246-I255 HydrophobicContact CE1-CB 3.82Å; F246-I255 HydrophobicContact CE1-CG2 4.07Å; F246-I255 HydrophobicContact CZ-CB 4.11Å; F246-I255 HydrophobicContact CZ-CD1 4.24Å; F246-I255 PolarHBondContact N-O 2.64Å; F246-I255 PolarHBondContact O-N 2.76Å; C248-I255 HydrophobicContact CB-CD1 3.61Å; C248-I255 HydrophobicContact CB-CG1 4.19Å
256	E	90.8	Very high	88.3	Confident	46 Å²	46	52.5 Å²	52.5	22%	0.215	27%	0.266	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-80.1	135.4	171.3	-171.5	176.6	107.9	0	0	111.2	G223 C226 M243 T244 N258 K266	G223-E256 WeakPolarHBondContact CA-OE2 3.33Å; C226-E256 HydrophobicContact CB-CB 4.21Å; M243-E256 HydrophobicContact CG-CG 3.88Å; M243-E256 WeakPolarHBondContact CG-OE2 3.46Å; T244-E256 WeakPolarHBondContact O-CA 3.5Å; E256-N258 WeakPolarHBondContact CG-ND2 3.43Å; E256-N258 PolarHBondContact OE1-ND2 3.19Å; E256-K266 PolarHBondContact O-NZ 3.21Å
257	S	88.2	Confident	88.1	Confident	3 Å²	3	54.6 Å²	54.6	2%	0.021	28%	0.277	C	S	.	.			trans	-137.9	64.8	-176.6	-174.7	0	0	0	0	111.9	T244 H263	T244-S257 PolarHBondContact O-N 3.29Å; S257-H263 WeakPolarHBondContact CB-ND1 3.23Å; S257-H263 VanDerWaalsContact OG-CA 3.25Å; S257-H263 WeakPolarHBondContact OG-CA 3.44Å; S257-H263 WeakPolarHBondContact OG-CB 3.41Å; S257-H263 PolarHBondContact OG-ND1 3.39Å
258	N	84.1	Confident	87.8	Confident	67 Å²	67	57.1 Å²	57.1	36%	0.358	29%	0.293	S	S	.	.			trans	-82	-25.5	-177.1	-67.1	-15	0	0	0	114	M243 T244 E256 Q260	M243-N258 WeakPolarHBondContact CA-OD1 3.48Å; T244-N258 PolarHBondContact N-OD1 2.89Å; E256-N258 WeakPolarHBondContact CG-ND2 3.43Å; E256-N258 PolarHBondContact OE1-ND2 3.19Å; N258-Q260 PolarHBondContact O-N 2.84Å
259	D	82.7	Confident	87.6	Confident	38 Å²	38	57.5 Å²	57.5	20%	0.203	30%	0.295	C	S	.	.			trans	-77.7	112.1	174.5	177	5.5	0	0	0	110.2	N261 T262 H263	D259-N261 PolarHBondContact O-N 2.89Å; D259-N261 VanDerWaalsContact OD1-CB 3.3Å; D259-N261 WeakPolarHBondContact OD1-CB 3.42Å; D259-N261 PolarHBondContact OD1-N 3.33Å; D259-N261 PolarHBondContact OD1-ND2 3.49Å; D259-T262 WeakPolarHBondContact CB-OG1 3.23Å; D259-T262 PolarHBondContact O-N 2.84Å; D259-T262 PolarHBondContact O-OG1 2.62Å; D259-T262 WeakPolarHBondContact OD2-CG2 3.35Å; D259-T262 PolarHBondContact OD2-OG1 2.9Å; D259-H263 PolarHBondContact O-N 2.63Å
260	Q	81	Confident	87.5	Confident	180 Å²	180	52.9 Å²	52.9	84%	0.841	27%	0.274	S	S	*	.	H	α-helix	trans	-61.4	-30.6	179.5	-67.4	-173.3	-21.9	0	0	112.5	N258 T262	N258-Q260 PolarHBondContact O-N 2.84Å; Q260-T262 VanDerWaalsContact C-N 3.33Å; Q260-T262 PolarHBondContact O-N 3.32Å
261	N	83.1	Confident	87.3	Confident	151 Å²	151	55.9 Å²	55.9	81%	0.807	28%	0.283	S	S	*	.	H	α-helix	trans	-71.1	-31.4	-179.1	-60.9	-43.5	0	0	0	111.8	D259	D259-N261 PolarHBondContact O-N 2.89Å; D259-N261 VanDerWaalsContact OD1-CB 3.3Å; D259-N261 WeakPolarHBondContact OD1-CB 3.42Å; D259-N261 PolarHBondContact OD1-N 3.33Å; D259-N261 PolarHBondContact OD1-ND2 3.49Å
262	T	84	Confident	86.5	Confident	16 Å²	16	59.9 Å²	59.9	10%	0.098	31%	0.307	C	S	.	.	H	α-helix	trans	-102.5	-6.5	-179.5	59.8	0	0	0	0	113.3	D259 Q260 G264 L265 K266	D259-T262 WeakPolarHBondContact CB-OG1 3.23Å; D259-T262 PolarHBondContact O-N 2.84Å; D259-T262 PolarHBondContact O-OG1 2.62Å; D259-T262 WeakPolarHBondContact OD2-CG2 3.35Å; D259-T262 PolarHBondContact OD2-OG1 2.9Å; Q260-T262 VanDerWaalsContact C-N 3.33Å; Q260-T262 PolarHBondContact O-N 3.32Å; T262-G264 PolarHBondContact O-N 2.8Å; T262-L265 WeakPolarHBondContact O-CB 3.08Å; T262-L265 PolarHBondContact O-N 3.04Å; T262-K266 WeakPolarHBondContact O-CG 3.41Å; T262-K266 PolarHBondContact O-N 3.28Å
263	H	86.1	Confident	85.6	Confident	59 Å²	59	59.5 Å²	59.5	27%	0.273	31%	0.308	S	S	.	.	H	α-helix	trans	-56.9	-53.4	-178.9	178.6	61.8	0	0	0	113.3	S257 D259 L265 K266 M267	S257-H263 WeakPolarHBondContact CB-ND1 3.23Å; S257-H263 VanDerWaalsContact OG-CA 3.25Å; S257-H263 WeakPolarHBondContact OG-CA 3.44Å; S257-H263 WeakPolarHBondContact OG-CB 3.41Å; S257-H263 PolarHBondContact OG-ND1 3.39Å; D259-H263 PolarHBondContact O-N 2.63Å; H263-L265 VanDerWaalsContact C-N 3.28Å; H263-L265 PolarHBondContact O-N 2.77Å; H263-K266 PolarHBondContact O-N 3.2Å; H263-M267 VanDerWaalsContact CE1-SD 3.6Å; H263-M267 PolarHBondContact NE2-SD 3.12Å; H263-M267 VanDerWaalsContact NE2-SD 3.35Å; H263-M267 WeakPolarHBondContact O-CG 3.21Å; H263-M267 PolarHBondContact O-N 3.24Å
264	G	86.2	Confident	83.8	Confident	37 Å²	37	65.4 Å²	65.4	38%	0.381	34%	0.336	S	S	.	.	H	α-helix	trans	-61.4	-37.5	178.8	0	0	0	0	0	112.6	T262 N268	T262-G264 PolarHBondContact O-N 2.8Å; G264-N268 VanDerWaalsContact O-CG 3.24Å; G264-N268 PolarHBondContact O-N 2.84Å; G264-N268 PolarHBondContact O-ND2 3.14Å
265	L	87.1	Confident	81.6	Confident	63 Å²	63	73.6 Å²	73.6	33%	0.33	38%	0.376	S	S	.	.	H	α-helix	trans	-64.1	-51.4	176.5	-178.4	60.8	0	0	0	111.2	T262 H263 M267 N268 D269	T262-L265 WeakPolarHBondContact O-CB 3.08Å; T262-L265 PolarHBondContact O-N 3.04Å; H263-L265 VanDerWaalsContact C-N 3.28Å; H263-L265 PolarHBondContact O-N 2.77Å; L265-M267 VanDerWaalsContact C-N 3.31Å; L265-M267 PolarHBondContact O-N 2.83Å; L265-N268 PolarHBondContact O-N 3.44Å; L265-N268 VanDerWaalsContact O-N 3.08Å; L265-D269 PolarHBondContact O-N 3.26Å
266	K	87.6	Confident	79.4	Confident	2 Å²	2	81.3 Å²	81.3	1%	0.009	42%	0.416	C	S	.	.	H	α-helix	trans	-58.2	-41.1	177.1	-73.1	178.8	178.5	177.4	0	112.4	E220 F246 E256 T262 H263 D269 C270	E220-K266 IonicContact OE1-NZ 2.73Å; E220-K266 PolarHBondContact OE1-NZ 2.82Å; E220-K266 WeakPolarHBondContact OE2-CE 3.12Å; E220-K266 IonicContact OE2-NZ 2.78Å; E220-K266 PolarHBondContact OE2-NZ 2.79Å; F246-K266 HydrophobicContact CE1-CB 3.92Å; F246-K266 HydrophobicContact CE1-CD 4.47Å; F246-K266 HydrophobicContact CZ-CB 3.8Å; E256-K266 PolarHBondContact O-NZ 3.21Å; T262-K266 WeakPolarHBondContact O-CG 3.41Å; T262-K266 PolarHBondContact O-N 3.28Å; H263-K266 PolarHBondContact O-N 3.2Å; K266-D269 PolarHBondContact O-N 3.13Å; K266-C270 WeakPolarHBondContact O-CB 3.33Å; K266-C270 PolarHBondContact O-N 2.99Å
267	M	87.6	Confident	77.2	Confident	63 Å²	63	88.7 Å²	88.7	31%	0.31	46%	0.464	S	S	.	.	H	α-helix	trans	-62	-44	175.4	-73.5	-169.6	81.2	0	0	111.6	F246 H263 L265 C270 R271	F246-M267 HydrophobicContact CD2-CG 4.29Å; F246-M267 HydrophobicContact CG-CG 4.49Å; H263-M267 VanDerWaalsContact CE1-SD 3.6Å; H263-M267 PolarHBondContact NE2-SD 3.12Å; H263-M267 VanDerWaalsContact NE2-SD 3.35Å; H263-M267 WeakPolarHBondContact O-CG 3.21Å; H263-M267 PolarHBondContact O-N 3.24Å; L265-M267 VanDerWaalsContact C-N 3.31Å; L265-M267 PolarHBondContact O-N 2.83Å; M267-C270 PolarHBondContact O-N 2.69Å; M267-R271 WeakPolarHBondContact O-CG 3.46Å; M267-R271 PolarHBondContact O-N 3.27Å
268	N	88	Confident	76.6	Confident	91 Å²	91	93 Å²	93	49%	0.487	49%	0.486	S	S	.	.	H	α-helix	trans	-66.6	-41.4	178.8	-71.1	-21.9	0	0	0	112.1	G264 L265 C270 R271	G264-N268 VanDerWaalsContact O-CG 3.24Å; G264-N268 PolarHBondContact O-N 2.84Å; G264-N268 PolarHBondContact O-ND2 3.14Å; L265-N268 PolarHBondContact O-N 3.44Å; L265-N268 VanDerWaalsContact O-N 3.08Å; N268-C270 PolarHBondContact O-N 2.82Å; N268-R271 PolarHBondContact O-N 3.08Å; N268-R271 PolarHBondContact OD1-NH1 3.3Å
269	D	88.7	Confident	76.2	Confident	8 Å²	8	94.4 Å²	94.4	4%	0.043	49%	0.493	C	S	.	.	H	α-helix	trans	-53.8	-37.4	176	-65.6	-30.2	0	0	0	111.5	I42 Y48 Y50 R59 L265 K266	I42-D269 VanDerWaalsContact CG2-O 3.27Å; I42-D269 WeakPolarHBondContact CG2-O 3.41Å; Y48-D269 WeakPolarHBondContact CE1-OD1 3.47Å; Y48-D269 VanDerWaalsContact CZ-OD1 3.26Å; Y48-D269 PolarHBondContact OH-OD1 2.96Å; Y48-D269 PolarHBondContact OH-OD2 2.62Å; Y50-D269 HydrophobicContact CD1-CB 3.71Å; Y50-D269 HydrophobicContact CE1-CB 4.21Å; Y50-D269 HydrophobicContact CG-CB 4.21Å; R59-D269 IonicContact CZ-OD2 2.8Å; R59-D269 IonicContact NE-OD2 3.04Å; R59-D269 IonicContact NH2-OD2 3.32Å; R59-D269 PolarHBondContact NH2-OD2 3.48Å; L265-D269 PolarHBondContact O-N 3.26Å; K266-D269 PolarHBondContact O-N 3.13Å
270	C	89.2	Confident	75.8	Confident	4 Å²	4	97.5 Å²	97.5	3%	0.027	51%	0.509	C	S	.	.	H	α-helix	trans	-91.4	-9	-174.1	-79.7	0	0	0	0	115.7	F246 C248 K266 M267 N268	F246-C270 HydrophobicContact CE2-CB 3.8Å; F246-C270 HydrophobicContact CZ-CB 4.44Å; C248-C270 HydrophobicContact CB-CB 3.72Å; C248-C270 WeakPolarHBondContact CB-SG 3.17Å; C248-C270 WeakPolarHBondContact SG-CB 3.36Å; C248-C270 CovalentContact SG-SG 2.03Å; C248-C270 PolarHBondContact SG-SG 2.92Å; K266-C270 WeakPolarHBondContact O-CB 3.33Å; K266-C270 PolarHBondContact O-N 2.99Å; M267-C270 PolarHBondContact O-N 2.69Å; N268-C270 PolarHBondContact O-N 2.82Å
271	R	84.5	Confident	75.5	Confident	141 Å²	141	92.6 Å²	92.6	53%	0.532	49%	0.49	S	S	.	.	P	Polyproline II helix	trans	-70.3	139	179.1	-81.1	170.8	-174.8	-175	0.6	110.7	K250 M267 N268	K250-R271 WeakPolarHBondContact CD-O 3.32Å; K250-R271 WeakPolarHBondContact CE-O 3.07Å; K250-R271 PolarHBondContact NZ-O 2.86Å; M267-R271 WeakPolarHBondContact O-CG 3.46Å; M267-R271 PolarHBondContact O-N 3.27Å; N268-R271 PolarHBondContact O-N 3.08Å; N268-R271 PolarHBondContact OD1-NH1 3.3Å
272	V	73	Confident	75.1	Confident	87 Å²	87	89 Å²	89	53%	0.527	47%	0.47	S	S	.	.	P	Polyproline II helix	trans	-77.3	119.6	160	-176.3	0	0	0	0	105.6	E249 K250 N274	E249-V272 HydrophobicContact CB-CG2 3.94Å; K250-V272 HydrophobicContact CG-CG2 4.09Å; V272-N274 PolarHBondContact O-N 2.93Å; V272-N274 VanDerWaalsContact O-N 3.17Å
273	E	69.9	Low	74.5	Confident	163 Å²	163	93.9 Å²	93.9	76%	0.762	50%	0.495	S	S	*	.	P	Polyproline II helix	trans	-60.7	121.4	165.8	-71	-179.3	177.5	0	0	106.4	M275	E273-M275 VanDerWaalsContact C-N 3.34Å; E273-M275 PolarHBondContact O-N 3.2Å
274	N	54.1	Low	73.6	Confident	149 Å²	149	96.4 Å²	96.4	80%	0.797	51%	0.51	S	S	*	.			trans	-59.3	106.2	169.4	-74.7	-16.6	0	0	0	105.9	V272 I276	V272-N274 PolarHBondContact O-N 2.93Å; V272-N274 VanDerWaalsContact O-N 3.17Å; N274-I276 VanDerWaalsContact C-N 3.28Å; N274-I276 PolarHBondContact O-N 3.43Å
275	M	46	Very low	72.7	Confident	176 Å²	176	100.9 Å²	100.9	87%	0.867	52%	0.52	S	S	*	.			trans	-59.1	103.1	163.6	-68.1	-171.5	-178	0	0	105.2	E273 T277	E273-M275 VanDerWaalsContact C-N 3.34Å; E273-M275 PolarHBondContact O-N 3.2Å; M275-T277 PolarHBondContact O-N 2.8Å
276	I	44.6	Very low	71.5	Confident	164 Å²	164	104.1 Å²	104.1	84%	0.841	54%	0.536	S	S	*	.			trans	-66.9	94.9	162.1	-57.6	174.5	0	0	0	103.7	N274	N274-I276 VanDerWaalsContact C-N 3.28Å; N274-I276 PolarHBondContact O-N 3.43Å
277	T	44.6	Very low	70	Confident	201 Å²	201	113.4 Å²	113.4	100%	1.233	58%	0.584	S	S	*	*			trans	-59	0	163.8	29.9	0	0	0	0	110.7	M275	M275-T277 PolarHBondContact O-N 2.8Å

Retrieved 277 of 277 residues in 280.9 ms (Link to these results)

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