A0AA82N7R0_SCHMA Loading...

Egg protein CP391S-like protein AlphaSync

AlphaFold DB , UniProt , Accession A0AA82N7R0, Species SCHMA (Schistosoma mansoni, Blood fluke), Gene n/a, Length 351 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	40.4	Very low	43.6	Very low	201 Å²	201	136 Å²	136	99%	0.99	67%	0.672	S	S	*	*				0	122.1	0	-65.3	158.9	177.5	0	0	108.1	Y3	M1-Y3 HydrophobicContact CB-CD2 3.97Å; M1-Y3 HydrophobicContact CB-CE2 3.44Å; M1-Y3 VanDerWaalsContact CB-CE2 3.44Å; M1-Y3 HydrophobicContact CG-CE2 4.14Å; M1-Y3 HydrophobicContact SD-CE2 3.77Å; M1-Y3 PolarHBondContact SD-OH 3.14Å
2	R	36.6	Very low	45.2	Very low	248 Å²	248	130.7 Å²	130.7	94%	0.936	66%	0.655	S	S	*	*			trans	-85	112.8	168.6	-72.5	178.4	175.4	173.7	-2.1	107
3	Y	47.8	Very low	46.4	Very low	180 Å²	180	125.3 Å²	125.3	71%	0.706	63%	0.633	S	S	*	*	P	Polyproline II helix	trans	-98.9	116.4	172.3	-74.7	-68.3	0	0	0	109.3	M1	M1-Y3 HydrophobicContact CB-CD2 3.97Å; M1-Y3 HydrophobicContact CB-CE2 3.44Å; M1-Y3 VanDerWaalsContact CB-CE2 3.44Å; M1-Y3 HydrophobicContact CG-CE2 4.14Å; M1-Y3 HydrophobicContact SD-CE2 3.77Å; M1-Y3 PolarHBondContact SD-OH 3.14Å
4	I	42.2	Very low	47.5	Very low	152 Å²	152	121.6 Å²	121.6	78%	0.779	62%	0.624	S	S	*	*	P	Polyproline II helix	trans	-73.4	126.6	175.2	-63	167.2	0	0	0	106.9
5	L	40.9	Very low	48.8	Very low	135 Å²	135	120.1 Å²	120.1	71%	0.707	62%	0.616	S	S	*	*	P	Polyproline II helix	trans	-62.5	131.7	173.2	-134	82.8	0	0	0	108.5	C7	L5-C7 PolarHBondContact O-N 3.05Å; L5-C7 VanDerWaalsContact O-N 3.13Å
6	P	40.3	Very low	50	Low	71 Å²	71	118.9 Å²	118.9	46%	0.461	61%	0.611	S	S	.	*	P	Polyproline II helix	trans	-67.2	117.4	-177.7	-16.1	28.9	0	0	0	110.5	S8 F9	P6-S8 WeakPolarHBondContact CB-OG 3.39Å; P6-S8 PolarHBondContact O-N 2.86Å; P6-F9 HydrophobicContact CB-CD2 4.3Å; P6-F9 HydrophobicContact CG-CD2 4.48Å; P6-F9 PolarHBondContact O-N 3.35Å; P6-F9 VanDerWaalsContact O-N 3.11Å
7	C	44.5	Very low	51.2	Low	91 Å²	91	116.2 Å²	116.2	62%	0.615	60%	0.601	S	S	*	*	G	3₁₀ helix	trans	-56.7	-20	176.2	-67.7	0	0	0	0	113.1	L5 F9 L10	L5-C7 PolarHBondContact O-N 3.05Å; L5-C7 VanDerWaalsContact O-N 3.13Å; C7-F9 PolarHBondContact O-N 3.18Å; C7-L10 PolarHBondContact O-N 3.23Å
8	S	45.4	Very low	52.1	Low	77 Å²	77	114.3 Å²	114.3	54%	0.538	59%	0.591	S	S	.	*	G	3₁₀ helix	trans	-61.9	-20.3	175.4	49.6	0	0	0	0	115	P6 P12	P6-S8 WeakPolarHBondContact CB-OG 3.39Å; P6-S8 PolarHBondContact O-N 2.86Å; S8-P12 WeakPolarHBondContact O-CD 3.46Å; S8-P12 WeakPolarHBondContact O-CG 3.35Å
9	F	43.8	Very low	52.8	Low	139 Å²	139	114.3 Å²	114.3	61%	0.61	59%	0.591	S	S	*	*	G	3₁₀ helix	trans	-91.5	-16.5	175.1	-80.9	-79.7	0	0	0	114.4	P6 C7 T13	P6-F9 HydrophobicContact CB-CD2 4.3Å; P6-F9 HydrophobicContact CG-CD2 4.48Å; P6-F9 PolarHBondContact O-N 3.35Å; P6-F9 VanDerWaalsContact O-N 3.11Å; C7-F9 PolarHBondContact O-N 3.18Å; F9-T13 PolarHBondContact O-OG1 3.42Å
10	L	45.8	Very low	53.6	Low	94 Å²	94	112.4 Å²	112.4	49%	0.492	58%	0.582	S	S	.	*	H	α-helix	trans	-78.2	-31.9	175.3	-67.3	170.8	0	0	0	111.8	C7 T13 C14	C7-L10 PolarHBondContact O-N 3.23Å; L10-T13 WeakPolarHBondContact CA-OG1 3.26Å; L10-T13 PolarHBondContact O-OG1 2.8Å; L10-T13 VanDerWaalsContact O-OG1 3.05Å; L10-C14 VanDerWaalsContact O-CB 3.32Å; L10-C14 WeakPolarHBondContact O-CB 2.92Å; L10-C14 PolarHBondContact O-N 3.32Å; L10-C14 PolarHBondContact O-SG 3.42Å; L10-C14 VanDerWaalsContact O-SG 3.36Å
11	I	52.4	Low	54.3	Low	108 Å²	108	110.2 Å²	110.2	55%	0.554	57%	0.573	S	S	*	*	H	α-helix	trans	-64.3	-49.8	-179.8	-58.6	166.4	0	0	0	111.9	T13 C14 L15	I11-T13 VanDerWaalsContact C-N 3.35Å; I11-T13 PolarHBondContact O-N 3.21Å; I11-C14 PolarHBondContact O-N 2.79Å; I11-L15 HydrophobicContact CG2-CD1 3.84Å; I11-L15 HydrophobicContact CG2-CG 4.35Å; I11-L15 WeakPolarHBondContact O-CB 3.45Å; I11-L15 VanDerWaalsContact O-CG 3.25Å; I11-L15 WeakPolarHBondContact O-CG 3.43Å; I11-L15 PolarHBondContact O-N 3.19Å
12	P	62.7	Low	55.6	Low	72 Å²	72	107.3 Å²	107.3	47%	0.468	56%	0.555	S	S	.	*	H	α-helix	trans	-62.5	-38.7	178.2	-23.6	34.4	0	0	0	113.3	S8 L16	S8-P12 WeakPolarHBondContact O-CD 3.46Å; S8-P12 WeakPolarHBondContact O-CG 3.35Å; P12-L16 WeakPolarHBondContact O-CB 3.08Å; P12-L16 PolarHBondContact O-N 3.36Å
13	T	60.1	Low	56.9	Low	61 Å²	61	99.4 Å²	99.4	37%	0.374	53%	0.528	S	S	.	.	H	α-helix	trans	-71.6	-43.2	-178.6	47.3	0	0	0	0	111.5	F9 L10 I11 L16 V17	F9-T13 PolarHBondContact O-OG1 3.42Å; L10-T13 WeakPolarHBondContact CA-OG1 3.26Å; L10-T13 PolarHBondContact O-OG1 2.8Å; L10-T13 VanDerWaalsContact O-OG1 3.05Å; I11-T13 VanDerWaalsContact C-N 3.35Å; I11-T13 PolarHBondContact O-N 3.21Å; T13-L16 PolarHBondContact O-N 3.24Å; T13-V17 WeakPolarHBondContact O-CG2 3.41Å; T13-V17 PolarHBondContact O-N 2.93Å
14	C	61.6	Low	57.8	Low	74 Å²	74	93.5 Å²	93.5	50%	0.5	51%	0.508	S	S	.	.	H	α-helix	trans	-61.8	-44	171.3	-73.6	0	0	0	0	112.5	L10 I11 L16 V17 I18	L10-C14 VanDerWaalsContact O-CB 3.32Å; L10-C14 WeakPolarHBondContact O-CB 2.92Å; L10-C14 PolarHBondContact O-N 3.32Å; L10-C14 PolarHBondContact O-SG 3.42Å; L10-C14 VanDerWaalsContact O-SG 3.36Å; I11-C14 PolarHBondContact O-N 2.79Å; C14-L16 PolarHBondContact O-N 3.17Å; C14-V17 PolarHBondContact O-N 2.94Å; C14-I18 WeakPolarHBondContact O-CB 3.4Å; C14-I18 WeakPolarHBondContact O-CD1 3.39Å; C14-I18 VanDerWaalsContact O-CG1 3.26Å; C14-I18 WeakPolarHBondContact O-CG1 3.42Å; C14-I18 PolarHBondContact O-N 2.89Å
15	L	67.8	Low	59.1	Low	98 Å²	98	88.3 Å²	88.3	51%	0.513	48%	0.482	S	S	.	.	H	α-helix	trans	-61	-44.4	176.7	-73.9	172.4	0	0	0	111.8	I11 V17 I18 L19	I11-L15 HydrophobicContact CG2-CD1 3.84Å; I11-L15 HydrophobicContact CG2-CG 4.35Å; I11-L15 WeakPolarHBondContact O-CB 3.45Å; I11-L15 VanDerWaalsContact O-CG 3.25Å; I11-L15 WeakPolarHBondContact O-CG 3.43Å; I11-L15 PolarHBondContact O-N 3.19Å; L15-V17 PolarHBondContact O-N 2.8Å; L15-I18 PolarHBondContact O-N 2.6Å; L15-L19 WeakPolarHBondContact O-CB 3.33Å; L15-L19 VanDerWaalsContact O-CG 3.29Å; L15-L19 WeakPolarHBondContact O-CG 3.4Å; L15-L19 PolarHBondContact O-N 2.91Å
16	L	68.4	Low	60.4	Low	101 Å²	101	83.5 Å²	83.5	53%	0.529	46%	0.459	S	S	.	.	H	α-helix	trans	-61.1	-44.4	176.8	-175.2	65.4	0	0	0	111.7	P12 T13 C14 L19 L20	P12-L16 WeakPolarHBondContact O-CB 3.08Å; P12-L16 PolarHBondContact O-N 3.36Å; T13-L16 PolarHBondContact O-N 3.24Å; C14-L16 PolarHBondContact O-N 3.17Å; L16-L19 PolarHBondContact O-N 2.82Å; L16-L20 HydrophobicContact CD1-CD1 4.36Å; L16-L20 HydrophobicContact CD1-CG 4.45Å; L16-L20 HydrophobicContact CG-CD1 4.01Å; L16-L20 HydrophobicContact CG-CG 4.5Å; L16-L20 WeakPolarHBondContact O-CB 3.39Å; L16-L20 VanDerWaalsContact O-CG 3.27Å; L16-L20 WeakPolarHBondContact O-CG 3.4Å; L16-L20 PolarHBondContact O-N 2.82Å
17	V	69.6	Low	62	Low	74 Å²	74	82.1 Å²	82.1	45%	0.448	45%	0.446	S	S	.	.	H	α-helix	trans	-64.4	-39.8	176.6	172.2	0	0	0	0	111.7	T13 C14 L15 T21	T13-V17 WeakPolarHBondContact O-CG2 3.41Å; T13-V17 PolarHBondContact O-N 2.93Å; C14-V17 PolarHBondContact O-N 2.94Å; L15-V17 PolarHBondContact O-N 2.8Å; V17-T21 HydrophobicContact CG1-CG2 4.42Å; V17-T21 WeakPolarHBondContact O-CB 3.48Å; V17-T21 WeakPolarHBondContact O-CG2 2.99Å; V17-T21 PolarHBondContact O-N 3.14Å; V17-T21 PolarHBondContact O-OG1 3.39Å
18	I	68.3	Low	63.3	Low	81 Å²	81	81.7 Å²	81.7	42%	0.415	43%	0.434	S	S	.	.	H	α-helix	trans	-65.3	-40.5	175.6	-70.1	160.6	0	0	0	111.3	C14 L15 T21 K22	C14-I18 WeakPolarHBondContact O-CB 3.4Å; C14-I18 WeakPolarHBondContact O-CD1 3.39Å; C14-I18 VanDerWaalsContact O-CG1 3.26Å; C14-I18 WeakPolarHBondContact O-CG1 3.42Å; C14-I18 PolarHBondContact O-N 2.89Å; L15-I18 PolarHBondContact O-N 2.6Å; I18-T21 WeakPolarHBondContact CA-OG1 3.3Å; I18-T21 PolarHBondContact O-OG1 2.65Å; I18-T21 VanDerWaalsContact O-OG1 3.08Å; I18-K22 HydrophobicContact CG2-CD 4.27Å; I18-K22 WeakPolarHBondContact O-CB 3.11Å; I18-K22 VanDerWaalsContact O-CG 3.32Å; I18-K22 WeakPolarHBondContact O-CG 3.42Å; I18-K22 PolarHBondContact O-N 2.8Å
19	L	65.8	Low	64.6	Low	115 Å²	115	78.3 Å²	78.3	60%	0.602	41%	0.41	S	S	*	.	H	α-helix	trans	-67.1	-46.7	177	-71.7	169.1	0	0	0	111.5	L15 L16 K22 F23	L15-L19 WeakPolarHBondContact O-CB 3.33Å; L15-L19 VanDerWaalsContact O-CG 3.29Å; L15-L19 WeakPolarHBondContact O-CG 3.4Å; L15-L19 PolarHBondContact O-N 2.91Å; L16-L19 PolarHBondContact O-N 2.82Å; L19-K22 PolarHBondContact O-N 2.98Å; L19-F23 WeakPolarHBondContact O-CB 3.36Å; L19-F23 PolarHBondContact O-N 2.97Å
20	L	68.5	Low	66.4	Low	76 Å²	76	72 Å²	72	40%	0.398	38%	0.384	S	S	.	.	H	α-helix	trans	-61.9	-43.7	177.5	-71.9	171.1	0	0	0	112.1	L16 F23 I24	L16-L20 HydrophobicContact CD1-CD1 4.36Å; L16-L20 HydrophobicContact CD1-CG 4.45Å; L16-L20 HydrophobicContact CG-CD1 4.01Å; L16-L20 HydrophobicContact CG-CG 4.5Å; L16-L20 WeakPolarHBondContact O-CB 3.39Å; L16-L20 VanDerWaalsContact O-CG 3.27Å; L16-L20 WeakPolarHBondContact O-CG 3.4Å; L16-L20 PolarHBondContact O-N 2.82Å; L20-F23 PolarHBondContact O-N 2.98Å; L20-I24 WeakPolarHBondContact O-CB 3.41Å; L20-I24 WeakPolarHBondContact O-CD1 3.35Å; L20-I24 VanDerWaalsContact O-CG1 3.23Å; L20-I24 WeakPolarHBondContact O-CG1 3.45Å; L20-I24 PolarHBondContact O-N 2.91Å
21	T	67.3	Low	68	Low	66 Å²	66	72.9 Å²	72.9	41%	0.405	39%	0.389	S	S	.	.	H	α-helix	trans	-66.4	-41.1	177.8	47.8	0	0	0	0	112.4	V17 I18 N25	V17-T21 HydrophobicContact CG1-CG2 4.42Å; V17-T21 WeakPolarHBondContact O-CB 3.48Å; V17-T21 WeakPolarHBondContact O-CG2 2.99Å; V17-T21 PolarHBondContact O-N 3.14Å; V17-T21 PolarHBondContact O-OG1 3.39Å; I18-T21 WeakPolarHBondContact CA-OG1 3.3Å; I18-T21 PolarHBondContact O-OG1 2.65Å; I18-T21 VanDerWaalsContact O-OG1 3.08Å; T21-N25 WeakPolarHBondContact O-CB 3.13Å; T21-N25 VanDerWaalsContact O-CG 3.23Å; T21-N25 PolarHBondContact O-N 2.85Å
22	K	67.3	Low	69.1	Low	140 Å²	140	70.7 Å²	70.7	61%	0.609	38%	0.376	S	S	*	.	H	α-helix	trans	-61.1	-42.7	172.1	-76.3	-179.1	177	-174.8	0	112.2	I18 L19 C26	I18-K22 HydrophobicContact CG2-CD 4.27Å; I18-K22 WeakPolarHBondContact O-CB 3.11Å; I18-K22 VanDerWaalsContact O-CG 3.32Å; I18-K22 WeakPolarHBondContact O-CG 3.42Å; I18-K22 PolarHBondContact O-N 2.8Å; L19-K22 PolarHBondContact O-N 2.98Å; K22-C26 WeakPolarHBondContact O-CB 3.44Å; K22-C26 PolarHBondContact O-N 2.9Å
23	F	64.9	Low	69.9	Low	82 Å²	82	67.3 Å²	67.3	36%	0.36	35%	0.354	S	S	.	.	H	α-helix	trans	-63	-49.5	177.9	177.4	-96.2	0	0	0	112.2	L19 L20 N25 C26 Q27 L193 N197	L19-F23 WeakPolarHBondContact O-CB 3.36Å; L19-F23 PolarHBondContact O-N 2.97Å; L20-F23 PolarHBondContact O-N 2.98Å; F23-N25 PolarHBondContact O-N 3.14Å; F23-C26 WeakPolarHBondContact O-CB 3.34Å; F23-C26 PolarHBondContact O-N 3.43Å; F23-Q27 HydrophobicContact CD1-CG 4.49Å; F23-Q27 HydrophobicContact CE1-CG 4.03Å; F23-Q27 HydrophobicContact CE2-CG 4.21Å; F23-Q27 HydrophobicContact CZ-CG 3.88Å; F23-Q27 PolarHBondContact O-N 2.73Å; F23-L193 HydrophobicContact CD2-CD1 3.56Å; F23-L193 HydrophobicContact CE2-CB 4.4Å; F23-L193 HydrophobicContact CE2-CD1 3.55Å; F23-N197 VanDerWaalsContact CE2-OD1 3.29Å; F23-N197 WeakPolarHBondContact CE2-OD1 3.31Å
24	I	67.4	Low	70.5	Confident	56 Å²	56	69.6 Å²	69.6	29%	0.287	36%	0.359	S	S	.	.	H	α-helix	trans	-60.6	-44.8	178.7	-67.9	162.7	0	0	0	111	L20 C26 Q27 F28 V326	L20-I24 WeakPolarHBondContact O-CB 3.41Å; L20-I24 WeakPolarHBondContact O-CD1 3.35Å; L20-I24 VanDerWaalsContact O-CG1 3.23Å; L20-I24 WeakPolarHBondContact O-CG1 3.45Å; L20-I24 PolarHBondContact O-N 2.91Å; I24-C26 VanDerWaalsContact C-N 3.33Å; I24-C26 PolarHBondContact O-N 3.05Å; I24-Q27 PolarHBondContact O-N 2.88Å; I24-F28 WeakPolarHBondContact O-CB 3.49Å; I24-F28 PolarHBondContact O-N 2.8Å; I24-V326 HydrophobicContact CD1-CG1 3.89Å
25	N	68	Low	70.9	Confident	43 Å²	43	72.8 Å²	72.8	23%	0.23	37%	0.371	C	S	.	.	H	α-helix	trans	-63.3	-39.2	177.7	-72.7	-8.6	0	0	0	111.8	T21 F23 T29	T21-N25 WeakPolarHBondContact O-CB 3.13Å; T21-N25 VanDerWaalsContact O-CG 3.23Å; T21-N25 PolarHBondContact O-N 2.85Å; F23-N25 PolarHBondContact O-N 3.14Å; N25-T29 WeakPolarHBondContact O-CB 3.37Å; N25-T29 PolarHBondContact O-N 2.84Å; N25-T29 VanDerWaalsContact O-N 3.11Å; N25-T29 PolarHBondContact O-OG1 3.08Å
26	C	69.7	Low	71.5	Confident	34 Å²	34	69 Å²	69	23%	0.23	35%	0.352	C	S	.	.	H	α-helix	trans	-62.3	-51.1	176.5	-165.9	0	0	0	0	111.5	K22 F23 I24 F28 T29 C30	K22-C26 WeakPolarHBondContact O-CB 3.44Å; K22-C26 PolarHBondContact O-N 2.9Å; F23-C26 WeakPolarHBondContact O-CB 3.34Å; F23-C26 PolarHBondContact O-N 3.43Å; I24-C26 VanDerWaalsContact C-N 3.33Å; I24-C26 PolarHBondContact O-N 3.05Å; C26-F28 PolarHBondContact O-N 2.87Å; C26-T29 WeakPolarHBondContact O-CB 3Å; C26-T29 PolarHBondContact O-N 3.33Å; C26-C30 PolarHBondContact O-N 3.1Å; C26-C30 VanDerWaalsContact O-N 3.11Å; C26-C30 PolarHBondContact O-SG 2.82Å
27	Q	72.8	Confident	72.3	Confident	42 Å²	42	72 Å²	72	20%	0.196	36%	0.36	C	S	.	.	H	α-helix	trans	-60.9	-46.6	-179.1	-74.4	-69.4	13.6	0	0	112.4	F23 I24 T29 C30 D31 L193	F23-Q27 HydrophobicContact CD1-CG 4.49Å; F23-Q27 HydrophobicContact CE1-CG 4.03Å; F23-Q27 HydrophobicContact CE2-CG 4.21Å; F23-Q27 HydrophobicContact CZ-CG 3.88Å; F23-Q27 PolarHBondContact O-N 2.73Å; I24-Q27 PolarHBondContact O-N 2.88Å; Q27-T29 VanDerWaalsContact C-N 3.29Å; Q27-T29 PolarHBondContact O-N 3.42Å; Q27-C30 WeakPolarHBondContact O-CB 3.47Å; Q27-C30 PolarHBondContact O-N 3.25Å; Q27-C30 VanDerWaalsContact O-N 3.13Å; Q27-D31 PolarHBondContact O-N 2.85Å; Q27-L193 PolarHBondContact NE2-O 3.06Å; Q27-L193 PolarHBondContact OE1-O 3.42Å; Q27-L193 VanDerWaalsContact OE1-O 3.11Å
28	F	72.5	Confident	73.1	Confident	83 Å²	83	69.6 Å²	69.6	36%	0.364	34%	0.344	S	S	.	.	H	α-helix	trans	-61	-38.9	177.6	-173.2	-84.4	0	0	0	112.5	I24 C26 C30 H32 M269	I24-F28 WeakPolarHBondContact O-CB 3.49Å; I24-F28 PolarHBondContact O-N 2.8Å; C26-F28 PolarHBondContact O-N 2.87Å; F28-C30 VanDerWaalsContact C-N 3.32Å; F28-C30 PolarHBondContact O-N 2.95Å; F28-H32 VanDerWaalsContact O-CB 3.3Å; F28-H32 WeakPolarHBondContact O-CB 3.26Å; F28-H32 PolarHBondContact O-N 3.42Å; F28-H32 VanDerWaalsContact O-N 3.11Å; F28-M269 HydrophobicContact CB-CE 4.42Å; F28-M269 HydrophobicContact CD1-CE 3.28Å; F28-M269 HydrophobicContact CD1-CG 4.48Å; F28-M269 HydrophobicContact CD1-SD 3.81Å; F28-M269 HydrophobicContact CE1-CE 3.71Å; F28-M269 HydrophobicContact CE1-SD 3.9Å; F28-M269 HydrophobicContact CG-CE 3.98Å
29	T	72.8	Confident	74.3	Confident	5 Å²	5	69.5 Å²	69.5	3%	0.031	34%	0.342	C	S	.	.	H	α-helix	trans	-59.2	-46.2	175.7	-57.2	0	0	0	0	110.1	N25 C26 Q27 H32 I33 Y190 K266	N25-T29 WeakPolarHBondContact O-CB 3.37Å; N25-T29 PolarHBondContact O-N 2.84Å; N25-T29 VanDerWaalsContact O-N 3.11Å; N25-T29 PolarHBondContact O-OG1 3.08Å; C26-T29 WeakPolarHBondContact O-CB 3Å; C26-T29 PolarHBondContact O-N 3.33Å; Q27-T29 VanDerWaalsContact C-N 3.29Å; Q27-T29 PolarHBondContact O-N 3.42Å; T29-H32 PolarHBondContact O-N 2.96Å; T29-I33 HydrophobicContact CG2-CD1 3.48Å; T29-I33 VanDerWaalsContact CG2-CD1 3.48Å; T29-I33 VanDerWaalsContact O-CB 3.3Å; T29-I33 WeakPolarHBondContact O-CB 3.3Å; T29-I33 WeakPolarHBondContact O-CD1 3.37Å; T29-I33 WeakPolarHBondContact O-CG1 3.37Å; T29-I33 PolarHBondContact O-N 3.38Å; T29-I33 VanDerWaalsContact O-N 3.16Å; T29-Y190 HydrophobicContact CG2-CD1 4.44Å; T29-Y190 HydrophobicContact CG2-CE1 4.37Å; T29-K266 HydrophobicContact CG2-CB 4.47Å
30	C	81.4	Confident	75.6	Confident	8 Å²	8	68.6 Å²	68.6	5%	0.054	33%	0.333	C	S	.	.	H	α-helix	trans	-64.6	-47.8	179.9	-64.8	0	0	0	0	113.6	C26 Q27 F28 H32 I33 K34 C192	C26-C30 PolarHBondContact O-N 3.1Å; C26-C30 VanDerWaalsContact O-N 3.11Å; C26-C30 PolarHBondContact O-SG 2.82Å; Q27-C30 WeakPolarHBondContact O-CB 3.47Å; Q27-C30 PolarHBondContact O-N 3.25Å; Q27-C30 VanDerWaalsContact O-N 3.13Å; F28-C30 VanDerWaalsContact C-N 3.32Å; F28-C30 PolarHBondContact O-N 2.95Å; C30-H32 PolarHBondContact O-N 2.94Å; C30-I33 PolarHBondContact O-N 2.69Å; C30-K34 WeakPolarHBondContact O-CB 3.27Å; C30-K34 PolarHBondContact O-N 2.7Å; C30-C192 HydrophobicContact CB-CB 3.8Å; C30-C192 WeakPolarHBondContact CB-SG 2.97Å; C30-C192 WeakPolarHBondContact SG-CA 3.41Å; C30-C192 WeakPolarHBondContact SG-CB 3.14Å; C30-C192 CovalentContact SG-SG 2.02Å; C30-C192 PolarHBondContact SG-SG 3.22Å
31	D	78.3	Confident	77	Confident	112 Å²	112	69 Å²	69	60%	0.599	34%	0.335	S	S	*	.	H	α-helix	trans	-59.5	-35.5	176.7	-77.6	-23.7	0	0	0	112.3	Q27	Q27-D31 PolarHBondContact O-N 2.85Å
32	H	75.7	Confident	78.4	Confident	62 Å²	62	70.2 Å²	70.2	29%	0.287	34%	0.338	S	S	.	.	H	α-helix	trans	-75.4	-25.3	-179.5	-165.3	-131	0	0	0	113.5	F28 T29 C30 G260 R261	F28-H32 VanDerWaalsContact O-CB 3.3Å; F28-H32 WeakPolarHBondContact O-CB 3.26Å; F28-H32 PolarHBondContact O-N 3.42Å; F28-H32 VanDerWaalsContact O-N 3.11Å; T29-H32 PolarHBondContact O-N 2.96Å; C30-H32 PolarHBondContact O-N 2.94Å; H32-G260 PolarHBondContact ND1-O 3.5Å; H32-R261 WeakPolarHBondContact CE1-CG 3.29Å; H32-R261 PolarHBondContact CE1-NE 2.92Å; H32-R261 PolarHBondContact NE2-NE 2.89Å; H32-R261 PolarHBondContact NE2-NH2 3.34Å
33	I	79.6	Confident	79.8	Confident	1 Å²	1	66.1 Å²	66.1	1%	0.005	33%	0.327	C	S	.	.	H	α-helix	trans	-98.8	-34.1	-172.2	-72.6	177.1	0	0	0	112.4	T29 C30 N35 V36 Y190 Y204	T29-I33 HydrophobicContact CG2-CD1 3.48Å; T29-I33 VanDerWaalsContact CG2-CD1 3.48Å; T29-I33 VanDerWaalsContact O-CB 3.3Å; T29-I33 WeakPolarHBondContact O-CB 3.3Å; T29-I33 WeakPolarHBondContact O-CD1 3.37Å; T29-I33 WeakPolarHBondContact O-CG1 3.37Å; T29-I33 PolarHBondContact O-N 3.38Å; T29-I33 VanDerWaalsContact O-N 3.16Å; C30-I33 PolarHBondContact O-N 2.69Å; I33-N35 PolarHBondContact O-N 2.69Å; I33-V36 WeakPolarHBondContact O-CB 3.48Å; I33-V36 WeakPolarHBondContact O-CG2 3.42Å; I33-V36 PolarHBondContact O-N 2.81Å; I33-Y190 HydrophobicContact CD1-CD1 3.93Å; I33-Y190 HydrophobicContact CD1-CD2 4.08Å; I33-Y190 HydrophobicContact CD1-CE1 3.56Å; I33-Y190 HydrophobicContact CD1-CE2 3.69Å; I33-Y190 HydrophobicContact CD1-CG 4.14Å; I33-Y190 HydrophobicContact CG2-CD2 3.55Å; I33-Y190 HydrophobicContact CG2-CE2 3.66Å; I33-Y190 HydrophobicContact CG2-CG 4.2Å; I33-Y204 HydrophobicContact CG2-CD2 3.52Å; I33-Y204 HydrophobicContact CG2-CE2 4.37Å; I33-Y204 HydrophobicContact CG2-CG 4.06Å
34	K	73	Confident	81.4	Confident	109 Å²	109	66.4 Å²	66.4	47%	0.474	33%	0.33	S	S	.	.	T	Hydrogen-bonded Turn	trans	-54.9	-25.9	-173.9	-178.7	164.6	-176.6	136.8	0	115	C30 E202	C30-K34 WeakPolarHBondContact O-CB 3.27Å; C30-K34 PolarHBondContact O-N 2.7Å; K34-E202 WeakPolarHBondContact CE-OE2 3.17Å; K34-E202 IonicContact NZ-OE1 2.64Å; K34-E202 PolarHBondContact NZ-OE1 3.42Å; K34-E202 IonicContact NZ-OE2 2.89Å; K34-E202 PolarHBondContact NZ-OE2 2.93Å
35	N	70.9	Confident	82.7	Confident	141 Å²	141	67.8 Å²	67.8	75%	0.754	34%	0.337	S	S	*	.	T	Hydrogen-bonded Turn	trans	-103.3	7.8	179.8	-58.3	-53.2	0	0	0	113.5	I33 K37	I33-N35 PolarHBondContact O-N 2.69Å; N35-K37 PolarHBondContact O-N 3.32Å
36	V	80.2	Confident	84	Confident	18 Å²	18	69.7 Å²	69.7	11%	0.109	36%	0.359	C	S	.	.			trans	-78.4	107.4	177.4	-177	0	0	0	0	109.5	I33 Y54 Y204 N205 R261	I33-V36 WeakPolarHBondContact O-CB 3.48Å; I33-V36 WeakPolarHBondContact O-CG2 3.42Å; I33-V36 PolarHBondContact O-N 2.81Å; V36-Y54 HydrophobicContact CG1-CD2 4.38Å; V36-Y54 HydrophobicContact CG1-CE2 4.01Å; V36-Y204 HydrophobicContact CB-CD2 4Å; V36-Y204 HydrophobicContact CB-CE2 3.65Å; V36-Y204 HydrophobicContact CG1-CD2 4.28Å; V36-Y204 HydrophobicContact CG1-CE2 3.53Å; V36-Y204 HydrophobicContact CG2-CE2 4.11Å; V36-N205 HydrophobicContact CG1-CB 4.49Å; V36-N205 WeakPolarHBondContact O-CA 3.07Å; V36-N205 PolarHBondContact O-N 3.05Å; V36-R261 HydrophobicContact CG2-CB 4.21Å; V36-R261 HydrophobicContact CG2-CG 4.32Å
37	K	83.5	Confident	85.2	Confident	164 Å²	164	70.9 Å²	70.9	71%	0.713	37%	0.366	S	S	*	.			trans	-127.3	117.7	164.6	-177.3	177.8	-178.2	178.9	0	107.4	N35	N35-K37 PolarHBondContact O-N 3.32Å
38	H	88.2	Confident	86.4	Confident	24 Å²	24	72.4 Å²	72.4	11%	0.111	37%	0.37	C	S	.	.			trans	-126.2	125.4	171.4	178.6	98.1	0	0	0	109.1	H53 Y54 N205 D245	H38-H53 WeakPolarHBondContact O-CA 3.31Å; H38-Y54 HydrophobicContact CB-CD1 4.15Å; H38-Y54 HydrophobicContact CB-CD2 3.49Å; H38-Y54 VanDerWaalsContact CB-CD2 3.49Å; H38-Y54 HydrophobicContact CB-CE1 3.91Å; H38-Y54 HydrophobicContact CB-CE2 3.2Å; H38-Y54 HydrophobicContact CB-CG 3.94Å; H38-Y54 VanDerWaalsContact CB-CZ 3.41Å; H38-Y54 AromaticContact CD2-CD1 3.65Å; H38-Y54 AromaticContact CD2-CE1 3.75Å; H38-Y54 AromaticContact CE1-CE1 3.47Å; H38-Y54 VanDerWaalsContact CE1-CE1 3.47Å; H38-Y54 WeakPolarHBondContact CE1-CE1 3.43Å; H38-Y54 AromaticContact CG-CD1 3.66Å; H38-Y54 AromaticContact CG-CD2 3.97Å; H38-Y54 AromaticContact CG-CE1 3.36Å; H38-Y54 AromaticContact CG-CE2 3.69Å; H38-Y54 AromaticContact CG-CG 3.93Å; H38-Y54 AromaticContact CG-CZ 3.35Å; H38-Y54 AromaticContact ND1-CD1 3.91Å; H38-Y54 AromaticContact ND1-CE1 3.17Å; H38-Y54 WeakPolarHBondContact ND1-CE1 3.3Å; H38-Y54 AromaticContact ND1-CZ 3.23Å; H38-Y54 PolarHBondContact ND1-OH 2.8Å; H38-Y54 AromaticContact NE2-CD1 3.91Å; H38-Y54 AromaticContact NE2-CE1 3.83Å; H38-N205 PolarHBondContact N-OD1 3.15Å; H38-N205 PolarHBondContact O-OD1 3.35Å; H38-D245 IonicContact CE1-OD2 3.94Å
39	E	93	Very high	87.6	Confident	78 Å²	78	69.4 Å²	69.4	36%	0.364	36%	0.356	S	S	.	.			trans	-141.9	127.7	170.1	170.4	169	-133.1	0	0	107.3	I41 R49 D52 H53	E39-I41 HydrophobicContact CG-CG1 4.45Å; E39-R49 IonicContact OE1-CZ 2.71Å; E39-R49 IonicContact OE1-NE 2.81Å; E39-R49 IonicContact OE1-NH2 3.24Å; E39-R49 PolarHBondContact OE1-NH2 2.9Å; E39-R49 IonicContact OE2-NH2 2.63Å; E39-D52 WeakPolarHBondContact CA-O 3.4Å; E39-H53 IonicContact OE1-CE1 3.25Å; E39-H53 PolarHBondContact OE1-CE1 2.89Å; E39-H53 VanDerWaalsContact OE1-CE1 3.25Å; E39-H53 IonicContact OE1-NE2 3.36Å
40	K	93.6	Very high	88.9	Confident	96 Å²	96	72 Å²	72	42%	0.417	37%	0.366	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-127.7	103.5	175.2	-177.3	-179.8	-170.1	167.5	0	108.7	I42 S51 D52 D245	K40-I42 PolarHBondContact O-N 3.09Å; K40-S51 CarbonylContact O-C 3.34Å; K40-S51 WeakPolarHBondContact O-CA 3.38Å; K40-S51 WeakPolarHBondContact O-CB 3.38Å; K40-D52 HydrophobicContact CB-CB 4.35Å; K40-D52 PolarHBondContact N-O 2.93Å; K40-D52 PolarHBondContact O-N 3.36Å; K40-D245 IonicContact NZ-OD2 3.87Å; K40-D245 PolarHBondContact NZ-OD2 3.23Å
41	I	96.5	Very high	89.6	Confident	85 Å²	85	71.6 Å²	71.6	44%	0.436	36%	0.363	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-68.2	120	174.3	-55.1	174.3	0	0	0	108	E39 E44	E39-I41 HydrophobicContact CG-CG1 4.45Å; I41-E44 HydrophobicContact CG2-CB 3.99Å
42	I	96.5	Very high	90.4	Very high	91 Å²	91	67 Å²	67	47%	0.467	34%	0.339	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-92.7	-39.4	179.4	-64.3	168.2	0	0	0	109.8	K40 Y50 D52 F57	K40-I42 PolarHBondContact O-N 3.09Å; I42-Y50 HydrophobicContact CB-CD1 3.78Å; I42-Y50 HydrophobicContact CB-CE1 4.38Å; I42-Y50 HydrophobicContact CD1-CD1 3.75Å; I42-Y50 HydrophobicContact CD1-CE1 3.51Å; I42-Y50 HydrophobicContact CG1-CD1 4.34Å; I42-Y50 HydrophobicContact CG2-CD1 3.83Å; I42-Y50 HydrophobicContact CG2-CE1 4.28Å; I42-Y50 PolarHBondContact N-O 3.06Å; I42-D52 HydrophobicContact CD1-CB 4.16Å; I42-F57 HydrophobicContact CD1-CE1 4.43Å
43	S	97.4	Very high	91.3	Very high	55 Å²	55	64.2 Å²	64.2	39%	0.385	33%	0.326	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-156.1	142.7	177.8	-170.5	0	0	0	0	110.3	R49 Y50	S43-R49 CarbonylContact O-C 3.59Å; S43-R49 WeakPolarHBondContact O-CA 3.14Å; S43-Y50 PolarHBondContact N-O 3.14Å; S43-Y50 PolarHBondContact O-N 3.13Å
44	E	97.6	Very high	91.7	Very high	88 Å²	88	66.1 Å²	66.1	41%	0.411	33%	0.333	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-151.8	143.1	177.2	-179.7	163.9	109.5	0	0	111.6	I41 Y48 R49 F213	I41-E44 HydrophobicContact CG2-CB 3.99Å; E44-Y48 CarbonylContact C-O 3.52Å; E44-Y48 WeakPolarHBondContact CA-O 3.43Å; E44-R49 HydrophobicContact CG-CB 4.45Å; E44-R49 HydrophobicContact CG-CG 4.49Å; E44-R49 IonicContact OE1-NH1 3.49Å; E44-R49 WeakPolarHBondContact OE2-CD 3.4Å; E44-R49 VanDerWaalsContact OE2-CG 3.32Å; E44-R49 WeakPolarHBondContact OE2-CG 3.32Å; E44-R49 IonicContact OE2-CZ 3.38Å; E44-R49 IonicContact OE2-NE 3.19Å; E44-R49 PolarHBondContact OE2-NE 3.03Å; E44-R49 IonicContact OE2-NH1 2.8Å; E44-R49 PolarHBondContact OE2-NH1 2.95Å; E44-F213 HydrophobicContact CG-CZ 4.34Å
45	N	96.1	Very high	92.6	Very high	84 Å²	84	61 Å²	61	45%	0.449	31%	0.311	S	S	.	.			trans	-148.6	-166.5	164.8	68.7	46.1	0	0	0	109.7	T47 Y48 F213	N45-T47 VanDerWaalsContact C-N 3.31Å; N45-T47 PolarHBondContact O-N 2.82Å; N45-T47 PolarHBondContact OD1-N 2.8Å; N45-T47 PolarHBondContact OD1-OG1 2.81Å; N45-Y48 PolarHBondContact N-O 2.86Å; N45-Y48 PolarHBondContact OD1-N 2.96Å; N45-F213 WeakPolarHBondContact O-CZ 3.29Å
46	A	94.6	Very high	93.8	Very high	83 Å²	83	54.4 Å²	54.4	69%	0.686	28%	0.275	S	S	*	.	S	Bend	trans	-69.5	-19	-175.4	0	0	0	0	0	115.9
47	T	95.8	Very high	94.6	Very high	60 Å²	60	55.4 Å²	55.4	37%	0.368	28%	0.278	S	S	.	.	S	Bend	trans	-127.2	-3.3	-176.6	56.7	0	0	0	0	113.8	N45 V62	N45-T47 VanDerWaalsContact C-N 3.31Å; N45-T47 PolarHBondContact O-N 2.82Å; N45-T47 PolarHBondContact OD1-N 2.8Å; N45-T47 PolarHBondContact OD1-OG1 2.81Å; T47-V62 HydrophobicContact CG2-CB 4.4Å; T47-V62 PolarHBondContact O-N 2.86Å
48	Y	97.6	Very high	95.3	Very high	73 Å²	73	47.6 Å²	47.6	29%	0.286	24%	0.244	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-141.1	139.7	-179.3	174.3	-107.4	0	0	0	112.3	E44 N45 Y50 T59 V60 L61	E44-Y48 CarbonylContact C-O 3.52Å; E44-Y48 WeakPolarHBondContact CA-O 3.43Å; N45-Y48 PolarHBondContact N-O 2.86Å; N45-Y48 PolarHBondContact OD1-N 2.96Å; Y48-Y50 WeakPolarHBondContact OH-CB 3.24Å; Y48-T59 HydrophobicContact CE2-CG2 3.92Å; Y48-V60 CarbonylContact C-O 3.54Å; Y48-V60 VanDerWaalsContact CA-O 3.27Å; Y48-V60 WeakPolarHBondContact CA-O 3.23Å; Y48-L61 HydrophobicContact CD2-CD2 3.66Å; Y48-L61 HydrophobicContact CD2-CG 4.33Å; Y48-L61 HydrophobicContact CE2-CD2 4.24Å
49	R	98.2	Very high	95.8	Very high	20 Å²	20	47.5 Å²	47.5	8%	0.075	25%	0.246	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-140.2	142.5	167	-179.1	-176.7	178.4	124	-13.5	110.1	E39 S43 E44 T59 V60 P210 F213	E39-R49 IonicContact OE1-CZ 2.71Å; E39-R49 IonicContact OE1-NE 2.81Å; E39-R49 IonicContact OE1-NH2 3.24Å; E39-R49 PolarHBondContact OE1-NH2 2.9Å; E39-R49 IonicContact OE2-NH2 2.63Å; S43-R49 CarbonylContact O-C 3.59Å; S43-R49 WeakPolarHBondContact O-CA 3.14Å; E44-R49 HydrophobicContact CG-CB 4.45Å; E44-R49 HydrophobicContact CG-CG 4.49Å; E44-R49 IonicContact OE1-NH1 3.49Å; E44-R49 WeakPolarHBondContact OE2-CD 3.4Å; E44-R49 VanDerWaalsContact OE2-CG 3.32Å; E44-R49 WeakPolarHBondContact OE2-CG 3.32Å; E44-R49 IonicContact OE2-CZ 3.38Å; E44-R49 IonicContact OE2-NE 3.19Å; E44-R49 PolarHBondContact OE2-NE 3.03Å; E44-R49 IonicContact OE2-NH1 2.8Å; E44-R49 PolarHBondContact OE2-NH1 2.95Å; R49-T59 CarbonylContact O-C 3.56Å; R49-T59 WeakPolarHBondContact O-CA 3.17Å; R49-V60 HydrophobicContact CB-CB 4.22Å; R49-V60 HydrophobicContact CB-CG2 4.39Å; R49-V60 PolarHBondContact N-O 2.95Å; R49-V60 PolarHBondContact O-N 2.8Å; R49-P210 VanDerWaalsContact CZ-CG 3.43Å; R49-F213 HydrophobicContact CB-CE1 4.26Å; R49-F213 HydrophobicContact CB-CE2 4.01Å; R49-F213 HydrophobicContact CB-CZ 3.74Å
50	Y	98.4	Very high	96	Very high	60 Å²	60	43.8 Å²	43.8	24%	0.235	23%	0.229	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-136.6	126.2	171.6	-174.8	-121.5	0	0	0	110.5	I42 S43 Y48 F57 Q58 T59	I42-Y50 HydrophobicContact CB-CD1 3.78Å; I42-Y50 HydrophobicContact CB-CE1 4.38Å; I42-Y50 HydrophobicContact CD1-CD1 3.75Å; I42-Y50 HydrophobicContact CD1-CE1 3.51Å; I42-Y50 HydrophobicContact CG1-CD1 4.34Å; I42-Y50 HydrophobicContact CG2-CD1 3.83Å; I42-Y50 HydrophobicContact CG2-CE1 4.28Å; I42-Y50 PolarHBondContact N-O 3.06Å; S43-Y50 PolarHBondContact N-O 3.14Å; S43-Y50 PolarHBondContact O-N 3.13Å; Y48-Y50 WeakPolarHBondContact OH-CB 3.24Å; Y50-F57 HydrophobicContact CE2-CB 3.79Å; Y50-F57 HydrophobicContact CE2-CD1 4.4Å; Y50-F57 HydrophobicContact CE2-CG 4.26Å; Y50-F57 AromaticContact CZ-CD1 3.92Å; Y50-F57 WeakPolarHBondContact OH-CD1 3.34Å; Y50-F57 WeakPolarHBondContact OH-CG 3.5Å; Y50-Q58 WeakPolarHBondContact CA-O 3.35Å; Y50-T59 WeakPolarHBondContact CD2-OG1 3.33Å
51	S	97.5	Very high	96.2	Very high	0 Å²	0	41.4 Å²	41.4	0%	0	22%	0.22	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-142	146.8	-178.3	43.8	0	0	0	0	114	K40 H53 F57 Q58	K40-S51 CarbonylContact O-C 3.34Å; K40-S51 WeakPolarHBondContact O-CA 3.38Å; K40-S51 WeakPolarHBondContact O-CB 3.38Å; S51-H53 PolarHBondContact OG-NE2 2.77Å; S51-F57 CarbonylContact O-C 3.58Å; S51-F57 WeakPolarHBondContact O-CA 3.39Å; S51-Q58 PolarHBondContact N-O 2.78Å; S51-Q58 PolarHBondContact O-N 2.78Å
52	D	94.6	Very high	96.2	Very high	14 Å²	14	37.7 Å²	37.7	8%	0.075	20%	0.201	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-92.1	131.3	170.7	-169.3	-18.2	0	0	0	109.4	E39 K40 I42 Y54 F57 N225 K243	E39-D52 WeakPolarHBondContact CA-O 3.4Å; K40-D52 HydrophobicContact CB-CB 4.35Å; K40-D52 PolarHBondContact N-O 2.93Å; K40-D52 PolarHBondContact O-N 3.36Å; I42-D52 HydrophobicContact CD1-CB 4.16Å; D52-Y54 PolarHBondContact OD1-N 2.78Å; D52-F57 HydrophobicContact CB-CD1 3.89Å; D52-F57 HydrophobicContact CB-CE1 3.74Å; D52-F57 WeakPolarHBondContact OD2-CE1 3.21Å; D52-N225 PolarHBondContact OD1-ND2 3.08Å; D52-N225 PolarHBondContact OD2-ND2 3.09Å; D52-K243 IonicContact OD2-NZ 3.28Å
53	H	93.5	Very high	96	Very high	5 Å²	5	40.5 Å²	40.5	2%	0.023	21%	0.213	C	C	.	.			trans	-127.8	43.2	177	-56.6	-98.1	0	0	0	110.8	H38 E39 S51 E55 Y56 N205 I207	H38-H53 WeakPolarHBondContact O-CA 3.31Å; E39-H53 IonicContact OE1-CE1 3.25Å; E39-H53 PolarHBondContact OE1-CE1 2.89Å; E39-H53 VanDerWaalsContact OE1-CE1 3.25Å; E39-H53 IonicContact OE1-NE2 3.36Å; S51-H53 PolarHBondContact OG-NE2 2.77Å; H53-E55 VanDerWaalsContact C-N 3.27Å; H53-E55 PolarHBondContact O-N 2.9Å; H53-Y56 WeakPolarHBondContact CB-O 3.46Å; H53-Y56 PolarHBondContact N-O 2.98Å; H53-N205 PolarHBondContact O-ND2 2.92Å; H53-I207 HydrophobicContact CB-CD1 3.53Å; H53-I207 HydrophobicContact CB-CG1 3.71Å; H53-I207 HydrophobicContact CB-CG2 4.45Å
54	Y	88.9	Confident	95.9	Very high	41 Å²	41	40.7 Å²	40.7	16%	0.161	21%	0.207	C	C	.	.	S	Bend	trans	59.2	-68.4	-174.5	-67.2	-35	0	0	0	115.5	V36 H38 D52 N225 S228 M246	V36-Y54 HydrophobicContact CG1-CD2 4.38Å; V36-Y54 HydrophobicContact CG1-CE2 4.01Å; H38-Y54 HydrophobicContact CB-CD1 4.15Å; H38-Y54 HydrophobicContact CB-CD2 3.49Å; H38-Y54 VanDerWaalsContact CB-CD2 3.49Å; H38-Y54 HydrophobicContact CB-CE1 3.91Å; H38-Y54 HydrophobicContact CB-CE2 3.2Å; H38-Y54 HydrophobicContact CB-CG 3.94Å; H38-Y54 VanDerWaalsContact CB-CZ 3.41Å; H38-Y54 AromaticContact CD2-CD1 3.65Å; H38-Y54 AromaticContact CD2-CE1 3.75Å; H38-Y54 AromaticContact CE1-CE1 3.47Å; H38-Y54 VanDerWaalsContact CE1-CE1 3.47Å; H38-Y54 WeakPolarHBondContact CE1-CE1 3.43Å; H38-Y54 AromaticContact CG-CD1 3.66Å; H38-Y54 AromaticContact CG-CD2 3.97Å; H38-Y54 AromaticContact CG-CE1 3.36Å; H38-Y54 AromaticContact CG-CE2 3.69Å; H38-Y54 AromaticContact CG-CG 3.93Å; H38-Y54 AromaticContact CG-CZ 3.35Å; H38-Y54 AromaticContact ND1-CD1 3.91Å; H38-Y54 AromaticContact ND1-CE1 3.17Å; H38-Y54 WeakPolarHBondContact ND1-CE1 3.3Å; H38-Y54 AromaticContact ND1-CZ 3.23Å; H38-Y54 PolarHBondContact ND1-OH 2.8Å; H38-Y54 AromaticContact NE2-CD1 3.91Å; H38-Y54 AromaticContact NE2-CE1 3.83Å; D52-Y54 PolarHBondContact OD1-N 2.78Å; Y54-N225 WeakPolarHBondContact O-CB 3.47Å; Y54-N225 PolarHBondContact O-ND2 3.38Å; Y54-N225 VanDerWaalsContact O-ND2 3.09Å; Y54-S228 WeakPolarHBondContact O-CB 2.97Å; Y54-M246 HydrophobicContact CD1-SD 4.01Å; Y54-M246 HydrophobicContact CE1-CB 4.2Å; Y54-M246 HydrophobicContact CE1-CG 4.49Å; Y54-M246 HydrophobicContact CE1-SD 4.36Å
55	E	91.8	Very high	95.6	Very high	1 Å²	1	40.9 Å²	40.9	1%	0.005	22%	0.216	C	C	.	.	S	Bend	trans	-85.7	-24	-174.5	-68.7	67.5	-138.5	0	0	113.2	H53 Y92 Y204 N205 N225 F230	H53-E55 VanDerWaalsContact C-N 3.27Å; H53-E55 PolarHBondContact O-N 2.9Å; E55-Y92 HydrophobicContact CB-CD1 3.65Å; E55-Y92 HydrophobicContact CB-CE1 3.89Å; E55-Y92 HydrophobicContact CB-CG 4.38Å; E55-Y92 HydrophobicContact CG-CD1 3.66Å; E55-Y92 HydrophobicContact CG-CE1 4.14Å; E55-Y204 VanDerWaalsContact CD-CE1 3.45Å; E55-Y204 HydrophobicContact CG-CE1 4.23Å; E55-Y204 PolarHBondContact OE1-OH 3.17Å; E55-Y204 VanDerWaalsContact OE2-CE1 3.31Å; E55-Y204 WeakPolarHBondContact OE2-CE1 3.5Å; E55-N205 PolarHBondContact OE2-ND2 2.93Å; E55-N225 PolarHBondContact O-N 2.95Å; E55-F230 HydrophobicContact CB-CE1 3.97Å; E55-F230 HydrophobicContact CB-CZ 4.17Å; E55-F230 HydrophobicContact CG-CD1 4.19Å; E55-F230 HydrophobicContact CG-CE1 3.52Å; E55-F230 HydrophobicContact CG-CZ 4.02Å
56	Y	95.9	Very high	95.3	Very high	2 Å²	2	39.7 Å²	39.7	1%	0.008	21%	0.213	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-137.8	145.6	179.6	-75.8	-97.1	0	0	0	110.6	H53 Y92 M166 I186 I207 F222 E223 P224	H53-Y56 WeakPolarHBondContact CB-O 3.46Å; H53-Y56 PolarHBondContact N-O 2.98Å; Y56-Y92 HydrophobicContact CD2-CD2 4.13Å; Y56-Y92 HydrophobicContact CD2-CE1 4.38Å; Y56-Y92 AromaticContact CD2-CE2 3.94Å; Y56-Y92 HydrophobicContact CD2-CE2 3.94Å; Y56-Y92 HydrophobicContact CD2-CG 4.42Å; Y56-Y92 HydrophobicContact CE2-CD1 4.36Å; Y56-Y92 AromaticContact CE2-CD2 3.39Å; Y56-Y92 HydrophobicContact CE2-CD2 3.39Å; Y56-Y92 AromaticContact CE2-CE2 3.6Å; Y56-Y92 HydrophobicContact CE2-CE2 3.6Å; Y56-Y92 AromaticContact CE2-CG 3.8Å; Y56-Y92 HydrophobicContact CE2-CG 3.8Å; Y56-Y92 PolarHBondContact OH-N 2.9Å; Y56-M166 HydrophobicContact CD1-CE 4.28Å; Y56-M166 HydrophobicContact CE1-CE 3.54Å; Y56-I186 HydrophobicContact CD2-CD1 4.47Å; Y56-I186 HydrophobicContact CG-CD1 4.44Å; Y56-I207 HydrophobicContact CD2-CD1 4.45Å; Y56-I207 HydrophobicContact CG-CD1 4.4Å; Y56-F222 HydrophobicContact CD1-CB 3.84Å; Y56-F222 HydrophobicContact CE1-CB 4.42Å; Y56-E223 CarbonylContact C-O 3.47Å; Y56-E223 VanDerWaalsContact CA-O 3.28Å; Y56-E223 WeakPolarHBondContact CA-O 3.34Å; Y56-E223 VanDerWaalsContact CD1-C 3.45Å; Y56-P224 HydrophobicContact CD1-CG 4.31Å; Y56-P224 HydrophobicContact CE1-CB 4.29Å; Y56-P224 HydrophobicContact CE1-CG 3.67Å
57	F	96.9	Very high	94.9	Very high	39 Å²	39	38.1 Å²	38.1	17%	0.171	20%	0.196	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-85.2	143.3	155.2	-62.3	-71.2	0	0	0	109.1	I42 Y50 S51 D52 F222 E223 N225	I42-F57 HydrophobicContact CD1-CE1 4.43Å; Y50-F57 HydrophobicContact CE2-CB 3.79Å; Y50-F57 HydrophobicContact CE2-CD1 4.4Å; Y50-F57 HydrophobicContact CE2-CG 4.26Å; Y50-F57 AromaticContact CZ-CD1 3.92Å; Y50-F57 WeakPolarHBondContact OH-CD1 3.34Å; Y50-F57 WeakPolarHBondContact OH-CG 3.5Å; S51-F57 CarbonylContact O-C 3.58Å; S51-F57 WeakPolarHBondContact O-CA 3.39Å; D52-F57 HydrophobicContact CB-CD1 3.89Å; D52-F57 HydrophobicContact CB-CE1 3.74Å; D52-F57 WeakPolarHBondContact OD2-CE1 3.21Å; F57-F222 WeakPolarHBondContact O-CA 3.28Å; F57-E223 PolarHBondContact N-O 2.88Å; F57-E223 PolarHBondContact O-N 2.93Å; F57-N225 HydrophobicContact CD2-CB 4.05Å; F57-N225 HydrophobicContact CE2-CB 3.8Å; F57-N225 WeakPolarHBondContact CE2-OD1 3.47Å; F57-N225 HydrophobicContact CZ-CB 4.26Å; F57-N225 VanDerWaalsContact CZ-CG 3.4Å; F57-N225 WeakPolarHBondContact CZ-ND2 3.44Å; F57-N225 WeakPolarHBondContact CZ-OD1 3.48Å
58	Q	98.4	Very high	94.1	Very high	0 Å²	0	37.1 Å²	37.1	0%	0	19%	0.189	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-111.3	124.1	170.7	-178.5	-174.6	64.7	0	0	109.1	Y50 S51 V60 I207 H208 V220 E221 F222	Y50-Q58 WeakPolarHBondContact CA-O 3.35Å; S51-Q58 PolarHBondContact N-O 2.78Å; S51-Q58 PolarHBondContact O-N 2.78Å; Q58-V60 HydrophobicContact CG-CG2 4.01Å; Q58-I207 HydrophobicContact CB-CG2 4.47Å; Q58-H208 PolarHBondContact NE2-O 3.04Å; Q58-V220 HydrophobicContact CG-CG1 4.24Å; Q58-E221 CarbonylContact C-O 3.51Å; Q58-E221 WeakPolarHBondContact CA-O 3.24Å; Q58-F222 HydrophobicContact CB-CD1 4.39Å; Q58-F222 HydrophobicContact CG-CD1 4.33Å; Q58-F222 HydrophobicContact CG-CE1 4.12Å
59	T	98.4	Very high	92.5	Very high	23 Å²	23	42.6 Å²	42.6	14%	0.141	22%	0.218	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-109.2	135.9	167.9	-54.3	0	0	0	0	108.3	Y48 R49 Y50 L61 V220 E221	Y48-T59 HydrophobicContact CE2-CG2 3.92Å; R49-T59 CarbonylContact O-C 3.56Å; R49-T59 WeakPolarHBondContact O-CA 3.17Å; Y50-T59 WeakPolarHBondContact CD2-OG1 3.33Å; T59-L61 HydrophobicContact CG2-CD1 4.19Å; T59-L61 HydrophobicContact CG2-CG 4.16Å; T59-V220 CarbonylContact O-C 3.53Å; T59-V220 WeakPolarHBondContact O-CA 3.17Å; T59-E221 PolarHBondContact N-O 2.7Å; T59-E221 PolarHBondContact O-N 3.44Å
60	V	98.2	Very high	91	Very high	0 Å²	0	46.9 Å²	46.9	0%	0	25%	0.251	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-127.9	129.3	172.6	-167.1	0	0	0	0	108.6	Y48 R49 Q58 F213 T218 L219 V220	Y48-V60 CarbonylContact C-O 3.54Å; Y48-V60 VanDerWaalsContact CA-O 3.27Å; Y48-V60 WeakPolarHBondContact CA-O 3.23Å; R49-V60 HydrophobicContact CB-CB 4.22Å; R49-V60 HydrophobicContact CB-CG2 4.39Å; R49-V60 PolarHBondContact N-O 2.95Å; R49-V60 PolarHBondContact O-N 2.8Å; Q58-V60 HydrophobicContact CG-CG2 4.01Å; V60-F213 HydrophobicContact CB-CD1 4.21Å; V60-F213 HydrophobicContact CB-CG 4.42Å; V60-F213 HydrophobicContact CG1-CB 3.6Å; V60-F213 HydrophobicContact CG1-CD1 3.66Å; V60-F213 HydrophobicContact CG1-CG 3.79Å; V60-T218 HydrophobicContact CG1-CG2 3.66Å; V60-L219 WeakPolarHBondContact CA-O 3.36Å; V60-V220 HydrophobicContact CG1-CG2 3.94Å; V60-V220 HydrophobicContact CG2-CG1 4.36Å; V60-V220 HydrophobicContact CG2-CG2 4.29Å
61	L	97.7	Very high	89.6	Confident	45 Å²	45	45.3 Å²	45.3	24%	0.236	25%	0.253	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-131.4	129.9	-177.7	-70.7	158.3	0	0	0	108.4	Y48 T59 Q64 T218 L219	Y48-L61 HydrophobicContact CD2-CD2 3.66Å; Y48-L61 HydrophobicContact CD2-CG 4.33Å; Y48-L61 HydrophobicContact CE2-CD2 4.24Å; T59-L61 HydrophobicContact CG2-CD1 4.19Å; T59-L61 HydrophobicContact CG2-CG 4.16Å; L61-Q64 HydrophobicContact CB-CG 3.45Å; L61-Q64 VanDerWaalsContact CB-CG 3.45Å; L61-T218 CarbonylContact O-C 3.58Å; L61-T218 WeakPolarHBondContact O-CA 3.34Å; L61-L219 PolarHBondContact N-O 3.18Å; L61-L219 PolarHBondContact O-N 2.99Å
62	V	95.6	Very high	88.9	Confident	8 Å²	8	51.8 Å²	51.8	5%	0.048	29%	0.288	C	S	.	.	S	Bend	trans	-102.6	158.6	176.7	-165	0	0	0	0	109.5	T47 Q64 F213 K215 D217	T47-V62 HydrophobicContact CG2-CB 4.4Å; T47-V62 PolarHBondContact O-N 2.86Å; V62-Q64 VanDerWaalsContact C-N 3.28Å; V62-Q64 PolarHBondContact O-N 2.78Å; V62-Q64 PolarHBondContact O-NE2 2.7Å; V62-F213 HydrophobicContact CG2-CD1 3.67Å; V62-F213 HydrophobicContact CG2-CE1 4.2Å; V62-K215 HydrophobicContact CG1-CD 3.83Å; V62-K215 HydrophobicContact CG1-CG 4.17Å; V62-D217 CarbonylContact C-O 3.49Å
63	E	93.4	Very high	88.7	Confident	150 Å²	150	53.5 Å²	53.5	70%	0.701	29%	0.293	S	S	*	.	S	Bend	trans	61.7	38.1	178.2	-52.4	179.4	-178.5	0	0	111.4	D217	E63-D217 PolarHBondContact N-O 2.83Å
64	Q	94.2	Very high	88.6	Confident	58 Å²	58	57.8 Å²	57.8	27%	0.271	32%	0.32	S	S	.	.	P	Polyproline II helix	trans	-94.9	142.7	178	-59.2	-53.1	-73.9	0	0	111.3	L61 V62 Y169 D217 L219	L61-Q64 HydrophobicContact CB-CG 3.45Å; L61-Q64 VanDerWaalsContact CB-CG 3.45Å; V62-Q64 VanDerWaalsContact C-N 3.28Å; V62-Q64 PolarHBondContact O-N 2.78Å; V62-Q64 PolarHBondContact O-NE2 2.7Å; Q64-Y169 WeakPolarHBondContact O-CE2 3.49Å; Q64-Y169 PolarHBondContact O-OH 3.25Å; Q64-D217 PolarHBondContact N-O 3.34Å; Q64-L219 HydrophobicContact CB-CB 4.04Å; Q64-L219 HydrophobicContact CG-CB 3.96Å
65	P	92.5	Very high	88.9	Confident	92 Å²	92	62.3 Å²	62.3	60%	0.597	34%	0.34	S	S	*	.	P	Polyproline II helix	trans	-65.2	158.1	168.7	30.6	-35.4	0	0	0	110.9
66	P	89.2	Confident	89.1	Confident	60 Å²	60	63.3 Å²	63.3	39%	0.39	35%	0.345	S	S	.	.	P	Polyproline II helix	trans	-56.2	133.6	174.6	-23.4	31.9	0	0	0	111.6	V68 Y169	P66-V68 PolarHBondContact O-N 2.97Å; P66-Y169 HydrophobicContact CB-CD1 4.43Å; P66-Y169 HydrophobicContact CB-CE1 3.8Å; P66-Y169 WeakPolarHBondContact CD-OH 3.35Å; P66-Y169 HydrophobicContact CG-CE1 3.85Å; P66-Y169 WeakPolarHBondContact CG-OH 3.45Å
67	P	85.6	Confident	89	Confident	50 Å²	50	70.7 Å²	70.7	33%	0.325	38%	0.38	S	S	.	.	S	Bend	trans	-69.6	-16.1	-176.7	27.5	-35.8	0	0	0	113.9	L159 Y169 L219	P67-L159 HydrophobicContact CB-CD1 4.43Å; P67-L159 HydrophobicContact CG-CD1 3.61Å; P67-Y169 HydrophobicContact CG-CG 4.37Å; P67-L219 HydrophobicContact CG-CD1 4.25Å
68	V	80.3	Confident	88.8	Confident	38 Å²	38	74.8 Å²	74.8	23%	0.23	40%	0.401	C	S	.	.			trans	-139.2	114	174.7	173.2	0	0	0	0	108	P66 F138 L159	P66-V68 PolarHBondContact O-N 2.97Å; V68-F138 HydrophobicContact CG2-CE2 4.29Å; V68-F138 HydrophobicContact CG2-CZ 4.1Å; V68-L159 HydrophobicContact CB-CD2 4.46Å; V68-L159 HydrophobicContact CG2-CD2 3.49Å; V68-L159 VanDerWaalsContact CG2-CD2 3.49Å
69	E	63.5	Low	88.6	Confident	188 Å²	188	78.3 Å²	78.3	88%	0.879	42%	0.424	S	S	*	.	S	Bend	trans	-75.8	-31.6	-174.7	-62.4	-172.2	157.4	0	0	113.4
70	S	65.7	Low	88.5	Confident	110 Å²	110	80.2 Å²	80.2	77%	0.769	44%	0.436	S	S	*	.			trans	-161.6	154.4	176	-152.4	0	0	0	0	111.4
71	G	69.5	Low	88.4	Confident	27 Å²	27	83.8 Å²	83.8	28%	0.278	45%	0.452	S	S	.	.			trans	-171.5	162.3	176.1	0	0	0	0	0	111.6	Y73	G71-Y73 VanDerWaalsContact O-CD2 3.26Å; G71-Y73 WeakPolarHBondContact O-CD2 3.34Å; G71-Y73 PolarHBondContact O-N 3.45Å
72	D	83.3	Confident	88.4	Confident	137 Å²	137	87.6 Å²	87.6	73%	0.733	47%	0.467	S	S	*	.			trans	-78.2	66.7	-176.8	-70.2	-34.4	0	0	0	111.9	V74	D72-V74 PolarHBondContact O-N 3.04Å
73	Y	89.6	Confident	88.4	Confident	49 Å²	49	87.7 Å²	87.7	19%	0.192	47%	0.468	C	S	.	.	P	Polyproline II helix	trans	-66.4	124	177.5	-71.4	-86	0	0	0	112	G71 E131 I132 N133 A140 K142	G71-Y73 VanDerWaalsContact O-CD2 3.26Å; G71-Y73 WeakPolarHBondContact O-CD2 3.34Å; G71-Y73 PolarHBondContact O-N 3.45Å; Y73-E131 HydrophobicContact CD1-CB 4Å; Y73-E131 HydrophobicContact CG-CB 4.25Å; Y73-I132 CarbonylContact C-O 3.6Å; Y73-I132 WeakPolarHBondContact CA-O 3.46Å; Y73-N133 HydrophobicContact CD1-CB 3.81Å; Y73-N133 HydrophobicContact CE1-CB 3.89Å; Y73-N133 HydrophobicContact CG-CB 4.26Å; Y73-A140 HydrophobicContact CE1-CB 3.88Å; Y73-K142 HydrophobicContact CE1-CB 4.35Å
74	V	92.9	Very high	88.6	Confident	95 Å²	95	85.2 Å²	85.2	58%	0.576	46%	0.463	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-85.1	131.8	169.6	-177.7	0	0	0	0	109.1	D72 I76 E131 I132	D72-V74 PolarHBondContact O-N 3.04Å; V74-I76 HydrophobicContact CG1-CD1 4.4Å; V74-E131 WeakPolarHBondContact O-CA 3.43Å; V74-I132 PolarHBondContact N-O 3.42Å; V74-I132 PolarHBondContact O-N 3.25Å
75	K	95	Very high	88.6	Confident	136 Å²	136	83.2 Å²	83.2	59%	0.591	46%	0.455	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-82.1	128.2	175.4	-71	172.2	-177.8	166.7	0	110.4	E131	K75-E131 HydrophobicContact CG-CG 4.01Å
76	I	96.1	Very high	88.7	Confident	22 Å²	22	84.5 Å²	84.5	11%	0.113	45%	0.451	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-104.4	119.9	174.9	-53.5	-54.2	0	0	0	108.2	V74 M78 E81 K129 F130 I132	V74-I76 HydrophobicContact CG1-CD1 4.4Å; I76-M78 HydrophobicContact CG2-CB 4.22Å; I76-E81 HydrophobicContact CD1-CG 4.16Å; I76-E81 HydrophobicContact CG1-CB 4.41Å; I76-E81 HydrophobicContact CG1-CG 4.39Å; I76-E81 HydrophobicContact CG2-CB 3.97Å; I76-K129 WeakPolarHBondContact O-CA 3.09Å; I76-K129 VanDerWaalsContact O-CB 3.24Å; I76-K129 WeakPolarHBondContact O-CB 3.37Å; I76-F130 HydrophobicContact CB-CD1 4.19Å; I76-F130 HydrophobicContact CB-CD2 4.39Å; I76-F130 HydrophobicContact CB-CE1 3.96Å; I76-F130 HydrophobicContact CB-CE2 4.2Å; I76-F130 HydrophobicContact CB-CG 4.4Å; I76-F130 HydrophobicContact CB-CZ 3.98Å; I76-F130 HydrophobicContact CG1-CD2 4.43Å; I76-F130 HydrophobicContact CG1-CE2 4.12Å; I76-F130 HydrophobicContact CG1-CZ 4.28Å; I76-F130 HydrophobicContact CG2-CD1 4.3Å; I76-F130 HydrophobicContact CG2-CE1 3.64Å; I76-F130 HydrophobicContact CG2-CE2 4.36Å; I76-F130 HydrophobicContact CG2-CZ 3.68Å; I76-F130 PolarHBondContact N-O 2.81Å; I76-F130 PolarHBondContact O-N 3.32Å; I76-F130 VanDerWaalsContact O-N 3.09Å; I76-I132 HydrophobicContact CD1-CD1 4.22Å; I76-I132 HydrophobicContact CG1-CD1 3.73Å; I76-I132 HydrophobicContact CG1-CG1 3.88Å
77	E	93	Very high	88.9	Confident	158 Å²	158	82.5 Å²	82.5	74%	0.738	44%	0.436	S	S	*	.			trans	-101.6	3.3	178.2	-58.7	-173.7	165.5	0	0	112.8
78	M	92.2	Very high	89.3	Confident	124 Å²	124	85.6 Å²	85.6	61%	0.611	46%	0.456	S	S	*	.	S	Bend	trans	-89.4	149.3	173.5	-69.1	-65.5	-69	0	0	110.9	I76 T80 F130	I76-M78 HydrophobicContact CG2-CB 4.22Å; M78-T80 PolarHBondContact O-N 2.96Å; M78-T80 VanDerWaalsContact O-N 3.1Å; M78-F130 WeakPolarHBondContact O-CE1 3.37Å
79	P	94.2	Very high	90	Very high	75 Å²	75	84.1 Å²	84.1	49%	0.487	45%	0.447	S	S	.	.	S	Bend	trans	-61	-21.7	178.2	-25	34.6	0	0	0	115.2	S102 N103	P79-S102 CarbonylContact O-C 3.5Å; P79-S102 WeakPolarHBondContact O-CA 3.42Å; P79-S102 PolarHBondContact O-OG 3.06Å; P79-N103 PolarHBondContact O-N 2.91Å; P79-N103 PolarHBondContact O-OD1 3.19Å
80	T	96.7	Very high	91.4	Very high	63 Å²	63	80.8 Å²	80.8	39%	0.387	43%	0.43	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-149.2	141	-179.6	-55.4	0	0	0	0	110.6	M78 S100 I101	M78-T80 PolarHBondContact O-N 2.96Å; M78-T80 VanDerWaalsContact O-N 3.1Å; T80-S100 VanDerWaalsContact CG2-OG 3.22Å; T80-S100 WeakPolarHBondContact CG2-OG 3.36Å; T80-I101 CarbonylContact C-O 3.55Å; T80-I101 WeakPolarHBondContact CA-O 3.49Å; T80-I101 WeakPolarHBondContact CG2-O 3.34Å
81	E	97	Very high	92.9	Very high	75 Å²	75	75.7 Å²	75.7	35%	0.35	39%	0.394	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-124.3	148.2	172.1	-176.9	57	-158.4	0	0	110.9	I76 V83 S100 I101 F130 I132	I76-E81 HydrophobicContact CD1-CG 4.16Å; I76-E81 HydrophobicContact CG1-CB 4.41Å; I76-E81 HydrophobicContact CG1-CG 4.39Å; I76-E81 HydrophobicContact CG2-CB 3.97Å; E81-V83 HydrophobicContact CG-CG2 4.4Å; E81-S100 WeakPolarHBondContact O-CA 3.21Å; E81-I101 PolarHBondContact N-O 2.8Å; E81-I101 PolarHBondContact O-N 3.07Å; E81-F130 HydrophobicContact CB-CE2 4.31Å; E81-F130 HydrophobicContact CB-CZ 3.82Å; E81-I132 HydrophobicContact CB-CD1 4.01Å; E81-I132 HydrophobicContact CG-CD1 3.72Å
82	K	97.3	Very high	94	Very high	124 Å²	124	74.4 Å²	74.4	54%	0.539	38%	0.381	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-111.9	110.7	-180	-78.5	166.1	161.8	-80.1	0	110.5	E98 L99	K82-E98 HydrophobicContact CB-CG 4.26Å; K82-E98 WeakPolarHBondContact CD-OE2 3.36Å; K82-E98 HydrophobicContact CG-CG 4.38Å; K82-E98 IonicContact NZ-OE1 3.93Å; K82-E98 PolarHBondContact NZ-OE1 2.55Å; K82-E98 IonicContact NZ-OE2 3.18Å; K82-E98 PolarHBondContact NZ-OE2 2.92Å; K82-L99 CarbonylContact C-O 3.58Å; K82-L99 WeakPolarHBondContact CA-O 3.47Å
83	V	96.1	Very high	94.3	Very high	10 Å²	10	69 Å²	69	6%	0.061	36%	0.356	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-105	126.7	178.7	177.1	0	0	0	0	110.2	E81 E98 L99 I101 I132 I139	E81-V83 HydrophobicContact CG-CG2 4.4Å; V83-E98 WeakPolarHBondContact O-CA 3.42Å; V83-L99 HydrophobicContact CB-CB 4.49Å; V83-L99 PolarHBondContact N-O 3.21Å; V83-L99 PolarHBondContact O-N 2.84Å; V83-I101 HydrophobicContact CB-CD1 4.14Å; V83-I101 HydrophobicContact CG2-CD1 3.65Å; V83-I132 HydrophobicContact CG2-CD1 3.97Å; V83-I132 HydrophobicContact CG2-CG2 4.49Å; V83-I139 HydrophobicContact CG1-CD1 3.97Å
84	T	96.4	Very high	94.4	Very high	98 Å²	98	69.3 Å²	69.3	60%	0.601	36%	0.36	S	S	*	.			trans	-94.2	115.5	167.1	-67.3	0	0	0	0	108.5	K86	T84-K86 PolarHBondContact O-N 2.83Å
85	P	94.9	Very high	94.5	Very high	16 Å²	16	71.7 Å²	71.7	10%	0.104	36%	0.363	C	S	.	.			trans	-57.7	130.9	-179.8	-25	34	0	0	0	112.5	F87 L89 V96 L99 I139	P85-F87 HydrophobicContact CB-CD2 4.37Å; P85-F87 HydrophobicContact CB-CE2 4.28Å; P85-F87 PolarHBondContact O-N 2.82Å; P85-L89 HydrophobicContact CB-CB 4.13Å; P85-L89 HydrophobicContact CB-CD2 4.39Å; P85-L89 HydrophobicContact CG-CB 4.28Å; P85-L89 HydrophobicContact CG-CD2 3.87Å; P85-V96 HydrophobicContact CG-CG1 4.22Å; P85-L99 HydrophobicContact CG-CD1 4.24Å; P85-L99 HydrophobicContact CG-CG 4.31Å; P85-I139 HydrophobicContact CB-CD1 4.04Å; P85-I139 HydrophobicContact CG-CD1 4.06Å
86	K	94.5	Very high	94.6	Very high	120 Å²	120	65.6 Å²	65.6	52%	0.522	34%	0.337	S	S	.	.	S	Bend	trans	-71.7	-12.1	177.8	-71.8	161.9	171.9	144.7	0	113.7	T84 D134 D136	T84-K86 PolarHBondContact O-N 2.83Å; K86-D134 VanDerWaalsContact CE-OD2 3.29Å; K86-D134 WeakPolarHBondContact CE-OD2 3.36Å; K86-D134 VanDerWaalsContact NZ-CG 3.28Å; K86-D134 PolarHBondContact NZ-O 2.63Å; K86-D134 IonicContact NZ-OD1 2.88Å; K86-D134 IonicContact NZ-OD2 2.73Å; K86-D134 PolarHBondContact NZ-OD2 3.49Å; K86-D136 WeakPolarHBondContact CB-OD1 3.32Å
87	F	93.8	Very high	94.7	Very high	17 Å²	17	69.3 Å²	69.3	8%	0.075	35%	0.352	C	S	.	.	S	Bend	trans	-120	160.4	-179.7	48.4	-102.2	0	0	0	111.7	P85 L89 D136 I139 P162	P85-F87 HydrophobicContact CB-CD2 4.37Å; P85-F87 HydrophobicContact CB-CE2 4.28Å; P85-F87 PolarHBondContact O-N 2.82Å; F87-L89 VanDerWaalsContact C-N 3.27Å; F87-L89 HydrophobicContact CD2-CB 3.97Å; F87-L89 HydrophobicContact CE2-CB 3.87Å; F87-L89 HydrophobicContact CE2-CD1 4.19Å; F87-L89 HydrophobicContact CE2-CD2 4.43Å; F87-L89 HydrophobicContact CE2-CG 4.37Å; F87-L89 PolarHBondContact O-N 2.85Å; F87-D136 WeakPolarHBondContact CD1-O 3.49Å; F87-I139 HydrophobicContact CE1-CD1 4.4Å; F87-I139 HydrophobicContact CE1-CG1 3.97Å; F87-I139 HydrophobicContact CZ-CD1 4Å; F87-I139 HydrophobicContact CZ-CG1 3.85Å; F87-P162 HydrophobicContact CB-CB 4.08Å; F87-P162 HydrophobicContact CB-CG 4.07Å; F87-P162 HydrophobicContact CD1-CG 3.93Å; F87-P162 VanDerWaalsContact CD2-CA 3.48Å; F87-P162 HydrophobicContact CD2-CB 3.86Å; F87-P162 HydrophobicContact CD2-CG 3.91Å; F87-P162 HydrophobicContact CE1-CG 4.29Å; F87-P162 HydrophobicContact CE2-CB 4.43Å; F87-P162 HydrophobicContact CE2-CG 4.25Å; F87-P162 HydrophobicContact CG-CB 3.97Å; F87-P162 HydrophobicContact CG-CG 3.7Å; F87-P162 HydrophobicContact CZ-CG 4.43Å
88	P	93	Very high	94.9	Very high	115 Å²	115	64 Å²	64	75%	0.747	33%	0.327	S	S	*	.			trans	-73.8	72.6	-178.2	31.3	-37.2	0	0	0	113.2
89	L	95.3	Very high	95.2	Very high	7 Å²	7	58.1 Å²	58.1	4%	0.037	30%	0.298	C	S	.	.			trans	-68.8	139.2	179.7	-179.7	60.4	0	0	0	112.9	P85 F87 V96 L99 I160	P85-L89 HydrophobicContact CB-CB 4.13Å; P85-L89 HydrophobicContact CB-CD2 4.39Å; P85-L89 HydrophobicContact CG-CB 4.28Å; P85-L89 HydrophobicContact CG-CD2 3.87Å; F87-L89 VanDerWaalsContact C-N 3.27Å; F87-L89 HydrophobicContact CD2-CB 3.97Å; F87-L89 HydrophobicContact CE2-CB 3.87Å; F87-L89 HydrophobicContact CE2-CD1 4.19Å; F87-L89 HydrophobicContact CE2-CD2 4.43Å; F87-L89 HydrophobicContact CE2-CG 4.37Å; F87-L89 PolarHBondContact O-N 2.85Å; L89-V96 HydrophobicContact CB-CB 4.17Å; L89-V96 HydrophobicContact CB-CG2 4.46Å; L89-V96 HydrophobicContact CD2-CB 3.97Å; L89-V96 HydrophobicContact CD2-CG1 4.06Å; L89-V96 HydrophobicContact CD2-CG2 3.95Å; L89-V96 HydrophobicContact CG-CB 3.99Å; L89-V96 HydrophobicContact CG-CG2 3.82Å; L89-V96 PolarHBondContact O-N 3.14Å; L89-L99 HydrophobicContact CD2-CD1 4.46Å; L89-I160 HydrophobicContact CD1-CG2 3.71Å; L89-I160 HydrophobicContact CD2-CG2 3.64Å; L89-I160 HydrophobicContact CG-CG2 4.35Å
90	K	94.4	Very high	95.4	Very high	119 Å²	119	55.3 Å²	55.3	52%	0.517	28%	0.28	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-121	144.1	166.3	-68.7	-179.2	176	-173.9	0	111.1	Q94	K90-Q94 CarbonylContact C-O 3.51Å; K90-Q94 WeakPolarHBondContact CA-O 3.33Å
91	Y	95.3	Very high	95.4	Very high	3 Å²	3	52.3 Å²	52.3	1%	0.012	26%	0.262	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-130.1	122.1	174	-179.1	-97.9	0	0	0	108.8	G93 Q94 I109 Q117 I118 M166 D187	Y91-G93 PolarHBondContact O-N 2.89Å; Y91-Q94 PolarHBondContact N-O 3.25Å; Y91-Q94 PolarHBondContact O-N 2.8Å; Y91-I109 HydrophobicContact CD1-CD1 3.84Å; Y91-I109 HydrophobicContact CD1-CG2 4.34Å; Y91-I109 HydrophobicContact CD2-CD1 3.41Å; Y91-I109 VanDerWaalsContact CD2-CD1 3.41Å; Y91-I109 HydrophobicContact CE1-CD1 3.84Å; Y91-I109 HydrophobicContact CE2-CD1 3.38Å; Y91-I109 HydrophobicContact CG-CD1 3.62Å; Y91-I109 HydrophobicContact CG-CG2 4.27Å; Y91-Q117 PolarHBondContact OH-O 2.87Å; Y91-I118 HydrophobicContact CE2-CG1 4.42Å; Y91-M166 HydrophobicContact CD2-CE 4Å; Y91-M166 HydrophobicContact CD2-SD 3.82Å; Y91-M166 HydrophobicContact CE2-CE 3.78Å; Y91-M166 HydrophobicContact CE2-SD 3.79Å; Y91-D187 WeakPolarHBondContact CE1-O 3.42Å; Y91-D187 VanDerWaalsContact OH-C 3.3Å; Y91-D187 PolarHBondContact OH-N 3.36Å; Y91-D187 PolarHBondContact OH-O 3.1Å
92	Y	93.5	Very high	95.4	Very high	0 Å²	0	49.7 Å²	49.7	0%	0	25%	0.252	C	S	.	.	T	Hydrogen-bonded Turn	trans	48	41.7	-169.9	-73.3	-114.7	0	0	0	112.2	E55 Y56 Q94 I186 Y188 Y204 T263	E55-Y92 HydrophobicContact CB-CD1 3.65Å; E55-Y92 HydrophobicContact CB-CE1 3.89Å; E55-Y92 HydrophobicContact CB-CG 4.38Å; E55-Y92 HydrophobicContact CG-CD1 3.66Å; E55-Y92 HydrophobicContact CG-CE1 4.14Å; Y56-Y92 HydrophobicContact CD2-CD2 4.13Å; Y56-Y92 HydrophobicContact CD2-CE1 4.38Å; Y56-Y92 AromaticContact CD2-CE2 3.94Å; Y56-Y92 HydrophobicContact CD2-CE2 3.94Å; Y56-Y92 HydrophobicContact CD2-CG 4.42Å; Y56-Y92 HydrophobicContact CE2-CD1 4.36Å; Y56-Y92 AromaticContact CE2-CD2 3.39Å; Y56-Y92 HydrophobicContact CE2-CD2 3.39Å; Y56-Y92 AromaticContact CE2-CE2 3.6Å; Y56-Y92 HydrophobicContact CE2-CE2 3.6Å; Y56-Y92 AromaticContact CE2-CG 3.8Å; Y56-Y92 HydrophobicContact CE2-CG 3.8Å; Y56-Y92 PolarHBondContact OH-N 2.9Å; Y92-Q94 PolarHBondContact O-N 2.83Å; Y92-Q94 VanDerWaalsContact O-N 3.1Å; Y92-I186 HydrophobicContact CE2-CD1 4.27Å; Y92-Y188 HydrophobicContact CD1-CG 4.32Å; Y92-Y188 HydrophobicContact CG-CD2 4.11Å; Y92-Y188 HydrophobicContact CG-CG 4.26Å; Y92-Y204 HydrophobicContact CD1-CD1 4.45Å; Y92-Y204 HydrophobicContact CE1-CD1 4.45Å; Y92-T263 HydrophobicContact CD1-CG2 4.45Å; Y92-T263 WeakPolarHBondContact O-CG2 3.37Å; Y92-T263 PolarHBondContact O-OG1 3.21Å
93	G	90.4	Very high	95.3	Very high	22 Å²	22	45.1 Å²	45.1	23%	0.227	23%	0.233	C	C	.	.	T	Hydrogen-bonded Turn	trans	76.4	-20.7	-176.3	0	0	0	0	0	116.3	Y91	Y91-G93 PolarHBondContact O-N 2.89Å
94	Q	91.6	Very high	95.2	Very high	57 Å²	57	47.3 Å²	47.3	27%	0.266	25%	0.249	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-78.5	141.8	-178.8	-57.7	-50.6	-55.4	0	0	111.4	K90 Y91 Y92 V96 I115 Y188	K90-Q94 CarbonylContact C-O 3.51Å; K90-Q94 WeakPolarHBondContact CA-O 3.33Å; Y91-Q94 PolarHBondContact N-O 3.25Å; Y91-Q94 PolarHBondContact O-N 2.8Å; Y92-Q94 PolarHBondContact O-N 2.83Å; Y92-Q94 VanDerWaalsContact O-N 3.1Å; Q94-V96 PolarHBondContact O-N 3.22Å; Q94-I115 HydrophobicContact CB-CD1 3.94Å; Q94-Y188 HydrophobicContact CB-CE2 4.37Å; Q94-Y188 HydrophobicContact CG-CE2 3.61Å
95	K	94.9	Very high	95.1	Very high	145 Å²	145	42.6 Å²	42.6	63%	0.63	22%	0.22	S	C	*	.	E	Extended strand (participates in β ladder)	trans	-68	126.9	177.8	-179.9	176.7	179.1	177.7	0	110.6	G111	K95-G111 VanDerWaalsContact O-CA 3.26Å; K95-G111 WeakPolarHBondContact O-CA 3.32Å
96	V	97.2	Very high	95.2	Very high	8 Å²	8	43 Å²	43	5%	0.048	22%	0.222	C	C	.	.	P	Polyproline II helix	trans	-84.8	144	171.8	-175.6	0	0	0	0	109.8	P85 L89 Q94 L99 I109 I115	P85-V96 HydrophobicContact CG-CG1 4.22Å; L89-V96 HydrophobicContact CB-CB 4.17Å; L89-V96 HydrophobicContact CB-CG2 4.46Å; L89-V96 HydrophobicContact CD2-CB 3.97Å; L89-V96 HydrophobicContact CD2-CG1 4.06Å; L89-V96 HydrophobicContact CD2-CG2 3.95Å; L89-V96 HydrophobicContact CG-CB 3.99Å; L89-V96 HydrophobicContact CG-CG2 3.82Å; L89-V96 PolarHBondContact O-N 3.14Å; Q94-V96 PolarHBondContact O-N 3.22Å; V96-L99 HydrophobicContact CG1-CD2 3.9Å; V96-L99 HydrophobicContact CG1-CG 4.32Å; V96-I109 HydrophobicContact CB-CG2 4.38Å; V96-I109 HydrophobicContact CG1-CG2 3.83Å; V96-I109 HydrophobicContact CG2-CG2 3.68Å; V96-I115 HydrophobicContact CG2-CD1 4.38Å
97	K	97.5	Very high	95.3	Very high	100 Å²	100	37.3 Å²	37.3	44%	0.435	20%	0.197	S	C	.	.			trans	-121	-34.8	171.9	-60.7	-169.5	-162.8	167.2	0	112.8	Y110 G111 D112	K97-Y110 PolarHBondContact N-O 3.1Å; K97-G111 WeakPolarHBondContact CD-O 3.45Å; K97-G111 WeakPolarHBondContact CE-O 3.15Å; K97-D112 VanDerWaalsContact CE-OD1 3.27Å; K97-D112 WeakPolarHBondContact CE-OD1 3.5Å; K97-D112 IonicContact NZ-OD1 3.65Å; K97-D112 PolarHBondContact NZ-OD1 2.84Å
98	E	98.1	Very high	95.5	Very high	46 Å²	46	39.7 Å²	39.7	22%	0.215	21%	0.209	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-145.3	139.5	-177.8	-166.9	-168.6	77.4	0	0	110.1	K82 V83 Y110	K82-E98 HydrophobicContact CB-CG 4.26Å; K82-E98 WeakPolarHBondContact CD-OE2 3.36Å; K82-E98 HydrophobicContact CG-CG 4.38Å; K82-E98 IonicContact NZ-OE1 3.93Å; K82-E98 PolarHBondContact NZ-OE1 2.55Å; K82-E98 IonicContact NZ-OE2 3.18Å; K82-E98 PolarHBondContact NZ-OE2 2.92Å; V83-E98 WeakPolarHBondContact O-CA 3.42Å; E98-Y110 PolarHBondContact N-O 3.23Å; E98-Y110 PolarHBondContact O-N 3.18Å
99	L	98	Very high	95.8	Very high	1 Å²	1	34.3 Å²	34.3	1%	0.005	17%	0.174	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-109.8	120.8	167	-59.7	174.7	0	0	0	107.5	K82 V83 P85 L89 V96 I101 I107 I109 I139 I160	K82-L99 CarbonylContact C-O 3.58Å; K82-L99 WeakPolarHBondContact CA-O 3.47Å; V83-L99 HydrophobicContact CB-CB 4.49Å; V83-L99 PolarHBondContact N-O 3.21Å; V83-L99 PolarHBondContact O-N 2.84Å; P85-L99 HydrophobicContact CG-CD1 4.24Å; P85-L99 HydrophobicContact CG-CG 4.31Å; L89-L99 HydrophobicContact CD2-CD1 4.46Å; V96-L99 HydrophobicContact CG1-CD2 3.9Å; V96-L99 HydrophobicContact CG1-CG 4.32Å; L99-I101 HydrophobicContact CB-CG1 4.32Å; L99-I107 HydrophobicContact CB-CG2 4.14Å; L99-I107 HydrophobicContact CD2-CG2 4.17Å; L99-I109 HydrophobicContact CD2-CB 4.33Å; L99-I109 HydrophobicContact CD2-CG1 3.89Å; L99-I109 HydrophobicContact CD2-CG2 4.03Å; L99-I139 HydrophobicContact CD1-CD1 3.7Å; L99-I160 HydrophobicContact CD1-CD1 3.66Å
100	S	98	Very high	95.9	Very high	15 Å²	15	37.3 Å²	37.3	11%	0.105	19%	0.185	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-101.4	104	173.1	179.1	0	0	0	0	108.2	T80 E81 Q108	T80-S100 VanDerWaalsContact CG2-OG 3.22Å; T80-S100 WeakPolarHBondContact CG2-OG 3.36Å; E81-S100 WeakPolarHBondContact O-CA 3.21Å; S100-Q108 PolarHBondContact N-O 3.47Å; S100-Q108 PolarHBondContact O-N 3.33Å
101	I	97.6	Very high	96	Very high	0 Å²	0	32 Å²	32	0%	0	17%	0.165	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-100.3	121.1	-170.4	-57.3	158.9	0	0	0	108.1	T80 E81 V83 L99 I107 F130 I132 I141 W143	T80-I101 CarbonylContact C-O 3.55Å; T80-I101 WeakPolarHBondContact CA-O 3.49Å; T80-I101 WeakPolarHBondContact CG2-O 3.34Å; E81-I101 PolarHBondContact N-O 2.8Å; E81-I101 PolarHBondContact O-N 3.07Å; V83-I101 HydrophobicContact CB-CD1 4.14Å; V83-I101 HydrophobicContact CG2-CD1 3.65Å; L99-I101 HydrophobicContact CB-CG1 4.32Å; I101-I107 HydrophobicContact CG1-CG1 4.46Å; I101-I107 HydrophobicContact CG1-CG2 4.08Å; I101-F130 HydrophobicContact CB-CE2 3.99Å; I101-F130 HydrophobicContact CB-CZ 4.3Å; I101-F130 HydrophobicContact CG2-CD2 3.98Å; I101-F130 HydrophobicContact CG2-CE2 3.35Å; I101-F130 HydrophobicContact CG2-CZ 3.96Å; I101-F130 WeakPolarHBondContact O-CZ 3.5Å; I101-I132 HydrophobicContact CD1-CD1 3.96Å; I101-I141 HydrophobicContact CD1-CD1 4.49Å; I101-I141 HydrophobicContact CD1-CG1 3.86Å; I101-I141 HydrophobicContact CG1-CG1 4.46Å; I101-I141 HydrophobicContact CG2-CG1 4.3Å; I101-I141 HydrophobicContact CG2-CG2 3.75Å; I101-W143 HydrophobicContact CG2-CH2 4.35Å; I101-W143 HydrophobicContact CG2-CZ2 3.7Å
102	S	96.5	Very high	95.8	Very high	21 Å²	21	38.8 Å²	38.8	15%	0.147	20%	0.201	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-100.3	147.7	178.4	178.6	0	0	0	0	111.9	P79 S104 G105 V106 W143	P79-S102 CarbonylContact O-C 3.5Å; P79-S102 WeakPolarHBondContact O-CA 3.42Å; P79-S102 PolarHBondContact O-OG 3.06Å; S102-S104 WeakPolarHBondContact CB-OG 3.28Å; S102-S104 PolarHBondContact O-N 3Å; S102-S104 VanDerWaalsContact O-N 3.14Å; S102-S104 PolarHBondContact OG-N 2.85Å; S102-S104 PolarHBondContact OG-OG 2.9Å; S102-G105 PolarHBondContact O-N 2.85Å; S102-V106 PolarHBondContact N-O 2.94Å; S102-W143 PolarHBondContact O-NE1 2.91Å
103	N	94.9	Very high	95.7	Very high	28 Å²	28	42 Å²	42	15%	0.15	22%	0.218	C	C	.	.	T	Hydrogen-bonded Turn	trans	-57.4	-22.4	169.1	69.2	-4.7	0	0	0	113.3	P79 G105 F126 D128 F130	P79-N103 PolarHBondContact O-N 2.91Å; P79-N103 PolarHBondContact O-OD1 3.19Å; N103-G105 PolarHBondContact O-N 3.28Å; N103-G105 VanDerWaalsContact O-N 3.1Å; N103-F126 VanDerWaalsContact O-CB 3.28Å; N103-F126 WeakPolarHBondContact O-CB 3.48Å; N103-D128 WeakPolarHBondContact CB-O 3.36Å; N103-D128 WeakPolarHBondContact ND2-CA 3.49Å; N103-D128 PolarHBondContact ND2-O 3.27Å; N103-F130 HydrophobicContact CB-CD1 3.73Å; N103-F130 HydrophobicContact CB-CE1 4.09Å
104	S	93.5	Very high	96	Very high	55 Å²	55	42.2 Å²	42.2	39%	0.385	21%	0.213	S	C	.	.	T	Hydrogen-bonded Turn	trans	-72.6	9.4	176.6	64.2	0	0	0	0	115.5	S102	S102-S104 WeakPolarHBondContact CB-OG 3.28Å; S102-S104 PolarHBondContact O-N 3Å; S102-S104 VanDerWaalsContact O-N 3.14Å; S102-S104 PolarHBondContact OG-N 2.85Å; S102-S104 PolarHBondContact OG-OG 2.9Å
105	G	94.6	Very high	96.2	Very high	0 Å²	0	40 Å²	40	0%	0	20%	0.203	C	C	.	.	T	Hydrogen-bonded Turn	trans	69.3	37.2	-177.8	0	0	0	0	0	113	S102 N103 I120	S102-G105 PolarHBondContact O-N 2.85Å; N103-G105 PolarHBondContact O-N 3.28Å; N103-G105 VanDerWaalsContact O-N 3.1Å; G105-I120 WeakPolarHBondContact O-CG1 3.35Å; G105-I120 PolarHBondContact O-N 3.22Å
106	V	96.3	Very high	96.2	Very high	24 Å²	24	33.1 Å²	33.1	15%	0.145	17%	0.173	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-125.9	132.4	176.5	174.4	0	0	0	0	109.4	S102 Q108 Q117 I118	S102-V106 PolarHBondContact N-O 2.94Å; V106-Q108 HydrophobicContact CG1-CG 4.3Å; V106-Q117 HydrophobicContact CG1-CG 3.88Å; V106-I118 WeakPolarHBondContact CA-O 3.44Å
107	I	97.8	Very high	96.2	Very high	0 Å²	0	34.4 Å²	34.4	0%	0	18%	0.178	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-113.6	120.9	168.8	-46.9	171.5	0	0	0	107.8	L99 I101 I109 Q117 I118 I141 W143 Y158 I160	L99-I107 HydrophobicContact CB-CG2 4.14Å; L99-I107 HydrophobicContact CD2-CG2 4.17Å; I101-I107 HydrophobicContact CG1-CG1 4.46Å; I101-I107 HydrophobicContact CG1-CG2 4.08Å; I107-I109 HydrophobicContact CG2-CG1 4.43Å; I107-Q117 WeakPolarHBondContact O-CA 3.32Å; I107-I118 HydrophobicContact CB-CB 4.15Å; I107-I118 HydrophobicContact CB-CD1 4.27Å; I107-I118 HydrophobicContact CD1-CD1 4.01Å; I107-I118 HydrophobicContact CD1-CG2 4.5Å; I107-I118 PolarHBondContact N-O 2.9Å; I107-I118 PolarHBondContact O-N 2.91Å; I107-I141 HydrophobicContact CD1-CD1 4.13Å; I107-W143 HydrophobicContact CD1-CH2 4.07Å; I107-W143 HydrophobicContact CG1-CH2 3.96Å; I107-W143 HydrophobicContact CG1-CZ2 4.35Å; I107-Y158 HydrophobicContact CD1-CD1 3.93Å; I107-Y158 HydrophobicContact CD1-CE1 4.35Å; I107-Y158 HydrophobicContact CD1-CG 4.35Å; I107-I160 HydrophobicContact CD1-CD1 4.31Å
108	Q	98.1	Very high	96.2	Very high	68 Å²	68	29.7 Å²	29.7	32%	0.318	16%	0.158	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-95.9	133.6	169.9	-71.2	179.1	-19.9	0	0	109.6	S100 V106 Y110 F114	S100-Q108 PolarHBondContact N-O 3.47Å; S100-Q108 PolarHBondContact O-N 3.33Å; V106-Q108 HydrophobicContact CG1-CG 4.3Å; Q108-Y110 HydrophobicContact CB-CE2 3.71Å; Q108-Y110 PolarHBondContact OE1-OH 3.09Å; Q108-F114 HydrophobicContact CB-CD2 4.4Å; Q108-F114 HydrophobicContact CB-CE2 3.79Å; Q108-F114 HydrophobicContact CG-CE2 3.9Å; Q108-F114 HydrophobicContact CG-CZ 4.44Å
109	I	98.2	Very high	96.1	Very high	2 Å²	2	27.7 Å²	27.7	1%	0.01	15%	0.149	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-113.8	127.7	-171.4	-51.7	-179.9	0	0	0	109.5	Y91 V96 L99 I107 I115 G116 I118	Y91-I109 HydrophobicContact CD1-CD1 3.84Å; Y91-I109 HydrophobicContact CD1-CG2 4.34Å; Y91-I109 HydrophobicContact CD2-CD1 3.41Å; Y91-I109 VanDerWaalsContact CD2-CD1 3.41Å; Y91-I109 HydrophobicContact CE1-CD1 3.84Å; Y91-I109 HydrophobicContact CE2-CD1 3.38Å; Y91-I109 HydrophobicContact CG-CD1 3.62Å; Y91-I109 HydrophobicContact CG-CG2 4.27Å; V96-I109 HydrophobicContact CB-CG2 4.38Å; V96-I109 HydrophobicContact CG1-CG2 3.83Å; V96-I109 HydrophobicContact CG2-CG2 3.68Å; L99-I109 HydrophobicContact CD2-CB 4.33Å; L99-I109 HydrophobicContact CD2-CG1 3.89Å; L99-I109 HydrophobicContact CD2-CG2 4.03Å; I107-I109 HydrophobicContact CG2-CG1 4.43Å; I109-I115 HydrophobicContact CB-CG1 4.3Å; I109-I115 HydrophobicContact CG2-CD1 3.94Å; I109-I115 HydrophobicContact CG2-CG1 3.9Å; I109-I115 VanDerWaalsContact O-CG1 3.28Å; I109-I115 WeakPolarHBondContact O-CG1 3.5Å; I109-I115 PolarHBondContact O-N 3.25Å; I109-G116 PolarHBondContact N-O 2.71Å; I109-G116 PolarHBondContact O-N 3.07Å; I109-I118 HydrophobicContact CD1-CD1 3.8Å; I109-I118 HydrophobicContact CD1-CG1 4.15Å
110	Y	98.1	Very high	95.9	Very high	69 Å²	69	27.6 Å²	27.6	27%	0.271	15%	0.149	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-121.1	133	-177	-64.8	-92.5	0	0	0	111.8	K97 E98 Q108 D113 F114	K97-Y110 PolarHBondContact N-O 3.1Å; E98-Y110 PolarHBondContact N-O 3.23Å; E98-Y110 PolarHBondContact O-N 3.18Å; Q108-Y110 HydrophobicContact CB-CE2 3.71Å; Q108-Y110 PolarHBondContact OE1-OH 3.09Å; Y110-D113 WeakPolarHBondContact CA-O 3.4Å; Y110-F114 HydrophobicContact CD1-CB 3.93Å; Y110-F114 HydrophobicContact CD1-CD2 4.33Å; Y110-F114 HydrophobicContact CE1-CB 3.65Å; Y110-F114 AromaticContact CE1-CD2 3.89Å; Y110-F114 HydrophobicContact CE1-CD2 3.89Å; Y110-F114 HydrophobicContact CE1-CG 4.18Å; Y110-F114 HydrophobicContact CE2-CD2 4.31Å; Y110-F114 AromaticContact CZ-CD2 3.87Å
111	G	95.8	Very high	95.4	Very high	9 Å²	9	27.1 Å²	27.1	9%	0.093	15%	0.145	C	C	.	.	S	Bend	trans	-107.6	-111.6	169.3	0	0	0	0	0	110	K95 K97 D113	K95-G111 VanDerWaalsContact O-CA 3.26Å; K95-G111 WeakPolarHBondContact O-CA 3.32Å; K97-G111 WeakPolarHBondContact CD-O 3.45Å; K97-G111 WeakPolarHBondContact CE-O 3.15Å; G111-D113 PolarHBondContact N-O 3.34Å
112	D	92	Very high	94.5	Very high	145 Å²	145	31.4 Å²	31.4	78%	0.775	17%	0.165	S	C	*	.	S	Bend	trans	-80.4	-27.4	163.7	-70.1	-41.2	0	0	0	112.8	K97	K97-D112 VanDerWaalsContact CE-OD1 3.27Å; K97-D112 WeakPolarHBondContact CE-OD1 3.5Å; K97-D112 IonicContact NZ-OD1 3.65Å; K97-D112 PolarHBondContact NZ-OD1 2.84Å
113	D	91.9	Very high	93.7	Very high	67 Å²	67	35 Å²	35	36%	0.358	18%	0.178	S	C	.	.	S	Bend	trans	-129	179.3	174.2	-95.5	-56.2	0	0	0	107.7	Y110 G111 I115 K191	Y110-D113 WeakPolarHBondContact CA-O 3.4Å; G111-D113 PolarHBondContact N-O 3.34Å; D113-I115 PolarHBondContact O-N 2.96Å; D113-K191 IonicContact OD1-NZ 2.62Å; D113-K191 PolarHBondContact OD1-NZ 3.21Å; D113-K191 IonicContact OD2-NZ 2.61Å; D113-K191 PolarHBondContact OD2-NZ 3.01Å
114	F	95.6	Very high	93.2	Very high	27 Å²	27	34.3 Å²	34.3	12%	0.118	18%	0.175	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-63.2	124.5	161.7	177	-122.6	0	0	0	109.6	Q108 Y110 G116 Q117 R189 F201	Q108-F114 HydrophobicContact CB-CD2 4.4Å; Q108-F114 HydrophobicContact CB-CE2 3.79Å; Q108-F114 HydrophobicContact CG-CE2 3.9Å; Q108-F114 HydrophobicContact CG-CZ 4.44Å; Y110-F114 HydrophobicContact CD1-CB 3.93Å; Y110-F114 HydrophobicContact CD1-CD2 4.33Å; Y110-F114 HydrophobicContact CE1-CB 3.65Å; Y110-F114 AromaticContact CE1-CD2 3.89Å; Y110-F114 HydrophobicContact CE1-CD2 3.89Å; Y110-F114 HydrophobicContact CE1-CG 4.18Å; Y110-F114 HydrophobicContact CE2-CD2 4.31Å; Y110-F114 AromaticContact CZ-CD2 3.87Å; F114-G116 WeakPolarHBondContact CE2-O 3.33Å; F114-Q117 HydrophobicContact CZ-CB 4.18Å; F114-R189 HydrophobicContact CD1-CB 4.12Å; F114-R189 HydrophobicContact CD1-CG 4.41Å; F114-R189 HydrophobicContact CE1-CB 3.86Å; F114-R189 HydrophobicContact CE1-CG 3.66Å; F114-R189 HydrophobicContact CZ-CG 3.98Å; F114-F201 HydrophobicContact CB-CE1 3.99Å; F114-F201 HydrophobicContact CB-CZ 4.07Å; F114-F201 HydrophobicContact CD1-CB 4.2Å; F114-F201 AromaticContact CD1-CD1 3.59Å; F114-F201 HydrophobicContact CD1-CD1 3.59Å; F114-F201 HydrophobicContact CD1-CD2 4.03Å; F114-F201 AromaticContact CD1-CE1 3.82Å; F114-F201 HydrophobicContact CD1-CE1 3.82Å; F114-F201 HydrophobicContact CD1-CE2 4.26Å; F114-F201 AromaticContact CD1-CG 3.68Å; F114-F201 HydrophobicContact CD1-CG 3.68Å; F114-F201 HydrophobicContact CD1-CZ 4.15Å; F114-F201 HydrophobicContact CE1-CB 4.1Å; F114-F201 HydrophobicContact CE1-CD1 4.31Å; F114-F201 HydrophobicContact CE1-CG 4.08Å; F114-F201 HydrophobicContact CG-CE1 4.42Å
115	I	95	Very high	93	Very high	11 Å²	11	34.9 Å²	34.9	6%	0.056	18%	0.175	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-120.2	-15.5	-172.8	57.1	167.1	0	0	0	114.4	Q94 V96 I109 D113 Y188 R189	Q94-I115 HydrophobicContact CB-CD1 3.94Å; V96-I115 HydrophobicContact CG2-CD1 4.38Å; I109-I115 HydrophobicContact CB-CG1 4.3Å; I109-I115 HydrophobicContact CG2-CD1 3.94Å; I109-I115 HydrophobicContact CG2-CG1 3.9Å; I109-I115 VanDerWaalsContact O-CG1 3.28Å; I109-I115 WeakPolarHBondContact O-CG1 3.5Å; I109-I115 PolarHBondContact O-N 3.25Å; D113-I115 PolarHBondContact O-N 2.96Å; I115-Y188 HydrophobicContact CB-CD2 4.45Å; I115-Y188 HydrophobicContact CB-CE2 3.83Å; I115-Y188 HydrophobicContact CG2-CE2 4.33Å; I115-Y188 CarbonylContact O-C 3.52Å; I115-Y188 WeakPolarHBondContact O-CA 3.48Å; I115-Y188 WeakPolarHBondContact O-CD2 3.38Å; I115-Y188 VanDerWaalsContact O-CE2 3.3Å; I115-Y188 WeakPolarHBondContact O-CE2 3.4Å; I115-R189 PolarHBondContact O-N 2.86Å
116	G	96.5	Very high	92.9	Very high	0 Å²	0	35.4 Å²	35.4	0%	0	18%	0.178	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-174.2	163.2	-174.8	0	0	0	0	0	114.7	I109 F114 D187	I109-G116 PolarHBondContact N-O 2.71Å; I109-G116 PolarHBondContact O-N 3.07Å; F114-G116 WeakPolarHBondContact CE2-O 3.33Å; G116-D187 VanDerWaalsContact CA-O 3.27Å; G116-D187 WeakPolarHBondContact CA-O 3.14Å
117	Q	96.9	Very high	92.7	Very high	34 Å²	34	35.6 Å²	35.6	16%	0.159	18%	0.177	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-138.7	140.8	174.3	-176.5	175.3	-27.5	0	0	111.1	Y91 V106 I107 F114 W185 D187	Y91-Q117 PolarHBondContact OH-O 2.87Å; V106-Q117 HydrophobicContact CG1-CG 3.88Å; I107-Q117 WeakPolarHBondContact O-CA 3.32Å; F114-Q117 HydrophobicContact CZ-CB 4.18Å; Q117-W185 HydrophobicContact CB-CH2 4.09Å; Q117-W185 HydrophobicContact CB-CZ3 3.9Å; Q117-W185 HydrophobicContact CG-CH2 3.77Å; Q117-W185 HydrophobicContact CG-CZ3 3.94Å; Q117-W185 WeakPolarHBondContact O-CZ3 3.46Å; Q117-D187 PolarHBondContact N-O 2.94Å; Q117-D187 PolarHBondContact O-N 3.45Å
118	I	97.1	Very high	92.5	Very high	1 Å²	1	41.6 Å²	41.6	1%	0.005	21%	0.209	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-109.1	133.2	165.8	-61.6	157.5	0	0	0	106.5	Y91 V106 I107 I109 I120 Y158 M166 I186	Y91-I118 HydrophobicContact CE2-CG1 4.42Å; V106-I118 WeakPolarHBondContact CA-O 3.44Å; I107-I118 HydrophobicContact CB-CB 4.15Å; I107-I118 HydrophobicContact CB-CD1 4.27Å; I107-I118 HydrophobicContact CD1-CD1 4.01Å; I107-I118 HydrophobicContact CD1-CG2 4.5Å; I107-I118 PolarHBondContact N-O 2.9Å; I107-I118 PolarHBondContact O-N 2.91Å; I109-I118 HydrophobicContact CD1-CD1 3.8Å; I109-I118 HydrophobicContact CD1-CG1 4.15Å; I118-I120 HydrophobicContact CG2-CD1 3.86Å; I118-Y158 HydrophobicContact CD1-CE1 3.68Å; I118-Y158 WeakPolarHBondContact CD1-OH 3.45Å; I118-Y158 HydrophobicContact CG2-CD2 4.22Å; I118-Y158 HydrophobicContact CG2-CE1 4.37Å; I118-Y158 HydrophobicContact CG2-CE2 3.58Å; I118-M166 HydrophobicContact CD1-SD 4Å; I118-I186 HydrophobicContact CB-CG2 4.35Å; I118-I186 HydrophobicContact CG1-CB 4.4Å; I118-I186 HydrophobicContact CG1-CG2 3.83Å; I118-I186 HydrophobicContact CG2-CG2 4.15Å
119	S	95.4	Very high	92.3	Very high	4 Å²	4	42 Å²	42	3%	0.028	21%	0.21	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-123.6	120.1	172.5	-175.2	0	0	0	0	108.5	S184 W185	S119-S184 CarbonylContact O-C 3.59Å; S119-S184 VanDerWaalsContact O-CA 3.32Å; S119-S184 WeakPolarHBondContact O-CA 3.28Å; S119-W185 VanDerWaalsContact CB-CE2 3.41Å; S119-W185 PolarHBondContact N-O 2.81Å; S119-W185 PolarHBondContact O-N 3.34Å
120	I	93.2	Very high	92.2	Very high	0 Å²	0	42 Å²	42	0%	0	21%	0.21	C	C	.	.	S	Bend	trans	-77.8	-48.8	177.8	-49	-53	0	0	0	109.6	G105 I118 F126 W143 V156 Y158 L168 S184	G105-I120 WeakPolarHBondContact O-CG1 3.35Å; G105-I120 PolarHBondContact O-N 3.22Å; I118-I120 HydrophobicContact CG2-CD1 3.86Å; I120-F126 HydrophobicContact CB-CZ 4.37Å; I120-F126 HydrophobicContact CG2-CZ 4.31Å; I120-W143 HydrophobicContact CD1-CZ3 4.39Å; I120-W143 HydrophobicContact CG1-CE3 4.4Å; I120-W143 HydrophobicContact CG1-CH2 4.19Å; I120-W143 HydrophobicContact CG1-CZ3 3.99Å; I120-V156 HydrophobicContact CG2-CB 4.18Å; I120-V156 HydrophobicContact CG2-CG1 4.33Å; I120-V156 HydrophobicContact CG2-CG2 3.83Å; I120-Y158 HydrophobicContact CD1-CD2 3.35Å; I120-Y158 HydrophobicContact CD1-CE2 3.91Å; I120-Y158 HydrophobicContact CD1-CG 4.11Å; I120-L168 HydrophobicContact CD1-CD1 4.21Å; I120-L168 HydrophobicContact CD1-CD2 4.17Å; I120-L168 HydrophobicContact CG2-CD1 3.98Å; I120-L168 HydrophobicContact CG2-CD2 4.27Å; I120-S184 WeakPolarHBondContact O-CA 3.36Å; I120-S184 WeakPolarHBondContact O-CB 3.5Å; I120-S184 PolarHBondContact O-OG 2.91Å
121	F	87.9	Confident	92	Very high	5 Å²	5	40 Å²	40	2%	0.022	20%	0.203	C	C	.	.			trans	-145.2	147.6	169.8	-65	-52.5	0	0	0	110.1	V124 F126 V156 Y170 I173 L182 E183 I214	F121-V124 HydrophobicContact CB-CB 3.63Å; F121-V124 HydrophobicContact CB-CG2 3.58Å; F121-V124 HydrophobicContact CD1-CG2 4.23Å; F121-V124 HydrophobicContact CD2-CB 3.64Å; F121-V124 HydrophobicContact CD2-CG1 3.92Å; F121-V124 HydrophobicContact CD2-CG2 3.56Å; F121-V124 HydrophobicContact CE2-CG2 4.31Å; F121-V124 HydrophobicContact CG-CB 3.88Å; F121-V124 HydrophobicContact CG-CG2 3.53Å; F121-F126 HydrophobicContact CB-CE2 4.45Å; F121-F126 HydrophobicContact CB-CZ 4.47Å; F121-F126 HydrophobicContact CD2-CE1 4.18Å; F121-F126 HydrophobicContact CD2-CE2 4.27Å; F121-F126 AromaticContact CD2-CZ 3.52Å; F121-F126 HydrophobicContact CD2-CZ 3.52Å; F121-F126 HydrophobicContact CE2-CZ 4.24Å; F121-F126 HydrophobicContact CG-CZ 4.41Å; F121-V156 HydrophobicContact CE2-CG1 3.89Å; F121-V156 HydrophobicContact CZ-CG1 4.29Å; F121-Y170 HydrophobicContact CE1-CD1 4.35Å; F121-Y170 AromaticContact CE1-CE1 3.74Å; F121-Y170 HydrophobicContact CE1-CE1 3.74Å; F121-Y170 AromaticContact CZ-CD1 3.74Å; F121-Y170 HydrophobicContact CZ-CD1 3.74Å; F121-Y170 AromaticContact CZ-CE1 3.56Å; F121-Y170 HydrophobicContact CZ-CE1 3.56Å; F121-I173 HydrophobicContact CZ-CD1 4.03Å; F121-I173 HydrophobicContact CZ-CG1 4.43Å; F121-L182 HydrophobicContact CD1-CD2 4.12Å; F121-L182 HydrophobicContact CE1-CD2 3.65Å; F121-L182 HydrophobicContact CZ-CD2 4.15Å; F121-E183 WeakPolarHBondContact CA-O 3.49Å; F121-I214 HydrophobicContact CE1-CG2 3.82Å; F121-I214 HydrophobicContact CZ-CG2 4.3Å
122	Q	80	Confident	92	Very high	89 Å²	89	40 Å²	40	42%	0.416	20%	0.201	S	C	.	.	S	Bend	trans	-87.3	-28.8	174.6	-71.4	-175.8	47.8	0	0	114.2	E183	Q122-E183 HydrophobicContact CB-CB 4.42Å; Q122-E183 HydrophobicContact CG-CB 4.1Å; Q122-E183 PolarHBondContact N-O 3.29Å; Q122-E183 PolarHBondContact NE2-OE2 2.71Å
123	K	79.5	Confident	92	Very high	98 Å²	98	33.5 Å²	33.5	43%	0.426	17%	0.166	S	C	.	.	S	Bend	trans	-132.6	29.4	-169.6	-58.4	174.2	-168.7	149.3	0	112.6	E180 N181	K123-E180 PolarHBondContact NZ-O 2.82Å; K123-N181 HydrophobicContact CB-CB 4.07Å; K123-N181 HydrophobicContact CD-CB 4.46Å; K123-N181 WeakPolarHBondContact CD-OD1 2.97Å
124	V	84.4	Confident	91.7	Very high	13 Å²	13	32.1 Å²	32.1	8%	0.079	16%	0.159	C	C	.	.			trans	-111.1	129	173.7	177.9	0	0	0	0	109.4	F121 V145 Y150 I177	F121-V124 HydrophobicContact CB-CB 3.63Å; F121-V124 HydrophobicContact CB-CG2 3.58Å; F121-V124 HydrophobicContact CD1-CG2 4.23Å; F121-V124 HydrophobicContact CD2-CB 3.64Å; F121-V124 HydrophobicContact CD2-CG1 3.92Å; F121-V124 HydrophobicContact CD2-CG2 3.56Å; F121-V124 HydrophobicContact CE2-CG2 4.31Å; F121-V124 HydrophobicContact CG-CB 3.88Å; F121-V124 HydrophobicContact CG-CG2 3.53Å; V124-V145 HydrophobicContact CG1-CG1 4.04Å; V124-V145 HydrophobicContact CG1-CG2 4.07Å; V124-Y150 WeakPolarHBondContact CA-OH 3.41Å; V124-Y150 HydrophobicContact CG1-CE2 4.21Å; V124-I177 HydrophobicContact CG1-CD1 3.9Å; V124-I177 HydrophobicContact CG2-CD1 3.79Å; V124-I177 HydrophobicContact CG2-CG1 4.28Å; V124-I177 HydrophobicContact CG2-CG2 3.57Å
125	T	88.7	Confident	91	Very high	66 Å²	66	34.7 Å²	34.7	41%	0.405	17%	0.171	S	C	.	.			trans	-85.1	112.9	175.3	-47.9	0	0	0	0	109.7	L146 V149 Y150	T125-L146 HydrophobicContact CG2-CB 4.09Å; T125-L146 HydrophobicContact CG2-CD2 3.6Å; T125-L146 HydrophobicContact CG2-CG 4.49Å; T125-L146 VanDerWaalsContact O-CB 3.3Å; T125-L146 WeakPolarHBondContact O-CB 3.43Å; T125-L146 PolarHBondContact O-N 2.74Å; T125-V149 HydrophobicContact CG2-CG2 4.39Å; T125-Y150 PolarHBondContact N-OH 2.65Å
126	F	91.9	Very high	90.3	Very high	11 Å²	11	39.9 Å²	39.9	5%	0.048	20%	0.199	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-85.4	165.2	171.3	-64.5	-75.7	0	0	0	111.4	N103 I120 F121 W143 N144 V145 V156	N103-F126 VanDerWaalsContact O-CB 3.28Å; N103-F126 WeakPolarHBondContact O-CB 3.48Å; I120-F126 HydrophobicContact CB-CZ 4.37Å; I120-F126 HydrophobicContact CG2-CZ 4.31Å; F121-F126 HydrophobicContact CB-CE2 4.45Å; F121-F126 HydrophobicContact CB-CZ 4.47Å; F121-F126 HydrophobicContact CD2-CE1 4.18Å; F121-F126 HydrophobicContact CD2-CE2 4.27Å; F121-F126 AromaticContact CD2-CZ 3.52Å; F121-F126 HydrophobicContact CD2-CZ 3.52Å; F121-F126 HydrophobicContact CE2-CZ 4.24Å; F121-F126 HydrophobicContact CG-CZ 4.41Å; F126-W143 HydrophobicContact CD1-CB 3.5Å; F126-W143 VanDerWaalsContact CD1-CB 3.5Å; F126-W143 HydrophobicContact CD1-CG 4.3Å; F126-W143 HydrophobicContact CE1-CB 3.73Å; F126-W143 HydrophobicContact CE1-CG 4.48Å; F126-W143 HydrophobicContact CG-CB 4.08Å; F126-W143 HydrophobicContact CG-CG 4.49Å; F126-W143 HydrophobicContact CZ-CB 4.48Å; F126-N144 CarbonylContact C-O 3.56Å; F126-N144 WeakPolarHBondContact CA-O 3.21Å; F126-V145 HydrophobicContact CD1-CG2 4.2Å; F126-V145 HydrophobicContact CE1-CG2 4.17Å; F126-V156 HydrophobicContact CE1-CG2 3.64Å; F126-V156 HydrophobicContact CZ-CG2 4.06Å
127	E	93.7	Very high	89.8	Confident	29 Å²	29	46.8 Å²	46.8	14%	0.136	23%	0.231	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-60.7	151.1	167.3	-66.1	-169.8	177.6	0	0	110.9	K129 N144 L146	E127-K129 HydrophobicContact CB-CG 4.43Å; E127-K129 PolarHBondContact O-N 2.74Å; E127-K129 WeakPolarHBondContact OE2-CE 3.33Å; E127-K129 IonicContact OE2-NZ 2.65Å; E127-K129 PolarHBondContact OE2-NZ 2.84Å; E127-N144 HydrophobicContact CG-CB 4.21Å; E127-N144 PolarHBondContact N-O 3.46Å; E127-L146 HydrophobicContact CG-CD1 4.21Å
128	D	93.6	Very high	89.6	Confident	126 Å²	126	46.6 Å²	46.6	67%	0.674	23%	0.23	S	C	*	.	E	Extended strand (participates in β ladder)	trans	-60.4	-19.3	179.3	-68.2	-48.6	0	0	0	113.5	N103	N103-D128 WeakPolarHBondContact CB-O 3.36Å; N103-D128 WeakPolarHBondContact ND2-CA 3.49Å; N103-D128 PolarHBondContact ND2-O 3.27Å
129	K	93.9	Very high	89.5	Confident	77 Å²	77	46.5 Å²	46.5	34%	0.335	23%	0.229	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-109.6	151.3	179.9	74.6	-173.2	-174.4	-106.4	0	111.4	I76 E127	I76-K129 WeakPolarHBondContact O-CA 3.09Å; I76-K129 VanDerWaalsContact O-CB 3.24Å; I76-K129 WeakPolarHBondContact O-CB 3.37Å; E127-K129 HydrophobicContact CB-CG 4.43Å; E127-K129 PolarHBondContact O-N 2.74Å; E127-K129 WeakPolarHBondContact OE2-CE 3.33Å; E127-K129 IonicContact OE2-NZ 2.65Å; E127-K129 PolarHBondContact OE2-NZ 2.84Å
130	F	95	Very high	89.4	Confident	1 Å²	1	46.3 Å²	46.3	0%	0.004	23%	0.228	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-138.5	168.9	173.9	60.8	-78.5	0	0	0	111	I76 M78 E81 I101 N103 I132 I141 K142 W143	I76-F130 HydrophobicContact CB-CD1 4.19Å; I76-F130 HydrophobicContact CB-CD2 4.39Å; I76-F130 HydrophobicContact CB-CE1 3.96Å; I76-F130 HydrophobicContact CB-CE2 4.2Å; I76-F130 HydrophobicContact CB-CG 4.4Å; I76-F130 HydrophobicContact CB-CZ 3.98Å; I76-F130 HydrophobicContact CG1-CD2 4.43Å; I76-F130 HydrophobicContact CG1-CE2 4.12Å; I76-F130 HydrophobicContact CG1-CZ 4.28Å; I76-F130 HydrophobicContact CG2-CD1 4.3Å; I76-F130 HydrophobicContact CG2-CE1 3.64Å; I76-F130 HydrophobicContact CG2-CE2 4.36Å; I76-F130 HydrophobicContact CG2-CZ 3.68Å; I76-F130 PolarHBondContact N-O 2.81Å; I76-F130 PolarHBondContact O-N 3.32Å; I76-F130 VanDerWaalsContact O-N 3.09Å; M78-F130 WeakPolarHBondContact O-CE1 3.37Å; E81-F130 HydrophobicContact CB-CE2 4.31Å; E81-F130 HydrophobicContact CB-CZ 3.82Å; I101-F130 HydrophobicContact CB-CE2 3.99Å; I101-F130 HydrophobicContact CB-CZ 4.3Å; I101-F130 HydrophobicContact CG2-CD2 3.98Å; I101-F130 HydrophobicContact CG2-CE2 3.35Å; I101-F130 HydrophobicContact CG2-CZ 3.96Å; I101-F130 WeakPolarHBondContact O-CZ 3.5Å; N103-F130 HydrophobicContact CB-CD1 3.73Å; N103-F130 HydrophobicContact CB-CE1 4.09Å; F130-I132 HydrophobicContact CD2-CD1 4.4Å; F130-I132 HydrophobicContact CD2-CG1 3.94Å; F130-I132 HydrophobicContact CE2-CD1 3.71Å; F130-I132 HydrophobicContact CE2-CG1 3.77Å; F130-I141 HydrophobicContact CD2-CG2 3.89Å; F130-I141 HydrophobicContact CE2-CG2 4.43Å; F130-K142 WeakPolarHBondContact CB-O 3.34Å; F130-W143 HydrophobicContact CB-CG 4.24Å
131	E	94.9	Very high	89.6	Confident	26 Å²	26	46.3 Å²	46.3	12%	0.121	23%	0.228	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-115.7	126.7	-172.5	-79.8	162.9	-114.9	0	0	108.9	Y73 V74 K75 I141 K142 N144	Y73-E131 HydrophobicContact CD1-CB 4Å; Y73-E131 HydrophobicContact CG-CB 4.25Å; V74-E131 WeakPolarHBondContact O-CA 3.43Å; K75-E131 HydrophobicContact CG-CG 4.01Å; E131-I141 CarbonylContact O-C 3.51Å; E131-I141 WeakPolarHBondContact O-CA 3.22Å; E131-K142 HydrophobicContact CB-CB 4.02Å; E131-K142 HydrophobicContact CB-CG 4.5Å; E131-K142 PolarHBondContact N-O 2.9Å; E131-K142 PolarHBondContact O-N 3.28Å; E131-K142 IonicContact OE1-NZ 3.32Å; E131-K142 PolarHBondContact OE1-NZ 2.97Å; E131-K142 IonicContact OE2-NZ 2.8Å; E131-K142 PolarHBondContact OE2-NZ 2.69Å; E131-N144 PolarHBondContact OE1-ND2 3.39Å
132	I	94.7	Very high	89.9	Confident	11 Å²	11	48.5 Å²	48.5	6%	0.056	24%	0.238	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-118.5	135.1	175.1	-54.2	178	0	0	0	109.9	Y73 V74 I76 E81 V83 I101 F130 D134 I139 A140 I141	Y73-I132 CarbonylContact C-O 3.6Å; Y73-I132 WeakPolarHBondContact CA-O 3.46Å; V74-I132 PolarHBondContact N-O 3.42Å; V74-I132 PolarHBondContact O-N 3.25Å; I76-I132 HydrophobicContact CD1-CD1 4.22Å; I76-I132 HydrophobicContact CG1-CD1 3.73Å; I76-I132 HydrophobicContact CG1-CG1 3.88Å; E81-I132 HydrophobicContact CB-CD1 4.01Å; E81-I132 HydrophobicContact CG-CD1 3.72Å; V83-I132 HydrophobicContact CG2-CD1 3.97Å; V83-I132 HydrophobicContact CG2-CG2 4.49Å; I101-I132 HydrophobicContact CD1-CD1 3.96Å; F130-I132 HydrophobicContact CD2-CD1 4.4Å; F130-I132 HydrophobicContact CD2-CG1 3.94Å; F130-I132 HydrophobicContact CE2-CD1 3.71Å; F130-I132 HydrophobicContact CE2-CG1 3.77Å; I132-D134 HydrophobicContact CG2-CB 4.29Å; I132-I139 HydrophobicContact CG2-CG2 4.47Å; I132-A140 CarbonylContact C-O 3.56Å; I132-A140 WeakPolarHBondContact CA-O 3.19Å; I132-I141 HydrophobicContact CG1-CG2 4.49Å
133	N	91.9	Very high	90.6	Very high	7 Å²	7	44.3 Å²	44.3	4%	0.037	22%	0.218	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-116.4	128	156.7	-171.1	-3.3	0	0	0	109	Y73 H135 I139 A140	Y73-N133 HydrophobicContact CD1-CB 3.81Å; Y73-N133 HydrophobicContact CE1-CB 3.89Å; Y73-N133 HydrophobicContact CG-CB 4.26Å; N133-H135 PolarHBondContact ND2-CD2 2.93Å; N133-H135 PolarHBondContact ND2-NE2 2.76Å; N133-H135 PolarHBondContact OD1-CD2 2.87Å; N133-H135 PolarHBondContact OD1-CE1 2.85Å; N133-H135 PolarHBondContact OD1-NE2 2.88Å; N133-H135 VanDerWaalsContact OD1-NE2 3.14Å; N133-I139 CarbonylContact O-C 3.58Å; N133-I139 WeakPolarHBondContact O-CA 3.35Å; N133-A140 HydrophobicContact CB-CB 4.48Å; N133-A140 PolarHBondContact N-O 3.01Å; N133-A140 PolarHBondContact O-N 2.8Å
134	D	86.6	Confident	91.3	Very high	38 Å²	38	40.7 Å²	40.7	20%	0.203	20%	0.203	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-129.3	88.4	-177.3	168.8	41.8	0	0	0	108.6	K86 I132	K86-D134 VanDerWaalsContact CE-OD2 3.29Å; K86-D134 WeakPolarHBondContact CE-OD2 3.36Å; K86-D134 VanDerWaalsContact NZ-CG 3.28Å; K86-D134 PolarHBondContact NZ-O 2.63Å; K86-D134 IonicContact NZ-OD1 2.88Å; K86-D134 IonicContact NZ-OD2 2.73Å; K86-D134 PolarHBondContact NZ-OD2 3.49Å; I132-D134 HydrophobicContact CG2-CB 4.29Å
135	H	80.1	Confident	91.6	Very high	81 Å²	81	40.1 Å²	40.1	38%	0.375	20%	0.2	S	C	.	.			trans	-104.6	170.1	175.2	-69.5	-42.8	0	0	0	110.5	N133 E137 F138	N133-H135 PolarHBondContact ND2-CD2 2.93Å; N133-H135 PolarHBondContact ND2-NE2 2.76Å; N133-H135 PolarHBondContact OD1-CD2 2.87Å; N133-H135 PolarHBondContact OD1-CE1 2.85Å; N133-H135 PolarHBondContact OD1-NE2 2.88Å; N133-H135 VanDerWaalsContact OD1-NE2 3.14Å; H135-E137 PolarHBondContact O-N 2.85Å; H135-F138 PolarHBondContact N-O 2.87Å; H135-F138 VanDerWaalsContact N-O 3.14Å; H135-F138 VanDerWaalsContact O-O 3.11Å
136	D	80.1	Confident	91.6	Very high	121 Å²	121	39 Å²	39	65%	0.647	19%	0.191	S	C	*	.	S	Bend	trans	-67.1	-18.1	177.3	-61.4	-30.5	0	0	0	113	K86 F87	K86-D136 WeakPolarHBondContact CB-OD1 3.32Å; F87-D136 WeakPolarHBondContact CD1-O 3.49Å
137	E	86.2	Confident	91.3	Very high	145 Å²	145	44.2 Å²	44.2	68%	0.678	21%	0.214	S	C	*	.	S	Bend	trans	-89.5	-31.8	-177.8	-60.4	-171.8	149.8	0	0	114	H135 P162	H135-E137 PolarHBondContact O-N 2.85Å; E137-P162 WeakPolarHBondContact O-CD 3.38Å; E137-P162 WeakPolarHBondContact O-CG 3.09Å
138	F	92.3	Very high	90.9	Very high	29 Å²	29	47.7 Å²	47.7	13%	0.127	24%	0.241	C	C	.	.			trans	-169	161.1	178.6	58.8	-91.1	0	0	0	111.3	V68 H135 A140 L159 I160 Y161	V68-F138 HydrophobicContact CG2-CE2 4.29Å; V68-F138 HydrophobicContact CG2-CZ 4.1Å; H135-F138 PolarHBondContact N-O 2.87Å; H135-F138 VanDerWaalsContact N-O 3.14Å; H135-F138 VanDerWaalsContact O-O 3.11Å; F138-A140 HydrophobicContact CD2-CB 3.87Å; F138-A140 HydrophobicContact CE2-CB 3.79Å; F138-L159 HydrophobicContact CD2-CD2 4.32Å; F138-L159 HydrophobicContact CE2-CD2 4.49Å; F138-I160 WeakPolarHBondContact CA-O 3.22Å; F138-Y161 HydrophobicContact CB-CD1 3.83Å; F138-Y161 HydrophobicContact CB-CE1 4.01Å; F138-Y161 HydrophobicContact CG-CE1 4.45Å
139	I	94.7	Very high	90.5	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	-106.1	123.3	164.4	-55.2	166.3	0	0	0	107.4	V83 P85 F87 L99 I132 N133 I141 L159 I160	V83-I139 HydrophobicContact CG1-CD1 3.97Å; P85-I139 HydrophobicContact CB-CD1 4.04Å; P85-I139 HydrophobicContact CG-CD1 4.06Å; F87-I139 HydrophobicContact CE1-CD1 4.4Å; F87-I139 HydrophobicContact CE1-CG1 3.97Å; F87-I139 HydrophobicContact CZ-CD1 4Å; F87-I139 HydrophobicContact CZ-CG1 3.85Å; L99-I139 HydrophobicContact CD1-CD1 3.7Å; I132-I139 HydrophobicContact CG2-CG2 4.47Å; N133-I139 CarbonylContact O-C 3.58Å; N133-I139 WeakPolarHBondContact O-CA 3.35Å; I139-I141 HydrophobicContact CG2-CD1 3.85Å; I139-I141 HydrophobicContact CG2-CG1 4.38Å; I139-L159 CarbonylContact O-C 3.55Å; I139-L159 WeakPolarHBondContact O-CA 3.5Å; I139-I160 HydrophobicContact CB-CB 4.41Å; I139-I160 PolarHBondContact N-O 2.97Å; I139-I160 PolarHBondContact O-N 2.9Å
140	A	95.2	Very high	90.1	Very high	0 Å²	0	42.9 Å²	42.9	0%	0	22%	0.22	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-113.5	131.4	172.7	0	0	0	0	0	110.3	Y73 I132 N133 F138 Y158 L159	Y73-A140 HydrophobicContact CE1-CB 3.88Å; I132-A140 CarbonylContact C-O 3.56Å; I132-A140 WeakPolarHBondContact CA-O 3.19Å; N133-A140 HydrophobicContact CB-CB 4.48Å; N133-A140 PolarHBondContact N-O 3.01Å; N133-A140 PolarHBondContact O-N 2.8Å; F138-A140 HydrophobicContact CD2-CB 3.87Å; F138-A140 HydrophobicContact CE2-CB 3.79Å; A140-Y158 CarbonylContact C-O 3.6Å; A140-Y158 WeakPolarHBondContact CA-O 3.42Å; A140-L159 HydrophobicContact CB-CD2 4.18Å; A140-L159 HydrophobicContact CB-CG 4.21Å
141	I	95.6	Very high	89.3	Confident	0 Å²	0	47 Å²	47	0%	0	26%	0.255	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-121.7	129.9	176.6	-48.3	85.1	0	0	0	108.1	I101 I107 F130 E131 I132 I139 W143 V157 Y158 I160	I101-I141 HydrophobicContact CD1-CD1 4.49Å; I101-I141 HydrophobicContact CD1-CG1 3.86Å; I101-I141 HydrophobicContact CG1-CG1 4.46Å; I101-I141 HydrophobicContact CG2-CG1 4.3Å; I101-I141 HydrophobicContact CG2-CG2 3.75Å; I107-I141 HydrophobicContact CD1-CD1 4.13Å; F130-I141 HydrophobicContact CD2-CG2 3.89Å; F130-I141 HydrophobicContact CE2-CG2 4.43Å; E131-I141 CarbonylContact O-C 3.51Å; E131-I141 WeakPolarHBondContact O-CA 3.22Å; I132-I141 HydrophobicContact CG1-CG2 4.49Å; I139-I141 HydrophobicContact CG2-CD1 3.85Å; I139-I141 HydrophobicContact CG2-CG1 4.38Å; I141-W143 HydrophobicContact CB-CE3 4.38Å; I141-W143 HydrophobicContact CB-CH2 3.72Å; I141-W143 HydrophobicContact CB-CZ2 4.36Å; I141-W143 HydrophobicContact CB-CZ3 3.71Å; I141-W143 HydrophobicContact CG1-CH2 4.45Å; I141-W143 HydrophobicContact CG2-CD2 4.09Å; I141-W143 HydrophobicContact CG2-CE3 3.93Å; I141-W143 HydrophobicContact CG2-CH2 3.41Å; I141-W143 VanDerWaalsContact CG2-CH2 3.41Å; I141-W143 HydrophobicContact CG2-CZ2 3.55Å; I141-W143 HydrophobicContact CG2-CZ3 3.59Å; I141-V157 CarbonylContact O-C 3.58Å; I141-V157 WeakPolarHBondContact O-CA 2.89Å; I141-Y158 PolarHBondContact N-O 3.19Å; I141-Y158 PolarHBondContact O-N 2.97Å; I141-I160 HydrophobicContact CD1-CD1 4.29Å
142	K	95	Very high	88.6	Confident	51 Å²	51	48.5 Å²	48.5	22%	0.222	26%	0.262	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-122.1	130.1	178.3	170.5	-177.7	165.3	-146.1	0	110.6	Y73 F130 E131 N144 V156 V157	Y73-K142 HydrophobicContact CE1-CB 4.35Å; F130-K142 WeakPolarHBondContact CB-O 3.34Å; E131-K142 HydrophobicContact CB-CB 4.02Å; E131-K142 HydrophobicContact CB-CG 4.5Å; E131-K142 PolarHBondContact N-O 2.9Å; E131-K142 PolarHBondContact O-N 3.28Å; E131-K142 IonicContact OE1-NZ 3.32Å; E131-K142 PolarHBondContact OE1-NZ 2.97Å; E131-K142 IonicContact OE2-NZ 2.8Å; E131-K142 PolarHBondContact OE2-NZ 2.69Å; K142-N144 WeakPolarHBondContact CE-OD1 3.38Å; K142-V156 WeakPolarHBondContact CA-O 3.49Å; K142-V157 HydrophobicContact CB-CG2 4.13Å; K142-V157 HydrophobicContact CD-CG2 4.35Å; K142-V157 HydrophobicContact CG-CG2 4.09Å
143	W	94.8	Very high	88	Confident	1 Å²	1	51.1 Å²	51.1	0%	0.004	28%	0.278	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-114.7	143.5	171.3	-61.7	-100	0	0	0	110	I101 S102 I107 I120 F126 F130 I141 S155 V156	I101-W143 HydrophobicContact CG2-CH2 4.35Å; I101-W143 HydrophobicContact CG2-CZ2 3.7Å; S102-W143 PolarHBondContact O-NE1 2.91Å; I107-W143 HydrophobicContact CD1-CH2 4.07Å; I107-W143 HydrophobicContact CG1-CH2 3.96Å; I107-W143 HydrophobicContact CG1-CZ2 4.35Å; I120-W143 HydrophobicContact CD1-CZ3 4.39Å; I120-W143 HydrophobicContact CG1-CE3 4.4Å; I120-W143 HydrophobicContact CG1-CH2 4.19Å; I120-W143 HydrophobicContact CG1-CZ3 3.99Å; F126-W143 HydrophobicContact CD1-CB 3.5Å; F126-W143 VanDerWaalsContact CD1-CB 3.5Å; F126-W143 HydrophobicContact CD1-CG 4.3Å; F126-W143 HydrophobicContact CE1-CB 3.73Å; F126-W143 HydrophobicContact CE1-CG 4.48Å; F126-W143 HydrophobicContact CG-CB 4.08Å; F126-W143 HydrophobicContact CG-CG 4.49Å; F126-W143 HydrophobicContact CZ-CB 4.48Å; F130-W143 HydrophobicContact CB-CG 4.24Å; I141-W143 HydrophobicContact CB-CE3 4.38Å; I141-W143 HydrophobicContact CB-CH2 3.72Å; I141-W143 HydrophobicContact CB-CZ2 4.36Å; I141-W143 HydrophobicContact CB-CZ3 3.71Å; I141-W143 HydrophobicContact CG1-CH2 4.45Å; I141-W143 HydrophobicContact CG2-CD2 4.09Å; I141-W143 HydrophobicContact CG2-CE3 3.93Å; I141-W143 HydrophobicContact CG2-CH2 3.41Å; I141-W143 VanDerWaalsContact CG2-CH2 3.41Å; I141-W143 HydrophobicContact CG2-CZ2 3.55Å; I141-W143 HydrophobicContact CG2-CZ3 3.59Å; W143-S155 VanDerWaalsContact O-CA 3.3Å; W143-S155 WeakPolarHBondContact O-CA 3.24Å; W143-V156 HydrophobicContact CB-CG2 3.93Å; W143-V156 HydrophobicContact CE3-CG2 4.17Å; W143-V156 PolarHBondContact N-O 3.45Å; W143-V156 PolarHBondContact O-N 3.16Å
144	N	93.3	Very high	87.8	Confident	21 Å²	21	50.8 Å²	50.8	11%	0.112	28%	0.276	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-107.3	140.2	172.4	-54.5	-69.1	0	0	0	108.3	F126 E127 E131 K142	F126-N144 CarbonylContact C-O 3.56Å; F126-N144 WeakPolarHBondContact CA-O 3.21Å; E127-N144 HydrophobicContact CG-CB 4.21Å; E127-N144 PolarHBondContact N-O 3.46Å; E131-N144 PolarHBondContact OE1-ND2 3.39Å; K142-N144 WeakPolarHBondContact CE-OD1 3.38Å
145	V	91	Very high	88.1	Confident	1 Å²	1	49.5 Å²	49.5	1%	0.006	27%	0.27	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-78	140.5	179.5	176.2	0	0	0	0	109.7	V124 F126 K147 Y150 G154 P174	V124-V145 HydrophobicContact CG1-CG1 4.04Å; V124-V145 HydrophobicContact CG1-CG2 4.07Å; F126-V145 HydrophobicContact CD1-CG2 4.2Å; F126-V145 HydrophobicContact CE1-CG2 4.17Å; V145-K147 PolarHBondContact O-N 3.25Å; V145-K147 VanDerWaalsContact O-N 3.13Å; V145-Y150 HydrophobicContact CG1-CD2 3.16Å; V145-Y150 HydrophobicContact CG1-CE2 3.62Å; V145-Y150 HydrophobicContact CG1-CG 3.81Å; V145-G154 PolarHBondContact N-O 3.34Å; V145-P174 HydrophobicContact CB-CG 4.48Å; V145-P174 HydrophobicContact CG1-CG 4Å
146	L	89.3	Confident	88.8	Confident	42 Å²	42	45.7 Å²	45.7	22%	0.22	25%	0.252	C	S	.	.			trans	-72	108.5	-170.2	-178.1	58.9	0	0	0	112.5	T125 E127 S148 V149 Y150	T125-L146 HydrophobicContact CG2-CB 4.09Å; T125-L146 HydrophobicContact CG2-CD2 3.6Å; T125-L146 HydrophobicContact CG2-CG 4.49Å; T125-L146 VanDerWaalsContact O-CB 3.3Å; T125-L146 WeakPolarHBondContact O-CB 3.43Å; T125-L146 PolarHBondContact O-N 2.74Å; E127-L146 HydrophobicContact CG-CD1 4.21Å; L146-S148 VanDerWaalsContact CG-OG 3.31Å; L146-S148 WeakPolarHBondContact CG-OG 3.4Å; L146-S148 PolarHBondContact O-N 3.35Å; L146-V149 HydrophobicContact CD2-CG2 3.85Å; L146-V149 HydrophobicContact CG-CG2 4.2Å; L146-V149 PolarHBondContact O-N 3.18Å; L146-Y150 PolarHBondContact O-N 2.97Å
147	K	86.1	Confident	89.5	Confident	121 Å²	121	40.9 Å²	40.9	53%	0.526	23%	0.227	S	C	.	.	T	Hydrogen-bonded Turn	trans	-62.3	-13.4	-176.5	-52.7	-172.3	-172.6	-164	0	116.2	V145 V149 Y150 V153	V145-K147 PolarHBondContact O-N 3.25Å; V145-K147 VanDerWaalsContact O-N 3.13Å; K147-V149 VanDerWaalsContact C-N 3.34Å; K147-Y150 CarbonylContact C-O 3.58Å; K147-Y150 WeakPolarHBondContact CA-O 3.35Å; K147-Y150 VanDerWaalsContact O-O 3.13Å; K147-V153 HydrophobicContact CD-CG2 4.07Å
148	S	85.7	Confident	89.9	Confident	103 Å²	103	34 Å²	34	72%	0.72	20%	0.195	S	C	*	.	T	Hydrogen-bonded Turn	trans	-84.6	-11.4	173.2	56.9	0	0	0	0	113.1	L146	L146-S148 VanDerWaalsContact CG-OG 3.31Å; L146-S148 WeakPolarHBondContact CG-OG 3.4Å; L146-S148 PolarHBondContact O-N 3.35Å
149	V	84.8	Confident	90.1	Very high	77 Å²	77	32.6 Å²	32.6	47%	0.467	19%	0.189	S	C	.	.	T	Hydrogen-bonded Turn	trans	-107.2	-33.4	177.9	180	0	0	0	0	111.4	T125 L146 K147	T125-V149 HydrophobicContact CG2-CG2 4.39Å; L146-V149 HydrophobicContact CD2-CG2 3.85Å; L146-V149 HydrophobicContact CG-CG2 4.2Å; L146-V149 PolarHBondContact O-N 3.18Å; K147-V149 VanDerWaalsContact C-N 3.34Å
150	Y	84.2	Confident	90.2	Very high	24 Å²	24	32.7 Å²	32.7	9%	0.094	19%	0.19	C	C	.	.			trans	-124.8	139.4	-177.4	-51.1	-82.5	0	0	0	110.5	V124 T125 V145 L146 K147 P174 E176 I177	V124-Y150 WeakPolarHBondContact CA-OH 3.41Å; V124-Y150 HydrophobicContact CG1-CE2 4.21Å; T125-Y150 PolarHBondContact N-OH 2.65Å; V145-Y150 HydrophobicContact CG1-CD2 3.16Å; V145-Y150 HydrophobicContact CG1-CE2 3.62Å; V145-Y150 HydrophobicContact CG1-CG 3.81Å; L146-Y150 PolarHBondContact O-N 2.97Å; K147-Y150 CarbonylContact C-O 3.58Å; K147-Y150 WeakPolarHBondContact CA-O 3.35Å; K147-Y150 VanDerWaalsContact O-O 3.13Å; Y150-P174 HydrophobicContact CD1-CB 4.25Å; Y150-P174 HydrophobicContact CG-CB 4.23Å; Y150-P174 HydrophobicContact CG-CG 4.29Å; Y150-E176 HydrophobicContact CD1-CB 4.46Å; Y150-I177 HydrophobicContact CD1-CD1 4.1Å; Y150-I177 HydrophobicContact CD1-CG1 3.71Å; Y150-I177 HydrophobicContact CE1-CD1 3.92Å; Y150-I177 HydrophobicContact CE1-CG1 3.37Å
151	A	79.1	Confident	90.2	Very high	89 Å²	89	35.4 Å²	35.4	74%	0.736	20%	0.2	S	C	*	.	S	Bend	trans	-76.7	-30.1	-174.3	0	0	0	0	0	113.1	E176	A151-E176 WeakPolarHBondContact CB-OE1 3.28Å; A151-E176 PolarHBondContact N-OE1 2.82Å; A151-E176 VanDerWaalsContact N-OE1 3.1Å
152	E	79.2	Confident	90	Very high	57 Å²	57	37.8 Å²	37.8	27%	0.266	22%	0.216	S	C	.	.	S	Bend	trans	-91.2	152.5	-179.7	-59.2	-175.8	151.4	0	0	111.4	G154 P174 K175	E152-G154 PolarHBondContact O-N 3.06Å; E152-G154 VanDerWaalsContact O-N 3.14Å; E152-P174 HydrophobicContact CB-CB 4.07Å; E152-P174 HydrophobicContact CB-CG 4.24Å; E152-P174 WeakPolarHBondContact O-CG 3.4Å; E152-K175 IonicContact OE1-NZ 2.6Å; E152-K175 PolarHBondContact OE1-NZ 3.18Å; E152-K175 WeakPolarHBondContact OE2-CG 3.46Å; E152-K175 PolarHBondContact OE2-N 3.34Å; E152-K175 IonicContact OE2-NZ 2.8Å; E152-K175 PolarHBondContact OE2-NZ 3.1Å
153	V	82.7	Confident	89.9	Confident	66 Å²	66	40.2 Å²	40.2	40%	0.4	23%	0.231	S	C	.	.			trans	-89.1	82.8	-174.3	-178.7	0	0	0	0	110.2	K147	K147-V153 HydrophobicContact CD-CG2 4.07Å
154	G	88.6	Confident	89.9	Confident	0 Å²	0	40.2 Å²	40.2	0%	0	23%	0.231	C	C	.	.			trans	-70.7	147.9	176.3	0	0	0	0	0	114	V145 E152 E172	V145-G154 PolarHBondContact N-O 3.34Å; E152-G154 PolarHBondContact O-N 3.06Å; E152-G154 VanDerWaalsContact O-N 3.14Å; G154-E172 CarbonylContact C-O 3.55Å; G154-E172 WeakPolarHBondContact CA-O 3.45Å
155	S	92.4	Very high	90	Very high	10 Å²	10	41.1 Å²	41.1	7%	0.07	23%	0.234	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-155.3	150.6	167.5	47.7	0	0	0	0	112.2	W143 N171 E172	W143-S155 VanDerWaalsContact O-CA 3.3Å; W143-S155 WeakPolarHBondContact O-CA 3.24Å; S155-N171 WeakPolarHBondContact O-CB 3.47Å; S155-N171 PolarHBondContact O-N 2.61Å; S155-N171 VanDerWaalsContact O-N 3.08Å; S155-N171 PolarHBondContact OG-ND2 2.87Å; S155-E172 PolarHBondContact N-O 2.65Å; S155-E172 PolarHBondContact O-N 3.2Å
156	V	94.2	Very high	90.2	Very high	1 Å²	1	41.3 Å²	41.3	1%	0.006	24%	0.235	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-137.7	140.8	-178.1	-65.3	0	0	0	0	109.7	I120 F121 F126 K142 W143 L168 Y169 Y170	I120-V156 HydrophobicContact CG2-CB 4.18Å; I120-V156 HydrophobicContact CG2-CG1 4.33Å; I120-V156 HydrophobicContact CG2-CG2 3.83Å; F121-V156 HydrophobicContact CE2-CG1 3.89Å; F121-V156 HydrophobicContact CZ-CG1 4.29Å; F126-V156 HydrophobicContact CE1-CG2 3.64Å; F126-V156 HydrophobicContact CZ-CG2 4.06Å; K142-V156 WeakPolarHBondContact CA-O 3.49Å; W143-V156 HydrophobicContact CB-CG2 3.93Å; W143-V156 HydrophobicContact CE3-CG2 4.17Å; W143-V156 PolarHBondContact N-O 3.45Å; W143-V156 PolarHBondContact O-N 3.16Å; V156-L168 HydrophobicContact CB-CD1 4.35Å; V156-Y169 WeakPolarHBondContact CA-O 3.28Å; V156-Y170 HydrophobicContact CG1-CD1 3.81Å
157	V	94.7	Very high	90.6	Very high	20 Å²	20	39.3 Å²	39.3	12%	0.121	23%	0.225	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-123.5	129.8	178.7	-172.6	0	0	0	0	109.2	I141 K142 L159 Y169	I141-V157 CarbonylContact O-C 3.58Å; I141-V157 WeakPolarHBondContact O-CA 2.89Å; K142-V157 HydrophobicContact CB-CG2 4.13Å; K142-V157 HydrophobicContact CD-CG2 4.35Å; K142-V157 HydrophobicContact CG-CG2 4.09Å; V157-L159 HydrophobicContact CG1-CD1 3.93Å; V157-L159 HydrophobicContact CG1-CG 4.28Å; V157-Y169 PolarHBondContact N-O 2.89Å; V157-Y169 PolarHBondContact O-N 3.21Å
158	Y	96.1	Very high	91.1	Very high	0 Å²	0	33.7 Å²	33.7	0%	0	20%	0.201	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-116.2	127.9	175	-158.6	-84.1	0	0	0	109.8	I107 I118 I120 A140 I141 I160 M166 S167 L168	I107-Y158 HydrophobicContact CD1-CD1 3.93Å; I107-Y158 HydrophobicContact CD1-CE1 4.35Å; I107-Y158 HydrophobicContact CD1-CG 4.35Å; I118-Y158 HydrophobicContact CD1-CE1 3.68Å; I118-Y158 WeakPolarHBondContact CD1-OH 3.45Å; I118-Y158 HydrophobicContact CG2-CD2 4.22Å; I118-Y158 HydrophobicContact CG2-CE1 4.37Å; I118-Y158 HydrophobicContact CG2-CE2 3.58Å; I120-Y158 HydrophobicContact CD1-CD2 3.35Å; I120-Y158 HydrophobicContact CD1-CE2 3.91Å; I120-Y158 HydrophobicContact CD1-CG 4.11Å; A140-Y158 CarbonylContact C-O 3.6Å; A140-Y158 WeakPolarHBondContact CA-O 3.42Å; I141-Y158 PolarHBondContact N-O 3.19Å; I141-Y158 PolarHBondContact O-N 2.97Å; Y158-I160 HydrophobicContact CD1-CD1 4.34Å; Y158-I160 HydrophobicContact CD1-CG1 3.86Å; Y158-I160 HydrophobicContact CE1-CD1 4.33Å; Y158-I160 HydrophobicContact CE1-CG1 3.81Å; Y158-M166 HydrophobicContact CE1-CB 3.82Å; Y158-M166 HydrophobicContact CE1-CG 4.18Å; Y158-M166 HydrophobicContact CE1-SD 4.36Å; Y158-M166 WeakPolarHBondContact OH-CB 3.37Å; Y158-S167 CarbonylContact C-O 3.55Å; Y158-S167 WeakPolarHBondContact CA-O 3.32Å; Y158-L168 HydrophobicContact CD2-CB 3.68Å; Y158-L168 HydrophobicContact CD2-CD1 4.14Å; Y158-L168 HydrophobicContact CD2-CD2 4.43Å; Y158-L168 HydrophobicContact CD2-CG 4.28Å; Y158-L168 HydrophobicContact CE2-CB 3.83Å
159	L	95.6	Very high	91.6	Very high	0 Å²	0	29 Å²	29	0%	0	17%	0.167	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-117	139.5	-178.6	-56.7	99.1	0	0	0	110.1	P67 V68 F138 I139 A140 V157 Y161 M166 S167	P67-L159 HydrophobicContact CB-CD1 4.43Å; P67-L159 HydrophobicContact CG-CD1 3.61Å; V68-L159 HydrophobicContact CB-CD2 4.46Å; V68-L159 HydrophobicContact CG2-CD2 3.49Å; V68-L159 VanDerWaalsContact CG2-CD2 3.49Å; F138-L159 HydrophobicContact CD2-CD2 4.32Å; F138-L159 HydrophobicContact CE2-CD2 4.49Å; I139-L159 CarbonylContact O-C 3.55Å; I139-L159 WeakPolarHBondContact O-CA 3.5Å; A140-L159 HydrophobicContact CB-CD2 4.18Å; A140-L159 HydrophobicContact CB-CG 4.21Å; V157-L159 HydrophobicContact CG1-CD1 3.93Å; V157-L159 HydrophobicContact CG1-CG 4.28Å; L159-Y161 HydrophobicContact CB-CE2 3.93Å; L159-M166 CarbonylContact O-C 3.54Å; L159-M166 WeakPolarHBondContact O-CA 3.44Å; L159-S167 PolarHBondContact N-O 2.69Å; L159-S167 PolarHBondContact O-N 2.83Å
160	I	96.2	Very high	92	Very high	3 Å²	3	25.3 Å²	25.3	2%	0.015	15%	0.145	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-127.3	120.1	179.3	-57.2	173.1	0	0	0	108	L89 L99 I107 F138 I139 I141 Y158 M166	L89-I160 HydrophobicContact CD1-CG2 3.71Å; L89-I160 HydrophobicContact CD2-CG2 3.64Å; L89-I160 HydrophobicContact CG-CG2 4.35Å; L99-I160 HydrophobicContact CD1-CD1 3.66Å; I107-I160 HydrophobicContact CD1-CD1 4.31Å; F138-I160 WeakPolarHBondContact CA-O 3.22Å; I139-I160 HydrophobicContact CB-CB 4.41Å; I139-I160 PolarHBondContact N-O 2.97Å; I139-I160 PolarHBondContact O-N 2.9Å; I141-I160 HydrophobicContact CD1-CD1 4.29Å; Y158-I160 HydrophobicContact CD1-CD1 4.34Å; Y158-I160 HydrophobicContact CD1-CG1 3.86Å; Y158-I160 HydrophobicContact CE1-CD1 4.33Å; Y158-I160 HydrophobicContact CE1-CG1 3.81Å; I160-M166 HydrophobicContact CG1-CG 4.35Å; I160-M166 HydrophobicContact CG2-CG 4.46Å
161	Y	94.9	Very high	92.4	Very high	57 Å²	57	26.8 Å²	26.8	22%	0.224	15%	0.154	C	C	.	.			trans	-104.1	155.1	-174.9	-61.1	-82.2	0	0	0	112.4	F138 L159 N163 G164 K165	F138-Y161 HydrophobicContact CB-CD1 3.83Å; F138-Y161 HydrophobicContact CB-CE1 4.01Å; F138-Y161 HydrophobicContact CG-CE1 4.45Å; L159-Y161 HydrophobicContact CB-CE2 3.93Å; Y161-N163 WeakPolarHBondContact CB-OD1 3.47Å; Y161-N163 PolarHBondContact O-N 3.44Å; Y161-N163 VanDerWaalsContact O-N 3.14Å; Y161-G164 PolarHBondContact O-N 3.11Å; Y161-K165 HydrophobicContact CD2-CB 4.1Å; Y161-K165 HydrophobicContact CD2-CD 4.47Å; Y161-K165 HydrophobicContact CD2-CG 4.12Å; Y161-K165 WeakPolarHBondContact CD2-O 3.28Å; Y161-K165 PolarHBondContact N-O 2.79Å
162	P	93.2	Very high	92.7	Very high	50 Å²	50	25.5 Å²	25.5	33%	0.325	13%	0.133	S	C	.	.	T	Hydrogen-bonded Turn	trans	-55.7	-29.9	-179.2	-28.9	32.8	0	0	0	116.2	F87 E137 G164	F87-P162 HydrophobicContact CB-CB 4.08Å; F87-P162 HydrophobicContact CB-CG 4.07Å; F87-P162 HydrophobicContact CD1-CG 3.93Å; F87-P162 VanDerWaalsContact CD2-CA 3.48Å; F87-P162 HydrophobicContact CD2-CB 3.86Å; F87-P162 HydrophobicContact CD2-CG 3.91Å; F87-P162 HydrophobicContact CE1-CG 4.29Å; F87-P162 HydrophobicContact CE2-CB 4.43Å; F87-P162 HydrophobicContact CE2-CG 4.25Å; F87-P162 HydrophobicContact CG-CB 3.97Å; F87-P162 HydrophobicContact CG-CG 3.7Å; F87-P162 HydrophobicContact CZ-CG 4.43Å; E137-P162 WeakPolarHBondContact O-CD 3.38Å; E137-P162 WeakPolarHBondContact O-CG 3.09Å; P162-G164 PolarHBondContact O-N 3.24Å
163	N	92.1	Very high	92.9	Very high	101 Å²	101	23.7 Å²	23.7	54%	0.54	13%	0.125	S	C	.	.	T	Hydrogen-bonded Turn	trans	-76.4	-3.2	176.8	67	-13.4	0	0	0	113.8	Y161 K165	Y161-N163 WeakPolarHBondContact CB-OD1 3.47Å; Y161-N163 PolarHBondContact O-N 3.44Å; Y161-N163 VanDerWaalsContact O-N 3.14Å; N163-K165 WeakPolarHBondContact OD1-CB 3.15Å; N163-K165 PolarHBondContact OD1-N 3.36Å
164	G	93.6	Very high	92.9	Very high	1 Å²	1	20.6 Å²	20.6	1%	0.01	11%	0.106	C	C	.	.	S	Bend	trans	85.5	3.6	-174.9	0	0	0	0	0	114.4	Y161 P162 P224	Y161-G164 PolarHBondContact O-N 3.11Å; P162-G164 PolarHBondContact O-N 3.24Å; G164-P224 WeakPolarHBondContact O-CD 3.37Å; G164-P224 WeakPolarHBondContact O-CG 3.34Å
165	K	95.9	Very high	92.4	Very high	41 Å²	41	27.7 Å²	27.7	18%	0.178	14%	0.137	C	C	.	.			trans	-64.9	142.3	165.9	-176.6	175.9	179.1	175.4	0	109.1	Y161 N163 E221 F222	Y161-K165 HydrophobicContact CD2-CB 4.1Å; Y161-K165 HydrophobicContact CD2-CD 4.47Å; Y161-K165 HydrophobicContact CD2-CG 4.12Å; Y161-K165 WeakPolarHBondContact CD2-O 3.28Å; Y161-K165 PolarHBondContact N-O 2.79Å; N163-K165 WeakPolarHBondContact OD1-CB 3.15Å; N163-K165 PolarHBondContact OD1-N 3.36Å; K165-E221 WeakPolarHBondContact CE-OE1 3.29Å; K165-E221 WeakPolarHBondContact CE-OE2 3.5Å; K165-E221 IonicContact NZ-OE1 3.28Å; K165-E221 PolarHBondContact NZ-OE1 2.79Å; K165-E221 IonicContact NZ-OE2 2.8Å; K165-E221 PolarHBondContact NZ-OE2 3.4Å; K165-F222 CarbonylContact C-O 3.55Å; K165-F222 WeakPolarHBondContact CA-O 3.08Å
166	M	96.7	Very high	91.7	Very high	4 Å²	4	31.6 Å²	31.6	2%	0.02	15%	0.154	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-132.3	138.2	175	-60.5	168.8	-65.9	0	0	109.2	Y56 Y91 I118 Y158 L159 I160 I186 E221 F222	Y56-M166 HydrophobicContact CD1-CE 4.28Å; Y56-M166 HydrophobicContact CE1-CE 3.54Å; Y91-M166 HydrophobicContact CD2-CE 4Å; Y91-M166 HydrophobicContact CD2-SD 3.82Å; Y91-M166 HydrophobicContact CE2-CE 3.78Å; Y91-M166 HydrophobicContact CE2-SD 3.79Å; I118-M166 HydrophobicContact CD1-SD 4Å; Y158-M166 HydrophobicContact CE1-CB 3.82Å; Y158-M166 HydrophobicContact CE1-CG 4.18Å; Y158-M166 HydrophobicContact CE1-SD 4.36Å; Y158-M166 WeakPolarHBondContact OH-CB 3.37Å; L159-M166 CarbonylContact O-C 3.54Å; L159-M166 WeakPolarHBondContact O-CA 3.44Å; I160-M166 HydrophobicContact CG1-CG 4.35Å; I160-M166 HydrophobicContact CG2-CG 4.46Å; M166-I186 HydrophobicContact CE-CD1 3.65Å; M166-E221 CarbonylContact O-C 3.55Å; M166-E221 WeakPolarHBondContact O-CA 3.43Å; M166-F222 HydrophobicContact CB-CB 4.49Å; M166-F222 HydrophobicContact CE-CB 4.07Å; M166-F222 PolarHBondContact N-O 3.34Å; M166-F222 PolarHBondContact O-N 3.08Å
167	S	96.6	Very high	90.8	Very high	0 Å²	0	32 Å²	32	0%	0	16%	0.156	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-127.3	129.8	178.5	-54	0	0	0	0	110.6	Y158 L159 V220 E221	Y158-S167 CarbonylContact C-O 3.55Å; Y158-S167 WeakPolarHBondContact CA-O 3.32Å; L159-S167 PolarHBondContact N-O 2.69Å; L159-S167 PolarHBondContact O-N 2.83Å; S167-V220 CarbonylContact C-O 3.59Å; S167-V220 VanDerWaalsContact CA-O 3.23Å; S167-V220 WeakPolarHBondContact CA-O 3.43Å; S167-E221 PolarHBondContact OG-OE1 2.77Å
168	L	96.7	Very high	89.8	Confident	4 Å²	4	35.5 Å²	35.5	2%	0.021	18%	0.178	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-110.2	115	173.3	168.3	50.7	0	0	0	108.4	I120 V156 Y158 Y170 V220	I120-L168 HydrophobicContact CD1-CD1 4.21Å; I120-L168 HydrophobicContact CD1-CD2 4.17Å; I120-L168 HydrophobicContact CG2-CD1 3.98Å; I120-L168 HydrophobicContact CG2-CD2 4.27Å; V156-L168 HydrophobicContact CB-CD1 4.35Å; Y158-L168 HydrophobicContact CD2-CB 3.68Å; Y158-L168 HydrophobicContact CD2-CD1 4.14Å; Y158-L168 HydrophobicContact CD2-CD2 4.43Å; Y158-L168 HydrophobicContact CD2-CG 4.28Å; Y158-L168 HydrophobicContact CE2-CB 3.83Å; L168-Y170 HydrophobicContact CD1-CD1 4.45Å; L168-Y170 HydrophobicContact CD1-CE1 4.26Å; L168-Y170 HydrophobicContact CD2-CE1 3.94Å; L168-Y170 HydrophobicContact CD2-CE2 4.15Å; L168-Y170 WeakPolarHBondContact CD2-OH 3.45Å; L168-Y170 HydrophobicContact CG-CD2 4.47Å; L168-Y170 HydrophobicContact CG-CE1 4.13Å; L168-Y170 HydrophobicContact CG-CE2 3.99Å; L168-V220 HydrophobicContact CB-CB 4.32Å; L168-V220 PolarHBondContact N-O 2.92Å; L168-V220 PolarHBondContact O-N 2.8Å
169	Y	96.1	Very high	88.7	Confident	3 Å²	3	37.2 Å²	37.2	1%	0.012	20%	0.195	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-105.1	122.7	174.5	-178.5	-109.7	0	0	0	110.4	Q64 P66 P67 V156 V157 N171 D217 T218 L219	Q64-Y169 WeakPolarHBondContact O-CE2 3.49Å; Q64-Y169 PolarHBondContact O-OH 3.25Å; P66-Y169 HydrophobicContact CB-CD1 4.43Å; P66-Y169 HydrophobicContact CB-CE1 3.8Å; P66-Y169 WeakPolarHBondContact CD-OH 3.35Å; P66-Y169 HydrophobicContact CG-CE1 3.85Å; P66-Y169 WeakPolarHBondContact CG-OH 3.45Å; P67-Y169 HydrophobicContact CG-CG 4.37Å; V156-Y169 WeakPolarHBondContact CA-O 3.28Å; V157-Y169 PolarHBondContact N-O 2.89Å; V157-Y169 PolarHBondContact O-N 3.21Å; Y169-N171 HydrophobicContact CD1-CB 4.18Å; Y169-N171 HydrophobicContact CE1-CB 3.78Å; Y169-D217 PolarHBondContact OH-OD1 3.37Å; Y169-T218 WeakPolarHBondContact CA-O 3.39Å; Y169-L219 HydrophobicContact CD2-CB 4.24Å; Y169-L219 HydrophobicContact CD2-CD1 4.34Å
170	Y	94.2	Very high	87.6	Confident	0 Å²	0	44.4 Å²	44.4	0%	0	23%	0.229	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-93.9	101.9	171.6	-54.2	-85.2	0	0	0	108.3	F121 V156 L168 I173 S184 V209 I214 K215 D217 T218 V220	F121-Y170 HydrophobicContact CE1-CD1 4.35Å; F121-Y170 AromaticContact CE1-CE1 3.74Å; F121-Y170 HydrophobicContact CE1-CE1 3.74Å; F121-Y170 AromaticContact CZ-CD1 3.74Å; F121-Y170 HydrophobicContact CZ-CD1 3.74Å; F121-Y170 AromaticContact CZ-CE1 3.56Å; F121-Y170 HydrophobicContact CZ-CE1 3.56Å; V156-Y170 HydrophobicContact CG1-CD1 3.81Å; L168-Y170 HydrophobicContact CD1-CD1 4.45Å; L168-Y170 HydrophobicContact CD1-CE1 4.26Å; L168-Y170 HydrophobicContact CD2-CE1 3.94Å; L168-Y170 HydrophobicContact CD2-CE2 4.15Å; L168-Y170 WeakPolarHBondContact CD2-OH 3.45Å; L168-Y170 HydrophobicContact CG-CD2 4.47Å; L168-Y170 HydrophobicContact CG-CE1 4.13Å; L168-Y170 HydrophobicContact CG-CE2 3.99Å; Y170-I173 HydrophobicContact CD1-CD1 3.66Å; Y170-I173 HydrophobicContact CD1-CG1 4.3Å; Y170-I173 HydrophobicContact CE1-CD1 4.37Å; Y170-I173 HydrophobicContact CG-CD1 3.91Å; Y170-S184 WeakPolarHBondContact OH-CB 3.48Å; Y170-S184 PolarHBondContact OH-OG 2.8Å; Y170-V209 HydrophobicContact CE2-CG1 4.38Å; Y170-I214 HydrophobicContact CD1-CG2 4.36Å; Y170-I214 HydrophobicContact CE1-CG2 3.96Å; Y170-I214 HydrophobicContact CE2-CG1 4.44Å; Y170-K215 WeakPolarHBondContact CB-O 3.25Å; Y170-D217 PolarHBondContact O-N 3.34Å; Y170-T218 HydrophobicContact CD2-CG2 3.98Å; Y170-T218 HydrophobicContact CE2-CG2 4.31Å; Y170-T218 PolarHBondContact N-O 3.43Å; Y170-T218 PolarHBondContact O-N 2.88Å; Y170-V220 HydrophobicContact CE2-CG2 3.78Å
171	N	91.4	Very high	86.5	Confident	55 Å²	55	47 Å²	47	29%	0.294	24%	0.243	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-70.7	-63.9	178.3	-178	46.4	0	0	0	109.1	S155 Y169 F216 D217	S155-N171 WeakPolarHBondContact O-CB 3.47Å; S155-N171 PolarHBondContact O-N 2.61Å; S155-N171 VanDerWaalsContact O-N 3.08Å; S155-N171 PolarHBondContact OG-ND2 2.87Å; Y169-N171 HydrophobicContact CD1-CB 4.18Å; Y169-N171 HydrophobicContact CE1-CB 3.78Å; N171-F216 WeakPolarHBondContact O-CD2 3.27Å; N171-F216 WeakPolarHBondContact O-CE2 3.34Å; N171-D217 PolarHBondContact O-N 2.62Å
172	E	85.3	Confident	86	Confident	62 Å²	62	45.1 Å²	45.1	29%	0.29	24%	0.236	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-136.6	139.1	174.4	-172.8	171.6	175	0	0	110.2	G154 S155 F216	G154-E172 CarbonylContact C-O 3.55Å; G154-E172 WeakPolarHBondContact CA-O 3.45Å; S155-E172 PolarHBondContact N-O 2.65Å; S155-E172 PolarHBondContact O-N 3.2Å; E172-F216 HydrophobicContact CB-CD2 4.3Å; E172-F216 HydrophobicContact CG-CD2 4.46Å
173	I	83.4	Confident	85.8	Confident	20 Å²	20	45.3 Å²	45.3	10%	0.103	23%	0.233	C	C	.	.			trans	-124.7	115.5	176.8	-53.2	-177	0	0	0	107.5	F121 Y170 K175 I177 L182 I214	F121-I173 HydrophobicContact CZ-CD1 4.03Å; F121-I173 HydrophobicContact CZ-CG1 4.43Å; Y170-I173 HydrophobicContact CD1-CD1 3.66Å; Y170-I173 HydrophobicContact CD1-CG1 4.3Å; Y170-I173 HydrophobicContact CE1-CD1 4.37Å; Y170-I173 HydrophobicContact CG-CD1 3.91Å; I173-K175 PolarHBondContact O-N 2.91Å; I173-I177 HydrophobicContact CG2-CB 4.41Å; I173-I177 HydrophobicContact CG2-CD1 4.07Å; I173-L182 HydrophobicContact CG2-CD2 3.86Å; I173-I214 HydrophobicContact CD1-CG2 3.39Å
174	P	82.4	Confident	85.9	Confident	0 Å²	0	40.5 Å²	40.5	0%	0	21%	0.207	C	C	.	.			trans	-55.8	131.2	179	-29.7	35.7	0	0	0	112.5	V145 Y150 E152 E176 I177	V145-P174 HydrophobicContact CB-CG 4.48Å; V145-P174 HydrophobicContact CG1-CG 4Å; Y150-P174 HydrophobicContact CD1-CB 4.25Å; Y150-P174 HydrophobicContact CG-CB 4.23Å; Y150-P174 HydrophobicContact CG-CG 4.29Å; E152-P174 HydrophobicContact CB-CB 4.07Å; E152-P174 HydrophobicContact CB-CG 4.24Å; E152-P174 WeakPolarHBondContact O-CG 3.4Å; P174-E176 WeakPolarHBondContact CB-OE2 3.22Å; P174-E176 PolarHBondContact O-N 3.39Å; P174-I177 HydrophobicContact CB-CD1 4.14Å; P174-I177 HydrophobicContact CB-CG1 4.43Å; P174-I177 HydrophobicContact CG-CD1 4.19Å; P174-I177 PolarHBondContact O-N 3.06Å
175	K	79.6	Confident	86	Confident	149 Å²	149	41.1 Å²	41.1	65%	0.648	21%	0.209	S	C	*	.	T	Hydrogen-bonded Turn	trans	-60.5	-18	-173	-68.1	171.8	-165.2	73.2	0	114.3	E152 I173 I177 V178	E152-K175 IonicContact OE1-NZ 2.6Å; E152-K175 PolarHBondContact OE1-NZ 3.18Å; E152-K175 WeakPolarHBondContact OE2-CG 3.46Å; E152-K175 PolarHBondContact OE2-N 3.34Å; E152-K175 IonicContact OE2-NZ 2.8Å; E152-K175 PolarHBondContact OE2-NZ 3.1Å; I173-K175 PolarHBondContact O-N 2.91Å; K175-I177 PolarHBondContact O-N 3.13Å; K175-V178 WeakPolarHBondContact O-CG1 3.26Å
176	E	76.6	Confident	86.1	Confident	93 Å²	93	39.2 Å²	39.2	44%	0.435	20%	0.201	S	C	.	.	T	Hydrogen-bonded Turn	trans	-69.6	-21	175.3	-51.7	93.5	144.7	0	0	112.5	Y150 A151 P174 V178	Y150-E176 HydrophobicContact CD1-CB 4.46Å; A151-E176 WeakPolarHBondContact CB-OE1 3.28Å; A151-E176 PolarHBondContact N-OE1 2.82Å; A151-E176 VanDerWaalsContact N-OE1 3.1Å; P174-E176 WeakPolarHBondContact CB-OE2 3.22Å; P174-E176 PolarHBondContact O-N 3.39Å; E176-V178 PolarHBondContact O-N 2.96Å
177	I	75	Confident	86	Confident	9 Å²	9	39 Å²	39	5%	0.046	20%	0.2	C	C	.	.			trans	-85.1	96.8	178.7	-47.5	162.9	0	0	0	108.9	V124 Y150 I173 P174 K175 N181 L182	V124-I177 HydrophobicContact CG1-CD1 3.9Å; V124-I177 HydrophobicContact CG2-CD1 3.79Å; V124-I177 HydrophobicContact CG2-CG1 4.28Å; V124-I177 HydrophobicContact CG2-CG2 3.57Å; Y150-I177 HydrophobicContact CD1-CD1 4.1Å; Y150-I177 HydrophobicContact CD1-CG1 3.71Å; Y150-I177 HydrophobicContact CE1-CD1 3.92Å; Y150-I177 HydrophobicContact CE1-CG1 3.37Å; I173-I177 HydrophobicContact CG2-CB 4.41Å; I173-I177 HydrophobicContact CG2-CD1 4.07Å; P174-I177 HydrophobicContact CB-CD1 4.14Å; P174-I177 HydrophobicContact CB-CG1 4.43Å; P174-I177 HydrophobicContact CG-CD1 4.19Å; P174-I177 PolarHBondContact O-N 3.06Å; K175-I177 PolarHBondContact O-N 3.13Å; I177-N181 HydrophobicContact CG2-CB 3.99Å; I177-L182 HydrophobicContact CB-CD2 4.05Å; I177-L182 HydrophobicContact CG2-CD2 3.36Å; I177-L182 HydrophobicContact CG2-CG 3.84Å; I177-L182 WeakPolarHBondContact O-CD1 3.47Å
178	V	74.1	Confident	85.9	Confident	94 Å²	94	40.1 Å²	40.1	57%	0.57	20%	0.204	S	C	*	.			trans	-120.4	157.7	-176.7	-63.1	0	0	0	0	113.1	K175 E176 N181	K175-V178 WeakPolarHBondContact O-CG1 3.26Å; E176-V178 PolarHBondContact O-N 2.96Å; V178-N181 WeakPolarHBondContact O-CB 3.3Å; V178-N181 PolarHBondContact O-N 3.23Å; V178-N181 PolarHBondContact O-ND2 2.8Å
179	G	73.6	Confident	85.7	Confident	36 Å²	36	41.4 Å²	41.4	37%	0.371	21%	0.209	S	C	.	.	G	3₁₀ helix	trans	61.1	-141.5	168.8	0	0	0	0	0	113.5	N181 L182 I211	G179-N181 PolarHBondContact O-N 2.8Å; G179-L182 PolarHBondContact O-N 3.19Å; G179-I211 WeakPolarHBondContact O-CD1 3.17Å
180	E	71.6	Confident	85.4	Confident	150 Å²	150	41.8 Å²	41.8	70%	0.701	21%	0.211	S	C	*	.	G	3₁₀ helix	trans	-60.4	7.8	-178.5	-54.5	176.7	175.6	0	0	115.3	K123	K123-E180 PolarHBondContact NZ-O 2.82Å
181	N	74.1	Confident	85.1	Confident	59 Å²	59	45.9 Å²	45.9	32%	0.316	23%	0.228	S	C	.	.	G	3₁₀ helix	trans	-88.6	-25.6	169.2	-58.3	-30.3	0	0	0	112	K123 I177 V178 G179 E183	K123-N181 HydrophobicContact CB-CB 4.07Å; K123-N181 HydrophobicContact CD-CB 4.46Å; K123-N181 WeakPolarHBondContact CD-OD1 2.97Å; I177-N181 HydrophobicContact CG2-CB 3.99Å; V178-N181 WeakPolarHBondContact O-CB 3.3Å; V178-N181 PolarHBondContact O-N 3.23Å; V178-N181 PolarHBondContact O-ND2 2.8Å; G179-N181 PolarHBondContact O-N 2.8Å; N181-E183 PolarHBondContact O-N 3.28Å
182	L	84.2	Confident	84.8	Confident	16 Å²	16	43.4 Å²	43.4	8%	0.084	22%	0.215	C	C	.	.			trans	-88.2	68	175.4	-65.7	177.9	0	0	0	111.1	F121 I173 I177 G179 I211 I214	F121-L182 HydrophobicContact CD1-CD2 4.12Å; F121-L182 HydrophobicContact CE1-CD2 3.65Å; F121-L182 HydrophobicContact CZ-CD2 4.15Å; I173-L182 HydrophobicContact CG2-CD2 3.86Å; I177-L182 HydrophobicContact CB-CD2 4.05Å; I177-L182 HydrophobicContact CG2-CD2 3.36Å; I177-L182 HydrophobicContact CG2-CG 3.84Å; I177-L182 WeakPolarHBondContact O-CD1 3.47Å; G179-L182 PolarHBondContact O-N 3.19Å; L182-I211 HydrophobicContact CB-CD1 4.43Å; L182-I211 HydrophobicContact CB-CG1 4.17Å; L182-I214 HydrophobicContact CB-CD1 4.2Å; L182-I214 HydrophobicContact CB-CG2 4.08Å; L182-I214 HydrophobicContact CD1-CB 4.37Å; L182-I214 HydrophobicContact CD1-CG2 4Å; L182-I214 HydrophobicContact CD2-CG2 3.84Å; L182-I214 HydrophobicContact CG-CG2 4.19Å; L182-I214 WeakPolarHBondContact O-CD1 3.39Å
183	E	89.4	Confident	84.9	Confident	55 Å²	55	42.3 Å²	42.3	26%	0.257	21%	0.211	S	C	.	.			trans	-108.7	99.7	172.8	-75.2	-167	-134.6	0	0	111.5	F121 Q122 N181 H208	F121-E183 WeakPolarHBondContact CA-O 3.49Å; Q122-E183 HydrophobicContact CB-CB 4.42Å; Q122-E183 HydrophobicContact CG-CB 4.1Å; Q122-E183 PolarHBondContact N-O 3.29Å; Q122-E183 PolarHBondContact NE2-OE2 2.71Å; N181-E183 PolarHBondContact O-N 3.28Å; E183-H208 IonicContact OE2-CE1 2.71Å
184	S	94.2	Very high	84.9	Confident	0 Å²	0	43.3 Å²	43.3	0%	0	22%	0.217	C	C	.	.			trans	-104.8	136.4	170.2	-44.5	0	0	0	0	110.5	S119 I120 Y170 H208 V209	S119-S184 CarbonylContact O-C 3.59Å; S119-S184 VanDerWaalsContact O-CA 3.32Å; S119-S184 WeakPolarHBondContact O-CA 3.28Å; I120-S184 WeakPolarHBondContact O-CA 3.36Å; I120-S184 WeakPolarHBondContact O-CB 3.5Å; I120-S184 PolarHBondContact O-OG 2.91Å; Y170-S184 WeakPolarHBondContact OH-CB 3.48Å; Y170-S184 PolarHBondContact OH-OG 2.8Å; S184-H208 WeakPolarHBondContact O-CA 3.04Å; S184-V209 PolarHBondContact O-N 2.86Å
185	W	95.6	Very high	85	Confident	13 Å²	13	53.2 Å²	53.2	5%	0.049	26%	0.26	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-160.9	161	179.9	52.6	-99.2	0	0	0	114.1	Q117 S119 D187 R206 I207	Q117-W185 HydrophobicContact CB-CH2 4.09Å; Q117-W185 HydrophobicContact CB-CZ3 3.9Å; Q117-W185 HydrophobicContact CG-CH2 3.77Å; Q117-W185 HydrophobicContact CG-CZ3 3.94Å; Q117-W185 WeakPolarHBondContact O-CZ3 3.46Å; S119-W185 VanDerWaalsContact CB-CE2 3.41Å; S119-W185 PolarHBondContact N-O 2.81Å; S119-W185 PolarHBondContact O-N 3.34Å; W185-D187 HydrophobicContact CE3-CB 4.34Å; W185-D187 HydrophobicContact CZ3-CB 4.38Å; W185-D187 WeakPolarHBondContact CZ3-OD1 3.32Å; W185-D187 WeakPolarHBondContact CZ3-OD2 3.46Å; W185-R206 HydrophobicContact CB-CG 3.75Å; W185-R206 HydrophobicContact CD2-CG 4.12Å; W185-R206 HydrophobicContact CE3-CG 4.14Å; W185-R206 HydrophobicContact CG-CG 3.99Å; W185-I207 CarbonylContact C-O 3.59Å; W185-I207 WeakPolarHBondContact CA-O 3.49Å; W185-I207 VanDerWaalsContact CB-O 3.28Å; W185-I207 WeakPolarHBondContact CB-O 3.42Å
186	I	97.1	Very high	85.3	Confident	1 Å²	1	52.7 Å²	52.7	1%	0.005	26%	0.26	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-121.3	143.4	165.4	70.4	168.9	0	0	0	110	Y56 Y92 I118 M166 R206 I207 F222	Y56-I186 HydrophobicContact CD2-CD1 4.47Å; Y56-I186 HydrophobicContact CG-CD1 4.44Å; Y92-I186 HydrophobicContact CE2-CD1 4.27Å; I118-I186 HydrophobicContact CB-CG2 4.35Å; I118-I186 HydrophobicContact CG1-CB 4.4Å; I118-I186 HydrophobicContact CG1-CG2 3.83Å; I118-I186 HydrophobicContact CG2-CG2 4.15Å; M166-I186 HydrophobicContact CE-CD1 3.65Å; I186-R206 WeakPolarHBondContact O-CA 3.27Å; I186-I207 HydrophobicContact CD1-CD1 4.21Å; I186-I207 HydrophobicContact CG1-CB 3.93Å; I186-I207 HydrophobicContact CG1-CD1 4.22Å; I186-I207 HydrophobicContact CG1-CG1 4.34Å; I186-I207 PolarHBondContact N-O 2.62Å; I186-I207 PolarHBondContact O-N 2.84Å; I186-F222 HydrophobicContact CD1-CB 3.94Å; I186-F222 HydrophobicContact CD1-CD1 3.5Å; I186-F222 VanDerWaalsContact CD1-CD1 3.5Å; I186-F222 HydrophobicContact CD1-CD2 4.26Å; I186-F222 HydrophobicContact CD1-CE1 3.98Å; I186-F222 HydrophobicContact CD1-CG 3.65Å; I186-F222 HydrophobicContact CG1-CD1 3.98Å; I186-F222 HydrophobicContact CG1-CE1 3.92Å; I186-F222 HydrophobicContact CG1-CG 4.44Å; I186-F222 HydrophobicContact CG1-CZ 4.36Å; I186-F222 HydrophobicContact CG2-CD2 4.36Å; I186-F222 HydrophobicContact CG2-CE2 4.05Å; I186-F222 HydrophobicContact CG2-CZ 4.11Å
187	D	95.4	Very high	85.6	Confident	0 Å²	0	52.9 Å²	52.9	0%	0	26%	0.264	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-147	156.1	170	62.4	31.1	0	0	0	114.1	Y91 G116 Q117 W185 R189 P203 R206	Y91-D187 WeakPolarHBondContact CE1-O 3.42Å; Y91-D187 VanDerWaalsContact OH-C 3.3Å; Y91-D187 PolarHBondContact OH-N 3.36Å; Y91-D187 PolarHBondContact OH-O 3.1Å; G116-D187 VanDerWaalsContact CA-O 3.27Å; G116-D187 WeakPolarHBondContact CA-O 3.14Å; Q117-D187 PolarHBondContact N-O 2.94Å; Q117-D187 PolarHBondContact O-N 3.45Å; W185-D187 HydrophobicContact CE3-CB 4.34Å; W185-D187 HydrophobicContact CZ3-CB 4.38Å; W185-D187 WeakPolarHBondContact CZ3-OD1 3.32Å; W185-D187 WeakPolarHBondContact CZ3-OD2 3.46Å; D187-R189 VanDerWaalsContact CG-NE 3.27Å; D187-R189 IonicContact OD1-CZ 3.97Å; D187-R189 IonicContact OD1-NE 3.96Å; D187-R189 PolarHBondContact OD1-NE 3.11Å; D187-R189 IonicContact OD1-NH2 3.94Å; D187-R189 PolarHBondContact OD1-NH2 3.23Å; D187-R189 IonicContact OD2-CZ 2.65Å; D187-R189 VanDerWaalsContact OD2-CZ 3.28Å; D187-R189 IonicContact OD2-NE 2.74Å; D187-R189 PolarHBondContact OD2-NE 2.8Å; D187-R189 IonicContact OD2-NH2 3.65Å; D187-R189 PolarHBondContact OD2-NH2 3.48Å; D187-P203 HydrophobicContact CB-CB 4.23Å; D187-P203 WeakPolarHBondContact OD2-CB 3.15Å; D187-R206 HydrophobicContact CB-CB 3.88Å; D187-R206 HydrophobicContact CB-CG 4.09Å; D187-R206 IonicContact OD2-CZ 3.44Å; D187-R206 VanDerWaalsContact OD2-CZ 3.24Å; D187-R206 IonicContact OD2-NE 2.7Å; D187-R206 PolarHBondContact OD2-NE 2.89Å; D187-R206 IonicContact OD2-NH2 3.69Å; D187-R206 PolarHBondContact OD2-NH2 2.85Å
188	Y	94.5	Very high	86.3	Confident	23 Å²	23	56.8 Å²	56.8	9%	0.09	29%	0.285	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-88.6	151.9	163.4	-175.7	-93.9	0	0	0	110	Y92 Q94 I115 Y190 P203 Y204 T263	Y92-Y188 HydrophobicContact CD1-CG 4.32Å; Y92-Y188 HydrophobicContact CG-CD2 4.11Å; Y92-Y188 HydrophobicContact CG-CG 4.26Å; Q94-Y188 HydrophobicContact CB-CE2 4.37Å; Q94-Y188 HydrophobicContact CG-CE2 3.61Å; I115-Y188 HydrophobicContact CB-CD2 4.45Å; I115-Y188 HydrophobicContact CB-CE2 3.83Å; I115-Y188 HydrophobicContact CG2-CE2 4.33Å; I115-Y188 CarbonylContact O-C 3.52Å; I115-Y188 WeakPolarHBondContact O-CA 3.48Å; I115-Y188 WeakPolarHBondContact O-CD2 3.38Å; I115-Y188 VanDerWaalsContact O-CE2 3.3Å; I115-Y188 WeakPolarHBondContact O-CE2 3.4Å; Y188-Y190 AromaticContact CD1-CD2 3.61Å; Y188-Y190 HydrophobicContact CD1-CD2 3.61Å; Y188-Y190 AromaticContact CD1-CE2 3.42Å; Y188-Y190 HydrophobicContact CD1-CE2 3.42Å; Y188-Y190 VanDerWaalsContact CD1-CE2 3.42Å; Y188-Y190 HydrophobicContact CD1-CG 4.4Å; Y188-Y190 HydrophobicContact CE1-CD1 4.25Å; Y188-Y190 AromaticContact CE1-CD2 3.74Å; Y188-Y190 HydrophobicContact CE1-CD2 3.74Å; Y188-Y190 HydrophobicContact CE1-CE1 4.04Å; Y188-Y190 AromaticContact CE1-CE2 3.55Å; Y188-Y190 HydrophobicContact CE1-CE2 3.55Å; Y188-Y190 HydrophobicContact CE1-CG 4.13Å; Y188-Y190 AromaticContact CE1-CZ 3.72Å; Y188-P203 CarbonylContact O-C 3.59Å; Y188-P203 WeakPolarHBondContact O-CA 3.33Å; Y188-Y204 PolarHBondContact O-N 2.85Å; Y188-T263 HydrophobicContact CD1-CG2 4.19Å; Y188-T263 HydrophobicContact CD2-CG2 4.14Å; Y188-T263 HydrophobicContact CE1-CG2 4.27Å; Y188-T263 HydrophobicContact CE2-CG2 4.21Å; Y188-T263 HydrophobicContact CG-CG2 4.12Å
189	R	92.4	Very high	87	Confident	31 Å²	31	56 Å²	56	12%	0.117	28%	0.28	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-122.8	115.1	-173.1	-69.5	-70.2	171.8	142.1	12.1	112.2	F114 I115 D187 F201	F114-R189 HydrophobicContact CD1-CB 4.12Å; F114-R189 HydrophobicContact CD1-CG 4.41Å; F114-R189 HydrophobicContact CE1-CB 3.86Å; F114-R189 HydrophobicContact CE1-CG 3.66Å; F114-R189 HydrophobicContact CZ-CG 3.98Å; I115-R189 PolarHBondContact O-N 2.86Å; D187-R189 VanDerWaalsContact CG-NE 3.27Å; D187-R189 IonicContact OD1-CZ 3.97Å; D187-R189 IonicContact OD1-NE 3.96Å; D187-R189 PolarHBondContact OD1-NE 3.11Å; D187-R189 IonicContact OD1-NH2 3.94Å; D187-R189 PolarHBondContact OD1-NH2 3.23Å; D187-R189 IonicContact OD2-CZ 2.65Å; D187-R189 VanDerWaalsContact OD2-CZ 3.28Å; D187-R189 IonicContact OD2-NE 2.74Å; D187-R189 PolarHBondContact OD2-NE 2.8Å; D187-R189 IonicContact OD2-NH2 3.65Å; D187-R189 PolarHBondContact OD2-NH2 3.48Å; R189-F201 HydrophobicContact CB-CB 4.33Å; R189-F201 HydrophobicContact CB-CD1 4.33Å; R189-F201 PolarHBondContact NH1-O 3.23Å; R189-F201 VanDerWaalsContact NH1-O 3.15Å
190	Y	88.7	Confident	87.7	Confident	12 Å²	12	56.3 Å²	56.3	5%	0.047	28%	0.275	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-87.9	124	173.1	-81	-88.8	0	0	0	111.3	T29 I33 Y188 C192 F201 E202 Y204 D262 T263	T29-Y190 HydrophobicContact CG2-CD1 4.44Å; T29-Y190 HydrophobicContact CG2-CE1 4.37Å; I33-Y190 HydrophobicContact CD1-CD1 3.93Å; I33-Y190 HydrophobicContact CD1-CD2 4.08Å; I33-Y190 HydrophobicContact CD1-CE1 3.56Å; I33-Y190 HydrophobicContact CD1-CE2 3.69Å; I33-Y190 HydrophobicContact CD1-CG 4.14Å; I33-Y190 HydrophobicContact CG2-CD2 3.55Å; I33-Y190 HydrophobicContact CG2-CE2 3.66Å; I33-Y190 HydrophobicContact CG2-CG 4.2Å; Y188-Y190 AromaticContact CD1-CD2 3.61Å; Y188-Y190 HydrophobicContact CD1-CD2 3.61Å; Y188-Y190 AromaticContact CD1-CE2 3.42Å; Y188-Y190 HydrophobicContact CD1-CE2 3.42Å; Y188-Y190 VanDerWaalsContact CD1-CE2 3.42Å; Y188-Y190 HydrophobicContact CD1-CG 4.4Å; Y188-Y190 HydrophobicContact CE1-CD1 4.25Å; Y188-Y190 AromaticContact CE1-CD2 3.74Å; Y188-Y190 HydrophobicContact CE1-CD2 3.74Å; Y188-Y190 HydrophobicContact CE1-CE1 4.04Å; Y188-Y190 AromaticContact CE1-CE2 3.55Å; Y188-Y190 HydrophobicContact CE1-CE2 3.55Å; Y188-Y190 HydrophobicContact CE1-CG 4.13Å; Y188-Y190 AromaticContact CE1-CZ 3.72Å; Y190-C192 PolarHBondContact O-N 3.06Å; Y190-C192 VanDerWaalsContact O-N 3.17Å; Y190-C192 PolarHBondContact O-SG 3.35Å; Y190-C192 VanDerWaalsContact O-SG 3.38Å; Y190-F201 WeakPolarHBondContact O-CA 3.41Å; Y190-E202 PolarHBondContact N-O 2.89Å; Y190-E202 PolarHBondContact O-N 3.11Å; Y190-Y204 HydrophobicContact CD2-CG 4.32Å; Y190-Y204 HydrophobicContact CE2-CD1 4.11Å; Y190-Y204 HydrophobicContact CE2-CD2 4.3Å; Y190-Y204 AromaticContact CE2-CG 3.75Å; Y190-Y204 HydrophobicContact CE2-CG 3.75Å; Y190-D262 PolarHBondContact OH-O 3.43Å; Y190-T263 WeakPolarHBondContact OH-CA 3.41Å
191	K	87.9	Confident	88.7	Confident	86 Å²	86	52.3 Å²	52.3	37%	0.374	26%	0.255	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-68.2	107.4	169.1	-166.3	174.6	-170.7	169.8	0	109.5	D113 T199 F201	D113-K191 IonicContact OD1-NZ 2.62Å; D113-K191 PolarHBondContact OD1-NZ 3.21Å; D113-K191 IonicContact OD2-NZ 2.61Å; D113-K191 PolarHBondContact OD2-NZ 3.01Å; K191-T199 HydrophobicContact CD-CG2 4.48Å; K191-T199 HydrophobicContact CG-CG2 3.75Å; K191-F201 HydrophobicContact CB-CD1 4.15Å; K191-F201 HydrophobicContact CB-CE1 3.69Å; K191-F201 HydrophobicContact CB-CZ 4.43Å; K191-F201 HydrophobicContact CD-CE1 4.29Å; K191-F201 HydrophobicContact CD-CZ 4.35Å; K191-F201 HydrophobicContact CG-CE1 3.81Å; K191-F201 HydrophobicContact CG-CZ 4.04Å
192	C	86.8	Confident	89.4	Confident	3 Å²	3	51.6 Å²	51.6	2%	0.02	25%	0.25	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-121	173.2	-174.3	-69	0	0	0	0	110.8	C30 Y190 T199 V200 E202	C30-C192 HydrophobicContact CB-CB 3.8Å; C30-C192 WeakPolarHBondContact CB-SG 2.97Å; C30-C192 WeakPolarHBondContact SG-CA 3.41Å; C30-C192 WeakPolarHBondContact SG-CB 3.14Å; C30-C192 CovalentContact SG-SG 2.02Å; C30-C192 PolarHBondContact SG-SG 3.22Å; Y190-C192 PolarHBondContact O-N 3.06Å; Y190-C192 VanDerWaalsContact O-N 3.17Å; Y190-C192 PolarHBondContact O-SG 3.35Å; Y190-C192 VanDerWaalsContact O-SG 3.38Å; C192-T199 WeakPolarHBondContact O-CA 3.28Å; C192-V200 CarbonylContact C-O 3.58Å; C192-V200 WeakPolarHBondContact CA-O 2.96Å; C192-V200 HydrophobicContact CB-CG2 3.88Å; C192-V200 PolarHBondContact N-O 3.05Å; C192-V200 PolarHBondContact O-N 2.9Å; C192-E202 HydrophobicContact CB-CG 3.91Å
193	L	85.8	Confident	89.8	Confident	38 Å²	38	52.8 Å²	52.8	20%	0.199	26%	0.258	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-126.4	127.4	177.7	-68.1	167.2	0	0	0	108.9	F23 Q27 N198	F23-L193 HydrophobicContact CD2-CD1 3.56Å; F23-L193 HydrophobicContact CE2-CB 4.4Å; F23-L193 HydrophobicContact CE2-CD1 3.55Å; Q27-L193 PolarHBondContact NE2-O 3.06Å; Q27-L193 PolarHBondContact OE1-O 3.42Å; Q27-L193 VanDerWaalsContact OE1-O 3.11Å; L193-N198 CarbonylContact C-O 3.58Å; L193-N198 VanDerWaalsContact CA-O 3.28Å; L193-N198 WeakPolarHBondContact CA-O 3.34Å
194	D	84.8	Confident	89.8	Confident	42 Å²	42	50.1 Å²	50.1	23%	0.225	25%	0.246	C	C	.	.			trans	-74.3	-177.4	179.2	72.5	10	0	0	0	112.5	Q196 N197 N198 V200	D194-Q196 PolarHBondContact O-N 3.44Å; D194-Q196 VanDerWaalsContact OD1-CA 3.22Å; D194-Q196 WeakPolarHBondContact OD1-CA 3.13Å; D194-Q196 WeakPolarHBondContact OD1-CB 3.17Å; D194-Q196 PolarHBondContact OD1-N 2.02Å; D194-N197 PolarHBondContact O-N 3.08Å; D194-N197 PolarHBondContact OD1-N 3.4Å; D194-N198 PolarHBondContact N-O 3.39Å; D194-N198 PolarHBondContact OD1-N 2.03Å; D194-N198 PolarHBondContact OD1-ND2 3.2Å; D194-N198 WeakPolarHBondContact OD2-CB 3.18Å; D194-N198 PolarHBondContact OD2-ND2 3.49Å; D194-V200 HydrophobicContact CB-CG1 3.94Å; D194-V200 HydrophobicContact CB-CG2 4.29Å
195	K	83.2	Confident	89.6	Confident	207 Å²	207	50.3 Å²	50.3	90%	0.9	25%	0.247	S	C	*	.	T	Hydrogen-bonded Turn	trans	-65.1	-16.4	178	-64.8	-178.5	-179.5	177.8	0	113.3
196	Q	87	Confident	89.5	Confident	139 Å²	139	53 Å²	53	65%	0.65	26%	0.257	S	S	*	.	T	Hydrogen-bonded Turn	trans	-100.6	5	178.4	-68.7	76	14.4	0	0	111.7	D194 N198	D194-Q196 PolarHBondContact O-N 3.44Å; D194-Q196 VanDerWaalsContact OD1-CA 3.22Å; D194-Q196 WeakPolarHBondContact OD1-CA 3.13Å; D194-Q196 WeakPolarHBondContact OD1-CB 3.17Å; D194-Q196 PolarHBondContact OD1-N 2.02Å; Q196-N198 VanDerWaalsContact C-N 3.29Å; Q196-N198 WeakPolarHBondContact CB-ND2 3.44Å; Q196-N198 PolarHBondContact O-N 2.89Å
197	N	83.5	Confident	89.4	Confident	97 Å²	97	53 Å²	53	52%	0.519	26%	0.257	S	S	.	.	S	Bend	trans	65.6	22.1	-177.4	-165	45.1	0	0	0	114.7	F23 D194	F23-N197 VanDerWaalsContact CE2-OD1 3.29Å; F23-N197 WeakPolarHBondContact CE2-OD1 3.31Å; D194-N197 PolarHBondContact O-N 3.08Å; D194-N197 PolarHBondContact OD1-N 3.4Å
198	N	88	Confident	89.4	Confident	91 Å²	91	56.3 Å²	56.3	49%	0.487	27%	0.273	S	S	.	.			trans	-81	148.1	169.8	-50.6	-61.4	0	0	0	110.4	L193 D194 Q196 V200	L193-N198 CarbonylContact C-O 3.58Å; L193-N198 VanDerWaalsContact CA-O 3.28Å; L193-N198 WeakPolarHBondContact CA-O 3.34Å; D194-N198 PolarHBondContact N-O 3.39Å; D194-N198 PolarHBondContact OD1-N 2.03Å; D194-N198 PolarHBondContact OD1-ND2 3.2Å; D194-N198 WeakPolarHBondContact OD2-CB 3.18Å; D194-N198 PolarHBondContact OD2-ND2 3.49Å; Q196-N198 VanDerWaalsContact C-N 3.29Å; Q196-N198 WeakPolarHBondContact CB-ND2 3.44Å; Q196-N198 PolarHBondContact O-N 2.89Å; N198-V200 PolarHBondContact O-N 2.84Å
199	T	88.6	Confident	89.5	Confident	78 Å²	78	55.6 Å²	55.6	48%	0.479	27%	0.27	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-70.9	124.1	172.2	-61.5	0	0	0	0	110.6	K191 C192 F201	K191-T199 HydrophobicContact CD-CG2 4.48Å; K191-T199 HydrophobicContact CG-CG2 3.75Å; C192-T199 WeakPolarHBondContact O-CA 3.28Å; T199-F201 HydrophobicContact CG2-CE2 3.99Å; T199-F201 HydrophobicContact CG2-CZ 4.21Å
200	V	90.2	Very high	89.5	Confident	41 Å²	41	55 Å²	55	25%	0.248	27%	0.27	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-126	152.3	174.7	-63.5	0	0	0	0	110	C192 D194 N198 E202	C192-V200 CarbonylContact C-O 3.58Å; C192-V200 WeakPolarHBondContact CA-O 2.96Å; C192-V200 HydrophobicContact CB-CG2 3.88Å; C192-V200 PolarHBondContact N-O 3.05Å; C192-V200 PolarHBondContact O-N 2.9Å; D194-V200 HydrophobicContact CB-CG1 3.94Å; D194-V200 HydrophobicContact CB-CG2 4.29Å; N198-V200 PolarHBondContact O-N 2.84Å; V200-E202 HydrophobicContact CG2-CG 4.49Å
201	F	90.7	Very high	89.6	Confident	67 Å²	67	58.2 Å²	58.2	29%	0.294	29%	0.288	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-114.3	91.9	-178.3	-72.7	-83	0	0	0	111	F114 R189 Y190 K191 T199	F114-F201 HydrophobicContact CB-CE1 3.99Å; F114-F201 HydrophobicContact CB-CZ 4.07Å; F114-F201 HydrophobicContact CD1-CB 4.2Å; F114-F201 AromaticContact CD1-CD1 3.59Å; F114-F201 HydrophobicContact CD1-CD1 3.59Å; F114-F201 HydrophobicContact CD1-CD2 4.03Å; F114-F201 AromaticContact CD1-CE1 3.82Å; F114-F201 HydrophobicContact CD1-CE1 3.82Å; F114-F201 HydrophobicContact CD1-CE2 4.26Å; F114-F201 AromaticContact CD1-CG 3.68Å; F114-F201 HydrophobicContact CD1-CG 3.68Å; F114-F201 HydrophobicContact CD1-CZ 4.15Å; F114-F201 HydrophobicContact CE1-CB 4.1Å; F114-F201 HydrophobicContact CE1-CD1 4.31Å; F114-F201 HydrophobicContact CE1-CG 4.08Å; F114-F201 HydrophobicContact CG-CE1 4.42Å; R189-F201 HydrophobicContact CB-CB 4.33Å; R189-F201 HydrophobicContact CB-CD1 4.33Å; R189-F201 PolarHBondContact NH1-O 3.23Å; R189-F201 VanDerWaalsContact NH1-O 3.15Å; Y190-F201 WeakPolarHBondContact O-CA 3.41Å; K191-F201 HydrophobicContact CB-CD1 4.15Å; K191-F201 HydrophobicContact CB-CE1 3.69Å; K191-F201 HydrophobicContact CB-CZ 4.43Å; K191-F201 HydrophobicContact CD-CE1 4.29Å; K191-F201 HydrophobicContact CD-CZ 4.35Å; K191-F201 HydrophobicContact CG-CE1 3.81Å; K191-F201 HydrophobicContact CG-CZ 4.04Å; T199-F201 HydrophobicContact CG2-CE2 3.99Å; T199-F201 HydrophobicContact CG2-CZ 4.21Å
202	E	90.2	Very high	89.8	Confident	43 Å²	43	58.8 Å²	58.8	20%	0.201	30%	0.295	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-74	132.9	-178.9	-63.4	-73.9	-179.2	0	0	109.8	K34 Y190 C192 V200	K34-E202 WeakPolarHBondContact CE-OE2 3.17Å; K34-E202 IonicContact NZ-OE1 2.64Å; K34-E202 PolarHBondContact NZ-OE1 3.42Å; K34-E202 IonicContact NZ-OE2 2.89Å; K34-E202 PolarHBondContact NZ-OE2 2.93Å; Y190-E202 PolarHBondContact N-O 2.89Å; Y190-E202 PolarHBondContact O-N 3.11Å; C192-E202 HydrophobicContact CB-CG 3.91Å; V200-E202 HydrophobicContact CG2-CG 4.49Å
203	P	91.7	Very high	90.1	Very high	41 Å²	41	58.8 Å²	58.8	27%	0.266	29%	0.294	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-71.1	141	175.8	31.9	-34.6	0	0	0	110.3	D187 Y188	D187-P203 HydrophobicContact CB-CB 4.23Å; D187-P203 WeakPolarHBondContact OD2-CB 3.15Å; Y188-P203 CarbonylContact O-C 3.59Å; Y188-P203 WeakPolarHBondContact O-CA 3.33Å
204	Y	90.9	Very high	90.3	Very high	0 Å²	0	57.4 Å²	57.4	0%	0	29%	0.287	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-110.9	127.9	169.5	171	-116.2	0	0	0	110	I33 V36 E55 Y92 Y188 Y190 R206 R261 D262	I33-Y204 HydrophobicContact CG2-CD2 3.52Å; I33-Y204 HydrophobicContact CG2-CE2 4.37Å; I33-Y204 HydrophobicContact CG2-CG 4.06Å; V36-Y204 HydrophobicContact CB-CD2 4Å; V36-Y204 HydrophobicContact CB-CE2 3.65Å; V36-Y204 HydrophobicContact CG1-CD2 4.28Å; V36-Y204 HydrophobicContact CG1-CE2 3.53Å; V36-Y204 HydrophobicContact CG2-CE2 4.11Å; E55-Y204 VanDerWaalsContact CD-CE1 3.45Å; E55-Y204 HydrophobicContact CG-CE1 4.23Å; E55-Y204 PolarHBondContact OE1-OH 3.17Å; E55-Y204 VanDerWaalsContact OE2-CE1 3.31Å; E55-Y204 WeakPolarHBondContact OE2-CE1 3.5Å; Y92-Y204 HydrophobicContact CD1-CD1 4.45Å; Y92-Y204 HydrophobicContact CE1-CD1 4.45Å; Y188-Y204 PolarHBondContact O-N 2.85Å; Y190-Y204 HydrophobicContact CD2-CG 4.32Å; Y190-Y204 HydrophobicContact CE2-CD1 4.11Å; Y190-Y204 HydrophobicContact CE2-CD2 4.3Å; Y190-Y204 AromaticContact CE2-CG 3.75Å; Y190-Y204 HydrophobicContact CE2-CG 3.75Å; Y204-R206 VanDerWaalsContact C-N 3.33Å; Y204-R206 PolarHBondContact O-N 3.01Å; Y204-R261 WeakPolarHBondContact CE2-O 3.36Å; Y204-R261 VanDerWaalsContact CZ-O 3.3Å; Y204-R261 PolarHBondContact OH-O 3.01Å; Y204-D262 WeakPolarHBondContact OH-CA 3.1Å
205	N	88.3	Confident	90.5	Very high	4 Å²	4	59.1 Å²	59.1	2%	0.021	29%	0.293	C	S	.	.	E	Extended strand (participates in β ladder)	trans	43.4	56	171.1	-159.8	28.8	0	0	0	113	V36 H38 H53 E55 I207	V36-N205 HydrophobicContact CG1-CB 4.49Å; V36-N205 WeakPolarHBondContact O-CA 3.07Å; V36-N205 PolarHBondContact O-N 3.05Å; H38-N205 PolarHBondContact N-OD1 3.15Å; H38-N205 PolarHBondContact O-OD1 3.35Å; H53-N205 PolarHBondContact O-ND2 2.92Å; E55-N205 PolarHBondContact OE2-ND2 2.93Å; N205-I207 WeakPolarHBondContact O-CG1 3.4Å; N205-I207 PolarHBondContact O-N 2.89Å
206	R	93.9	Very high	90.8	Very high	69 Å²	69	54.8 Å²	54.8	26%	0.26	27%	0.274	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-62.9	120	-177.3	177.8	-179.8	-71.6	173.7	4	110.3	W185 I186 D187 Y204 H208	W185-R206 HydrophobicContact CB-CG 3.75Å; W185-R206 HydrophobicContact CD2-CG 4.12Å; W185-R206 HydrophobicContact CE3-CG 4.14Å; W185-R206 HydrophobicContact CG-CG 3.99Å; I186-R206 WeakPolarHBondContact O-CA 3.27Å; D187-R206 HydrophobicContact CB-CB 3.88Å; D187-R206 HydrophobicContact CB-CG 4.09Å; D187-R206 IonicContact OD2-CZ 3.44Å; D187-R206 VanDerWaalsContact OD2-CZ 3.24Å; D187-R206 IonicContact OD2-NE 2.7Å; D187-R206 PolarHBondContact OD2-NE 2.89Å; D187-R206 IonicContact OD2-NH2 3.69Å; D187-R206 PolarHBondContact OD2-NH2 2.85Å; Y204-R206 VanDerWaalsContact C-N 3.33Å; Y204-R206 PolarHBondContact O-N 3.01Å; R206-H208 WeakPolarHBondContact CD-NE2 3.09Å
207	I	95.8	Very high	91.2	Very high	0 Å²	0	49.9 Å²	49.9	0%	0	25%	0.253	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-93.2	110.3	179.4	-50.2	177.7	0	0	0	107.6	H53 Y56 Q58 W185 I186 N205 F222	H53-I207 HydrophobicContact CB-CD1 3.53Å; H53-I207 HydrophobicContact CB-CG1 3.71Å; H53-I207 HydrophobicContact CB-CG2 4.45Å; Y56-I207 HydrophobicContact CD2-CD1 4.45Å; Y56-I207 HydrophobicContact CG-CD1 4.4Å; Q58-I207 HydrophobicContact CB-CG2 4.47Å; W185-I207 CarbonylContact C-O 3.59Å; W185-I207 WeakPolarHBondContact CA-O 3.49Å; W185-I207 VanDerWaalsContact CB-O 3.28Å; W185-I207 WeakPolarHBondContact CB-O 3.42Å; I186-I207 HydrophobicContact CD1-CD1 4.21Å; I186-I207 HydrophobicContact CG1-CB 3.93Å; I186-I207 HydrophobicContact CG1-CD1 4.22Å; I186-I207 HydrophobicContact CG1-CG1 4.34Å; I186-I207 PolarHBondContact N-O 2.62Å; I186-I207 PolarHBondContact O-N 2.84Å; N205-I207 WeakPolarHBondContact O-CG1 3.4Å; N205-I207 PolarHBondContact O-N 2.89Å; I207-F222 HydrophobicContact CB-CE1 4.2Å; I207-F222 HydrophobicContact CG2-CD1 4.15Å; I207-F222 HydrophobicContact CG2-CE1 3.65Å
208	H	95.2	Very high	91.7	Very high	71 Å²	71	45.3 Å²	45.3	33%	0.329	23%	0.228	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-86.7	148.2	174.8	-74	-103.3	0	0	0	110.8	Q58 E183 S184 R206	Q58-H208 PolarHBondContact NE2-O 3.04Å; E183-H208 IonicContact OE2-CE1 2.71Å; S184-H208 WeakPolarHBondContact O-CA 3.04Å; R206-H208 WeakPolarHBondContact CD-NE2 3.09Å
209	V	95.5	Very high	92.2	Very high	7 Å²	7	41.7 Å²	41.7	4%	0.042	21%	0.209	C	C	.	.	P	Polyproline II helix	trans	-77.9	127.5	159.4	-174.4	0	0	0	0	107.5	Y170 S184 I211 I214 V220 F222	Y170-V209 HydrophobicContact CE2-CG1 4.38Å; S184-V209 PolarHBondContact O-N 2.86Å; V209-I211 PolarHBondContact O-N 2.98Å; V209-I214 HydrophobicContact CB-CD1 4.05Å; V209-I214 HydrophobicContact CB-CG1 4.13Å; V209-I214 HydrophobicContact CG1-CD1 4.11Å; V209-I214 HydrophobicContact CG1-CG1 3.61Å; V209-V220 HydrophobicContact CB-CG2 4.49Å; V209-V220 HydrophobicContact CG1-CG2 3.59Å; V209-V220 HydrophobicContact CG2-CG1 4.02Å; V209-V220 HydrophobicContact CG2-CG2 4.05Å; V209-F222 HydrophobicContact CG2-CZ 4.06Å
210	P	93.4	Very high	92.6	Very high	18 Å²	18	38 Å²	38	12%	0.117	19%	0.186	C	C	.	.	P	Polyproline II helix	trans	-67.4	127.5	178.9	-15.6	28.3	0	0	0	110.6	R49 N212 F213	R49-P210 VanDerWaalsContact CZ-CG 3.43Å; P210-N212 WeakPolarHBondContact CB-OD1 3.37Å; P210-N212 PolarHBondContact O-N 2.95Å; P210-F213 HydrophobicContact CB-CD2 4.13Å; P210-F213 HydrophobicContact CG-CD2 4.44Å; P210-F213 PolarHBondContact O-N 2.78Å
211	I	91.1	Very high	93	Very high	81 Å²	81	37.6 Å²	37.6	42%	0.415	18%	0.181	S	C	.	.	G	3₁₀ helix	trans	-52.1	-35.4	-171.8	-173.4	174.3	0	0	0	114.4	G179 L182 V209 F213 I214	G179-I211 WeakPolarHBondContact O-CD1 3.17Å; L182-I211 HydrophobicContact CB-CD1 4.43Å; L182-I211 HydrophobicContact CB-CG1 4.17Å; V209-I211 PolarHBondContact O-N 2.98Å; I211-F213 PolarHBondContact O-N 2.79Å; I211-I214 PolarHBondContact O-N 3.31Å
212	N	90.6	Very high	93.4	Very high	98 Å²	98	34.5 Å²	34.5	52%	0.524	17%	0.168	S	C	.	.	G	3₁₀ helix	trans	-66.3	-14.3	178.8	55.6	-48.6	0	0	0	114.3	P210	P210-N212 WeakPolarHBondContact CB-OD1 3.37Å; P210-N212 PolarHBondContact O-N 2.95Å
213	F	92.9	Very high	93.7	Very high	2 Å²	2	36.9 Å²	36.9	1%	0.009	18%	0.179	C	C	.	.	G	3₁₀ helix	trans	-100.9	-10.3	172.3	-69.7	-93.3	0	0	0	113.5	E44 N45 R49 V60 V62 P210 I211 K215 T218	E44-F213 HydrophobicContact CG-CZ 4.34Å; N45-F213 WeakPolarHBondContact O-CZ 3.29Å; R49-F213 HydrophobicContact CB-CE1 4.26Å; R49-F213 HydrophobicContact CB-CE2 4.01Å; R49-F213 HydrophobicContact CB-CZ 3.74Å; V60-F213 HydrophobicContact CB-CD1 4.21Å; V60-F213 HydrophobicContact CB-CG 4.42Å; V60-F213 HydrophobicContact CG1-CB 3.6Å; V60-F213 HydrophobicContact CG1-CD1 3.66Å; V60-F213 HydrophobicContact CG1-CG 3.79Å; V62-F213 HydrophobicContact CG2-CD1 3.67Å; V62-F213 HydrophobicContact CG2-CE1 4.2Å; P210-F213 HydrophobicContact CB-CD2 4.13Å; P210-F213 HydrophobicContact CG-CD2 4.44Å; P210-F213 PolarHBondContact O-N 2.78Å; I211-F213 PolarHBondContact O-N 2.79Å; F213-K215 WeakPolarHBondContact O-CG 3.21Å; F213-K215 PolarHBondContact O-N 2.97Å; F213-T218 VanDerWaalsContact O-CB 3.3Å; F213-T218 WeakPolarHBondContact O-CB 3.48Å; F213-T218 VanDerWaalsContact O-CG2 3.26Å; F213-T218 WeakPolarHBondContact O-CG2 3.47Å; F213-T218 PolarHBondContact O-OG1 2.88Å
214	I	91.3	Very high	93.9	Very high	10 Å²	10	36 Å²	36	5%	0.051	17%	0.173	C	C	.	.			trans	-77.6	88.8	178.4	-59.2	178.7	0	0	0	108.6	F121 Y170 I173 L182 V209 I211	F121-I214 HydrophobicContact CE1-CG2 3.82Å; F121-I214 HydrophobicContact CZ-CG2 4.3Å; Y170-I214 HydrophobicContact CD1-CG2 4.36Å; Y170-I214 HydrophobicContact CE1-CG2 3.96Å; Y170-I214 HydrophobicContact CE2-CG1 4.44Å; I173-I214 HydrophobicContact CD1-CG2 3.39Å; L182-I214 HydrophobicContact CB-CD1 4.2Å; L182-I214 HydrophobicContact CB-CG2 4.08Å; L182-I214 HydrophobicContact CD1-CB 4.37Å; L182-I214 HydrophobicContact CD1-CG2 4Å; L182-I214 HydrophobicContact CD2-CG2 3.84Å; L182-I214 HydrophobicContact CG-CG2 4.19Å; L182-I214 WeakPolarHBondContact O-CD1 3.39Å; V209-I214 HydrophobicContact CB-CD1 4.05Å; V209-I214 HydrophobicContact CB-CG1 4.13Å; V209-I214 HydrophobicContact CG1-CD1 4.11Å; V209-I214 HydrophobicContact CG1-CG1 3.61Å; I211-I214 PolarHBondContact O-N 3.31Å
215	K	88.9	Confident	94	Very high	78 Å²	78	36.1 Å²	36.1	34%	0.339	17%	0.174	S	C	.	.	S	Bend	trans	-152.9	174.6	-176.6	50.7	176.8	158.7	168.4	0	110.5	V62 Y170 F213 T218	V62-K215 HydrophobicContact CG1-CD 3.83Å; V62-K215 HydrophobicContact CG1-CG 4.17Å; Y170-K215 WeakPolarHBondContact CB-O 3.25Å; F213-K215 WeakPolarHBondContact O-CG 3.21Å; F213-K215 PolarHBondContact O-N 2.97Å; K215-T218 WeakPolarHBondContact CG-OG1 3.21Å; K215-T218 WeakPolarHBondContact O-CB 3.39Å; K215-T218 PolarHBondContact O-N 3.21Å; K215-T218 PolarHBondContact O-OG1 3.32Å
216	F	89.9	Confident	94.1	Very high	116 Å²	116	39.7 Å²	39.7	51%	0.509	20%	0.196	S	C	.	.	T	Hydrogen-bonded Turn	trans	-49.1	142.4	172.3	175.7	-91.3	0	0	0	112.5	N171 E172 T218	N171-F216 WeakPolarHBondContact O-CD2 3.27Å; N171-F216 WeakPolarHBondContact O-CE2 3.34Å; E172-F216 HydrophobicContact CB-CD2 4.3Å; E172-F216 HydrophobicContact CG-CD2 4.46Å; F216-T218 PolarHBondContact O-N 2.89Å
217	D	94.1	Very high	93.8	Very high	36 Å²	36	41 Å²	41	19%	0.193	21%	0.205	C	C	.	.	T	Hydrogen-bonded Turn	trans	51.5	29.3	-177.8	-76	-7.7	0	0	0	115.4	V62 E63 Q64 Y169 Y170 N171	V62-D217 CarbonylContact C-O 3.49Å; E63-D217 PolarHBondContact N-O 2.83Å; Q64-D217 PolarHBondContact N-O 3.34Å; Y169-D217 PolarHBondContact OH-OD1 3.37Å; Y170-D217 PolarHBondContact O-N 3.34Å; N171-D217 PolarHBondContact O-N 2.62Å
218	T	95.6	Very high	93.5	Very high	0 Å²	0	41 Å²	41	0%	0	21%	0.205	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-90	125.3	172.4	-68.5	0	0	0	0	111.4	V60 L61 Y169 Y170 F213 K215 F216 V220	V60-T218 HydrophobicContact CG1-CG2 3.66Å; L61-T218 CarbonylContact O-C 3.58Å; L61-T218 WeakPolarHBondContact O-CA 3.34Å; Y169-T218 WeakPolarHBondContact CA-O 3.39Å; Y170-T218 HydrophobicContact CD2-CG2 3.98Å; Y170-T218 HydrophobicContact CE2-CG2 4.31Å; Y170-T218 PolarHBondContact N-O 3.43Å; Y170-T218 PolarHBondContact O-N 2.88Å; F213-T218 VanDerWaalsContact O-CB 3.3Å; F213-T218 WeakPolarHBondContact O-CB 3.48Å; F213-T218 VanDerWaalsContact O-CG2 3.26Å; F213-T218 WeakPolarHBondContact O-CG2 3.47Å; F213-T218 PolarHBondContact O-OG1 2.88Å; K215-T218 WeakPolarHBondContact CG-OG1 3.21Å; K215-T218 WeakPolarHBondContact O-CB 3.39Å; K215-T218 PolarHBondContact O-N 3.21Å; K215-T218 PolarHBondContact O-OG1 3.32Å; F216-T218 PolarHBondContact O-N 2.89Å; T218-V220 HydrophobicContact CG2-CG2 4.06Å
219	L	97.4	Very high	93.4	Very high	16 Å²	16	37.6 Å²	37.6	8%	0.084	19%	0.189	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-99.3	121.3	163.7	-176.4	66.2	0	0	0	110.1	V60 L61 Q64 P67 Y169 E221	V60-L219 WeakPolarHBondContact CA-O 3.36Å; L61-L219 PolarHBondContact N-O 3.18Å; L61-L219 PolarHBondContact O-N 2.99Å; Q64-L219 HydrophobicContact CB-CB 4.04Å; Q64-L219 HydrophobicContact CG-CB 3.96Å; P67-L219 HydrophobicContact CG-CD1 4.25Å; Y169-L219 HydrophobicContact CD2-CB 4.24Å; Y169-L219 HydrophobicContact CD2-CD1 4.34Å; L219-E221 HydrophobicContact CD1-CG 4.44Å; L219-E221 HydrophobicContact CD2-CG 4.07Å; L219-E221 HydrophobicContact CG-CG 3.89Å
220	V	98	Very high	93.2	Very high	0 Å²	0	37.9 Å²	37.9	0%	0	19%	0.19	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-104.8	134	166.7	179.5	0	0	0	0	108.3	Q58 T59 V60 S167 L168 Y170 V209 T218 F222	Q58-V220 HydrophobicContact CG-CG1 4.24Å; T59-V220 CarbonylContact O-C 3.53Å; T59-V220 WeakPolarHBondContact O-CA 3.17Å; V60-V220 HydrophobicContact CG1-CG2 3.94Å; V60-V220 HydrophobicContact CG2-CG1 4.36Å; V60-V220 HydrophobicContact CG2-CG2 4.29Å; S167-V220 CarbonylContact C-O 3.59Å; S167-V220 VanDerWaalsContact CA-O 3.23Å; S167-V220 WeakPolarHBondContact CA-O 3.43Å; L168-V220 HydrophobicContact CB-CB 4.32Å; L168-V220 PolarHBondContact N-O 2.92Å; L168-V220 PolarHBondContact O-N 2.8Å; Y170-V220 HydrophobicContact CE2-CG2 3.78Å; V209-V220 HydrophobicContact CB-CG2 4.49Å; V209-V220 HydrophobicContact CG1-CG2 3.59Å; V209-V220 HydrophobicContact CG2-CG1 4.02Å; V209-V220 HydrophobicContact CG2-CG2 4.05Å; T218-V220 HydrophobicContact CG2-CG2 4.06Å; V220-F222 HydrophobicContact CG1-CD2 4.21Å; V220-F222 HydrophobicContact CG1-CE1 4.34Å; V220-F222 HydrophobicContact CG1-CE2 3.58Å; V220-F222 HydrophobicContact CG1-CZ 3.67Å
221	E	98.1	Very high	93	Very high	33 Å²	33	39.9 Å²	39.9	15%	0.154	20%	0.199	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-125.3	134.8	175.6	-49.2	-154.7	105.4	0	0	110.5	Q58 T59 K165 M166 S167 L219	Q58-E221 CarbonylContact C-O 3.51Å; Q58-E221 WeakPolarHBondContact CA-O 3.24Å; T59-E221 PolarHBondContact N-O 2.7Å; T59-E221 PolarHBondContact O-N 3.44Å; K165-E221 WeakPolarHBondContact CE-OE1 3.29Å; K165-E221 WeakPolarHBondContact CE-OE2 3.5Å; K165-E221 IonicContact NZ-OE1 3.28Å; K165-E221 PolarHBondContact NZ-OE1 2.79Å; K165-E221 IonicContact NZ-OE2 2.8Å; K165-E221 PolarHBondContact NZ-OE2 3.4Å; M166-E221 CarbonylContact O-C 3.55Å; M166-E221 WeakPolarHBondContact O-CA 3.43Å; S167-E221 PolarHBondContact OG-OE1 2.77Å; L219-E221 HydrophobicContact CD1-CG 4.44Å; L219-E221 HydrophobicContact CD2-CG 4.07Å; L219-E221 HydrophobicContact CG-CG 3.89Å
222	F	98.1	Very high	93.1	Very high	2 Å²	2	37.4 Å²	37.4	1%	0.009	19%	0.185	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-114	114.4	172.6	-56.1	-87.6	0	0	0	108	Y56 F57 Q58 K165 M166 I186 I207 V209 V220	Y56-F222 HydrophobicContact CD1-CB 3.84Å; Y56-F222 HydrophobicContact CE1-CB 4.42Å; F57-F222 WeakPolarHBondContact O-CA 3.28Å; Q58-F222 HydrophobicContact CB-CD1 4.39Å; Q58-F222 HydrophobicContact CG-CD1 4.33Å; Q58-F222 HydrophobicContact CG-CE1 4.12Å; K165-F222 CarbonylContact C-O 3.55Å; K165-F222 WeakPolarHBondContact CA-O 3.08Å; M166-F222 HydrophobicContact CB-CB 4.49Å; M166-F222 HydrophobicContact CE-CB 4.07Å; M166-F222 PolarHBondContact N-O 3.34Å; M166-F222 PolarHBondContact O-N 3.08Å; I186-F222 HydrophobicContact CD1-CB 3.94Å; I186-F222 HydrophobicContact CD1-CD1 3.5Å; I186-F222 VanDerWaalsContact CD1-CD1 3.5Å; I186-F222 HydrophobicContact CD1-CD2 4.26Å; I186-F222 HydrophobicContact CD1-CE1 3.98Å; I186-F222 HydrophobicContact CD1-CG 3.65Å; I186-F222 HydrophobicContact CG1-CD1 3.98Å; I186-F222 HydrophobicContact CG1-CE1 3.92Å; I186-F222 HydrophobicContact CG1-CG 4.44Å; I186-F222 HydrophobicContact CG1-CZ 4.36Å; I186-F222 HydrophobicContact CG2-CD2 4.36Å; I186-F222 HydrophobicContact CG2-CE2 4.05Å; I186-F222 HydrophobicContact CG2-CZ 4.11Å; I207-F222 HydrophobicContact CB-CE1 4.2Å; I207-F222 HydrophobicContact CG2-CD1 4.15Å; I207-F222 HydrophobicContact CG2-CE1 3.65Å; V209-F222 HydrophobicContact CG2-CZ 4.06Å; V220-F222 HydrophobicContact CG1-CD2 4.21Å; V220-F222 HydrophobicContact CG1-CE1 4.34Å; V220-F222 HydrophobicContact CG1-CE2 3.58Å; V220-F222 HydrophobicContact CG1-CZ 3.67Å
223	E	97.3	Very high	93.3	Very high	93 Å²	93	39.1 Å²	39.1	44%	0.435	20%	0.198	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-114.2	129.1	179.9	-172.2	165.4	176.9	0	0	111.1	Y56 F57 N225	Y56-E223 CarbonylContact C-O 3.47Å; Y56-E223 VanDerWaalsContact CA-O 3.28Å; Y56-E223 WeakPolarHBondContact CA-O 3.34Å; Y56-E223 VanDerWaalsContact CD1-C 3.45Å; F57-E223 PolarHBondContact N-O 2.88Å; F57-E223 PolarHBondContact O-N 2.93Å; E223-N225 PolarHBondContact O-N 3.08Å
224	P	95.7	Very high	93.3	Very high	23 Å²	23	40.7 Å²	40.7	15%	0.149	21%	0.209	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-57.3	125.9	-178.8	-26.1	34	0	0	0	112.7	Y56 G164 T226	Y56-P224 HydrophobicContact CD1-CG 4.31Å; Y56-P224 HydrophobicContact CE1-CB 4.29Å; Y56-P224 HydrophobicContact CE1-CG 3.67Å; G164-P224 WeakPolarHBondContact O-CD 3.37Å; G164-P224 WeakPolarHBondContact O-CG 3.34Å; P224-T226 PolarHBondContact O-N 2.02Å
225	N	93.5	Very high	93.5	Very high	1 Å²	1	42.5 Å²	42.5	1%	0.005	22%	0.219	C	C	.	.			trans	-75.3	95	179.8	-172.8	-14.5	0	0	0	110	D52 Y54 E55 F57 E223 E227 S228	D52-N225 PolarHBondContact OD1-ND2 3.08Å; D52-N225 PolarHBondContact OD2-ND2 3.09Å; Y54-N225 WeakPolarHBondContact O-CB 3.47Å; Y54-N225 PolarHBondContact O-ND2 3.38Å; Y54-N225 VanDerWaalsContact O-ND2 3.09Å; E55-N225 PolarHBondContact O-N 2.95Å; F57-N225 HydrophobicContact CD2-CB 4.05Å; F57-N225 HydrophobicContact CE2-CB 3.8Å; F57-N225 WeakPolarHBondContact CE2-OD1 3.47Å; F57-N225 HydrophobicContact CZ-CB 4.26Å; F57-N225 VanDerWaalsContact CZ-CG 3.4Å; F57-N225 WeakPolarHBondContact CZ-ND2 3.44Å; F57-N225 WeakPolarHBondContact CZ-OD1 3.48Å; E223-N225 PolarHBondContact O-N 3.08Å; N225-E227 PolarHBondContact O-N 3.49Å; N225-E227 VanDerWaalsContact O-N 3.16Å; N225-E227 WeakPolarHBondContact OD1-CA 3.24Å; N225-E227 WeakPolarHBondContact OD1-CB 3.48Å; N225-E227 PolarHBondContact OD1-N 3.28Å; N225-E227 VanDerWaalsContact OD1-N 3.07Å; N225-S228 WeakPolarHBondContact O-CB 3.43Å; N225-S228 PolarHBondContact O-N 2.9Å; N225-S228 PolarHBondContact O-OG 2.02Å
226	T	90	Very high	93.8	Very high	79 Å²	79	44.9 Å²	44.9	49%	0.485	23%	0.232	S	C	.	.	T	Hydrogen-bonded Turn	trans	-64.9	-12.3	177.8	51.8	0	0	0	0	113.8	P224 M231 K232	P224-T226 PolarHBondContact O-N 2.02Å; T226-M231 HydrophobicContact CG2-CE 4.1Å; T226-K232 WeakPolarHBondContact O-CE 3.48Å; T226-K232 PolarHBondContact O-NZ 3.17Å
227	E	88.1	Confident	94.1	Very high	96 Å²	96	42 Å²	42	45%	0.449	22%	0.224	S	C	.	.	T	Hydrogen-bonded Turn	trans	-94.5	4.5	177.2	-60.2	-49.7	128.9	0	0	114.4	N225 K232	N225-E227 PolarHBondContact O-N 3.49Å; N225-E227 VanDerWaalsContact O-N 3.16Å; N225-E227 WeakPolarHBondContact OD1-CA 3.24Å; N225-E227 WeakPolarHBondContact OD1-CB 3.48Å; N225-E227 PolarHBondContact OD1-N 3.28Å; N225-E227 VanDerWaalsContact OD1-N 3.07Å; E227-K232 IonicContact OE1-NZ 3.85Å; E227-K232 PolarHBondContact OE1-NZ 2.74Å; E227-K232 IonicContact OE2-NZ 2.69Å; E227-K232 PolarHBondContact OE2-NZ 3.48Å
228	S	89.6	Confident	94.1	Very high	1 Å²	1	40.3 Å²	40.3	1%	0.007	22%	0.215	C	C	.	.	S	Bend	trans	-74.5	156.6	171.4	62.1	0	0	0	0	113.1	Y54 N225 F230 M231	Y54-S228 WeakPolarHBondContact O-CB 2.97Å; N225-S228 WeakPolarHBondContact O-CB 3.43Å; N225-S228 PolarHBondContact O-N 2.9Å; N225-S228 PolarHBondContact O-OG 2.02Å; S228-F230 VanDerWaalsContact CB-CE1 3.49Å; S228-F230 PolarHBondContact O-N 2.93Å; S228-F230 VanDerWaalsContact OG-CD1 3.28Å; S228-F230 WeakPolarHBondContact OG-CD1 2.94Å; S228-F230 WeakPolarHBondContact OG-CE1 3.34Å; S228-M231 PolarHBondContact O-N 3.1Å; S228-M231 VanDerWaalsContact OG-CG 3.24Å; S228-M231 WeakPolarHBondContact OG-CG 3.03Å
229	C	92.8	Very high	94.1	Very high	0 Å²	0	44.7 Å²	44.7	0%	0	24%	0.238	C	C	.	.	G	3₁₀ helix	trans	-59.1	-49.6	-179.1	-51.3	0	0	0	0	112.4	M231 K232 M246 C248 C257	C229-M231 PolarHBondContact O-N 3.26Å; C229-K232 PolarHBondContact O-N 3.37Å; C229-M246 VanDerWaalsContact SG-SD 3.65Å; C229-C248 WeakPolarHBondContact CA-SG 3.44Å; C229-C248 HydrophobicContact CB-CB 3.79Å; C229-C248 WeakPolarHBondContact CB-SG 3.44Å; C229-C248 WeakPolarHBondContact SG-CA 2.99Å; C229-C248 WeakPolarHBondContact SG-CB 3.34Å; C229-C248 CovalentContact SG-SG 2.03Å; C229-C248 PolarHBondContact SG-SG 3.32Å; C229-C257 WeakPolarHBondContact O-CB 3.42Å; C229-C257 PolarHBondContact O-SG 3.23Å
230	F	89.8	Confident	93.9	Very high	12 Å²	12	48.4 Å²	48.4	5%	0.053	27%	0.265	C	S	.	.	G	3₁₀ helix	trans	-62.3	-19.3	-175.5	77.6	-84.2	0	0	0	113.9	E55 S228 K232 D262 H264	E55-F230 HydrophobicContact CB-CE1 3.97Å; E55-F230 HydrophobicContact CB-CZ 4.17Å; E55-F230 HydrophobicContact CG-CD1 4.19Å; E55-F230 HydrophobicContact CG-CE1 3.52Å; E55-F230 HydrophobicContact CG-CZ 4.02Å; S228-F230 VanDerWaalsContact CB-CE1 3.49Å; S228-F230 PolarHBondContact O-N 2.93Å; S228-F230 VanDerWaalsContact OG-CD1 3.28Å; S228-F230 WeakPolarHBondContact OG-CD1 2.94Å; S228-F230 WeakPolarHBondContact OG-CE1 3.34Å; F230-K232 VanDerWaalsContact C-N 3.35Å; F230-D262 HydrophobicContact CB-CB 4.23Å; F230-D262 HydrophobicContact CD1-CB 4.27Å; F230-H264 PolarHBondContact O-CE1 3.14Å
231	M	90.9	Very high	93.6	Very high	61 Å²	61	48.7 Å²	48.7	30%	0.3	27%	0.267	S	S	.	.	G	3₁₀ helix	trans	-80.9	-12.2	176.1	-69.7	-67.1	-78.4	0	0	113.6	T226 S228 C229	T226-M231 HydrophobicContact CG2-CE 4.1Å; S228-M231 PolarHBondContact O-N 3.1Å; S228-M231 VanDerWaalsContact OG-CG 3.24Å; S228-M231 WeakPolarHBondContact OG-CG 3.03Å; C229-M231 PolarHBondContact O-N 3.26Å
232	K	93.6	Very high	93.3	Very high	29 Å²	29	49.4 Å²	49.4	13%	0.126	28%	0.276	C	S	.	.			trans	-87.8	125.4	-175.9	-52.5	-50.6	-169.4	-175.5	0	111.9	T226 E227 C229 F230 T237 C238 A241 C257	T226-K232 WeakPolarHBondContact O-CE 3.48Å; T226-K232 PolarHBondContact O-NZ 3.17Å; E227-K232 IonicContact OE1-NZ 3.85Å; E227-K232 PolarHBondContact OE1-NZ 2.74Å; E227-K232 IonicContact OE2-NZ 2.69Å; E227-K232 PolarHBondContact OE2-NZ 3.48Å; C229-K232 PolarHBondContact O-N 3.37Å; F230-K232 VanDerWaalsContact C-N 3.35Å; K232-T237 WeakPolarHBondContact CG-O 3.12Å; K232-C238 HydrophobicContact CB-CB 4.25Å; K232-A241 HydrophobicContact CD-CB 4.24Å; K232-A241 HydrophobicContact CG-CB 3.76Å; K232-C257 HydrophobicContact CB-CB 4.02Å; K232-C257 VanDerWaalsContact O-CB 3.28Å; K232-C257 WeakPolarHBondContact O-CB 3.4Å
233	V	93	Very high	92.8	Very high	133 Å²	133	52.7 Å²	52.7	81%	0.806	29%	0.29	S	S	*	.			trans	-103.4	7	-172.1	-59.6	0	0	0	0	114.8
234	S	94.6	Very high	92.1	Very high	35 Å²	35	57.3 Å²	57.3	25%	0.245	32%	0.317	C	S	.	.	S	Bend	trans	-139.7	156.1	174.1	73.2	0	0	0	0	110.8	E236 T237 C238 W250	S234-E236 VanDerWaalsContact C-N 3.27Å; S234-E236 PolarHBondContact O-N 3.13Å; S234-T237 PolarHBondContact N-OG1 2.95Å; S234-T237 PolarHBondContact O-N 3.16Å; S234-T237 PolarHBondContact O-OG1 3.33Å; S234-T237 WeakPolarHBondContact OG-CB 3.33Å; S234-T237 WeakPolarHBondContact OG-CG2 3.32Å; S234-T237 PolarHBondContact OG-N 2.95Å; S234-T237 PolarHBondContact OG-OG1 3.08Å; S234-C238 WeakPolarHBondContact O-CB 3.44Å; S234-C238 PolarHBondContact O-N 3.36Å; S234-W250 VanDerWaalsContact C-CZ3 3.43Å
235	N	95.2	Very high	91.4	Very high	49 Å²	49	59 Å²	59	26%	0.262	33%	0.325	S	S	.	.	H	α-helix	trans	-57	-41.9	177.2	172.2	66.7	0	0	0	111.9	C238 L239 W250	N235-C238 WeakPolarHBondContact O-CB 3.46Å; N235-C238 PolarHBondContact O-N 3.19Å; N235-L239 WeakPolarHBondContact O-CG 3.43Å; N235-L239 PolarHBondContact O-N 3.3Å; N235-W250 HydrophobicContact CB-CB 4.24Å; N235-W250 HydrophobicContact CB-CD2 3.92Å; N235-W250 HydrophobicContact CB-CG 3.7Å; N235-W250 VanDerWaalsContact OD1-CB 3.24Å; N235-W250 WeakPolarHBondContact OD1-CB 3.38Å
236	E	94.6	Very high	91	Very high	127 Å²	127	59.5 Å²	59.5	59%	0.593	33%	0.327	S	S	*	.	H	α-helix	trans	-67.9	-50.9	-177.1	-63.6	60.9	-131.3	0	0	110.3	S234 C238 L239 S240	S234-E236 VanDerWaalsContact C-N 3.27Å; S234-E236 PolarHBondContact O-N 3.13Å; E236-C238 VanDerWaalsContact C-N 3.26Å; E236-C238 PolarHBondContact O-N 2.89Å; E236-L239 PolarHBondContact O-N 2.64Å; E236-S240 PolarHBondContact O-N 3.12Å; E236-S240 VanDerWaalsContact O-N 3.11Å; E236-S240 PolarHBondContact O-OG 3.14Å
237	T	95.5	Very high	91	Very high	57 Å²	57	61.9 Å²	61.9	35%	0.35	33%	0.333	S	S	.	.	H	α-helix	trans	-67.3	-26.7	177.3	58.3	0	0	0	0	113.2	K232 S234 S240 A241	K232-T237 WeakPolarHBondContact CG-O 3.12Å; S234-T237 PolarHBondContact N-OG1 2.95Å; S234-T237 PolarHBondContact O-N 3.16Å; S234-T237 PolarHBondContact O-OG1 3.33Å; S234-T237 WeakPolarHBondContact OG-CB 3.33Å; S234-T237 WeakPolarHBondContact OG-CG2 3.32Å; S234-T237 PolarHBondContact OG-N 2.95Å; S234-T237 PolarHBondContact OG-OG1 3.08Å; T237-S240 WeakPolarHBondContact CA-OG 3.36Å; T237-S240 PolarHBondContact O-OG 3.08Å; T237-S240 VanDerWaalsContact O-OG 3.08Å; T237-A241 WeakPolarHBondContact O-CB 3.3Å; T237-A241 PolarHBondContact O-N 3.27Å
238	C	95.6	Very high	91.3	Very high	0 Å²	0	57.3 Å²	57.3	0%	0	31%	0.312	C	S	.	.	H	α-helix	trans	-67.2	-54.3	174.6	180	0	0	0	0	111.6	K232 S234 N235 E236 S240 A241 C248 H249 W250 C257	K232-C238 HydrophobicContact CB-CB 4.25Å; S234-C238 WeakPolarHBondContact O-CB 3.44Å; S234-C238 PolarHBondContact O-N 3.36Å; N235-C238 WeakPolarHBondContact O-CB 3.46Å; N235-C238 PolarHBondContact O-N 3.19Å; E236-C238 VanDerWaalsContact C-N 3.26Å; E236-C238 PolarHBondContact O-N 2.89Å; C238-S240 VanDerWaalsContact C-N 3.29Å; C238-S240 PolarHBondContact O-N 3.01Å; C238-A241 WeakPolarHBondContact O-CB 3.33Å; C238-A241 PolarHBondContact O-N 3.19Å; C238-A241 VanDerWaalsContact O-N 3.08Å; C238-C248 WeakPolarHBondContact O-CB 3.37Å; C238-H249 PolarHBondContact SG-O 3.38Å; C238-W250 HydrophobicContact CB-CB 4.46Å; C238-W250 HydrophobicContact CB-CE3 3.72Å; C238-W250 HydrophobicContact CB-CZ3 4.42Å; C238-W250 PolarHBondContact SG-N 3.31Å; C238-C257 WeakPolarHBondContact CA-SG 3.37Å; C238-C257 HydrophobicContact CB-CB 3.52Å; C238-C257 WeakPolarHBondContact CB-SG 3.37Å; C238-C257 VanDerWaalsContact SG-CA 3.53Å; C238-C257 WeakPolarHBondContact SG-CB 3.4Å; C238-C257 CovalentContact SG-SG 2.02Å; C238-C257 PolarHBondContact SG-SG 2.93Å
239	L	94.6	Very high	91.6	Very high	91 Å²	91	59.8 Å²	59.8	48%	0.476	32%	0.323	S	S	.	.	H	α-helix	trans	-66.9	-32	-177.9	-64	174	0	0	0	111.9	N235 E236 A241 S242	N235-L239 WeakPolarHBondContact O-CG 3.43Å; N235-L239 PolarHBondContact O-N 3.3Å; E236-L239 PolarHBondContact O-N 2.64Å; L239-A241 VanDerWaalsContact C-N 3.26Å; L239-A241 PolarHBondContact O-N 3.49Å; L239-S242 PolarHBondContact O-OG 3.09Å
240	S	93.2	Very high	91.7	Very high	94 Å²	94	60.7 Å²	60.7	66%	0.657	33%	0.326	S	S	*	.	T	Hydrogen-bonded Turn	trans	-72.4	-15	173.6	66.5	0	0	0	0	114.4	E236 T237 C238 S242	E236-S240 PolarHBondContact O-N 3.12Å; E236-S240 VanDerWaalsContact O-N 3.11Å; E236-S240 PolarHBondContact O-OG 3.14Å; T237-S240 WeakPolarHBondContact CA-OG 3.36Å; T237-S240 PolarHBondContact O-OG 3.08Å; T237-S240 VanDerWaalsContact O-OG 3.08Å; C238-S240 VanDerWaalsContact C-N 3.29Å; C238-S240 PolarHBondContact O-N 3.01Å; S240-S242 VanDerWaalsContact C-N 3.33Å
241	A	92.7	Very high	92	Very high	6 Å²	6	60.2 Å²	60.2	5%	0.05	32%	0.324	C	S	.	.	T	Hydrogen-bonded Turn	trans	-85.3	-7.2	179	0	0	0	0	0	113.4	K232 T237 C238 L239 K243	K232-A241 HydrophobicContact CD-CB 4.24Å; K232-A241 HydrophobicContact CG-CB 3.76Å; T237-A241 WeakPolarHBondContact O-CB 3.3Å; T237-A241 PolarHBondContact O-N 3.27Å; C238-A241 WeakPolarHBondContact O-CB 3.33Å; C238-A241 PolarHBondContact O-N 3.19Å; C238-A241 VanDerWaalsContact O-N 3.08Å; L239-A241 VanDerWaalsContact C-N 3.26Å; L239-A241 PolarHBondContact O-N 3.49Å; A241-K243 PolarHBondContact O-N 2.85Å
242	S	91.7	Very high	92.1	Very high	48 Å²	48	61 Å²	61	34%	0.336	34%	0.336	S	S	.	.			trans	-59.5	125.5	175.5	-66.8	0	0	0	0	111.4	L239 S240 M246 C248	L239-S242 PolarHBondContact O-OG 3.09Å; S240-S242 VanDerWaalsContact C-N 3.33Å; S242-M246 CarbonylContact C-O 3.45Å; S242-M246 WeakPolarHBondContact CA-O 3.41Å; S242-C248 WeakPolarHBondContact OG-CB 3.37Å; S242-C248 PolarHBondContact OG-N 2.82Å; S242-C248 PolarHBondContact OG-O 2.91Å
243	K	86.6	Confident	92.1	Very high	71 Å²	71	63.6 Å²	63.6	31%	0.309	36%	0.355	S	S	.	.	B	Isolated β-bridge	trans	-111.9	165.6	175.5	-59	174.5	-171.2	170.4	0	109.4	D52 A241 D245 M246	D52-K243 IonicContact OD2-NZ 3.28Å; A241-K243 PolarHBondContact O-N 2.85Å; K243-D245 VanDerWaalsContact CB-OD1 3.25Å; K243-D245 WeakPolarHBondContact CB-OD1 3.47Å; K243-D245 PolarHBondContact O-N 3.1Å; K243-D245 VanDerWaalsContact O-N 3.11Å; K243-M246 HydrophobicContact CB-CB 4.5Å; K243-M246 HydrophobicContact CD-CE 4.15Å; K243-M246 HydrophobicContact CG-CE 4.49Å; K243-M246 PolarHBondContact N-O 3Å; K243-M246 CarbonylContact O-C 3.59Å; K243-M246 PolarHBondContact O-N 2.8Å
244	L	82.8	Confident	92.1	Very high	190 Å²	190	58.6 Å²	58.6	100%	0.995	33%	0.327	S	S	*	.	T	Hydrogen-bonded Turn	trans	-56.1	-29.3	178.6	-175.4	65.9	0	0	0	113.3
245	D	80.7	Confident	92.1	Very high	60 Å²	60	63 Å²	63	32%	0.321	35%	0.348	S	S	.	.	T	Hydrogen-bonded Turn	trans	-102.8	-3.1	-179.1	43.3	6.4	0	0	0	113.8	H38 K40 K243	H38-D245 IonicContact CE1-OD2 3.94Å; K40-D245 IonicContact NZ-OD2 3.87Å; K40-D245 PolarHBondContact NZ-OD2 3.23Å; K243-D245 VanDerWaalsContact CB-OD1 3.25Å; K243-D245 WeakPolarHBondContact CB-OD1 3.47Å; K243-D245 PolarHBondContact O-N 3.1Å; K243-D245 VanDerWaalsContact O-N 3.11Å
246	M	85.1	Confident	92.1	Very high	10 Å²	10	61.6 Å²	61.6	5%	0.049	34%	0.34	C	S	.	.	B	Isolated β-bridge	trans	-153.4	99.1	-176.3	-179.7	-178.8	66.7	0	0	111	Y54 C229 S242 K243 N259	Y54-M246 HydrophobicContact CD1-SD 4.01Å; Y54-M246 HydrophobicContact CE1-CB 4.2Å; Y54-M246 HydrophobicContact CE1-CG 4.49Å; Y54-M246 HydrophobicContact CE1-SD 4.36Å; C229-M246 VanDerWaalsContact SG-SD 3.65Å; S242-M246 CarbonylContact C-O 3.45Å; S242-M246 WeakPolarHBondContact CA-O 3.41Å; K243-M246 HydrophobicContact CB-CB 4.5Å; K243-M246 HydrophobicContact CD-CE 4.15Å; K243-M246 HydrophobicContact CG-CE 4.49Å; K243-M246 PolarHBondContact N-O 3Å; K243-M246 CarbonylContact O-C 3.59Å; K243-M246 PolarHBondContact O-N 2.8Å; M246-N259 HydrophobicContact CG-CB 4.08Å
247	E	91.3	Very high	92.1	Very high	129 Å²	129	55.5 Å²	55.5	60%	0.603	31%	0.312	S	S	*	.			trans	-80.5	119.4	174	-165.7	175.4	-178.9	0	0	110.5	H249 N259	E247-H249 IonicContact OE1-CE1 3.25Å; E247-H249 PolarHBondContact OE1-CE1 3.03Å; E247-H249 IonicContact OE1-ND1 2.8Å; E247-H249 IonicContact OE2-CE1 3.96Å; E247-N259 WeakPolarHBondContact O-CA 3.43Å; E247-N259 VanDerWaalsContact O-CB 3.28Å; E247-N259 WeakPolarHBondContact O-CB 3.3Å
248	C	93.8	Very high	92	Very high	1 Å²	1	52.8 Å²	52.8	1%	0.007	30%	0.295	C	S	.	.			trans	-95.2	136.8	176.3	-61	0	0	0	0	110.6	C229 C238 S242	C229-C248 WeakPolarHBondContact CA-SG 3.44Å; C229-C248 HydrophobicContact CB-CB 3.79Å; C229-C248 WeakPolarHBondContact CB-SG 3.44Å; C229-C248 WeakPolarHBondContact SG-CA 2.99Å; C229-C248 WeakPolarHBondContact SG-CB 3.34Å; C229-C248 CovalentContact SG-SG 2.03Å; C229-C248 PolarHBondContact SG-SG 3.32Å; C238-C248 WeakPolarHBondContact O-CB 3.37Å; S242-C248 WeakPolarHBondContact OG-CB 3.37Å; S242-C248 PolarHBondContact OG-N 2.82Å; S242-C248 PolarHBondContact OG-O 2.91Å
249	H	95.5	Very high	91.8	Very high	53 Å²	53	54.2 Å²	54.2	25%	0.245	30%	0.303	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-131.8	138.9	179.7	-57.5	-72.5	0	0	0	111.4	C238 E247 S258 W268	C238-H249 PolarHBondContact SG-O 3.38Å; E247-H249 IonicContact OE1-CE1 3.25Å; E247-H249 PolarHBondContact OE1-CE1 3.03Å; E247-H249 IonicContact OE1-ND1 2.8Å; E247-H249 IonicContact OE2-CE1 3.96Å; H249-S258 PolarHBondContact N-O 3.29Å; H249-S258 PolarHBondContact O-N 2.89Å; H249-W268 HydrophobicContact CB-CH2 3.44Å; H249-W268 VanDerWaalsContact CB-CH2 3.44Å; H249-W268 HydrophobicContact CB-CZ2 4.04Å; H249-W268 HydrophobicContact CB-CZ3 4.34Å; H249-W268 WeakPolarHBondContact O-CH2 3.45Å; H249-W268 VanDerWaalsContact O-CZ3 3.29Å; H249-W268 WeakPolarHBondContact O-CZ3 3.25Å
250	W	95.9	Very high	91.4	Very high	18 Å²	18	50.2 Å²	50.2	7%	0.068	28%	0.283	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-84.9	132.7	174.8	-171.1	-109.8	0	0	0	111.6	S234 N235 C238 D255 L256 C257 N277	S234-W250 VanDerWaalsContact C-CZ3 3.43Å; N235-W250 HydrophobicContact CB-CB 4.24Å; N235-W250 HydrophobicContact CB-CD2 3.92Å; N235-W250 HydrophobicContact CB-CG 3.7Å; N235-W250 VanDerWaalsContact OD1-CB 3.24Å; N235-W250 WeakPolarHBondContact OD1-CB 3.38Å; C238-W250 HydrophobicContact CB-CB 4.46Å; C238-W250 HydrophobicContact CB-CE3 3.72Å; C238-W250 HydrophobicContact CB-CZ3 4.42Å; C238-W250 PolarHBondContact SG-N 3.31Å; W250-D255 WeakPolarHBondContact CZ2-OD1 3.28Å; W250-L256 VanDerWaalsContact CE3-C 3.43Å; W250-L256 VanDerWaalsContact CZ3-C 3.44Å; W250-C257 HydrophobicContact CE3-CB 3.81Å; W250-C257 HydrophobicContact CZ3-CB 3.95Å; W250-N277 PolarHBondContact O-ND2 2.83Å; W250-N277 PolarHBondContact O-OD1 3.15Å
251	C	95.8	Very high	91.1	Very high	2 Å²	2	51.5 Å²	51.5	1%	0.014	27%	0.273	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-105.7	93.2	170.4	-170.9	0	0	0	0	111.9	T253 A254 D255 L256 W268 C273	C251-T253 PolarHBondContact O-N 3.08Å; C251-A254 HydrophobicContact CB-CB 4.18Å; C251-A254 CarbonylContact O-C 3.57Å; C251-A254 PolarHBondContact O-N 3.4Å; C251-D255 PolarHBondContact O-N 3.06Å; C251-L256 HydrophobicContact CB-CD1 4.42Å; C251-L256 PolarHBondContact N-O 3.29Å; C251-W268 HydrophobicContact CB-CE3 3.84Å; C251-W268 HydrophobicContact CB-CH2 4.22Å; C251-W268 HydrophobicContact CB-CZ3 3.51Å; C251-C273 HydrophobicContact CB-CB 3.62Å; C251-C273 WeakPolarHBondContact CB-SG 3.41Å; C251-C273 WeakPolarHBondContact SG-CB 3.47Å; C251-C273 CovalentContact SG-SG 2.02Å; C251-C273 PolarHBondContact SG-SG 2.82Å
252	S	93.4	Very high	91	Very high	78 Å²	78	51.2 Å²	51.2	55%	0.545	27%	0.271	S	S	.	.	T	Hydrogen-bonded Turn	trans	-56.6	-20	177.5	-46.2	0	0	0	0	114.8
253	T	93	Very high	90.8	Very high	84 Å²	84	49.4 Å²	49.4	52%	0.515	26%	0.258	S	S	.	.	T	Hydrogen-bonded Turn	trans	-81.4	-27.4	176.8	-49.9	0	0	0	0	112.6	C251 N271 N276	C251-T253 PolarHBondContact O-N 3.08Å; T253-N271 HydrophobicContact CG2-CB 4.13Å; T253-N276 PolarHBondContact OG1-ND2 2.91Å
254	A	93	Very high	91	Very high	27 Å²	27	48 Å²	48	22%	0.223	25%	0.253	C	S	.	.	T	Hydrogen-bonded Turn	trans	-111.2	-5	-175.8	0	0	0	0	0	113.4	C251 L256 N271	C251-A254 HydrophobicContact CB-CB 4.18Å; C251-A254 CarbonylContact O-C 3.57Å; C251-A254 PolarHBondContact O-N 3.4Å; A254-L256 VanDerWaalsContact C-N 3.34Å; A254-L256 HydrophobicContact CB-CD2 3.76Å; A254-L256 HydrophobicContact CB-CG 3.8Å; A254-L256 PolarHBondContact O-N 3.26Å; A254-N271 HydrophobicContact CB-CB 3.88Å; A254-N271 WeakPolarHBondContact CB-ND2 3.39Å
255	D	94.3	Very high	91.3	Very high	127 Å²	127	39 Å²	39	68%	0.679	21%	0.205	S	C	*	.	T	Hydrogen-bonded Turn	trans	52.5	45.2	-176.9	-149	40.1	0	0	0	113.9	W250 C251	W250-D255 WeakPolarHBondContact CZ2-OD1 3.28Å; C251-D255 PolarHBondContact O-N 3.06Å
256	L	94.7	Very high	91.5	Very high	20 Å²	20	41.5 Å²	41.5	11%	0.105	21%	0.214	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-144.2	156.7	-177.8	64.7	81.9	0	0	0	113	W250 C251 A254 H264 A267 W268	W250-L256 VanDerWaalsContact CE3-C 3.43Å; W250-L256 VanDerWaalsContact CZ3-C 3.44Å; C251-L256 HydrophobicContact CB-CD1 4.42Å; C251-L256 PolarHBondContact N-O 3.29Å; A254-L256 VanDerWaalsContact C-N 3.34Å; A254-L256 HydrophobicContact CB-CD2 3.76Å; A254-L256 HydrophobicContact CB-CG 3.8Å; A254-L256 PolarHBondContact O-N 3.26Å; L256-H264 HydrophobicContact CD1-CB 3.79Å; L256-H264 HydrophobicContact CD2-CB 4.2Å; L256-A267 HydrophobicContact CD2-CB 3.63Å; L256-W268 HydrophobicContact CD1-CE3 3.94Å; L256-W268 HydrophobicContact CD1-CZ3 4.42Å
257	C	95.2	Very high	91.7	Very high	0 Å²	0	42.6 Å²	42.6	0%	0	22%	0.224	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-95.9	143.3	168.1	-171.5	0	0	0	0	110.9	C229 K232 C238 W250 H264	C229-C257 WeakPolarHBondContact O-CB 3.42Å; C229-C257 PolarHBondContact O-SG 3.23Å; K232-C257 HydrophobicContact CB-CB 4.02Å; K232-C257 VanDerWaalsContact O-CB 3.28Å; K232-C257 WeakPolarHBondContact O-CB 3.4Å; C238-C257 WeakPolarHBondContact CA-SG 3.37Å; C238-C257 HydrophobicContact CB-CB 3.52Å; C238-C257 WeakPolarHBondContact CB-SG 3.37Å; C238-C257 VanDerWaalsContact SG-CA 3.53Å; C238-C257 WeakPolarHBondContact SG-CB 3.4Å; C238-C257 CovalentContact SG-SG 2.02Å; C238-C257 PolarHBondContact SG-SG 2.93Å; W250-C257 HydrophobicContact CE3-CB 3.81Å; W250-C257 HydrophobicContact CZ3-CB 3.95Å; C257-H264 PolarHBondContact O-ND1 3.29Å
258	S	94.1	Very high	91.6	Very high	0 Å²	0	36.9 Å²	36.9	0%	0	20%	0.197	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-161	154.4	173.7	-174.8	0	0	0	0	112.1	H249 G260 D262 W268	H249-S258 PolarHBondContact N-O 3.29Å; H249-S258 PolarHBondContact O-N 2.89Å; S258-G260 VanDerWaalsContact C-N 3.3Å; S258-G260 PolarHBondContact OG-N 3.38Å; S258-D262 WeakPolarHBondContact CA-OD2 3.32Å; S258-D262 WeakPolarHBondContact CB-OD1 3.39Å; S258-D262 PolarHBondContact OG-OD1 3.34Å; S258-D262 PolarHBondContact OG-OD2 3.23Å; S258-D262 VanDerWaalsContact OG-OD2 3.11Å; S258-W268 VanDerWaalsContact CB-CE3 3.48Å
259	N	89.6	Confident	91.2	Very high	30 Å²	30	38.4 Å²	38.4	16%	0.16	21%	0.205	C	C	.	.			trans	-87.7	4.3	162.2	63.1	26.7	0	0	0	112.8	M246 E247 R261 D262	M246-N259 HydrophobicContact CG-CB 4.08Å; E247-N259 WeakPolarHBondContact O-CA 3.43Å; E247-N259 VanDerWaalsContact O-CB 3.28Å; E247-N259 WeakPolarHBondContact O-CB 3.3Å; N259-R261 VanDerWaalsContact C-N 3.25Å; N259-R261 PolarHBondContact O-N 2.66Å; N259-R261 WeakPolarHBondContact OD1-CA 3.5Å; N259-R261 PolarHBondContact OD1-N 3.11Å; N259-D262 PolarHBondContact N-OD2 3.48Å; N259-D262 PolarHBondContact OD1-N 3Å; N259-D262 PolarHBondContact OD1-OD2 3.11Å
260	G	87.5	Confident	90.7	Very high	6 Å²	6	40.3 Å²	40.3	6%	0.062	22%	0.215	C	C	.	.	S	Bend	trans	77.2	-0.1	-177.4	0	0	0	0	0	115.3	H32 S258 S265	H32-G260 PolarHBondContact ND1-O 3.5Å; S258-G260 VanDerWaalsContact C-N 3.3Å; S258-G260 PolarHBondContact OG-N 3.38Å; G260-S265 WeakPolarHBondContact O-CB 3.36Å; G260-S265 PolarHBondContact O-OG 3.23Å
261	R	86.3	Confident	90.4	Very high	121 Å²	121	41.9 Å²	41.9	46%	0.457	23%	0.225	S	C	.	.	S	Bend	trans	-125.4	-23.4	179.7	-70.8	-177.2	177.3	178.7	5.5	113.9	H32 V36 Y204 N259	H32-R261 WeakPolarHBondContact CE1-CG 3.29Å; H32-R261 PolarHBondContact CE1-NE 2.92Å; H32-R261 PolarHBondContact NE2-NE 2.89Å; H32-R261 PolarHBondContact NE2-NH2 3.34Å; V36-R261 HydrophobicContact CG2-CB 4.21Å; V36-R261 HydrophobicContact CG2-CG 4.32Å; Y204-R261 WeakPolarHBondContact CE2-O 3.36Å; Y204-R261 VanDerWaalsContact CZ-O 3.3Å; Y204-R261 PolarHBondContact OH-O 3.01Å; N259-R261 VanDerWaalsContact C-N 3.25Å; N259-R261 PolarHBondContact O-N 2.66Å; N259-R261 WeakPolarHBondContact OD1-CA 3.5Å; N259-R261 PolarHBondContact OD1-N 3.11Å
262	D	89.8	Confident	90	Very high	0 Å²	0	45 Å²	45	0%	0	24%	0.241	C	C	.	.	S	Bend	trans	-64.5	-179.6	172.3	61.9	42.5	0	0	0	113.4	Y190 Y204 F230 S258 N259 H264 S265	Y190-D262 PolarHBondContact OH-O 3.43Å; Y204-D262 WeakPolarHBondContact OH-CA 3.1Å; F230-D262 HydrophobicContact CB-CB 4.23Å; F230-D262 HydrophobicContact CD1-CB 4.27Å; S258-D262 WeakPolarHBondContact CA-OD2 3.32Å; S258-D262 WeakPolarHBondContact CB-OD1 3.39Å; S258-D262 PolarHBondContact OG-OD1 3.34Å; S258-D262 PolarHBondContact OG-OD2 3.23Å; S258-D262 VanDerWaalsContact OG-OD2 3.11Å; N259-D262 PolarHBondContact N-OD2 3.48Å; N259-D262 PolarHBondContact OD1-N 3Å; N259-D262 PolarHBondContact OD1-OD2 3.11Å; D262-H264 PolarHBondContact O-N 3.46Å; D262-H264 WeakPolarHBondContact OD1-CB 3.29Å; D262-H264 PolarHBondContact OD1-N 3.11Å; D262-S265 WeakPolarHBondContact O-CB 3.42Å; D262-S265 PolarHBondContact O-N 3.17Å
263	T	89.4	Confident	89.9	Confident	10 Å²	10	41.2 Å²	41.2	6%	0.061	22%	0.215	C	C	.	.	T	Hydrogen-bonded Turn	trans	-56.6	-14.7	-177.3	55.5	0	0	0	0	115.7	Y92 Y188 Y190	Y92-T263 HydrophobicContact CD1-CG2 4.45Å; Y92-T263 WeakPolarHBondContact O-CG2 3.37Å; Y92-T263 PolarHBondContact O-OG1 3.21Å; Y188-T263 HydrophobicContact CD1-CG2 4.19Å; Y188-T263 HydrophobicContact CD2-CG2 4.14Å; Y188-T263 HydrophobicContact CE1-CG2 4.27Å; Y188-T263 HydrophobicContact CE2-CG2 4.21Å; Y188-T263 HydrophobicContact CG-CG2 4.12Å; Y190-T263 WeakPolarHBondContact OH-CA 3.41Å
264	H	90.5	Very high	89.4	Confident	42 Å²	42	39.8 Å²	39.8	19%	0.194	21%	0.209	C	C	.	.	T	Hydrogen-bonded Turn	trans	-87.1	-4.2	172.9	-64.9	161	0	0	0	114.3	F230 L256 C257 D262 K266 A267 W268	F230-H264 PolarHBondContact O-CE1 3.14Å; L256-H264 HydrophobicContact CD1-CB 3.79Å; L256-H264 HydrophobicContact CD2-CB 4.2Å; C257-H264 PolarHBondContact O-ND1 3.29Å; D262-H264 PolarHBondContact O-N 3.46Å; D262-H264 WeakPolarHBondContact OD1-CB 3.29Å; D262-H264 PolarHBondContact OD1-N 3.11Å; H264-K266 VanDerWaalsContact C-N 3.26Å; H264-K266 PolarHBondContact O-N 3.1Å; H264-K266 VanDerWaalsContact O-N 3.09Å; H264-A267 WeakPolarHBondContact O-CA 3.42Å; H264-A267 PolarHBondContact O-N 3.11Å; H264-W268 WeakPolarHBondContact O-CB 3.22Å; H264-W268 PolarHBondContact O-N 2.85Å
265	S	88.2	Confident	88.7	Confident	0 Å²	0	43.2 Å²	43.2	0%	0	22%	0.219	C	C	.	.	H	α-helix	trans	-52.2	-37.4	-175.3	-171.7	0	0	0	0	114.1	G260 D262 W268 M269	G260-S265 WeakPolarHBondContact O-CB 3.36Å; G260-S265 PolarHBondContact O-OG 3.23Å; D262-S265 WeakPolarHBondContact O-CB 3.42Å; D262-S265 PolarHBondContact O-N 3.17Å; S265-W268 WeakPolarHBondContact O-CB 3.25Å; S265-W268 PolarHBondContact O-N 3.45Å; S265-M269 WeakPolarHBondContact O-CB 3.48Å; S265-M269 VanDerWaalsContact O-CG 3.32Å; S265-M269 WeakPolarHBondContact O-CG 3.44Å; S265-M269 PolarHBondContact O-N 3.41Å
266	K	85.3	Confident	87.5	Confident	114 Å²	114	39.8 Å²	39.8	50%	0.496	20%	0.2	S	C	.	.	H	α-helix	trans	-61.7	-46.3	174.1	-177.4	180	179.5	-176.9	0	112.5	T29 H264 I270	T29-K266 HydrophobicContact CG2-CB 4.47Å; H264-K266 VanDerWaalsContact C-N 3.26Å; H264-K266 PolarHBondContact O-N 3.1Å; H264-K266 VanDerWaalsContact O-N 3.09Å; K266-I270 HydrophobicContact CG-CD1 4.02Å; K266-I270 WeakPolarHBondContact O-CB 3.23Å; K266-I270 WeakPolarHBondContact O-CD1 3.32Å; K266-I270 VanDerWaalsContact O-CG1 3.24Å; K266-I270 WeakPolarHBondContact O-CG1 3.2Å; K266-I270 PolarHBondContact O-N 3.34Å; K266-I270 VanDerWaalsContact O-N 3.08Å
267	A	88.9	Confident	86.2	Confident	33 Å²	33	39.5 Å²	39.5	27%	0.273	20%	0.199	S	C	.	.	H	α-helix	trans	-71	-35.5	178	0	0	0	0	0	111.6	L256 H264 I270 N271	L256-A267 HydrophobicContact CD2-CB 3.63Å; H264-A267 WeakPolarHBondContact O-CA 3.42Å; H264-A267 PolarHBondContact O-N 3.11Å; A267-I270 PolarHBondContact O-N 3.05Å; A267-N271 WeakPolarHBondContact O-CB 3.41Å; A267-N271 PolarHBondContact O-N 3.02Å; A267-N271 VanDerWaalsContact O-N 3.08Å; A267-N271 PolarHBondContact O-ND2 2.84Å
268	W	89.3	Confident	84.4	Confident	9 Å²	9	45.4 Å²	45.4	3%	0.034	23%	0.228	C	C	.	.	H	α-helix	trans	-56.5	-49.1	172.9	-172.1	-95.4	0	0	0	112.4	H249 C251 L256 S258 H264 S265 N272 C273 S274 N277	H249-W268 HydrophobicContact CB-CH2 3.44Å; H249-W268 VanDerWaalsContact CB-CH2 3.44Å; H249-W268 HydrophobicContact CB-CZ2 4.04Å; H249-W268 HydrophobicContact CB-CZ3 4.34Å; H249-W268 WeakPolarHBondContact O-CH2 3.45Å; H249-W268 VanDerWaalsContact O-CZ3 3.29Å; H249-W268 WeakPolarHBondContact O-CZ3 3.25Å; C251-W268 HydrophobicContact CB-CE3 3.84Å; C251-W268 HydrophobicContact CB-CH2 4.22Å; C251-W268 HydrophobicContact CB-CZ3 3.51Å; L256-W268 HydrophobicContact CD1-CE3 3.94Å; L256-W268 HydrophobicContact CD1-CZ3 4.42Å; S258-W268 VanDerWaalsContact CB-CE3 3.48Å; H264-W268 WeakPolarHBondContact O-CB 3.22Å; H264-W268 PolarHBondContact O-N 2.85Å; S265-W268 WeakPolarHBondContact O-CB 3.25Å; S265-W268 PolarHBondContact O-N 3.45Å; W268-N272 PolarHBondContact O-N 3.48Å; W268-C273 HydrophobicContact CD2-CB 3.37Å; W268-C273 HydrophobicContact CE3-CB 3.6Å; W268-C273 HydrophobicContact CG-CB 3.89Å; W268-C273 HydrophobicContact CH2-CB 3.86Å; W268-C273 HydrophobicContact CZ2-CB 3.65Å; W268-C273 HydrophobicContact CZ3-CB 3.87Å; W268-C273 WeakPolarHBondContact O-CB 3.33Å; W268-C273 PolarHBondContact O-N 3.35Å; W268-C273 VanDerWaalsContact O-N 3.1Å; W268-C273 PolarHBondContact O-SG 2.89Å; W268-S274 PolarHBondContact NE1-OG 3.25Å; W268-N277 VanDerWaalsContact CH2-ND2 3.34Å; W268-N277 WeakPolarHBondContact CH2-ND2 3.02Å
269	M	85.2	Confident	82.4	Confident	33 Å²	33	51.3 Å²	51.3	16%	0.163	26%	0.256	C	S	.	.	H	α-helix	trans	-70.1	-43.2	179.4	-70.9	-58	-56.8	0	0	112.3	F28 S265 N271 N272	F28-M269 HydrophobicContact CB-CE 4.42Å; F28-M269 HydrophobicContact CD1-CE 3.28Å; F28-M269 HydrophobicContact CD1-CG 4.48Å; F28-M269 HydrophobicContact CD1-SD 3.81Å; F28-M269 HydrophobicContact CE1-CE 3.71Å; F28-M269 HydrophobicContact CE1-SD 3.9Å; F28-M269 HydrophobicContact CG-CE 3.98Å; S265-M269 WeakPolarHBondContact O-CB 3.48Å; S265-M269 VanDerWaalsContact O-CG 3.32Å; S265-M269 WeakPolarHBondContact O-CG 3.44Å; S265-M269 PolarHBondContact O-N 3.41Å; M269-N271 VanDerWaalsContact C-N 3.28Å; M269-N271 PolarHBondContact O-N 2.88Å; M269-N272 PolarHBondContact O-N 2.9Å; M269-N272 VanDerWaalsContact O-N 3.1Å
270	I	86.4	Confident	80.8	Confident	92 Å²	92	54.2 Å²	54.2	47%	0.472	27%	0.267	S	S	.	.	H	α-helix	trans	-59	-39.8	177.8	-73.2	167.9	0	0	0	111.7	K266 A267 N272	K266-I270 HydrophobicContact CG-CD1 4.02Å; K266-I270 WeakPolarHBondContact O-CB 3.23Å; K266-I270 WeakPolarHBondContact O-CD1 3.32Å; K266-I270 VanDerWaalsContact O-CG1 3.24Å; K266-I270 WeakPolarHBondContact O-CG1 3.2Å; K266-I270 PolarHBondContact O-N 3.34Å; K266-I270 VanDerWaalsContact O-N 3.08Å; A267-I270 PolarHBondContact O-N 3.05Å; I270-N272 VanDerWaalsContact C-N 3.31Å; I270-N272 PolarHBondContact O-N 3.19Å
271	N	88.4	Confident	79.1	Confident	52 Å²	52	58 Å²	58	28%	0.278	29%	0.285	S	S	.	.	T	Hydrogen-bonded Turn	trans	-89.4	8.3	180	-68	-75	0	0	0	113.8	T253 A254 A267 M269 C273	T253-N271 HydrophobicContact CG2-CB 4.13Å; A254-N271 HydrophobicContact CB-CB 3.88Å; A254-N271 WeakPolarHBondContact CB-ND2 3.39Å; A267-N271 WeakPolarHBondContact O-CB 3.41Å; A267-N271 PolarHBondContact O-N 3.02Å; A267-N271 VanDerWaalsContact O-N 3.08Å; A267-N271 PolarHBondContact O-ND2 2.84Å; M269-N271 VanDerWaalsContact C-N 3.28Å; M269-N271 PolarHBondContact O-N 2.88Å; N271-C273 PolarHBondContact O-N 3.32Å; N271-C273 VanDerWaalsContact O-N 3.14Å
272	N	87.5	Confident	77	Confident	66 Å²	66	59 Å²	59	35%	0.353	29%	0.293	S	S	.	.	T	Hydrogen-bonded Turn	trans	55.7	31.5	175.1	-179.5	69.8	0	0	0	113.1	W268 M269 I270 S274 K275	W268-N272 PolarHBondContact O-N 3.48Å; M269-N272 PolarHBondContact O-N 2.9Å; M269-N272 VanDerWaalsContact O-N 3.1Å; I270-N272 VanDerWaalsContact C-N 3.31Å; I270-N272 PolarHBondContact O-N 3.19Å; N272-S274 VanDerWaalsContact C-N 3.3Å; N272-S274 PolarHBondContact O-N 2.75Å; N272-K275 PolarHBondContact O-N 3.08Å; N272-K275 WeakPolarHBondContact OD1-CD 3.48Å; N272-K275 VanDerWaalsContact OD1-CE 3.25Å; N272-K275 WeakPolarHBondContact OD1-CE 3.29Å; N272-K275 WeakPolarHBondContact OD1-CG 3.26Å; N272-K275 PolarHBondContact OD1-NZ 2.92Å
273	C	90.6	Very high	74.9	Confident	0 Å²	0	66.4 Å²	66.4	0%	0	33%	0.325	C	S	.	.	H	α-helix	trans	-58.2	-37.4	-170.3	-60.1	0	0	0	0	113.2	C251 W268 N271 K275 N276 N277	C251-C273 HydrophobicContact CB-CB 3.62Å; C251-C273 WeakPolarHBondContact CB-SG 3.41Å; C251-C273 WeakPolarHBondContact SG-CB 3.47Å; C251-C273 CovalentContact SG-SG 2.02Å; C251-C273 PolarHBondContact SG-SG 2.82Å; W268-C273 HydrophobicContact CD2-CB 3.37Å; W268-C273 HydrophobicContact CE3-CB 3.6Å; W268-C273 HydrophobicContact CG-CB 3.89Å; W268-C273 HydrophobicContact CH2-CB 3.86Å; W268-C273 HydrophobicContact CZ2-CB 3.65Å; W268-C273 HydrophobicContact CZ3-CB 3.87Å; W268-C273 WeakPolarHBondContact O-CB 3.33Å; W268-C273 PolarHBondContact O-N 3.35Å; W268-C273 VanDerWaalsContact O-N 3.1Å; W268-C273 PolarHBondContact O-SG 2.89Å; N271-C273 PolarHBondContact O-N 3.32Å; N271-C273 VanDerWaalsContact O-N 3.14Å; C273-K275 VanDerWaalsContact C-N 3.31Å; C273-K275 PolarHBondContact O-N 3.39Å; C273-N276 PolarHBondContact O-N 3.05Å; C273-N276 VanDerWaalsContact O-N 3.08Å; C273-N277 PolarHBondContact O-N 3.47Å; C273-N277 VanDerWaalsContact O-N 3.14Å
274	S	84.1	Confident	72.8	Confident	53 Å²	53	68.6 Å²	68.6	37%	0.371	34%	0.341	S	S	.	.	H	α-helix	trans	-55.7	-40.4	178.5	-45.5	0	0	0	0	113.1	W268 N272 M278	W268-S274 PolarHBondContact NE1-OG 3.25Å; N272-S274 VanDerWaalsContact C-N 3.3Å; N272-S274 PolarHBondContact O-N 2.75Å; S274-M278 VanDerWaalsContact O-CG 3.29Å; S274-M278 WeakPolarHBondContact O-CG 3.27Å; S274-M278 PolarHBondContact O-N 3.05Å
275	K	77.7	Confident	70.4	Confident	100 Å²	100	71.6 Å²	71.6	44%	0.435	36%	0.358	S	S	.	.	H	α-helix	trans	-72	-33.2	179.2	-62.7	-169.6	-166.5	128.4	0	112.2	N272 C273 Q279	N272-K275 PolarHBondContact O-N 3.08Å; N272-K275 WeakPolarHBondContact OD1-CD 3.48Å; N272-K275 VanDerWaalsContact OD1-CE 3.25Å; N272-K275 WeakPolarHBondContact OD1-CE 3.29Å; N272-K275 WeakPolarHBondContact OD1-CG 3.26Å; N272-K275 PolarHBondContact OD1-NZ 2.92Å; C273-K275 VanDerWaalsContact C-N 3.31Å; C273-K275 PolarHBondContact O-N 3.39Å; K275-Q279 WeakPolarHBondContact O-CG 3.41Å; K275-Q279 PolarHBondContact O-N 2.83Å
276	N	69.9	Low	68.1	Low	55 Å²	55	78.8 Å²	78.8	29%	0.294	39%	0.392	S	S	.	.	H	α-helix	trans	-71.8	-35.9	-177.1	-66.7	-7.4	0	0	0	111.3	T253 C273 Q279 K280	T253-N276 PolarHBondContact OG1-ND2 2.91Å; C273-N276 PolarHBondContact O-N 3.05Å; C273-N276 VanDerWaalsContact O-N 3.08Å; N276-Q279 PolarHBondContact O-N 3.02Å; N276-K280 PolarHBondContact O-N 3.45Å
277	N	67.1	Low	65.9	Low	13 Å²	13	81.2 Å²	81.2	7%	0.07	40%	0.403	C	S	.	.	H	α-helix	trans	-77.7	-42.1	177.8	-69.2	-22.7	0	0	0	112.1	W250 W268 C273 Q279 K280 D281	W250-N277 PolarHBondContact O-ND2 2.83Å; W250-N277 PolarHBondContact O-OD1 3.15Å; W268-N277 VanDerWaalsContact CH2-ND2 3.34Å; W268-N277 WeakPolarHBondContact CH2-ND2 3.02Å; C273-N277 PolarHBondContact O-N 3.47Å; C273-N277 VanDerWaalsContact O-N 3.14Å; N277-Q279 PolarHBondContact O-N 3.18Å; N277-K280 WeakPolarHBondContact O-CB 3.49Å; N277-K280 PolarHBondContact O-N 2.83Å; N277-K280 PolarHBondContact OD1-NZ 3.34Å; N277-K280 VanDerWaalsContact OD1-NZ 3.12Å; N277-D281 PolarHBondContact O-N 3.5Å
278	M	57.4	Low	63.6	Low	125 Å²	125	84.9 Å²	84.9	62%	0.616	42%	0.418	S	S	*	.	H	α-helix	trans	-57.9	-14.4	169.9	-67.6	-176.4	90.7	0	0	114.9	S274	S274-M278 VanDerWaalsContact O-CG 3.29Å; S274-M278 WeakPolarHBondContact O-CG 3.27Å; S274-M278 PolarHBondContact O-N 3.05Å
279	Q	51.2	Low	61.2	Low	124 Å²	124	93.1 Å²	93.1	58%	0.579	45%	0.454	S	S	*	.	H	α-helix	trans	-92.3	-20.7	172.5	-76.5	-176.7	6.3	0	0	113.9	K275 N276 N277	K275-Q279 WeakPolarHBondContact O-CG 3.41Å; K275-Q279 PolarHBondContact O-N 2.83Å; N276-Q279 PolarHBondContact O-N 3.02Å; N277-Q279 PolarHBondContact O-N 3.18Å
280	K	55.6	Low	59	Low	91 Å²	91	100.6 Å²	100.6	40%	0.396	49%	0.485	S	S	.	.	H	α-helix	trans	-73.1	-44.8	173.8	-72.4	175.4	-177.5	165.2	0	110.5	N276 N277 K282 K283 S284	N276-K280 PolarHBondContact O-N 3.45Å; N277-K280 WeakPolarHBondContact O-CB 3.49Å; N277-K280 PolarHBondContact O-N 2.83Å; N277-K280 PolarHBondContact OD1-NZ 3.34Å; N277-K280 VanDerWaalsContact OD1-NZ 3.12Å; K280-K282 VanDerWaalsContact C-N 3.29Å; K280-K282 PolarHBondContact O-N 3Å; K280-K283 WeakPolarHBondContact O-CA 3.45Å; K280-K283 WeakPolarHBondContact O-CB 3.34Å; K280-K283 PolarHBondContact O-N 3.15Å; K280-S284 PolarHBondContact O-N 2.95Å; K280-S284 VanDerWaalsContact O-N 3.09Å; K280-S284 PolarHBondContact O-OG 2.92Å
281	D	53.5	Low	56.7	Low	85 Å²	85	100.8 Å²	100.8	46%	0.455	50%	0.495	S	S	.	.	H	α-helix	trans	-59.9	-41.8	-177.8	-41.1	-35.8	0	0	0	111.3	N277 K283 S284 D285	N277-D281 PolarHBondContact O-N 3.5Å; D281-K283 PolarHBondContact O-N 2.94Å; D281-S284 WeakPolarHBondContact CA-OG 3.35Å; D281-S284 PolarHBondContact O-N 2.89Å; D281-S284 PolarHBondContact O-OG 2.93Å; D281-D285 PolarHBondContact O-N 2.9Å; D281-D285 VanDerWaalsContact O-N 3.1Å
282	K	42.1	Very low	54.2	Low	141 Å²	141	106.9 Å²	106.9	61%	0.613	52%	0.522	S	S	*	.	H	α-helix	trans	-65.9	-18.1	174.4	-65.7	-176.6	-176.9	-175.2	0	114.2	K280	K280-K282 VanDerWaalsContact C-N 3.29Å; K280-K282 PolarHBondContact O-N 3Å
283	K	45.2	Very low	51.6	Low	156 Å²	156	112.3 Å²	112.3	68%	0.678	55%	0.545	S	S	*	.	H	α-helix	trans	-91	-27.6	175.2	-80.6	-177.8	175.2	177.6	0	112.8	K280 D281 K287	K280-K283 WeakPolarHBondContact O-CA 3.45Å; K280-K283 WeakPolarHBondContact O-CB 3.34Å; K280-K283 PolarHBondContact O-N 3.15Å; D281-K283 PolarHBondContact O-N 2.94Å; K283-K287 PolarHBondContact O-N 3.42Å
284	S	44.2	Very low	48.9	Very low	57 Å²	57	121 Å²	121	40%	0.399	59%	0.587	S	S	.	*	H	α-helix	trans	-66.8	-49.4	166.5	31.2	0	0	0	0	110.6	K280 D281 Q286 K287 D288	K280-S284 PolarHBondContact O-N 2.95Å; K280-S284 VanDerWaalsContact O-N 3.09Å; K280-S284 PolarHBondContact O-OG 2.92Å; D281-S284 WeakPolarHBondContact CA-OG 3.35Å; D281-S284 PolarHBondContact O-N 2.89Å; D281-S284 PolarHBondContact O-OG 2.93Å; S284-Q286 PolarHBondContact O-N 3.49Å; S284-K287 PolarHBondContact O-N 3.28Å; S284-D288 PolarHBondContact O-N 3.29Å
285	D	40.3	Very low	46.8	Very low	104 Å²	104	124.2 Å²	124.2	56%	0.556	60%	0.601	S	S	*	*	H	α-helix	trans	-57.4	-26.5	179.8	-69	-11	0	0	0	114.3	D281	D281-D285 PolarHBondContact O-N 2.9Å; D281-D285 VanDerWaalsContact O-N 3.1Å
286	Q	40.5	Very low	44.9	Very low	152 Å²	152	127.8 Å²	127.8	71%	0.71	62%	0.616	S	S	*	*	H	α-helix	trans	-88.7	-15.2	175.7	-79.9	-166.5	-45.5	0	0	114.3	S284	S284-Q286 PolarHBondContact O-N 3.49Å
287	K	38.6	Very low	43.4	Very low	164 Å²	164	134.5 Å²	134.5	71%	0.713	64%	0.643	S	S	*	*	H	α-helix	trans	-86.2	-38.6	-179.2	-142.3	178.2	-177.9	-170.7	0	111.5	K283 S284 K290	K283-K287 PolarHBondContact O-N 3.42Å; S284-K287 PolarHBondContact O-N 3.28Å; K287-K290 PolarHBondContact O-N 3.33Å
288	D	40.5	Very low	41.7	Very low	111 Å²	111	137.9 Å²	137.9	59%	0.594	67%	0.667	S	S	*	*	H	α-helix	trans	-71.5	-36.1	-178.1	-59.8	-31	0	0	0	111.9	S284 K290 S291	S284-D288 PolarHBondContact O-N 3.29Å; D288-K290 PolarHBondContact O-N 3.37Å; D288-S291 PolarHBondContact O-N 3.38Å; D288-S291 PolarHBondContact O-OG 3.22Å
289	K	39.8	Very low	40.8	Very low	181 Å²	181	138.7 Å²	138.7	79%	0.787	67%	0.674	S	S	*	*	T	Hydrogen-bonded Turn	trans	-65.2	6.5	172.6	-72.8	-177.3	177.5	173	0	115.5
290	K	38.6	Very low	40.3	Very low	190 Å²	190	140.7 Å²	140.7	83%	0.826	68%	0.684	S	S	*	*	T	Hydrogen-bonded Turn	trans	-118.5	9.1	178.6	-143.2	177.5	-177	-179.1	0	114.3	K287 D288	K287-K290 PolarHBondContact O-N 3.33Å; D288-K290 PolarHBondContact O-N 3.37Å
291	S	37.8	Very low	39.4	Very low	97 Å²	97	144.4 Å²	144.4	68%	0.678	70%	0.7	S	S	*	*	T	Hydrogen-bonded Turn	trans	-112.3	-21.2	177.7	71.5	0	0	0	0	115.1	D288 H293	D288-S291 PolarHBondContact O-N 3.38Å; D288-S291 PolarHBondContact O-OG 3.22Å; S291-H293 PolarHBondContact O-N 3.18Å
292	E	35.5	Very low	38.5	Very low	180 Å²	180	147 Å²	147	84%	0.841	71%	0.713	S	S	*	*			trans	-82.4	80.6	178.4	-67.2	-173.8	139.3	0	0	112.2
293	H	33.4	Very low	38.5	Very low	180 Å²	180	150.7 Å²	150.7	83%	0.833	73%	0.73	S	S	*	*			trans	-147.5	44.3	168.9	-142.2	-20.3	0	0	0	115.3	S291	S291-H293 PolarHBondContact O-N 3.18Å
294	M	33.6	Very low	37.9	Very low	181 Å²	181	152.2 Å²	152.2	89%	0.892	74%	0.736	S	S	*	*			trans	-140.1	145.9	156.7	-75.9	-157	179.4	0	0	112.8
295	D	39.9	Very low	37.4	Very low	121 Å²	121	153.4 Å²	153.4	65%	0.647	74%	0.744	S	S	*	*			trans	76.9	102.7	163.3	-74	-41.6	0	0	0	123
296	K	38.5	Very low	37.2	Very low	175 Å²	175	155.8 Å²	155.8	76%	0.761	75%	0.752	S	S	*	*				76.7	80.2	125.7	-64.7	172.6	-177.2	112.5	0	120.8
297	K	37.8	Very low	37	Very low	196 Å²	196	156 Å²	156	85%	0.852	75%	0.753	S	S	*	*				48.2	102.8	108.3	-162.5	175.4	-173.4	-177.4	0	119.3
298	S	32.6	Very low	36.8	Very low	84 Å²	84	155.5 Å²	155.5	59%	0.587	76%	0.755	S	S	*	*			trans	34	133.6	141.1	77	0	0	0	0	120
299	D	38.6	Very low	36.5	Very low	142 Å²	142	156.5 Å²	156.5	76%	0.759	76%	0.761	S	S	*	*				-170	170.1	63.5	-100.5	-60.2	0	0	0	115.5
300	Q	39.8	Very low	36.3	Very low	167 Å²	167	156.4 Å²	156.4	78%	0.78	77%	0.769	S	S	*	*			trans	82.6	102.9	158.7	-80.6	-174.1	-110.8	0	0	123.8
301	K	36.3	Very low	35.9	Very low	168 Å²	168	155.1 Å²	155.1	73%	0.73	76%	0.763	S	S	*	*				69.4	110.5	118.9	-78.2	-169	165.7	177.1	0	122.5
302	D	35.5	Very low	35.8	Very low	139 Å²	139	156.1 Å²	156.1	74%	0.743	77%	0.77	S	S	*	*				48.5	109.1	118.5	-50.6	-27	0	0	0	120.2
303	K	41	Very low	35.5	Very low	219 Å²	219	153.8 Å²	153.8	95%	0.952	76%	0.763	S	S	*	*				-158.4	158.7	117.7	-111.3	166.2	-173.6	179.6	0	113.9
304	K	33.1	Very low	35.6	Very low	189 Å²	189	152.8 Å²	152.8	82%	0.822	76%	0.759	S	S	*	*			trans	-120.2	137.9	-162.5	163.6	-166.5	177.4	-171.3	0	109.6
305	S	34.2	Very low	35.4	Very low	81 Å²	81	152.1 Å²	152.1	57%	0.566	75%	0.751	S	S	*	*				170.9	148.9	126.8	-112.5	0	0	0	0	113.2
306	E	35.3	Very low	35.3	Very low	155 Å²	155	152.4 Å²	152.4	72%	0.724	75%	0.753	S	S	*	*			trans	30.7	144.1	139.6	-65.4	135.2	179.4	0	0	119.7
307	Q	35.5	Very low	35.2	Very low	157 Å²	157	150.4 Å²	150.4	73%	0.734	75%	0.751	S	S	*	*			cis	-167.3	173.3	12.8	-125.6	170.5	-97.3	0	0	106.9
308	M	36.3	Very low	35	Very low	152 Å²	152	148 Å²	148	75%	0.749	74%	0.74	S	S	*	*			cis	-153.2	179.7	0.6	-160.2	164.6	-172.6	0	0	109.1
309	D	32.6	Very low	35.5	Very low	133 Å²	133	148.4 Å²	148.4	71%	0.711	74%	0.741	S	S	*	*			trans	-67.5	149.2	-179	-51.4	-94.5	0	0	0	116.3
310	N	36.7	Very low	35.8	Very low	178 Å²	178	147.5 Å²	147.5	95%	0.952	73%	0.733	S	S	*	*			trans	-150.7	124.8	135.6	-109.9	-31.8	0	0	0	110.1
311	K	29.9	Very low	36	Very low	163 Å²	163	146.2 Å²	146.2	71%	0.709	73%	0.725	S	S	*	*			trans	-123	111.4	-164.7	-179	-176.8	176	-172.1	0	110.1	D313	K311-D313 WeakPolarHBondContact CE-OD1 3.36Å; K311-D313 IonicContact NZ-OD1 3.86Å
312	S	34.7	Very low	36.8	Very low	118 Å²	118	144.3 Å²	144.3	83%	0.825	72%	0.723	S	S	*	*			trans	-105.9	112.7	166.5	55.4	0	0	0	0	109.6	Q314	S312-Q314 PolarHBondContact O-N 3.36Å; S312-Q314 VanDerWaalsContact O-N 3.08Å
313	D	30.9	Very low	37.6	Very low	131 Å²	131	143.9 Å²	143.9	70%	0.701	71%	0.712	S	S	*	*			trans	-74.8	92.8	-176.4	-73.5	-58.9	0	0	0	112.2	K311 K315	K311-D313 WeakPolarHBondContact CE-OD1 3.36Å; K311-D313 IonicContact NZ-OD1 3.86Å; D313-K315 PolarHBondContact O-N 3.27Å
314	Q	34.5	Very low	38.3	Very low	159 Å²	159	137.6 Å²	137.6	74%	0.743	69%	0.688	S	S	*	*			trans	-88.3	93.1	160.7	-170.9	173	-36.6	0	0	110	S312 D316	S312-Q314 PolarHBondContact O-N 3.36Å; S312-Q314 VanDerWaalsContact O-N 3.08Å; Q314-D316 PolarHBondContact NE2-OD1 3.5Å; Q314-D316 PolarHBondContact O-N 2.95Å; Q314-D316 VanDerWaalsContact O-N 3.15Å
315	K	30.6	Very low	39.7	Very low	167 Å²	167	137.3 Å²	137.3	73%	0.726	68%	0.683	S	S	*	*			trans	-84.8	82.4	-179.7	-169.5	177.1	-177	175	0	111.1	D313 N317	D313-K315 PolarHBondContact O-N 3.27Å; K315-N317 VanDerWaalsContact C-N 3.34Å; K315-N317 PolarHBondContact O-N 2.95Å
316	D	36.5	Very low	41.1	Very low	128 Å²	128	137.4 Å²	137.4	68%	0.684	68%	0.68	S	S	*	*			trans	-66.4	85.8	176.9	-73.2	-24.6	0	0	0	112.4	Q314 K318	Q314-D316 PolarHBondContact NE2-OD1 3.5Å; Q314-D316 PolarHBondContact O-N 2.95Å; Q314-D316 VanDerWaalsContact O-N 3.15Å; D316-K318 VanDerWaalsContact C-N 3.27Å; D316-K318 PolarHBondContact O-N 3.05Å
317	N	35.8	Very low	42.6	Very low	133 Å²	133	133.4 Å²	133.4	71%	0.711	66%	0.664	S	S	*	*			trans	-74.6	74.6	175.7	-86.6	-17.7	0	0	0	112.2	K315	K315-N317 VanDerWaalsContact C-N 3.34Å; K315-N317 PolarHBondContact O-N 2.95Å
318	K	33.9	Very low	44.4	Very low	146 Å²	146	130.2 Å²	130.2	64%	0.635	65%	0.651	S	S	*	*			trans	7.6	97.5	150	-165.5	177	-171.1	177.2	0	116.7	D316 M320	D316-K318 VanDerWaalsContact C-N 3.27Å; D316-K318 PolarHBondContact O-N 3.05Å; K318-M320 HydrophobicContact CG-CB 4.07Å; K318-M320 PolarHBondContact O-N 3.4Å
319	P	44.5	Very low	46.2	Very low	92 Å²	92	126.7 Å²	126.7	60%	0.597	64%	0.639	S	S	*	*	T	Hydrogen-bonded Turn	trans	-76.5	13.1	-178	31.5	-36.8	0	0	0	115.2	F321	P319-F321 PolarHBondContact O-N 3.03Å; P319-F321 VanDerWaalsContact O-N 3.15Å
320	M	43.3	Very low	48.1	Very low	123 Å²	123	122.8 Å²	122.8	61%	0.606	62%	0.622	S	S	*	*	H	α-helix	trans	-67.7	-18.2	-168.4	-153.8	175.9	-153.4	0	0	114.3	K318	K318-M320 HydrophobicContact CG-CB 4.07Å; K318-M320 PolarHBondContact O-N 3.4Å
321	F	44.2	Very low	50.1	Low	140 Å²	140	118 Å²	118	61%	0.614	60%	0.599	S	S	*	*	H	α-helix	trans	-76.2	-34.8	-174.8	-79.9	-79.7	0	0	0	114.6	P319 Y323 L324 Y325	P319-F321 PolarHBondContact O-N 3.03Å; P319-F321 VanDerWaalsContact O-N 3.15Å; F321-Y323 VanDerWaalsContact C-N 3.31Å; F321-Y323 PolarHBondContact O-N 3.15Å; F321-L324 PolarHBondContact O-N 3.44Å; F321-Y325 PolarHBondContact O-N 3.01Å
322	N	53.2	Low	52.5	Low	127 Å²	127	114.6 Å²	114.6	68%	0.679	59%	0.588	S	S	*	*	H	α-helix	trans	-66.1	-34.3	-177	-75.8	3.8	0	0	0	112.3	Y325 V326	N322-Y325 PolarHBondContact O-N 3.42Å; N322-V326 PolarHBondContact O-N 3.23Å
323	Y	51.8	Low	54.7	Low	130 Å²	130	110.4 Å²	110.4	51%	0.51	56%	0.564	S	S	.	*	H	α-helix	trans	-66.8	-39.9	177.5	-169.4	-112	0	0	0	112.2	F321 L327	F321-Y323 VanDerWaalsContact C-N 3.31Å; F321-Y323 PolarHBondContact O-N 3.15Å; Y323-L327 HydrophobicContact CD1-CD1 3.81Å; Y323-L327 HydrophobicContact CD2-CD1 4.5Å; Y323-L327 HydrophobicContact CE1-CD1 3.22Å; Y323-L327 HydrophobicContact CE2-CD1 4.01Å; Y323-L327 HydrophobicContact CG-CD1 4.41Å; Y323-L327 WeakPolarHBondContact O-CB 3.36Å; Y323-L327 PolarHBondContact O-N 2.99Å; Y323-L327 VanDerWaalsContact O-N 3.15Å
324	L	57.7	Low	57	Low	87 Å²	87	108.2 Å²	108.2	46%	0.455	55%	0.551	S	S	.	*	H	α-helix	trans	-62.8	-43.5	174.4	-94.8	79.2	0	0	0	111.6	F321 V326 L327 I328	F321-L324 PolarHBondContact O-N 3.44Å; L324-V326 PolarHBondContact O-N 3.13Å; L324-L327 PolarHBondContact O-N 3.11Å; L324-I328 HydrophobicContact CB-CD1 4.05Å; L324-I328 HydrophobicContact CD2-CD1 4.15Å; L324-I328 HydrophobicContact CG-CD1 4.18Å; L324-I328 WeakPolarHBondContact O-CB 3.49Å; L324-I328 VanDerWaalsContact O-CG1 3.28Å; L324-I328 WeakPolarHBondContact O-CG1 3.05Å; L324-I328 PolarHBondContact O-N 2.95Å
325	Y	61.7	Low	59.4	Low	183 Å²	183	104.6 Å²	104.6	72%	0.718	54%	0.54	S	S	*	.	H	α-helix	trans	-62.8	-25.5	-176.6	-105.1	-82.6	0	0	0	114.4	F321 N322 P329	F321-Y325 PolarHBondContact O-N 3.01Å; N322-Y325 PolarHBondContact O-N 3.42Å; Y325-P329 WeakPolarHBondContact O-CD 3.28Å; Y325-P329 VanDerWaalsContact O-CG 3.25Å; Y325-P329 WeakPolarHBondContact O-CG 3.25Å
326	V	62.8	Low	62	Low	83 Å²	83	102.1 Å²	102.1	50%	0.503	53%	0.534	S	S	.	.	H	α-helix	trans	-94.9	-38	178	-178.8	0	0	0	0	111.9	I24 N322 L324 S330	I24-V326 HydrophobicContact CD1-CG1 3.89Å; N322-V326 PolarHBondContact O-N 3.23Å; L324-V326 PolarHBondContact O-N 3.13Å; V326-S330 PolarHBondContact O-N 3.48Å
327	L	66.6	Low	64.3	Low	72 Å²	72	100.3 Å²	100.3	38%	0.377	53%	0.527	S	S	.	.	H	α-helix	trans	-69.4	-41.9	179	-103.8	166.9	0	0	0	113.2	Y323 L324 S330 V331	Y323-L327 HydrophobicContact CD1-CD1 3.81Å; Y323-L327 HydrophobicContact CD2-CD1 4.5Å; Y323-L327 HydrophobicContact CE1-CD1 3.22Å; Y323-L327 HydrophobicContact CE2-CD1 4.01Å; Y323-L327 HydrophobicContact CG-CD1 4.41Å; Y323-L327 WeakPolarHBondContact O-CB 3.36Å; Y323-L327 PolarHBondContact O-N 2.99Å; Y323-L327 VanDerWaalsContact O-N 3.15Å; L324-L327 PolarHBondContact O-N 3.11Å; L327-S330 PolarHBondContact O-N 3.03Å; L327-V331 HydrophobicContact CD2-CG2 4.09Å; L327-V331 WeakPolarHBondContact O-CG2 3.41Å; L327-V331 PolarHBondContact O-N 3.4Å
328	I	73.2	Confident	66.5	Low	90 Å²	90	97.4 Å²	97.4	46%	0.462	52%	0.516	S	S	.	.	H	α-helix	trans	-61.2	-50.3	-174.5	-69.6	168.1	0	0	0	111.1	L324 S330 V331 I332	L324-I328 HydrophobicContact CB-CD1 4.05Å; L324-I328 HydrophobicContact CD2-CD1 4.15Å; L324-I328 HydrophobicContact CG-CD1 4.18Å; L324-I328 WeakPolarHBondContact O-CB 3.49Å; L324-I328 VanDerWaalsContact O-CG1 3.28Å; L324-I328 WeakPolarHBondContact O-CG1 3.05Å; L324-I328 PolarHBondContact O-N 2.95Å; I328-S330 VanDerWaalsContact C-N 3.34Å; I328-S330 PolarHBondContact O-N 3.46Å; I328-V331 PolarHBondContact O-N 2.86Å; I328-I332 HydrophobicContact CG2-CD1 3.6Å; I328-I332 HydrophobicContact CG2-CG1 4.44Å; I328-I332 WeakPolarHBondContact O-CB 3.34Å; I328-I332 WeakPolarHBondContact O-CD1 3.21Å; I328-I332 WeakPolarHBondContact O-CG1 3.49Å; I328-I332 PolarHBondContact O-N 3.23Å
329	P	74.8	Confident	69	Low	77 Å²	77	94 Å²	94	50%	0.5	51%	0.508	S	S	.	.	H	α-helix	trans	-62.4	-36.3	175	-24.2	35.7	0	0	0	113.8	Y325 I332 G333	Y325-P329 WeakPolarHBondContact O-CD 3.28Å; Y325-P329 VanDerWaalsContact O-CG 3.25Å; Y325-P329 WeakPolarHBondContact O-CG 3.25Å; P329-I332 PolarHBondContact O-N 3.34Å; P329-G333 PolarHBondContact O-N 3.46Å
330	S	73.4	Confident	70.9	Confident	51 Å²	51	91.6 Å²	91.6	36%	0.357	50%	0.5	S	S	.	.	H	α-helix	trans	-65.6	-45.3	178.5	-178	0	0	0	0	112.1	V326 L327 I328 G333 L334	V326-S330 PolarHBondContact O-N 3.48Å; L327-S330 PolarHBondContact O-N 3.03Å; I328-S330 VanDerWaalsContact C-N 3.34Å; I328-S330 PolarHBondContact O-N 3.46Å; S330-G333 PolarHBondContact O-N 3.48Å; S330-L334 PolarHBondContact O-N 2.94Å
331	V	78	Confident	72.8	Confident	77 Å²	77	91 Å²	91	47%	0.467	49%	0.494	S	S	.	.	H	α-helix	trans	-66.5	-42.4	176	174.2	0	0	0	0	110.9	L327 I328 G333 L334 V335	L327-V331 HydrophobicContact CD2-CG2 4.09Å; L327-V331 WeakPolarHBondContact O-CG2 3.41Å; L327-V331 PolarHBondContact O-N 3.4Å; I328-V331 PolarHBondContact O-N 2.86Å; V331-G333 PolarHBondContact O-N 3.42Å; V331-L334 PolarHBondContact O-N 2.9Å; V331-V335 WeakPolarHBondContact O-CG2 3.41Å; V331-V335 PolarHBondContact O-N 3.4Å
332	I	80.9	Confident	74.7	Confident	92 Å²	92	89.4 Å²	89.4	47%	0.472	49%	0.491	S	S	.	.	H	α-helix	trans	-60.1	-45.6	174.9	-70.3	167.5	0	0	0	110.8	I328 P329 L334 V335 L336	I328-I332 HydrophobicContact CG2-CD1 3.6Å; I328-I332 HydrophobicContact CG2-CG1 4.44Å; I328-I332 WeakPolarHBondContact O-CB 3.34Å; I328-I332 WeakPolarHBondContact O-CD1 3.21Å; I328-I332 WeakPolarHBondContact O-CG1 3.49Å; I328-I332 PolarHBondContact O-N 3.23Å; P329-I332 PolarHBondContact O-N 3.34Å; I332-L334 PolarHBondContact O-N 3.31Å; I332-V335 PolarHBondContact O-N 3.32Å; I332-L336 HydrophobicContact CG2-CD1 3.88Å; I332-L336 HydrophobicContact CG2-CG 4.32Å; I332-L336 WeakPolarHBondContact O-CG 3.38Å; I332-L336 PolarHBondContact O-N 3.41Å
333	G	79.7	Confident	76.2	Confident	31 Å²	31	87.2 Å²	87.2	32%	0.32	48%	0.482	S	S	.	.	H	α-helix	trans	-59.1	-45.3	177	0	0	0	0	0	112.8	P329 S330 V331 L336 V337	P329-G333 PolarHBondContact O-N 3.46Å; S330-G333 PolarHBondContact O-N 3.48Å; V331-G333 PolarHBondContact O-N 3.42Å; G333-L336 PolarHBondContact O-N 3Å; G333-V337 WeakPolarHBondContact O-CG2 3.32Å; G333-V337 PolarHBondContact O-N 3.23Å
334	L	80.9	Confident	77.8	Confident	85 Å²	85	89.1 Å²	89.1	45%	0.445	49%	0.488	S	S	.	.	H	α-helix	trans	-60.7	-44.3	174.2	-90.9	164.8	0	0	0	112.5	S330 V331 I332 V337 C338	S330-L334 PolarHBondContact O-N 2.94Å; V331-L334 PolarHBondContact O-N 2.9Å; I332-L334 PolarHBondContact O-N 3.31Å; L334-V337 PolarHBondContact O-N 2.98Å; L334-C338 WeakPolarHBondContact O-CB 3.33Å; L334-C338 PolarHBondContact O-N 3.34Å; L334-C338 PolarHBondContact O-SG 2.92Å
335	V	83.1	Confident	78.8	Confident	82 Å²	82	90.8 Å²	90.8	50%	0.497	49%	0.492	S	S	.	.	H	α-helix	trans	-62.3	-43.6	176.9	171	0	0	0	0	111.1	V331 I332 C338 V339	V331-V335 WeakPolarHBondContact O-CG2 3.41Å; V331-V335 PolarHBondContact O-N 3.4Å; I332-V335 PolarHBondContact O-N 3.32Å; V335-C338 PolarHBondContact O-N 2.9Å; V335-V339 HydrophobicContact CG1-CG2 4.34Å; V335-V339 VanDerWaalsContact O-CG2 3.32Å; V335-V339 WeakPolarHBondContact O-CG2 3.45Å; V335-V339 PolarHBondContact O-N 3.47Å
336	L	85	Confident	79.6	Confident	116 Å²	116	89.8 Å²	89.8	61%	0.607	49%	0.487	S	S	*	.	H	α-helix	trans	-63.6	-41.8	178.1	-71.1	172.4	0	0	0	112.5	I332 G333 V339 G340	I332-L336 HydrophobicContact CG2-CD1 3.88Å; I332-L336 HydrophobicContact CG2-CG 4.32Å; I332-L336 WeakPolarHBondContact O-CG 3.38Å; I332-L336 PolarHBondContact O-N 3.41Å; G333-L336 PolarHBondContact O-N 3Å; L336-V339 PolarHBondContact O-N 3.2Å; L336-G340 PolarHBondContact O-N 3.42Å
337	V	84.8	Confident	80.5	Confident	90 Å²	90	90.9 Å²	90.9	55%	0.545	49%	0.489	S	S	.	.	H	α-helix	trans	-63.4	-44.4	174.8	171.8	0	0	0	0	111	G333 L334 G340 F341	G333-V337 WeakPolarHBondContact O-CG2 3.32Å; G333-V337 PolarHBondContact O-N 3.23Å; L334-V337 PolarHBondContact O-N 2.98Å; V337-G340 PolarHBondContact O-N 3.36Å; V337-F341 HydrophobicContact CG1-CD2 4.13Å; V337-F341 HydrophobicContact CG1-CE2 4.45Å; V337-F341 PolarHBondContact O-N 3.45Å
338	C	82.7	Confident	81	Confident	71 Å²	71	90.2 Å²	90.2	48%	0.48	49%	0.491	S	S	.	.	H	α-helix	trans	-62	-43.9	176.3	-73.4	0	0	0	0	112.5	L334 V335 F341 I342	L334-C338 WeakPolarHBondContact O-CB 3.33Å; L334-C338 PolarHBondContact O-N 3.34Å; L334-C338 PolarHBondContact O-SG 2.92Å; V335-C338 PolarHBondContact O-N 2.9Å; C338-F341 PolarHBondContact O-N 3.34Å; C338-I342 VanDerWaalsContact O-CG1 3.28Å; C338-I342 WeakPolarHBondContact O-CG1 3.47Å; C338-I342 PolarHBondContact O-N 3.43Å
339	V	86.6	Confident	81	Confident	76 Å²	76	93.7 Å²	93.7	46%	0.461	50%	0.503	S	S	.	.	H	α-helix	trans	-63.9	-43.7	175.9	171	0	0	0	0	110.9	V335 L336 F341 I342 V343	V335-V339 HydrophobicContact CG1-CG2 4.34Å; V335-V339 VanDerWaalsContact O-CG2 3.32Å; V335-V339 WeakPolarHBondContact O-CG2 3.45Å; V335-V339 PolarHBondContact O-N 3.47Å; L336-V339 PolarHBondContact O-N 3.2Å; V339-F341 VanDerWaalsContact C-N 3.34Å; V339-F341 PolarHBondContact O-N 2.89Å; V339-I342 PolarHBondContact O-N 3.26Å; V339-V343 HydrophobicContact CG1-CG2 4.35Å; V339-V343 WeakPolarHBondContact O-CG2 3.26Å; V339-V343 PolarHBondContact O-N 2.97Å
340	G	84.3	Confident	80.6	Confident	41 Å²	41	99.5 Å²	99.5	42%	0.423	52%	0.515	S	S	.	.	H	α-helix	trans	-57.5	-44.2	174.8	0	0	0	0	0	112.6	L336 V337 V343 W344	L336-G340 PolarHBondContact O-N 3.42Å; V337-G340 PolarHBondContact O-N 3.36Å; G340-V343 PolarHBondContact O-N 2.95Å; G340-W344 WeakPolarHBondContact O-CB 3.38Å; G340-W344 PolarHBondContact O-N 3.11Å
341	F	83.5	Confident	79.7	Confident	110 Å²	110	108.1 Å²	108.1	48%	0.482	55%	0.549	S	S	.	.	H	α-helix	trans	-62.9	-42.8	174.1	-103.4	-83.9	0	0	0	113.1	V337 C338 V339 W344 F345	V337-F341 HydrophobicContact CG1-CD2 4.13Å; V337-F341 HydrophobicContact CG1-CE2 4.45Å; V337-F341 PolarHBondContact O-N 3.45Å; C338-F341 PolarHBondContact O-N 3.34Å; V339-F341 VanDerWaalsContact C-N 3.34Å; V339-F341 PolarHBondContact O-N 2.89Å; F341-W344 HydrophobicContact CD1-CE3 4.08Å; F341-W344 HydrophobicContact CD1-CZ3 4.32Å; F341-W344 HydrophobicContact CE1-CE3 4.08Å; F341-W344 AromaticContact CE1-CZ3 3.9Å; F341-W344 HydrophobicContact CE1-CZ3 3.9Å; F341-W344 PolarHBondContact O-N 2.91Å; F341-F345 VanDerWaalsContact O-CB 3.26Å; F341-F345 WeakPolarHBondContact O-CB 3.28Å; F341-F345 PolarHBondContact O-N 2.88Å
342	I	84.6	Confident	79.8	Confident	107 Å²	107	109.7 Å²	109.7	55%	0.549	55%	0.553	S	S	.	*	H	α-helix	trans	-64	-43.3	178.1	-69.4	163.4	0	0	0	110.8	C338 V339 W346	C338-I342 VanDerWaalsContact O-CG1 3.28Å; C338-I342 WeakPolarHBondContact O-CG1 3.47Å; C338-I342 PolarHBondContact O-N 3.43Å; V339-I342 PolarHBondContact O-N 3.26Å; I342-W346 WeakPolarHBondContact O-CB 3.36Å; I342-W346 PolarHBondContact O-N 3.2Å
343	V	84.7	Confident	79.8	Confident	80 Å²	80	110.6 Å²	110.6	49%	0.485	56%	0.558	S	S	.	*	H	α-helix	trans	-65.7	-46.1	177.3	172.2	0	0	0	0	111	V339 G340 F345 W346 L347	V339-V343 HydrophobicContact CG1-CG2 4.35Å; V339-V343 WeakPolarHBondContact O-CG2 3.26Å; V339-V343 PolarHBondContact O-N 2.97Å; G340-V343 PolarHBondContact O-N 2.95Å; V343-F345 PolarHBondContact O-N 3.42Å; V343-W346 PolarHBondContact O-N 3.46Å; V343-L347 HydrophobicContact CG1-CD1 4Å; V343-L347 WeakPolarHBondContact O-CG 3.33Å; V343-L347 PolarHBondContact O-N 3.44Å
344	W	84.1	Confident	79.8	Confident	170 Å²	170	115 Å²	115	64%	0.644	57%	0.571	S	S	*	*	H	α-helix	trans	-60.1	-45	177	178.9	53.9	0	0	0	112	G340 F341 W346 L347 S348	G340-W344 WeakPolarHBondContact O-CB 3.38Å; G340-W344 PolarHBondContact O-N 3.11Å; F341-W344 HydrophobicContact CD1-CE3 4.08Å; F341-W344 HydrophobicContact CD1-CZ3 4.32Å; F341-W344 HydrophobicContact CE1-CE3 4.08Å; F341-W344 AromaticContact CE1-CZ3 3.9Å; F341-W344 HydrophobicContact CE1-CZ3 3.9Å; F341-W344 PolarHBondContact O-N 2.91Å; W344-W346 VanDerWaalsContact C-N 3.32Å; W344-W346 PolarHBondContact O-N 3.21Å; W344-L347 PolarHBondContact O-N 2.99Å; W344-S348 WeakPolarHBondContact O-CB 3.46Å; W344-S348 PolarHBondContact O-N 2.9Å; W344-S348 PolarHBondContact O-OG 2.96Å
345	F	78.4	Confident	79.7	Confident	122 Å²	122	116.8 Å²	116.8	54%	0.535	58%	0.578	S	S	.	*	H	α-helix	trans	-63.7	-34.6	176	-174.1	-98.9	0	0	0	113	F341 V343 S348	F341-F345 VanDerWaalsContact O-CB 3.26Å; F341-F345 WeakPolarHBondContact O-CB 3.28Å; F341-F345 PolarHBondContact O-N 2.88Å; V343-F345 PolarHBondContact O-N 3.42Å; F345-S348 PolarHBondContact O-OG 3.06Å; F345-S348 VanDerWaalsContact O-OG 3.11Å
346	W	80	Confident	79.5	Confident	162 Å²	162	118.9 Å²	118.9	61%	0.614	58%	0.583	S	S	*	*	H	α-helix	trans	-68.5	-38.7	173.6	-111	86.9	0	0	0	112.8	I342 V343 W344	I342-W346 WeakPolarHBondContact O-CB 3.36Å; I342-W346 PolarHBondContact O-N 3.2Å; V343-W346 PolarHBondContact O-N 3.46Å; W344-W346 VanDerWaalsContact C-N 3.32Å; W344-W346 PolarHBondContact O-N 3.21Å
347	L	81	Confident	79.1	Confident	106 Å²	106	119.1 Å²	119.1	56%	0.555	58%	0.582	S	S	*	*	H	α-helix	trans	-70.7	-43.1	177	-69.9	170.7	0	0	0	111.5	V343 W344 K349 R350	V343-L347 HydrophobicContact CG1-CD1 4Å; V343-L347 WeakPolarHBondContact O-CG 3.33Å; V343-L347 PolarHBondContact O-N 3.44Å; W344-L347 PolarHBondContact O-N 2.99Å; L347-K349 PolarHBondContact O-N 3.06Å; L347-R350 PolarHBondContact O-N 2.87Å
348	S	76.7	Confident	78.7	Confident	59 Å²	59	121.2 Å²	121.2	41%	0.413	58%	0.584	S	S	.	*	T	Hydrogen-bonded Turn	trans	-66.2	-8.6	179.1	73.2	0	0	0	0	114.3	W344 F345	W344-S348 WeakPolarHBondContact O-CB 3.46Å; W344-S348 PolarHBondContact O-N 2.9Å; W344-S348 PolarHBondContact O-OG 2.96Å; F345-S348 PolarHBondContact O-OG 3.06Å; F345-S348 VanDerWaalsContact O-OG 3.11Å
349	K	73	Confident	78.4	Confident	163 Å²	163	125.1 Å²	125.1	71%	0.709	59%	0.592	S	S	*	*	T	Hydrogen-bonded Turn	trans	-106.4	3.1	178	-154.4	-174.7	177.5	-170.9	0	112.9	L347	L347-K349 PolarHBondContact O-N 3.06Å
350	R	67.8	Low	77.7	Confident	199 Å²	199	129.2 Å²	129.2	75%	0.751	60%	0.603	S	S	*	*	T	Hydrogen-bonded Turn	trans	-109	-9.2	173.6	-83.8	-173.5	169.8	-172.5	-2.3	113.4	L347	L347-R350 PolarHBondContact O-N 2.87Å
351	Q	54.7	Low	77.1	Confident	231 Å²	231	137.2 Å²	137.2	100%	1.079	62%	0.62	S	S	*	*			trans	-91	0	158.6	-68.6	-178	-38.1	0	0	108.9

Retrieved 351 of 351 residues in 129.5 ms (Link to these results)

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