A0A5K4FDW1_SCHMA Loading...

Egg protein CP391S-like protein AlphaSync

AlphaFold DB , UniProt , Accession A0A5K4FDW1, Species SCHMA (Schistosoma mansoni, Blood fluke), Gene n/a, Length 382 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	Very low	53.8	Low	213 Å²	213	128.6 Å²	128.6	100%	1.049	64%	0.642	S	S	*	*				0	119.7	0	-84.6	171.6	168.9	0	0	107.3	Y3	M1-Y3 HydrophobicContact CB-CD2 4.45Å; M1-Y3 PolarHBondContact O-N 2.87Å; M1-Y3 VanDerWaalsContact O-N 3.12Å
2	R	45.7	Very low	55.6	Low	245 Å²	245	122.9 Å²	122.9	93%	0.925	62%	0.624	S	S	*	*			trans	-73.8	100.4	168	-71.6	-177	179.3	-179.3	-0.9	106.5	N4	R2-N4 PolarHBondContact O-N 3.49Å
3	Y	49.6	Very low	57.1	Low	198 Å²	198	118.5 Å²	118.5	78%	0.776	60%	0.602	S	S	*	*			trans	-66.3	102.1	171	-98.5	-90.5	0	0	0	107.2	M1 I5	M1-Y3 HydrophobicContact CB-CD2 4.45Å; M1-Y3 PolarHBondContact O-N 2.87Å; M1-Y3 VanDerWaalsContact O-N 3.12Å; Y3-I5 VanDerWaalsContact C-N 3.28Å; Y3-I5 PolarHBondContact O-N 3.3Å
4	N	47.1	Very low	58.5	Low	154 Å²	154	119.4 Å²	119.4	82%	0.824	60%	0.6	S	S	*	*			trans	-65.6	98	163.2	-84.4	-21.2	0	0	0	106.3	R2 S6	R2-N4 PolarHBondContact O-N 3.49Å; N4-S6 PolarHBondContact O-N 3.31Å
5	I	50	Low	59.7	Low	87 Å²	87	118.7 Å²	118.7	45%	0.446	60%	0.598	S	S	.	*			trans	-59.5	107.7	169.2	-62.7	172.3	0	0	0	105.4	Y3 S7 L9 F381	Y3-I5 VanDerWaalsContact C-N 3.28Å; Y3-I5 PolarHBondContact O-N 3.3Å; I5-S7 PolarHBondContact O-N 3.39Å; I5-L9 HydrophobicContact CG2-CB 3.76Å; I5-F381 HydrophobicContact CD1-CD1 4.1Å; I5-F381 HydrophobicContact CD1-CE1 4.24Å
6	S	53.9	Low	60.8	Low	62 Å²	62	116.6 Å²	116.6	43%	0.434	59%	0.588	S	S	.	*			trans	-48.6	129.8	167.3	162.7	0	0	0	0	107.3	N4 N8 L9	N4-S6 PolarHBondContact O-N 3.31Å; S6-N8 PolarHBondContact O-N 3.42Å; S6-L9 WeakPolarHBondContact O-CB 3.38Å; S6-L9 PolarHBondContact O-N 3.12Å
7	S	59.2	Low	61.7	Low	80 Å²	80	113.2 Å²	113.2	56%	0.559	58%	0.575	S	S	*	*	H	α-helix	trans	-49.2	-29.5	-175.2	59.3	0	0	0	0	112.7	I5 L9 S10 I11	I5-S7 PolarHBondContact O-N 3.39Å; S7-L9 PolarHBondContact O-N 3.39Å; S7-S10 PolarHBondContact O-N 3.24Å; S7-I11 WeakPolarHBondContact O-CD1 3.34Å; S7-I11 VanDerWaalsContact O-CG1 3.26Å; S7-I11 WeakPolarHBondContact O-CG1 3.31Å; S7-I11 PolarHBondContact O-N 3.43Å
8	N	56.1	Low	62.1	Low	115 Å²	115	111.9 Å²	111.9	62%	0.615	57%	0.568	S	S	*	*	H	α-helix	trans	-63.2	-36.3	176.3	-65.1	-15.3	0	0	0	113.8	S6 S12	S6-N8 PolarHBondContact O-N 3.42Å; N8-S12 WeakPolarHBondContact O-CB 3.4Å; N8-S12 PolarHBondContact O-N 2.66Å
9	L	55.2	Low	62.3	Low	120 Å²	120	115.7 Å²	115.7	63%	0.628	58%	0.575	S	S	*	*	H	α-helix	trans	-71.4	-39.6	177.2	-92.2	144.5	0	0	0	111.7	I5 S6 S7 S12 L13	I5-L9 HydrophobicContact CG2-CB 3.76Å; S6-L9 WeakPolarHBondContact O-CB 3.38Å; S6-L9 PolarHBondContact O-N 3.12Å; S7-L9 PolarHBondContact O-N 3.39Å; L9-S12 PolarHBondContact O-N 3.47Å; L9-L13 WeakPolarHBondContact O-CB 3.38Å; L9-L13 PolarHBondContact O-N 3.25Å
10	S	64.4	Low	62.4	Low	47 Å²	47	113.2 Å²	113.2	33%	0.329	56%	0.564	S	S	.	*	H	α-helix	trans	-63	-48.5	175.3	178.7	0	0	0	0	110.8	S7 S12 L13 F14	S7-S10 PolarHBondContact O-N 3.24Å; S10-S12 VanDerWaalsContact C-N 3.33Å; S10-S12 PolarHBondContact O-N 2.94Å; S10-L13 PolarHBondContact O-N 3.01Å; S10-L13 VanDerWaalsContact O-N 3.17Å; S10-F14 WeakPolarHBondContact O-CD2 3.34Å; S10-F14 PolarHBondContact O-N 3.21Å; S10-F14 WeakPolarHBondContact OG-CE2 3.14Å
11	I	70.1	Confident	62.5	Low	94 Å²	94	114 Å²	114	48%	0.482	56%	0.561	S	S	.	*	H	α-helix	trans	-59.8	-44.1	177.6	-65.2	162.9	0	0	0	110.9	S7 L13 F14 L15	S7-I11 WeakPolarHBondContact O-CD1 3.34Å; S7-I11 VanDerWaalsContact O-CG1 3.26Å; S7-I11 WeakPolarHBondContact O-CG1 3.31Å; S7-I11 PolarHBondContact O-N 3.43Å; I11-L13 VanDerWaalsContact C-N 3.33Å; I11-L13 PolarHBondContact O-N 3.47Å; I11-F14 PolarHBondContact O-N 2.99Å; I11-L15 HydrophobicContact CG2-CD1 4.06Å; I11-L15 HydrophobicContact CG2-CG 4.41Å; I11-L15 VanDerWaalsContact O-CG 3.31Å; I11-L15 WeakPolarHBondContact O-CG 3.38Å; I11-L15 PolarHBondContact O-N 3.41Å
12	S	76	Confident	63.3	Low	60 Å²	60	112.9 Å²	112.9	42%	0.42	55%	0.545	S	S	.	.	H	α-helix	trans	-60.9	-41.6	177.4	-170.5	0	0	0	0	112.1	N8 L9 S10 L15 I16	N8-S12 WeakPolarHBondContact O-CB 3.4Å; N8-S12 PolarHBondContact O-N 2.66Å; L9-S12 PolarHBondContact O-N 3.47Å; S10-S12 VanDerWaalsContact C-N 3.33Å; S10-S12 PolarHBondContact O-N 2.94Å; S12-L15 PolarHBondContact O-N 3.4Å; S12-I16 WeakPolarHBondContact O-CD1 3.45Å; S12-I16 VanDerWaalsContact O-CG1 3.27Å; S12-I16 WeakPolarHBondContact O-CG1 3.48Å; S12-I16 PolarHBondContact O-N 3.23Å; S12-I16 VanDerWaalsContact O-N 3.07Å
13	L	75	Confident	63.8	Low	65 Å²	65	102.7 Å²	102.7	34%	0.34	51%	0.512	S	S	.	.	H	α-helix	trans	-65.5	-45	178.3	-165.5	77.4	0	0	0	111.2	L9 S10 I11 L15 I16 V17 V377 F381	L9-L13 WeakPolarHBondContact O-CB 3.38Å; L9-L13 PolarHBondContact O-N 3.25Å; S10-L13 PolarHBondContact O-N 3.01Å; S10-L13 VanDerWaalsContact O-N 3.17Å; I11-L13 VanDerWaalsContact C-N 3.33Å; I11-L13 PolarHBondContact O-N 3.47Å; L13-L15 VanDerWaalsContact C-N 3.33Å; L13-L15 PolarHBondContact O-N 3.43Å; L13-I16 PolarHBondContact O-N 3Å; L13-V17 WeakPolarHBondContact O-CG2 3.19Å; L13-V17 PolarHBondContact O-N 2.92Å; L13-V377 HydrophobicContact CD1-CG1 4.04Å; L13-V377 HydrophobicContact CD2-CG1 4.36Å; L13-F381 HydrophobicContact CD2-CE2 4.2Å
14	F	76.6	Confident	64.2	Low	132 Å²	132	97.9 Å²	97.9	58%	0.579	50%	0.495	S	S	*	.	H	α-helix	trans	-60.6	-41	175.9	-84.4	-71.4	0	0	0	112.4	S10 I11 V17 I18	S10-F14 WeakPolarHBondContact O-CD2 3.34Å; S10-F14 PolarHBondContact O-N 3.21Å; S10-F14 WeakPolarHBondContact OG-CE2 3.14Å; I11-F14 PolarHBondContact O-N 2.99Å; F14-V17 PolarHBondContact O-N 3.06Å; F14-I18 WeakPolarHBondContact O-CB 3.38Å; F14-I18 VanDerWaalsContact O-CG1 3.26Å; F14-I18 WeakPolarHBondContact O-CG1 3.42Å; F14-I18 PolarHBondContact O-N 3.45Å
15	L	76	Confident	64.6	Low	109 Å²	109	92.2 Å²	92.2	57%	0.571	46%	0.464	S	S	*	.	H	α-helix	trans	-63.8	-40.2	176.2	-71.7	173.8	0	0	0	112	I11 S12 L13 W19	I11-L15 HydrophobicContact CG2-CD1 4.06Å; I11-L15 HydrophobicContact CG2-CG 4.41Å; I11-L15 VanDerWaalsContact O-CG 3.31Å; I11-L15 WeakPolarHBondContact O-CG 3.38Å; I11-L15 PolarHBondContact O-N 3.41Å; S12-L15 PolarHBondContact O-N 3.4Å; L13-L15 VanDerWaalsContact C-N 3.33Å; L13-L15 PolarHBondContact O-N 3.43Å; L15-W19 WeakPolarHBondContact O-CB 3.21Å; L15-W19 PolarHBondContact O-N 3.37Å
16	I	78.6	Confident	65	Low	85 Å²	85	90.2 Å²	90.2	44%	0.436	46%	0.458	S	S	.	.	H	α-helix	trans	-63.3	-45.3	175.6	-67.8	163.3	0	0	0	110.4	S12 L13 W19 L20	S12-I16 WeakPolarHBondContact O-CD1 3.45Å; S12-I16 VanDerWaalsContact O-CG1 3.27Å; S12-I16 WeakPolarHBondContact O-CG1 3.48Å; S12-I16 PolarHBondContact O-N 3.23Å; S12-I16 VanDerWaalsContact O-N 3.07Å; L13-I16 PolarHBondContact O-N 3Å; I16-W19 PolarHBondContact O-N 3.32Å; I16-L20 HydrophobicContact CG2-CD1 3.83Å; I16-L20 HydrophobicContact CG2-CG 4.27Å; I16-L20 WeakPolarHBondContact O-CB 3.13Å; I16-L20 VanDerWaalsContact O-CG 3.27Å; I16-L20 WeakPolarHBondContact O-CG 3.43Å; I16-L20 PolarHBondContact O-N 3.34Å
17	V	74.9	Confident	65	Low	59 Å²	59	89.5 Å²	89.5	36%	0.358	45%	0.449	S	S	.	.	H	α-helix	trans	-63.8	-45	178.8	175.2	0	0	0	0	111.6	L13 F14 W19 L20 Y21	L13-V17 WeakPolarHBondContact O-CG2 3.19Å; L13-V17 PolarHBondContact O-N 2.92Å; F14-V17 PolarHBondContact O-N 3.06Å; V17-W19 VanDerWaalsContact C-N 3.31Å; V17-W19 PolarHBondContact O-N 3.27Å; V17-L20 PolarHBondContact O-N 3.36Å; V17-Y21 VanDerWaalsContact O-CB 3.31Å; V17-Y21 WeakPolarHBondContact O-CB 3.38Å; V17-Y21 PolarHBondContact O-N 2.92Å
18	I	68.8	Low	65.2	Low	90 Å²	90	88.5 Å²	88.5	46%	0.462	44%	0.437	S	S	.	.	H	α-helix	trans	-63.3	-39.7	176.7	-67.8	166.5	0	0	0	110.8	F14 Y21 R22	F14-I18 WeakPolarHBondContact O-CB 3.38Å; F14-I18 VanDerWaalsContact O-CG1 3.26Å; F14-I18 WeakPolarHBondContact O-CG1 3.42Å; F14-I18 PolarHBondContact O-N 3.45Å; I18-Y21 PolarHBondContact O-N 3.31Å; I18-R22 WeakPolarHBondContact O-CB 3.44Å; I18-R22 WeakPolarHBondContact O-CG 3.21Å; I18-R22 PolarHBondContact O-N 3.2Å
19	W	66.4	Low	65.6	Low	183 Å²	183	83.5 Å²	83.5	69%	0.693	41%	0.41	S	S	*	.	H	α-helix	trans	-67	-46.9	178.5	-171.7	78	0	0	0	111.7	L15 I16 V17 Y21 R22 S23	L15-W19 WeakPolarHBondContact O-CB 3.21Å; L15-W19 PolarHBondContact O-N 3.37Å; I16-W19 PolarHBondContact O-N 3.32Å; V17-W19 VanDerWaalsContact C-N 3.31Å; V17-W19 PolarHBondContact O-N 3.27Å; W19-Y21 PolarHBondContact O-N 3.4Å; W19-R22 PolarHBondContact O-N 3.01Å; W19-S23 WeakPolarHBondContact O-CB 3.24Å; W19-S23 PolarHBondContact O-N 3.13Å; W19-S23 PolarHBondContact O-OG 3.26Å
20	L	65.3	Low	66.4	Low	66 Å²	66	78.9 Å²	78.9	35%	0.346	39%	0.388	S	S	.	.	H	α-helix	trans	-57	-49.3	173.1	-73.2	172.1	0	0	0	110.3	I16 V17 R22 S23 F24	I16-L20 HydrophobicContact CG2-CD1 3.83Å; I16-L20 HydrophobicContact CG2-CG 4.27Å; I16-L20 WeakPolarHBondContact O-CB 3.13Å; I16-L20 VanDerWaalsContact O-CG 3.27Å; I16-L20 WeakPolarHBondContact O-CG 3.43Å; I16-L20 PolarHBondContact O-N 3.34Å; V17-L20 PolarHBondContact O-N 3.36Å; L20-R22 PolarHBondContact O-N 3.21Å; L20-S23 WeakPolarHBondContact CA-OG 3Å; L20-S23 PolarHBondContact O-N 3.16Å; L20-S23 VanDerWaalsContact O-N 3.11Å; L20-S23 PolarHBondContact O-OG 3.21Å; L20-F24 HydrophobicContact CB-CD2 4.35Å; L20-F24 HydrophobicContact CB-CE2 4.19Å; L20-F24 HydrophobicContact CD2-CE2 4.45Å; L20-F24 WeakPolarHBondContact O-CD2 3.5Å; L20-F24 PolarHBondContact O-N 3.26Å
21	Y	64.1	Low	66.6	Low	130 Å²	130	82 Å²	82	51%	0.51	40%	0.395	S	S	.	.	H	α-helix	trans	-59.6	-43.8	178.7	-175.8	-101.5	0	0	0	113.4	V17 I18 W19 S23 N25	V17-Y21 VanDerWaalsContact O-CB 3.31Å; V17-Y21 WeakPolarHBondContact O-CB 3.38Å; V17-Y21 PolarHBondContact O-N 2.92Å; I18-Y21 PolarHBondContact O-N 3.31Å; W19-Y21 PolarHBondContact O-N 3.4Å; Y21-S23 VanDerWaalsContact C-N 3.34Å; Y21-N25 WeakPolarHBondContact CE1-ND2 3.28Å; Y21-N25 VanDerWaalsContact CZ-ND2 3.28Å; Y21-N25 PolarHBondContact O-N 2.99Å; Y21-N25 PolarHBondContact O-ND2 3.23Å
22	R	55.8	Low	66.2	Low	189 Å²	189	81 Å²	81	71%	0.713	39%	0.389	S	S	*	.	H	α-helix	trans	-64.5	-39	174.6	-78.9	-173.9	173.6	-166.1	-1.9	111.9	I18 W19 L20 C26	I18-R22 WeakPolarHBondContact O-CB 3.44Å; I18-R22 WeakPolarHBondContact O-CG 3.21Å; I18-R22 PolarHBondContact O-N 3.2Å; W19-R22 PolarHBondContact O-N 3.01Å; L20-R22 PolarHBondContact O-N 3.21Å; R22-C26 PolarHBondContact O-N 2.93Å
23	S	57.7	Low	65.2	Low	32 Å²	32	84.5 Å²	84.5	22%	0.224	40%	0.401	C	S	.	.	H	α-helix	trans	-66.5	-45.1	177.9	67.8	0	0	0	0	111.9	W19 L20 Y21 N25 C26 I27	W19-S23 WeakPolarHBondContact O-CB 3.24Å; W19-S23 PolarHBondContact O-N 3.13Å; W19-S23 PolarHBondContact O-OG 3.26Å; L20-S23 WeakPolarHBondContact CA-OG 3Å; L20-S23 PolarHBondContact O-N 3.16Å; L20-S23 VanDerWaalsContact O-N 3.11Å; L20-S23 PolarHBondContact O-OG 3.21Å; Y21-S23 VanDerWaalsContact C-N 3.34Å; S23-N25 PolarHBondContact O-N 3.11Å; S23-C26 PolarHBondContact O-N 3.44Å; S23-C26 VanDerWaalsContact O-N 3.13Å; S23-I27 WeakPolarHBondContact O-CD1 3.43Å; S23-I27 WeakPolarHBondContact O-CG1 3.36Å; S23-I27 PolarHBondContact O-N 3.47Å
24	F	57.9	Low	64.4	Low	97 Å²	97	85.3 Å²	85.3	43%	0.425	41%	0.406	S	S	.	.	H	α-helix	trans	-59.6	-44.1	176.9	-79.2	-66.2	0	0	0	112.8	L20 C26 I27 D28 A370	L20-F24 HydrophobicContact CB-CD2 4.35Å; L20-F24 HydrophobicContact CB-CE2 4.19Å; L20-F24 HydrophobicContact CD2-CE2 4.45Å; L20-F24 WeakPolarHBondContact O-CD2 3.5Å; L20-F24 PolarHBondContact O-N 3.26Å; F24-C26 VanDerWaalsContact C-N 3.3Å; F24-C26 PolarHBondContact O-N 3.46Å; F24-I27 WeakPolarHBondContact O-CB 3.25Å; F24-I27 PolarHBondContact O-N 3.3Å; F24-D28 PolarHBondContact O-N 2.93Å; F24-A370 HydrophobicContact CZ-CB 4.06Å
25	N	54.8	Low	63.4	Low	34 Å²	34	82.1 Å²	82.1	18%	0.182	40%	0.399	C	S	.	.	H	α-helix	trans	-64	-34.6	176.9	-81	-46.3	0	0	0	112.8	Y21 S23 I29	Y21-N25 WeakPolarHBondContact CE1-ND2 3.28Å; Y21-N25 VanDerWaalsContact CZ-ND2 3.28Å; Y21-N25 PolarHBondContact O-N 2.99Å; Y21-N25 PolarHBondContact O-ND2 3.23Å; S23-N25 PolarHBondContact O-N 3.11Å; N25-I29 WeakPolarHBondContact O-CD1 3.25Å
26	C	59.1	Low	62.5	Low	45 Å²	45	83.9 Å²	83.9	30%	0.304	40%	0.404	S	S	.	.	H	α-helix	trans	-70.1	-38.6	174.5	-163.7	0	0	0	0	111.6	R22 S23 F24 D28 C30 K193	R22-C26 PolarHBondContact O-N 2.93Å; S23-C26 PolarHBondContact O-N 3.44Å; S23-C26 VanDerWaalsContact O-N 3.13Å; F24-C26 VanDerWaalsContact C-N 3.3Å; F24-C26 PolarHBondContact O-N 3.46Å; C26-D28 PolarHBondContact O-N 3.02Å; C26-C30 PolarHBondContact O-N 3.28Å; C26-C30 PolarHBondContact O-SG 2.69Å; C26-K193 PolarHBondContact SG-O 2.83Å
27	I	52.8	Low	61.9	Low	48 Å²	48	85 Å²	85	25%	0.246	41%	0.407	C	S	.	.	H	α-helix	trans	-60.2	-44	-178.4	-72.9	162.4	0	0	0	111.1	S23 F24 I29 C30 K31	S23-I27 WeakPolarHBondContact O-CD1 3.43Å; S23-I27 WeakPolarHBondContact O-CG1 3.36Å; S23-I27 PolarHBondContact O-N 3.47Å; F24-I27 WeakPolarHBondContact O-CB 3.25Å; F24-I27 PolarHBondContact O-N 3.3Å; I27-I29 VanDerWaalsContact C-N 3.34Å; I27-I29 PolarHBondContact O-N 2.97Å; I27-C30 PolarHBondContact O-N 3.43Å; I27-C30 VanDerWaalsContact O-N 3.12Å; I27-K31 HydrophobicContact CG2-CD 4.45Å; I27-K31 WeakPolarHBondContact O-CG 2.89Å; I27-K31 PolarHBondContact O-N 2.87Å; I27-K31 VanDerWaalsContact O-N 3.12Å
28	D	64.6	Low	61.7	Low	59 Å²	59	83 Å²	83	32%	0.316	39%	0.393	S	S	.	.	H	α-helix	trans	-58.7	-42.3	-175.1	-157.1	20	0	0	0	112.9	F24 C26 K31 K227	F24-D28 PolarHBondContact O-N 2.93Å; C26-D28 PolarHBondContact O-N 3.02Å; D28-K31 WeakPolarHBondContact O-CB 3.27Å; D28-K31 PolarHBondContact O-N 3.49Å; D28-K227 IonicContact OD2-NZ 2.67Å
29	I	64.2	Low	62.5	Low	10 Å²	10	82.6 Å²	82.6	5%	0.051	39%	0.389	C	S	.	.	H	α-helix	trans	-72.8	-36.6	178.4	-64	143.1	0	0	0	111.4	N25 I27 K31 H32 Y38 Y54 I192 Y201 N223	N25-I29 WeakPolarHBondContact O-CD1 3.25Å; I27-I29 VanDerWaalsContact C-N 3.34Å; I27-I29 PolarHBondContact O-N 2.97Å; I29-K31 PolarHBondContact O-N 3.47Å; I29-H32 PolarHBondContact O-N 2.89Å; I29-H32 VanDerWaalsContact O-N 3.16Å; I29-Y38 HydrophobicContact CG2-CE2 4.49Å; I29-Y54 HydrophobicContact CD1-CE2 3.46Å; I29-Y54 VanDerWaalsContact CD1-CE2 3.46Å; I29-Y54 WeakPolarHBondContact CD1-OH 3.42Å; I29-Y54 HydrophobicContact CG1-CD2 4.49Å; I29-Y54 HydrophobicContact CG1-CE2 3.61Å; I29-Y54 HydrophobicContact CG2-CE2 4.08Å; I29-I192 HydrophobicContact CG2-CD1 4.5Å; I29-Y201 HydrophobicContact CG2-CE2 4.15Å; I29-Y201 VanDerWaalsContact CG2-OH 3.26Å; I29-Y201 WeakPolarHBondContact CG2-OH 3.18Å; I29-N223 HydrophobicContact CD1-CB 4.19Å
30	C	71.9	Confident	63.4	Low	23 Å²	23	77.6 Å²	77.6	16%	0.155	37%	0.372	C	S	.	.	H	α-helix	trans	-67	-15.7	176.7	-61.6	0	0	0	0	112.8	C26 I27 C194	C26-C30 PolarHBondContact O-N 3.28Å; C26-C30 PolarHBondContact O-SG 2.69Å; I27-C30 PolarHBondContact O-N 3.43Å; I27-C30 VanDerWaalsContact O-N 3.12Å; C30-C194 HydrophobicContact CB-CB 3.7Å; C30-C194 WeakPolarHBondContact CB-SG 3.31Å; C30-C194 WeakPolarHBondContact SG-CA 3.33Å; C30-C194 WeakPolarHBondContact SG-CB 3.11Å; C30-C194 CovalentContact SG-SG 2.03Å; C30-C194 PolarHBondContact SG-SG 2.83Å
31	K	67.3	Low	64.4	Low	113 Å²	113	79.4 Å²	79.4	49%	0.491	38%	0.379	S	S	.	.	H	α-helix	trans	-77.2	-33.9	171.9	-67	-177	-178.5	-156.9	0	112.6	I27 D28 I29 L33 D363	I27-K31 HydrophobicContact CG2-CD 4.45Å; I27-K31 WeakPolarHBondContact O-CG 2.89Å; I27-K31 PolarHBondContact O-N 2.87Å; I27-K31 VanDerWaalsContact O-N 3.12Å; D28-K31 WeakPolarHBondContact O-CB 3.27Å; D28-K31 PolarHBondContact O-N 3.49Å; I29-K31 PolarHBondContact O-N 3.47Å; K31-L33 PolarHBondContact O-N 2.88Å; K31-D363 IonicContact NZ-OD2 2.74Å
32	H	63.4	Low	65.5	Low	73 Å²	73	74.2 Å²	74.2	34%	0.338	36%	0.361	S	S	.	.			trans	-97.9	83.6	-179	-65.2	-71.6	0	0	0	111.5	I29 D34 Y38	I29-H32 PolarHBondContact O-N 2.89Å; I29-H32 VanDerWaalsContact O-N 3.16Å; H32-D34 PolarHBondContact O-N 3.47Å; H32-D34 VanDerWaalsContact O-N 3.14Å; H32-Y38 HydrophobicContact CB-CE2 3.95Å; H32-Y38 PolarHBondContact CD2-OH 3.12Å
33	L	53.5	Low	66.9	Low	132 Å²	132	65.9 Å²	65.9	69%	0.691	33%	0.33	S	S	*	.			trans	-64	-13	-179	-87	140.7	0	0	0	115.1	K31 P35 M199	K31-L33 PolarHBondContact O-N 2.88Å; L33-P35 VanDerWaalsContact O-CD 3.27Å; L33-P35 WeakPolarHBondContact O-CD 3.48Å; L33-M199 VanDerWaalsContact O-CE 3.22Å; L33-M199 WeakPolarHBondContact O-CE 3.31Å
34	D	59.9	Low	68.3	Low	83 Å²	83	67.1 Å²	67.1	44%	0.444	33%	0.332	S	S	.	.			trans	-89.6	111.9	-180	-168.6	-4.8	0	0	0	111.1	H32 Q36 H37	H32-D34 PolarHBondContact O-N 3.47Å; H32-D34 VanDerWaalsContact O-N 3.14Å; D34-Q36 PolarHBondContact O-N 3.46Å; D34-Q36 VanDerWaalsContact O-N 3.07Å; D34-Q36 VanDerWaalsContact OD1-CB 3.28Å; D34-Q36 WeakPolarHBondContact OD1-CB 3.3Å; D34-Q36 WeakPolarHBondContact OD1-CG 3.18Å; D34-Q36 PolarHBondContact OD1-N 3Å; D34-H37 VanDerWaalsContact O-CB 3.24Å; D34-H37 WeakPolarHBondContact O-CB 3.32Å; D34-H37 PolarHBondContact O-N 3.49Å
35	P	55.4	Low	69.7	Low	64 Å²	64	64.1 Å²	64.1	42%	0.416	32%	0.32	S	S	.	.	G	3₁₀ helix	trans	-57.4	-22.6	173.1	-21.3	33.9	0	0	0	113.3	L33 H37 Y201	L33-P35 VanDerWaalsContact O-CD 3.27Å; L33-P35 WeakPolarHBondContact O-CD 3.48Å; P35-H37 PolarHBondContact O-N 2.91Å; P35-Y201 HydrophobicContact CB-CD1 4.48Å; P35-Y201 HydrophobicContact CB-CE1 4.5Å
36	Q	56.5	Low	71	Confident	146 Å²	146	69 Å²	69	68%	0.682	35%	0.347	S	S	*	.	G	3₁₀ helix	trans	-68.2	-24.4	175.6	-59.6	-174.2	21.9	0	0	112.5	D34 Y38 H39	D34-Q36 PolarHBondContact O-N 3.46Å; D34-Q36 VanDerWaalsContact O-N 3.07Å; D34-Q36 VanDerWaalsContact OD1-CB 3.28Å; D34-Q36 WeakPolarHBondContact OD1-CB 3.3Å; D34-Q36 WeakPolarHBondContact OD1-CG 3.18Å; D34-Q36 PolarHBondContact OD1-N 3Å; Q36-Y38 PolarHBondContact O-N 3.19Å; Q36-H39 PolarHBondContact O-N 3.35Å
37	H	65.6	Low	72.2	Confident	110 Å²	110	70.3 Å²	70.3	51%	0.509	35%	0.353	S	S	.	.	G	3₁₀ helix	trans	-59.9	-33.9	-179.6	-162.3	75.6	0	0	0	112.1	D34 P35	D34-H37 VanDerWaalsContact O-CB 3.24Å; D34-H37 WeakPolarHBondContact O-CB 3.32Å; D34-H37 PolarHBondContact O-N 3.49Å; P35-H37 PolarHBondContact O-N 2.91Å
38	Y	71.5	Confident	73.9	Confident	16 Å²	16	68.8 Å²	68.8	6%	0.063	34%	0.344	C	S	.	.	G	3₁₀ helix	trans	-102.5	9.1	178.6	-56.5	-71.3	0	0	0	113.4	I29 H32 Q36 H53 Y54 Y201 K227	I29-Y38 HydrophobicContact CG2-CE2 4.49Å; H32-Y38 HydrophobicContact CB-CE2 3.95Å; H32-Y38 PolarHBondContact CD2-OH 3.12Å; Q36-Y38 PolarHBondContact O-N 3.19Å; Y38-H53 CarbonylContact O-C 3.56Å; Y38-H53 VanDerWaalsContact O-CA 3.22Å; Y38-H53 WeakPolarHBondContact O-CA 3.41Å; Y38-Y54 HydrophobicContact CD2-CD2 4.34Å; Y38-Y54 HydrophobicContact CG-CD2 4.24Å; Y38-Y54 PolarHBondContact O-N 3.24Å; Y38-Y201 HydrophobicContact CD2-CE1 4.36Å; Y38-K227 HydrophobicContact CE1-CB 4.12Å
39	H	84.4	Confident	75.2	Confident	82 Å²	82	66.3 Å²	66.3	38%	0.38	33%	0.331	S	S	.	.			trans	-99.9	116	173.6	174.6	-139.9	0	0	0	109.6	Q36 L52 H53	Q36-H39 PolarHBondContact O-N 3.35Å; H39-L52 WeakPolarHBondContact CA-O 2.91Å; H39-H53 AromaticContact CD2-CE1 3.2Å; H39-H53 PolarHBondContact CD2-CE1 3.04Å; H39-H53 AromaticContact CD2-ND1 3.61Å; H39-H53 AromaticContact CD2-NE2 3.83Å; H39-H53 AromaticContact CG-CE1 3.87Å; H39-H53 AromaticContact NE2-CE1 3.64Å
40	K	85.2	Confident	76.6	Confident	77 Å²	77	65.8 Å²	65.8	34%	0.335	33%	0.328	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-124.5	116.1	171.3	-178.3	164.4	179.1	164.9	0	109.7	V42 S51 L52 G246 N247 I248	K40-V42 PolarHBondContact O-N 2.78Å; K40-S51 CarbonylContact O-C 3.51Å; K40-S51 WeakPolarHBondContact O-CA 3.48Å; K40-L52 HydrophobicContact CB-CB 4.23Å; K40-L52 PolarHBondContact N-O 3.19Å; K40-L52 PolarHBondContact O-N 3.39Å; K40-G246 WeakPolarHBondContact CE-O 3.4Å; K40-N247 WeakPolarHBondContact CE-O 3.47Å; K40-N247 PolarHBondContact NZ-O 3.27Å; K40-I248 HydrophobicContact CD-CG2 3.97Å
41	Q	87.1	Confident	77.5	Confident	105 Å²	105	64.7 Å²	64.7	49%	0.491	32%	0.321	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-70	116.9	165.5	-175.1	172.6	-51.8	0	0	107.8	E44	Q41-E44 PolarHBondContact NE2-OE2 3.48Å
42	V	86.7	Confident	78.7	Confident	20 Å²	20	59.7 Å²	59.7	12%	0.121	30%	0.3	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-92.1	-45.5	-175.2	-169.3	0	0	0	0	109.7	K40 L50 L52 I248 L265	K40-V42 PolarHBondContact O-N 2.78Å; V42-L50 HydrophobicContact CB-CB 4.44Å; V42-L50 HydrophobicContact CB-CD2 4.28Å; V42-L50 HydrophobicContact CB-CG 4.3Å; V42-L50 WeakPolarHBondContact CB-O 3.49Å; V42-L50 HydrophobicContact CG1-CD2 4.28Å; V42-L50 PolarHBondContact N-O 3.45Å; V42-L52 HydrophobicContact CG2-CB 4.06Å; V42-I248 HydrophobicContact CG1-CD1 4.11Å; V42-I248 HydrophobicContact CG1-CG2 4.26Å; V42-I248 HydrophobicContact CG2-CD1 4.17Å; V42-I248 HydrophobicContact CG2-CG2 3.72Å; V42-L265 HydrophobicContact CG1-CD1 4.2Å; V42-L265 HydrophobicContact CG1-CD2 3.6Å
43	F	86	Confident	79.9	Confident	15 Å²	15	57.3 Å²	57.3	7%	0.066	29%	0.289	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-152.7	144.3	177.7	-177	-85.5	0	0	0	111	N45 Y48 H49 L50 L265 Q268 N269	F43-N45 HydrophobicContact CE1-CB 3.71Å; F43-N45 HydrophobicContact CZ-CB 3.89Å; F43-Y48 AromaticContact CD1-CD1 3.72Å; F43-Y48 HydrophobicContact CD1-CD1 3.72Å; F43-Y48 HydrophobicContact CD1-CE1 4.3Å; F43-Y48 HydrophobicContact CE1-CD1 4.22Å; F43-H49 WeakPolarHBondContact O-CA 3.44Å; F43-L50 HydrophobicContact CB-CB 4.42Å; F43-L50 PolarHBondContact N-O 3.36Å; F43-L50 PolarHBondContact O-N 3.4Å; F43-L265 HydrophobicContact CB-CD2 3.98Å; F43-Q268 HydrophobicContact CD1-CB 3.87Å; F43-Q268 HydrophobicContact CD1-CG 4.2Å; F43-Q268 HydrophobicContact CD2-CB 3.86Å; F43-Q268 HydrophobicContact CE1-CB 3.56Å; F43-Q268 HydrophobicContact CE1-CG 3.96Å; F43-Q268 HydrophobicContact CE2-CB 3.57Å; F43-Q268 HydrophobicContact CG-CB 4.01Å; F43-Q268 HydrophobicContact CZ-CB 3.44Å; F43-Q268 VanDerWaalsContact CZ-CB 3.44Å; F43-Q268 HydrophobicContact CZ-CG 4.3Å; F43-N269 WeakPolarHBondContact CD2-OD1 3.06Å
44	E	87.6	Confident	81.3	Confident	57 Å²	57	51.8 Å²	51.8	27%	0.266	26%	0.259	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-147.5	128.7	171.4	-179.1	167.6	-144.2	0	0	112.2	Q41 H49 K208 R209	Q41-E44 PolarHBondContact NE2-OE2 3.48Å; E44-H49 HydrophobicContact CG-CB 4.4Å; E44-H49 IonicContact OE1-CD2 2.73Å; E44-K208 WeakPolarHBondContact OE1-CE 3.27Å; E44-K208 IonicContact OE1-NZ 3.58Å; E44-K208 PolarHBondContact OE1-NZ 2.7Å; E44-K208 IonicContact OE2-NZ 3.62Å; E44-K208 PolarHBondContact OE2-NZ 2.73Å; E44-R209 VanDerWaalsContact CG-NH2 3.3Å; E44-R209 IonicContact OE1-CZ 3.12Å; E44-R209 IonicContact OE1-NE 3.83Å; E44-R209 IonicContact OE1-NH2 3.34Å; E44-R209 PolarHBondContact OE1-NH2 2.8Å
45	N	87.1	Confident	82.7	Confident	34 Å²	34	48 Å²	48	18%	0.182	24%	0.238	C	C	.	.			trans	-139.7	-171.3	163.8	73.9	11.4	0	0	0	111.7	F43 T47 Y48 R209 Q268	F43-N45 HydrophobicContact CE1-CB 3.71Å; F43-N45 HydrophobicContact CZ-CB 3.89Å; N45-T47 VanDerWaalsContact C-N 3.26Å; N45-T47 PolarHBondContact O-N 3.35Å; N45-T47 PolarHBondContact OD1-N 2.79Å; N45-T47 PolarHBondContact OD1-OG1 3.48Å; N45-Y48 PolarHBondContact N-O 2.91Å; N45-Y48 VanDerWaalsContact O-O 3.06Å; N45-Y48 WeakPolarHBondContact OD1-CA 3.39Å; N45-Y48 WeakPolarHBondContact OD1-CB 3.42Å; N45-Y48 PolarHBondContact OD1-N 3.45Å; N45-Y48 PolarHBondContact OD1-O 3.47Å; N45-R209 PolarHBondContact O-NH1 3.39Å; N45-R209 PolarHBondContact O-NH2 3.35Å; N45-Q268 PolarHBondContact ND2-OE1 3.22Å
46	D	81.3	Confident	84.5	Confident	138 Å²	138	45 Å²	45	74%	0.738	22%	0.219	S	C	*	.	S	Bend	trans	-63.9	-23.1	-174.3	-81	-17.1	0	0	0	115.9	R209	D46-R209 PolarHBondContact O-NH1 2.92Å
47	T	84.9	Confident	86.3	Confident	71 Å²	71	38.1 Å²	38.1	44%	0.436	19%	0.187	S	C	.	.	S	Bend	trans	-114.5	-25.4	-174.1	57.4	0	0	0	0	113	N45 S61	N45-T47 VanDerWaalsContact C-N 3.26Å; N45-T47 PolarHBondContact O-N 3.35Å; N45-T47 PolarHBondContact OD1-N 2.79Å; N45-T47 PolarHBondContact OD1-OG1 3.48Å; T47-S61 WeakPolarHBondContact O-CA 3.38Å
48	Y	88.9	Confident	87.7	Confident	16 Å²	16	32.9 Å²	32.9	6%	0.063	16%	0.163	C	C	.	.			trans	-134.2	141.9	-170.6	-172	-95.6	0	0	0	111	F43 N45 L50 R59 I60 E264 Q268	F43-Y48 AromaticContact CD1-CD1 3.72Å; F43-Y48 HydrophobicContact CD1-CD1 3.72Å; F43-Y48 HydrophobicContact CD1-CE1 4.3Å; F43-Y48 HydrophobicContact CE1-CD1 4.22Å; N45-Y48 PolarHBondContact N-O 2.91Å; N45-Y48 VanDerWaalsContact O-O 3.06Å; N45-Y48 WeakPolarHBondContact OD1-CA 3.39Å; N45-Y48 WeakPolarHBondContact OD1-CB 3.42Å; N45-Y48 PolarHBondContact OD1-N 3.45Å; N45-Y48 PolarHBondContact OD1-O 3.47Å; Y48-L50 HydrophobicContact CE1-CB 3.74Å; Y48-R59 HydrophobicContact CE2-CG 3.58Å; Y48-R59 PolarHBondContact OH-NE 3.12Å; Y48-I60 CarbonylContact C-O 3.55Å; Y48-I60 VanDerWaalsContact CA-O 3.28Å; Y48-I60 WeakPolarHBondContact CA-O 3.18Å; Y48-E264 PolarHBondContact OH-OE2 2.75Å; Y48-Q268 HydrophobicContact CD1-CG 3.92Å; Y48-Q268 HydrophobicContact CE1-CG 4.28Å; Y48-Q268 HydrophobicContact CG-CG 4.46Å
49	H	91	Very high	88.8	Confident	7 Å²	7	33 Å²	33	3%	0.032	16%	0.163	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-146.7	129.6	174.1	164	-74.6	0	0	0	108.7	F43 E44 S51 R59 I60	F43-H49 WeakPolarHBondContact O-CA 3.44Å; E44-H49 HydrophobicContact CG-CB 4.4Å; E44-H49 IonicContact OE1-CD2 2.73Å; H49-S51 PolarHBondContact CE1-OG 3.19Å; H49-S51 VanDerWaalsContact CE1-OG 3.24Å; H49-R59 CarbonylContact O-C 3.58Å; H49-I60 HydrophobicContact CB-CB 4.16Å; H49-I60 PolarHBondContact N-O 3.06Å; H49-I60 PolarHBondContact O-N 3.31Å
50	L	92.9	Very high	89.3	Confident	0 Å²	0	29.2 Å²	29.2	0%	0	15%	0.145	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-125.5	123.9	177	-171	69.1	0	0	0	109	V42 F43 Y48 L57 L58 R59 I261 L265	V42-L50 HydrophobicContact CB-CB 4.44Å; V42-L50 HydrophobicContact CB-CD2 4.28Å; V42-L50 HydrophobicContact CB-CG 4.3Å; V42-L50 WeakPolarHBondContact CB-O 3.49Å; V42-L50 HydrophobicContact CG1-CD2 4.28Å; V42-L50 PolarHBondContact N-O 3.45Å; F43-L50 HydrophobicContact CB-CB 4.42Å; F43-L50 PolarHBondContact N-O 3.36Å; F43-L50 PolarHBondContact O-N 3.4Å; Y48-L50 HydrophobicContact CE1-CB 3.74Å; L50-L57 HydrophobicContact CD1-CD1 3.74Å; L50-L57 HydrophobicContact CD1-CD2 4.11Å; L50-L57 HydrophobicContact CD1-CG 3.78Å; L50-L57 HydrophobicContact CD2-CD1 4.45Å; L50-L57 HydrophobicContact CG-CD1 4.04Å; L50-L58 WeakPolarHBondContact CA-O 3.43Å; L50-R59 HydrophobicContact CD1-CB 4.02Å; L50-R59 HydrophobicContact CD1-CG 4.46Å; L50-I261 HydrophobicContact CD2-CG2 4.27Å; L50-L265 HydrophobicContact CD2-CD2 3.89Å; L50-L265 HydrophobicContact CD2-CG 4.26Å
51	S	92.2	Very high	89.8	Confident	0 Å²	0	26.2 Å²	26.2	0%	0	13%	0.134	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-133.3	140.4	173.3	56.5	0	0	0	0	110.6	K40 H49 H53 L58	K40-S51 CarbonylContact O-C 3.51Å; K40-S51 WeakPolarHBondContact O-CA 3.48Å; H49-S51 PolarHBondContact CE1-OG 3.19Å; H49-S51 VanDerWaalsContact CE1-OG 3.24Å; S51-H53 PolarHBondContact OG-CD2 3.37Å; S51-H53 PolarHBondContact OG-NE2 3.43Å; S51-L58 PolarHBondContact N-O 2.76Å; S51-L58 PolarHBondContact O-N 2.99Å; S51-L58 WeakPolarHBondContact OG-CB 3.39Å
52	L	90.8	Very high	89.9	Confident	8 Å²	8	28.1 Å²	28.1	4%	0.042	14%	0.137	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-88.5	130.7	170.1	-170.3	73.8	0	0	0	107.8	H39 K40 V42 L57 I221 P226 I248 I250	H39-L52 WeakPolarHBondContact CA-O 2.91Å; K40-L52 HydrophobicContact CB-CB 4.23Å; K40-L52 PolarHBondContact N-O 3.19Å; K40-L52 PolarHBondContact O-N 3.39Å; V42-L52 HydrophobicContact CG2-CB 4.06Å; L52-L57 HydrophobicContact CD1-CD1 4.1Å; L52-I221 HydrophobicContact CD1-CD1 3.2Å; L52-I221 HydrophobicContact CG-CD1 4.37Å; L52-P226 HydrophobicContact CD1-CB 4.48Å; L52-P226 HydrophobicContact CD2-CB 4.12Å; L52-P226 HydrophobicContact CG-CB 4.38Å; L52-I248 HydrophobicContact CB-CG2 4.36Å; L52-I248 HydrophobicContact CD2-CB 4.16Å; L52-I248 HydrophobicContact CD2-CG2 3.86Å; L52-I250 HydrophobicContact CD1-CG2 4.46Å
53	H	90	Very high	89.7	Confident	23 Å²	23	33.1 Å²	33.1	11%	0.106	16%	0.159	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-126	165.8	172.1	-64.6	-87.1	0	0	0	109.2	Y38 H39 S51 N55 Y56 I203	Y38-H53 CarbonylContact O-C 3.56Å; Y38-H53 VanDerWaalsContact O-CA 3.22Å; Y38-H53 WeakPolarHBondContact O-CA 3.41Å; H39-H53 AromaticContact CD2-CE1 3.2Å; H39-H53 PolarHBondContact CD2-CE1 3.04Å; H39-H53 AromaticContact CD2-ND1 3.61Å; H39-H53 AromaticContact CD2-NE2 3.83Å; H39-H53 AromaticContact CG-CE1 3.87Å; H39-H53 AromaticContact NE2-CE1 3.64Å; S51-H53 PolarHBondContact OG-CD2 3.37Å; S51-H53 PolarHBondContact OG-NE2 3.43Å; H53-N55 PolarHBondContact O-N 3.25Å; H53-Y56 CarbonylContact C-O 3.59Å; H53-Y56 WeakPolarHBondContact CA-O 3.33Å; H53-Y56 PolarHBondContact N-O 2.78Å; H53-Y56 PolarHBondContact O-N 3Å; H53-Y56 VanDerWaalsContact O-N 3.13Å; H53-I203 HydrophobicContact CB-CD1 3.47Å; H53-I203 VanDerWaalsContact CB-CD1 3.47Å; H53-I203 HydrophobicContact CB-CG1 3.88Å; H53-I203 HydrophobicContact CB-CG2 4.4Å
54	Y	83.1	Confident	89.3	Confident	16 Å²	16	39.8 Å²	39.8	6%	0.063	19%	0.19	C	C	.	.	T	Hydrogen-bonded Turn	trans	-51	124.9	167.2	-178.9	-104.2	0	0	0	110.9	I29 Y38 Y56 Y89 I192 Y201 N223	I29-Y54 HydrophobicContact CD1-CE2 3.46Å; I29-Y54 VanDerWaalsContact CD1-CE2 3.46Å; I29-Y54 WeakPolarHBondContact CD1-OH 3.42Å; I29-Y54 HydrophobicContact CG1-CD2 4.49Å; I29-Y54 HydrophobicContact CG1-CE2 3.61Å; I29-Y54 HydrophobicContact CG2-CE2 4.08Å; Y38-Y54 HydrophobicContact CD2-CD2 4.34Å; Y38-Y54 HydrophobicContact CG-CD2 4.24Å; Y38-Y54 PolarHBondContact O-N 3.24Å; Y54-Y56 PolarHBondContact O-N 3Å; Y54-Y89 HydrophobicContact CD1-CD1 4.21Å; Y54-Y89 HydrophobicContact CD1-CE1 4.21Å; Y54-Y89 HydrophobicContact CE1-CD1 4.21Å; Y54-I192 HydrophobicContact CD1-CD1 4.03Å; Y54-I192 HydrophobicContact CE1-CD1 3.26Å; Y54-Y201 HydrophobicContact CD1-CD1 4.13Å; Y54-Y201 HydrophobicContact CD1-CE1 4.42Å; Y54-Y201 HydrophobicContact CD1-CG 4.19Å; Y54-Y201 HydrophobicContact CG-CD1 4.33Å; Y54-Y201 HydrophobicContact CG-CE1 4.35Å; Y54-N223 HydrophobicContact CD2-CB 4.5Å; Y54-N223 HydrophobicContact CE2-CB 3.5Å; Y54-N223 WeakPolarHBondContact OH-CB 3.33Å; Y54-N223 PolarHBondContact OH-ND2 3.4Å
55	N	88.8	Confident	89.1	Confident	2 Å²	2	38.7 Å²	38.7	1%	0.011	19%	0.186	C	C	.	.	E	Extended strand (participates in β ladder)	trans	63.8	-12.7	-175.3	-76.7	-28.9	0	0	0	118.3	H53 Y89 N90 P220 I221 G222 N223	H53-N55 PolarHBondContact O-N 3.25Å; N55-Y89 HydrophobicContact CB-CD1 4.32Å; N55-N90 PolarHBondContact ND2-ND2 2.98Å; N55-N90 PolarHBondContact OD1-ND2 3.45Å; N55-N90 PolarHBondContact OD1-OD1 3.49Å; N55-P220 WeakPolarHBondContact O-CA 2.98Å; N55-I221 WeakPolarHBondContact O-CG1 3.25Å; N55-I221 PolarHBondContact O-N 3.2Å; N55-G222 WeakPolarHBondContact CA-O 3.42Å; N55-G222 PolarHBondContact OD1-O 2.94Å; N55-N223 WeakPolarHBondContact OD1-CA 3.5Å; N55-N223 VanDerWaalsContact OD1-CB 3.26Å; N55-N223 WeakPolarHBondContact OD1-CB 3.25Å; N55-N223 PolarHBondContact OD1-N 3.42Å; N55-N223 VanDerWaalsContact OD1-N 3.09Å
56	Y	93.7	Very high	88.7	Confident	1 Å²	1	42 Å²	42	0%	0.004	21%	0.207	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-136.9	134.5	-169.1	-72.1	-84.9	0	0	0	113	H53 Y54 Y88 Y89 I188 I203 E219 P220	H53-Y56 CarbonylContact C-O 3.59Å; H53-Y56 WeakPolarHBondContact CA-O 3.33Å; H53-Y56 PolarHBondContact N-O 2.78Å; H53-Y56 PolarHBondContact O-N 3Å; H53-Y56 VanDerWaalsContact O-N 3.13Å; Y54-Y56 PolarHBondContact O-N 3Å; Y56-Y88 WeakPolarHBondContact OH-CA 3.2Å; Y56-Y89 HydrophobicContact CD2-CE1 4.39Å; Y56-Y89 HydrophobicContact CD2-CE2 4.24Å; Y56-Y89 HydrophobicContact CE2-CD1 4.24Å; Y56-Y89 AromaticContact CE2-CD2 3.56Å; Y56-Y89 HydrophobicContact CE2-CD2 3.56Å; Y56-Y89 HydrophobicContact CE2-CE1 4.19Å; Y56-Y89 AromaticContact CE2-CE2 3.53Å; Y56-Y89 HydrophobicContact CE2-CE2 3.53Å; Y56-Y89 AromaticContact CE2-CG 3.93Å; Y56-Y89 HydrophobicContact CE2-CG 3.93Å; Y56-Y89 AromaticContact CE2-CZ 3.87Å; Y56-Y89 PolarHBondContact OH-N 3.38Å; Y56-I188 HydrophobicContact CD1-CD1 4.35Å; Y56-I188 HydrophobicContact CD2-CD1 4.04Å; Y56-I188 HydrophobicContact CE1-CD1 4.33Å; Y56-I188 HydrophobicContact CE2-CD1 4.04Å; Y56-I188 HydrophobicContact CG-CD1 4.21Å; Y56-I203 HydrophobicContact CD2-CD1 3.87Å; Y56-I203 HydrophobicContact CG-CD1 4.15Å; Y56-E219 CarbonylContact C-O 3.49Å; Y56-E219 WeakPolarHBondContact CA-O 3.22Å; Y56-P220 HydrophobicContact CD1-CG 4.48Å; Y56-P220 HydrophobicContact CE1-CB 4.4Å; Y56-P220 HydrophobicContact CE1-CG 3.91Å
57	L	93.3	Very high	88.8	Confident	2 Å²	2	37 Å²	37	1%	0.01	18%	0.18	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-88.7	124.5	159.2	-173.1	67	0	0	0	108.5	L50 L52 E219 I221 I261	L50-L57 HydrophobicContact CD1-CD1 3.74Å; L50-L57 HydrophobicContact CD1-CD2 4.11Å; L50-L57 HydrophobicContact CD1-CG 3.78Å; L50-L57 HydrophobicContact CD2-CD1 4.45Å; L50-L57 HydrophobicContact CG-CD1 4.04Å; L52-L57 HydrophobicContact CD1-CD1 4.1Å; L57-E219 HydrophobicContact CB-CB 4.4Å; L57-E219 PolarHBondContact N-O 2.88Å; L57-E219 PolarHBondContact O-N 3.43Å; L57-I221 HydrophobicContact CB-CD1 4.28Å; L57-I221 HydrophobicContact CB-CG2 3.94Å; L57-I261 HydrophobicContact CD2-CD1 3.61Å; L57-I261 HydrophobicContact CD2-CG1 4.13Å
58	L	95.4	Very high	88.5	Confident	1 Å²	1	40.6 Å²	40.6	1%	0.005	20%	0.197	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-104.3	112.8	179.3	177.7	64.4	0	0	0	110.2	L50 S51 I60 I203 V216 E217 Y218	L50-L58 WeakPolarHBondContact CA-O 3.43Å; S51-L58 PolarHBondContact N-O 2.76Å; S51-L58 PolarHBondContact O-N 2.99Å; S51-L58 WeakPolarHBondContact OG-CB 3.39Å; L58-I60 HydrophobicContact CD1-CG1 4.45Å; L58-I60 HydrophobicContact CD2-CD1 4.34Å; L58-I60 HydrophobicContact CG-CG1 4.27Å; L58-I203 HydrophobicContact CD2-CG2 4.07Å; L58-V216 HydrophobicContact CD1-CG1 3.35Å; L58-E217 WeakPolarHBondContact CA-O 3.31Å; L58-Y218 HydrophobicContact CD1-CD1 3.62Å; L58-Y218 HydrophobicContact CD1-CD2 4.31Å; L58-Y218 HydrophobicContact CD1-CE1 3.47Å; L58-Y218 VanDerWaalsContact CD1-CE1 3.47Å; L58-Y218 HydrophobicContact CD1-CE2 4.19Å; L58-Y218 HydrophobicContact CD1-CG 4.05Å; L58-Y218 HydrophobicContact CD2-CE1 4.49Å; L58-Y218 HydrophobicContact CG-CE1 4.48Å
59	R	94.9	Very high	88.2	Confident	18 Å²	18	41.3 Å²	41.3	7%	0.068	21%	0.209	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-107.1	133.5	172.7	-175.6	-177.3	-70.4	132.4	-3.8	110.1	Y48 H49 L50 V216 E217 E264	Y48-R59 HydrophobicContact CE2-CG 3.58Å; Y48-R59 PolarHBondContact OH-NE 3.12Å; H49-R59 CarbonylContact O-C 3.58Å; L50-R59 HydrophobicContact CD1-CB 4.02Å; L50-R59 HydrophobicContact CD1-CG 4.46Å; R59-V216 CarbonylContact O-C 3.5Å; R59-V216 WeakPolarHBondContact O-CA 3.39Å; R59-E217 HydrophobicContact CB-CB 4.33Å; R59-E217 WeakPolarHBondContact CD-OE2 3.42Å; R59-E217 PolarHBondContact N-O 2.92Å; R59-E217 PolarHBondContact O-N 3.37Å; R59-E264 IonicContact CZ-OE1 3.62Å; R59-E264 IonicContact CZ-OE2 3.64Å; R59-E264 IonicContact NE-OE1 2.64Å; R59-E264 PolarHBondContact NE-OE1 3.17Å; R59-E264 IonicContact NE-OE2 3.18Å; R59-E264 PolarHBondContact NE-OE2 3.31Å; R59-E264 VanDerWaalsContact NH2-CD 3.34Å; R59-E264 IonicContact NH2-OE1 3.62Å; R59-E264 PolarHBondContact NH2-OE1 3.36Å; R59-E264 IonicContact NH2-OE2 2.73Å; R59-E264 PolarHBondContact NH2-OE2 3.15Å
60	I	95.5	Very high	88	Confident	2 Å²	2	47 Å²	47	1%	0.01	24%	0.239	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-126.9	124.1	175.3	-52.6	-179.1	0	0	0	108.2	Y48 H49 L58 V205 P206 R209 T214 L215 V216	Y48-I60 CarbonylContact C-O 3.55Å; Y48-I60 VanDerWaalsContact CA-O 3.28Å; Y48-I60 WeakPolarHBondContact CA-O 3.18Å; H49-I60 HydrophobicContact CB-CB 4.16Å; H49-I60 PolarHBondContact N-O 3.06Å; H49-I60 PolarHBondContact O-N 3.31Å; L58-I60 HydrophobicContact CD1-CG1 4.45Å; L58-I60 HydrophobicContact CD2-CD1 4.34Å; L58-I60 HydrophobicContact CG-CG1 4.27Å; I60-V205 HydrophobicContact CD1-CG1 4.28Å; I60-P206 HydrophobicContact CD1-CG 4.22Å; I60-R209 HydrophobicContact CD1-CB 4.26Å; I60-R209 HydrophobicContact CD1-CG 4.09Å; I60-R209 HydrophobicContact CG2-CB 4.07Å; I60-R209 HydrophobicContact CG2-CG 4.21Å; I60-T214 HydrophobicContact CG2-CG2 3.54Å; I60-L215 WeakPolarHBondContact CA-O 3.29Å; I60-V216 HydrophobicContact CD1-CG2 4.46Å; I60-V216 HydrophobicContact CG1-CG1 4.23Å; I60-V216 HydrophobicContact CG1-CG2 4.15Å; I60-V216 HydrophobicContact CG2-CG2 4.23Å
61	S	94.2	Very high	88	Confident	15 Å²	15	48.4 Å²	48.4	11%	0.105	25%	0.246	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-139.9	169.3	-178.6	68.4	0	0	0	0	111.2	T47 L215	T47-S61 WeakPolarHBondContact O-CA 3.38Å; S61-L215 PolarHBondContact N-O 2.93Å; S61-L215 PolarHBondContact O-N 2.93Å
62	R	89.7	Confident	88	Confident	145 Å²	145	53.6 Å²	53.6	55%	0.547	27%	0.27	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-93.3	113.4	162.7	-62.1	-164.5	-162.4	-174.1	10.2	108.2
63	H	82.6	Confident	88	Confident	125 Å²	125	57.8 Å²	57.8	58%	0.579	30%	0.298	S	S	*	.			trans	-148.4	145.8	176.3	-109.6	71.6	0	0	0	109.5	Y171 L215	H63-Y171 VanDerWaalsContact O-CE2 3.3Å; H63-Y171 WeakPolarHBondContact O-CE2 3.44Å; H63-L215 HydrophobicContact CB-CB 4.23Å; H63-L215 HydrophobicContact CB-CD2 3.93Å
64	Q	77.9	Confident	87.6	Confident	155 Å²	155	60.7 Å²	60.7	72%	0.724	31%	0.31	S	S	*	.			trans	-84	115.4	170.8	-177.4	170.6	-11.8	0	0	108.6	V66	Q64-V66 PolarHBondContact O-N 3.4Å
65	L	82.9	Confident	87.5	Confident	33 Å²	33	64.8 Å²	64.8	17%	0.173	34%	0.338	C	S	.	.			trans	-80	119.3	173	-175.1	65.1	0	0	0	109.7	L67 V161 Y171 L215	L65-L67 HydrophobicContact CD1-CG 4.38Å; L65-L67 HydrophobicContact CD2-CD1 3.53Å; L65-L67 HydrophobicContact CD2-CG 3.89Å; L65-L67 HydrophobicContact CG-CD1 4.09Å; L65-L67 HydrophobicContact CG-CG 3.91Å; L65-V161 HydrophobicContact CD2-CG2 4.22Å; L65-Y171 HydrophobicContact CB-CD1 3.76Å; L65-Y171 HydrophobicContact CB-CD2 3.74Å; L65-Y171 HydrophobicContact CB-CE1 4.08Å; L65-Y171 HydrophobicContact CB-CE2 4.08Å; L65-Y171 HydrophobicContact CB-CG 3.57Å; L65-Y171 HydrophobicContact CD2-CD1 4.2Å; L65-Y171 HydrophobicContact CD2-CG 3.93Å; L65-Y171 HydrophobicContact CG-CG 4.4Å; L65-L215 HydrophobicContact CD2-CD1 4.5Å
66	V	79.1	Confident	86.9	Confident	105 Å²	105	67.4 Å²	67.4	64%	0.636	36%	0.356	S	S	*	.			trans	-101.1	105.8	171.9	-175.9	0	0	0	0	108.2	Q64	Q64-V66 PolarHBondContact O-N 3.4Å
67	L	83.9	Confident	86.6	Confident	31 Å²	31	71.7 Å²	71.7	16%	0.162	38%	0.383	C	S	.	.			trans	-111.6	108.9	174.9	-79.6	166.6	0	0	0	109.9	L65 F71 L138 T159 V161	L65-L67 HydrophobicContact CD1-CG 4.38Å; L65-L67 HydrophobicContact CD2-CD1 3.53Å; L65-L67 HydrophobicContact CD2-CG 3.89Å; L65-L67 HydrophobicContact CG-CD1 4.09Å; L65-L67 HydrophobicContact CG-CG 3.91Å; L67-F71 HydrophobicContact CD1-CZ 4.46Å; L67-L138 HydrophobicContact CD2-CD2 3.89Å; L67-T159 HydrophobicContact CD1-CG2 3.64Å; L67-V161 HydrophobicContact CD1-CG2 3.68Å; L67-V161 HydrophobicContact CD2-CG2 4.25Å
68	N	78.3	Confident	86.3	Confident	147 Å²	147	72.5 Å²	72.5	79%	0.786	39%	0.387	S	S	*	.			trans	-89.8	119.1	171.1	-66.4	-15.4	0	0	0	108.5
69	G	81.9	Confident	86.2	Confident	31 Å²	31	79.8 Å²	79.8	32%	0.32	42%	0.421	S	S	.	.	S	Bend	trans	176.3	151.2	-179.9	0	0	0	0	0	112.1	F71	G69-F71 VanDerWaalsContact O-CD2 3.31Å; G69-F71 WeakPolarHBondContact O-CD2 3.27Å; G69-F71 PolarHBondContact O-N 3.41Å
70	N	87.8	Confident	86.2	Confident	126 Å²	126	80.4 Å²	80.4	67%	0.674	43%	0.425	S	S	*	.			trans	-83.5	96.6	178	-75.1	-12.2	0	0	0	109.9	H72 F133	N70-H72 PolarHBondContact O-CD2 3.1Å; N70-H72 VanDerWaalsContact O-CD2 3.24Å; N70-H72 PolarHBondContact O-N 3.43Å; N70-F133 WeakPolarHBondContact O-CD2 3.38Å
71	F	93	Very high	86.2	Confident	31 Å²	31	84.6 Å²	84.6	14%	0.136	45%	0.451	C	S	.	.			trans	-79.9	115.7	176.9	-76.2	-90.7	0	0	0	111	L67 G69 K131 F133 A140 K142	L67-F71 HydrophobicContact CD1-CZ 4.46Å; G69-F71 VanDerWaalsContact O-CD2 3.31Å; G69-F71 WeakPolarHBondContact O-CD2 3.27Å; G69-F71 PolarHBondContact O-N 3.41Å; F71-K131 HydrophobicContact CB-CB 3.86Å; F71-K131 HydrophobicContact CB-CD 4.1Å; F71-K131 HydrophobicContact CD1-CB 4.27Å; F71-F133 HydrophobicContact CD1-CB 3.7Å; F71-F133 HydrophobicContact CD2-CB 4.32Å; F71-F133 HydrophobicContact CE1-CB 3.62Å; F71-F133 HydrophobicContact CE2-CB 4.24Å; F71-F133 HydrophobicContact CG-CB 4.05Å; F71-F133 HydrophobicContact CZ-CB 3.9Å; F71-A140 HydrophobicContact CE1-CB 3.77Å; F71-A140 HydrophobicContact CZ-CB 3.87Å; F71-K142 HydrophobicContact CD1-CB 4.3Å; F71-K142 HydrophobicContact CD1-CD 3.7Å; F71-K142 HydrophobicContact CD1-CG 3.88Å; F71-K142 HydrophobicContact CD2-CD 4.09Å; F71-K142 HydrophobicContact CE1-CB 4.41Å; F71-K142 HydrophobicContact CE1-CD 3.68Å; F71-K142 HydrophobicContact CE1-CG 3.63Å; F71-K142 HydrophobicContact CE2-CD 4.09Å; F71-K142 HydrophobicContact CG-CD 3.92Å; F71-K142 HydrophobicContact CZ-CD 3.88Å; F71-K142 VanDerWaalsContact CZ-CE 3.41Å; F71-K142 HydrophobicContact CZ-CG 4.15Å
72	H	91.4	Very high	86.2	Confident	108 Å²	108	84.3 Å²	84.3	50%	0.5	45%	0.449	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-91.5	135.9	178.2	-63.3	-79.6	0	0	0	111	N70 F74 K131 V132	N70-H72 PolarHBondContact O-CD2 3.1Å; N70-H72 VanDerWaalsContact O-CD2 3.24Å; N70-H72 PolarHBondContact O-N 3.43Å; H72-F74 HydrophobicContact CB-CD2 4.13Å; H72-F74 HydrophobicContact CB-CE2 3.82Å; H72-F74 HydrophobicContact CB-CZ 4.47Å; H72-F74 VanDerWaalsContact O-CD2 3.27Å; H72-F74 WeakPolarHBondContact O-CD2 3.2Å; H72-K131 CarbonylContact O-C 3.46Å; H72-K131 WeakPolarHBondContact O-CA 3.26Å; H72-K131 WeakPolarHBondContact O-CB 3.31Å; H72-V132 PolarHBondContact N-O 3.34Å; H72-V132 PolarHBondContact O-N 2.92Å
73	P	90.8	Very high	86.5	Confident	97 Å²	97	84.4 Å²	84.4	63%	0.63	45%	0.453	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-67.8	143.6	171.7	30.7	-33.6	0	0	0	110.2
74	F	81	Confident	87.2	Confident	84 Å²	84	79.5 Å²	79.5	37%	0.368	43%	0.43	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-149.5	124.9	-166	-99.1	-48.6	0	0	0	110.7	H72 Q78 L130 V132	H72-F74 HydrophobicContact CB-CD2 4.13Å; H72-F74 HydrophobicContact CB-CE2 3.82Å; H72-F74 HydrophobicContact CB-CZ 4.47Å; H72-F74 VanDerWaalsContact O-CD2 3.27Å; H72-F74 WeakPolarHBondContact O-CD2 3.2Å; F74-Q78 VanDerWaalsContact CB-CD 3.45Å; F74-Q78 VanDerWaalsContact CB-OE1 3.3Å; F74-L130 PolarHBondContact N-O 2.83Å; F74-V132 HydrophobicContact CB-CG2 4.4Å; F74-V132 HydrophobicContact CD2-CB 3.63Å; F74-V132 HydrophobicContact CD2-CG2 3.83Å; F74-V132 HydrophobicContact CE2-CB 3.93Å; F74-V132 HydrophobicContact CG-CG2 4.47Å
75	P	80.7	Confident	88.1	Confident	101 Å²	101	77 Å²	77	66%	0.656	42%	0.421	S	S	*	.	P	Polyproline II helix	trans	-79.2	130.2	175.9	30.2	-31.3	0	0	0	110.7	Q78	P75-Q78 VanDerWaalsContact O-CG 3.32Å; P75-Q78 WeakPolarHBondContact O-CG 3.44Å; P75-Q78 PolarHBondContact O-NE2 3.13Å
76	P	76.2	Confident	88.7	Confident	58 Å²	58	75.6 Å²	75.6	38%	0.377	41%	0.413	S	S	.	.	S	Bend	trans	-79.3	153.4	174.6	28.6	-31.1	0	0	0	112.9	L130	P76-L130 HydrophobicContact CB-CD1 3.9Å; P76-L130 HydrophobicContact CG-CD1 4.12Å
77	P	87.9	Confident	89.5	Confident	90 Å²	90	73.7 Å²	73.7	58%	0.584	40%	0.397	S	S	*	.	S	Bend	cis	-77.2	158.8	-1.5	33.5	-36.2	0	0	0	113	I98	P77-I98 CarbonylContact C-O 3.58Å; P77-I98 VanDerWaalsContact CA-O 3.29Å; P77-I98 WeakPolarHBondContact CA-O 3.26Å
78	Q	87.5	Confident	90	Very high	20 Å²	20	72.2 Å²	72.2	9%	0.093	39%	0.39	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-134.5	132.3	179	-54.6	-144.8	-36	0	0	111.9	F74 P75 I80 V97 I98	F74-Q78 VanDerWaalsContact CB-CD 3.45Å; F74-Q78 VanDerWaalsContact CB-OE1 3.3Å; P75-Q78 VanDerWaalsContact O-CG 3.32Å; P75-Q78 WeakPolarHBondContact O-CG 3.44Å; P75-Q78 PolarHBondContact O-NE2 3.13Å; Q78-I80 HydrophobicContact CB-CD1 4.47Å; Q78-I80 HydrophobicContact CB-CG1 4.38Å; Q78-V97 CarbonylContact O-C 3.45Å; Q78-V97 WeakPolarHBondContact O-CA 3.27Å; Q78-I98 HydrophobicContact CB-CB 4.48Å; Q78-I98 PolarHBondContact N-O 3.5Å; Q78-I98 PolarHBondContact O-N 2.93Å
79	H	93.6	Very high	90.7	Very high	154 Å²	154	65.7 Å²	65.7	71%	0.713	35%	0.354	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-101.8	122.2	171.6	-62.8	-101.3	0	0	0	108.1	V97	H79-V97 WeakPolarHBondContact ND1-CG2 3.07Å
80	I	93.7	Very high	90.9	Very high	30 Å²	30	67.4 Å²	67.4	15%	0.154	36%	0.356	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-132	129.7	-176.6	-59.2	179.4	0	0	0	108.1	Q78 I96 I98 V132 F139	Q78-I80 HydrophobicContact CB-CD1 4.47Å; Q78-I80 HydrophobicContact CB-CG1 4.38Å; I80-I96 PolarHBondContact N-O 2.9Å; I80-I96 PolarHBondContact O-N 3.07Å; I80-I98 HydrophobicContact CD1-CD1 3.76Å; I80-V132 HydrophobicContact CD1-CG1 3.82Å; I80-V132 HydrophobicContact CD1-CG2 4.41Å; I80-F139 HydrophobicContact CD1-CE2 3.95Å; I80-F139 HydrophobicContact CD1-CZ 4.41Å; I80-F139 HydrophobicContact CG2-CE2 4.05Å
81	T	95.8	Very high	91.1	Very high	91 Å²	91	63.8 Å²	63.8	56%	0.558	34%	0.337	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-94.7	121.2	162.7	-53.8	0	0	0	0	107.7	D94	T81-D94 CarbonylContact C-O 3.6Å; T81-D94 VanDerWaalsContact CA-O 3.27Å; T81-D94 WeakPolarHBondContact CA-O 3.22Å; T81-D94 HydrophobicContact CG2-CB 4.31Å
82	T	95.1	Very high	91.2	Very high	8 Å²	8	66.8 Å²	66.8	5%	0.049	35%	0.354	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-66.7	154.2	175.1	49.3	0	0	0	0	110.2	F84 F86 D94 I96 F139	T82-F84 WeakPolarHBondContact CB-O 3.41Å; T82-F84 PolarHBondContact O-N 3.42Å; T82-F84 PolarHBondContact OG1-O 3.46Å; T82-F86 HydrophobicContact CG2-CE1 4.22Å; T82-D94 PolarHBondContact N-O 3.44Å; T82-D94 VanDerWaalsContact OG1-CA 3.29Å; T82-D94 WeakPolarHBondContact OG1-CA 3.48Å; T82-D94 PolarHBondContact OG1-O 3.21Å; T82-I96 HydrophobicContact CG2-CD1 3.69Å; T82-I96 HydrophobicContact CG2-CG1 4.44Å; T82-F139 HydrophobicContact CG2-CB 4.01Å; T82-F139 HydrophobicContact CG2-CD2 4.07Å; T82-F139 HydrophobicContact CG2-CG 4.01Å
83	K	95.5	Very high	91.4	Very high	147 Å²	147	61.7 Å²	61.7	64%	0.639	33%	0.331	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-78.7	6.6	178.8	-59.2	-172.1	-174.8	175.2	0	113.7
84	F	97.1	Very high	91.7	Very high	22 Å²	22	59.4 Å²	59.4	10%	0.096	31%	0.313	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-147.9	151	-178.4	53.2	-98.1	0	0	0	108.3	T82 F86 D135 F139 P164	T82-F84 WeakPolarHBondContact CB-O 3.41Å; T82-F84 PolarHBondContact O-N 3.42Å; T82-F84 PolarHBondContact OG1-O 3.46Å; F84-F86 HydrophobicContact CD2-CB 4.12Å; F84-F86 HydrophobicContact CD2-CD1 4.12Å; F84-F86 HydrophobicContact CE2-CB 4.12Å; F84-F86 AromaticContact CE2-CD1 3.85Å; F84-F86 HydrophobicContact CE2-CD1 3.85Å; F84-F86 HydrophobicContact CE2-CG 4.28Å; F84-D135 WeakPolarHBondContact CD1-O 2.93Å; F84-D135 WeakPolarHBondContact CE1-O 3.21Å; F84-F139 HydrophobicContact CE1-CB 4.45Å; F84-F139 HydrophobicContact CZ-CB 3.9Å; F84-P164 HydrophobicContact CB-CB 4.21Å; F84-P164 HydrophobicContact CB-CG 4.17Å; F84-P164 HydrophobicContact CD1-CG 3.92Å; F84-P164 HydrophobicContact CD2-CB 3.98Å; F84-P164 HydrophobicContact CD2-CG 3.92Å; F84-P164 HydrophobicContact CE1-CG 4.27Å; F84-P164 HydrophobicContact CE2-CG 4.25Å; F84-P164 HydrophobicContact CG-CB 4.07Å; F84-P164 HydrophobicContact CG-CG 3.73Å; F84-P164 HydrophobicContact CZ-CG 4.42Å
85	I	96.7	Very high	92.5	Very high	104 Å²	104	59.9 Å²	59.9	53%	0.533	32%	0.316	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-83.4	140	166.5	-62.7	170.6	0	0	0	107.2	D92 V93 D94	I85-D92 HydrophobicContact CG2-CB 3.67Å; I85-V93 WeakPolarHBondContact CA-O 3.47Å; I85-D94 HydrophobicContact CG1-CB 4.38Å
86	F	96.5	Very high	93.2	Very high	2 Å²	2	55.2 Å²	55.2	1%	0.009	29%	0.286	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-133.8	158.8	174.3	65.3	-83.8	0	0	0	111	T82 F84 Y88 V93 I96 I109 I162 P164	T82-F86 HydrophobicContact CG2-CE1 4.22Å; F84-F86 HydrophobicContact CD2-CB 4.12Å; F84-F86 HydrophobicContact CD2-CD1 4.12Å; F84-F86 HydrophobicContact CE2-CB 4.12Å; F84-F86 AromaticContact CE2-CD1 3.85Å; F84-F86 HydrophobicContact CE2-CD1 3.85Å; F84-F86 HydrophobicContact CE2-CG 4.28Å; F86-Y88 HydrophobicContact CE2-CD2 4.44Å; F86-V93 HydrophobicContact CD1-CG2 4.17Å; F86-V93 VanDerWaalsContact CD1-O 3.22Å; F86-V93 WeakPolarHBondContact CD1-O 3.31Å; F86-V93 HydrophobicContact CD2-CG2 3.69Å; F86-V93 HydrophobicContact CE1-CG2 3.86Å; F86-V93 WeakPolarHBondContact CE1-O 3.26Å; F86-V93 HydrophobicContact CE2-CG2 3.34Å; F86-V93 HydrophobicContact CG-CG2 4.09Å; F86-V93 HydrophobicContact CZ-CB 4.4Å; F86-V93 HydrophobicContact CZ-CG2 3.43Å; F86-V93 VanDerWaalsContact CZ-CG2 3.43Å; F86-V93 PolarHBondContact N-O 3.46Å; F86-V93 WeakPolarHBondContact O-CG2 3.48Å; F86-V93 PolarHBondContact O-N 3.05Å; F86-I96 HydrophobicContact CE1-CD1 4.06Å; F86-I96 HydrophobicContact CZ-CD1 3.98Å; F86-I96 HydrophobicContact CZ-CG1 4.36Å; F86-I109 HydrophobicContact CE2-CG2 4.39Å; F86-I109 HydrophobicContact CZ-CG2 4.14Å; F86-I162 HydrophobicContact CB-CG2 4.43Å; F86-I162 HydrophobicContact CD1-CG2 4.11Å; F86-I162 HydrophobicContact CD2-CG2 3.55Å; F86-I162 HydrophobicContact CE1-CG2 4.25Å; F86-I162 HydrophobicContact CE2-CD1 4.27Å; F86-I162 HydrophobicContact CE2-CG2 3.7Å; F86-I162 HydrophobicContact CG-CG2 3.76Å; F86-I162 HydrophobicContact CZ-CD1 4.12Å; F86-I162 HydrophobicContact CZ-CG2 4.06Å; F86-P164 WeakPolarHBondContact CA-O 3.5Å
87	Q	94	Very high	94.2	Very high	66 Å²	66	53.2 Å²	53.2	31%	0.308	27%	0.272	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-85.7	129.3	178.6	-75.9	-74.8	-29.8	0	0	111.3	N91 D92 G166	Q87-N91 WeakPolarHBondContact CA-O 3.46Å; Q87-D92 PolarHBondContact NE2-OD1 2.81Å; Q87-G166 WeakPolarHBondContact O-CA 3.42Å
88	Y	95.6	Very high	94.5	Very high	0 Å²	0	49 Å²	49	0%	0	25%	0.245	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-136.7	111.5	173.7	-168.3	-90	0	0	0	111	Y56 F86 N90 N91 I109 V115 T117 I168 T189	Y56-Y88 WeakPolarHBondContact OH-CA 3.2Å; F86-Y88 HydrophobicContact CE2-CD2 4.44Å; Y88-N90 VanDerWaalsContact C-N 3.25Å; Y88-N90 PolarHBondContact O-N 3.36Å; Y88-N91 PolarHBondContact N-O 3.26Å; Y88-N91 WeakPolarHBondContact O-CB 3.35Å; Y88-N91 PolarHBondContact O-N 3.34Å; Y88-N91 PolarHBondContact O-ND2 3.48Å; Y88-I109 HydrophobicContact CD1-CD1 4.3Å; Y88-I109 HydrophobicContact CD1-CG2 4.34Å; Y88-I109 HydrophobicContact CD2-CD1 3.41Å; Y88-I109 VanDerWaalsContact CD2-CD1 3.41Å; Y88-I109 HydrophobicContact CE1-CD1 4.19Å; Y88-I109 HydrophobicContact CE2-CD1 3.26Å; Y88-I109 HydrophobicContact CG-CD1 3.93Å; Y88-I109 HydrophobicContact CG-CG2 4.16Å; Y88-V115 HydrophobicContact CD1-CG2 3.99Å; Y88-T117 PolarHBondContact OH-N 3.13Å; Y88-T117 PolarHBondContact OH-O 3.41Å; Y88-I168 HydrophobicContact CD2-CD1 3.75Å; Y88-I168 HydrophobicContact CE2-CD1 3.6Å; Y88-T189 WeakPolarHBondContact CE1-O 3.41Å; Y88-T189 PolarHBondContact OH-N 2.89Å; Y88-T189 PolarHBondContact OH-O 2.88Å
89	Y	91.8	Very high	94.8	Very high	10 Å²	10	50.4 Å²	50.4	4%	0.039	25%	0.25	C	C	.	.	T	Hydrogen-bonded Turn	trans	45.2	49	-172.6	-76.3	-98.3	0	0	0	112.8	Y54 N55 Y56 N91 I188	Y54-Y89 HydrophobicContact CD1-CD1 4.21Å; Y54-Y89 HydrophobicContact CD1-CE1 4.21Å; Y54-Y89 HydrophobicContact CE1-CD1 4.21Å; N55-Y89 HydrophobicContact CB-CD1 4.32Å; Y56-Y89 HydrophobicContact CD2-CE1 4.39Å; Y56-Y89 HydrophobicContact CD2-CE2 4.24Å; Y56-Y89 HydrophobicContact CE2-CD1 4.24Å; Y56-Y89 AromaticContact CE2-CD2 3.56Å; Y56-Y89 HydrophobicContact CE2-CD2 3.56Å; Y56-Y89 HydrophobicContact CE2-CE1 4.19Å; Y56-Y89 AromaticContact CE2-CE2 3.53Å; Y56-Y89 HydrophobicContact CE2-CE2 3.53Å; Y56-Y89 AromaticContact CE2-CG 3.93Å; Y56-Y89 HydrophobicContact CE2-CG 3.93Å; Y56-Y89 AromaticContact CE2-CZ 3.87Å; Y56-Y89 PolarHBondContact OH-N 3.38Å; Y89-N91 VanDerWaalsContact C-N 3.26Å; Y89-N91 PolarHBondContact O-N 3.36Å; Y89-N91 PolarHBondContact O-ND2 3.12Å; Y89-I188 HydrophobicContact CE2-CD1 4.14Å; Y89-I188 HydrophobicContact CE2-CG1 4.43Å
90	N	87.9	Confident	94.7	Very high	67 Å²	67	48.5 Å²	48.5	36%	0.358	24%	0.236	S	C	.	.	T	Hydrogen-bonded Turn	trans	64	20.6	-178.3	-50.9	-27.4	0	0	0	115.5	N55 Y88 N223	N55-N90 PolarHBondContact ND2-ND2 2.98Å; N55-N90 PolarHBondContact OD1-ND2 3.45Å; N55-N90 PolarHBondContact OD1-OD1 3.49Å; Y88-N90 VanDerWaalsContact C-N 3.25Å; Y88-N90 PolarHBondContact O-N 3.36Å; N90-N223 PolarHBondContact ND2-ND2 3.25Å; N90-N223 PolarHBondContact ND2-OD1 2.82Å
91	N	91.6	Very high	94.5	Very high	50 Å²	50	51 Å²	51	27%	0.267	25%	0.247	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-108.8	133.8	169.3	-61.7	-93.2	0	0	0	109.6	Q87 Y88 Y89 V93 V115	Q87-N91 WeakPolarHBondContact CA-O 3.46Å; Y88-N91 PolarHBondContact N-O 3.26Å; Y88-N91 WeakPolarHBondContact O-CB 3.35Å; Y88-N91 PolarHBondContact O-N 3.34Å; Y88-N91 PolarHBondContact O-ND2 3.48Å; Y89-N91 VanDerWaalsContact C-N 3.26Å; Y89-N91 PolarHBondContact O-N 3.36Å; Y89-N91 PolarHBondContact O-ND2 3.12Å; N91-V93 HydrophobicContact CB-CG1 4.09Å; N91-V115 HydrophobicContact CB-CB 4.5Å; N91-V115 HydrophobicContact CB-CG1 4.19Å; N91-V115 HydrophobicContact CB-CG2 4.48Å
92	D	94.2	Very high	94	Very high	93 Å²	93	56.6 Å²	56.6	50%	0.497	26%	0.258	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-71.1	123.4	162.1	-73	-53.6	0	0	0	109.2	I85 Q87 N111	I85-D92 HydrophobicContact CG2-CB 3.67Å; Q87-D92 PolarHBondContact NE2-OD1 2.81Å; D92-N111 PolarHBondContact O-ND2 3.26Å
93	V	96.5	Very high	93.3	Very high	2 Å²	2	56.9 Å²	56.9	1%	0.012	26%	0.263	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-140.2	147.9	-176.2	-69.1	0	0	0	0	111.7	I85 F86 N91 I109 F110 N111 V115	I85-V93 WeakPolarHBondContact CA-O 3.47Å; F86-V93 HydrophobicContact CD1-CG2 4.17Å; F86-V93 VanDerWaalsContact CD1-O 3.22Å; F86-V93 WeakPolarHBondContact CD1-O 3.31Å; F86-V93 HydrophobicContact CD2-CG2 3.69Å; F86-V93 HydrophobicContact CE1-CG2 3.86Å; F86-V93 WeakPolarHBondContact CE1-O 3.26Å; F86-V93 HydrophobicContact CE2-CG2 3.34Å; F86-V93 HydrophobicContact CG-CG2 4.09Å; F86-V93 HydrophobicContact CZ-CB 4.4Å; F86-V93 HydrophobicContact CZ-CG2 3.43Å; F86-V93 VanDerWaalsContact CZ-CG2 3.43Å; F86-V93 PolarHBondContact N-O 3.46Å; F86-V93 WeakPolarHBondContact O-CG2 3.48Å; F86-V93 PolarHBondContact O-N 3.05Å; N91-V93 HydrophobicContact CB-CG1 4.09Å; V93-I109 HydrophobicContact CB-CG2 3.87Å; V93-I109 HydrophobicContact CG1-CG2 3.92Å; V93-I109 HydrophobicContact CG2-CG2 3.66Å; V93-F110 WeakPolarHBondContact CG1-O 2.99Å; V93-N111 HydrophobicContact CG1-CB 4.14Å; V93-V115 HydrophobicContact CG1-CG2 3.69Å
94	D	96.2	Very high	93.2	Very high	48 Å²	48	53.4 Å²	53.4	26%	0.257	25%	0.248	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-141.7	-9.1	173.2	64.6	-12.9	0	0	0	112.7	T81 T82 I85	T81-D94 CarbonylContact C-O 3.6Å; T81-D94 VanDerWaalsContact CA-O 3.27Å; T81-D94 WeakPolarHBondContact CA-O 3.22Å; T81-D94 HydrophobicContact CG2-CB 4.31Å; T82-D94 PolarHBondContact N-O 3.44Å; T82-D94 VanDerWaalsContact OG1-CA 3.29Å; T82-D94 WeakPolarHBondContact OG1-CA 3.48Å; T82-D94 PolarHBondContact OG1-O 3.21Å; I85-D94 HydrophobicContact CG1-CB 4.38Å
95	Q	97.5	Very high	93.1	Very high	95 Å²	95	52.6 Å²	52.6	44%	0.444	25%	0.245	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-97.3	128.2	-179.1	-66.2	-174.9	1.4	0	0	111.8	F110	Q95-F110 HydrophobicContact CB-CB 3.89Å; Q95-F110 PolarHBondContact O-N 2.88Å
96	I	97	Very high	93.1	Very high	2 Å²	2	48.2 Å²	48.2	1%	0.01	22%	0.223	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-131.3	137	-177.2	-66.4	-179.1	0	0	0	110.1	I80 T82 F86 I98 I107 E108 F139 I162	I80-I96 PolarHBondContact N-O 2.9Å; I80-I96 PolarHBondContact O-N 3.07Å; T82-I96 HydrophobicContact CG2-CD1 3.69Å; T82-I96 HydrophobicContact CG2-CG1 4.44Å; F86-I96 HydrophobicContact CE1-CD1 4.06Å; F86-I96 HydrophobicContact CZ-CD1 3.98Å; F86-I96 HydrophobicContact CZ-CG1 4.36Å; I96-I98 HydrophobicContact CG2-CG1 3.92Å; I96-I107 HydrophobicContact CG2-CG2 3.35Å; I96-E108 CarbonylContact C-O 3.56Å; I96-E108 WeakPolarHBondContact CA-O 3.49Å; I96-F139 HydrophobicContact CD1-CD1 3.79Å; I96-F139 HydrophobicContact CD1-CE1 3.56Å; I96-F139 HydrophobicContact CD1-CG 4.33Å; I96-F139 HydrophobicContact CD1-CZ 3.94Å; I96-F139 HydrophobicContact CG2-CE1 4.23Å; I96-F139 HydrophobicContact CG2-CZ 3.97Å; I96-I162 HydrophobicContact CD1-CD1 3.94Å
97	V	96.2	Very high	93.1	Very high	16 Å²	16	48.3 Å²	48.3	10%	0.097	22%	0.224	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-118.2	118.5	169.4	-172.6	0	0	0	0	110.9	Q78 H79 Y99 I107 E108 F110	Q78-V97 CarbonylContact O-C 3.45Å; Q78-V97 WeakPolarHBondContact O-CA 3.27Å; H79-V97 WeakPolarHBondContact ND1-CG2 3.07Å; V97-Y99 HydrophobicContact CG1-CD1 4.15Å; V97-I107 CarbonylContact O-C 3.51Å; V97-I107 WeakPolarHBondContact O-CA 3.21Å; V97-E108 HydrophobicContact CB-CB 4.43Å; V97-E108 PolarHBondContact N-O 2.97Å; V97-E108 PolarHBondContact O-N 3.06Å; V97-F110 HydrophobicContact CB-CD2 4.48Å; V97-F110 HydrophobicContact CB-CE2 3.8Å; V97-F110 HydrophobicContact CG2-CD2 3.87Å; V97-F110 HydrophobicContact CG2-CE2 3.44Å; V97-F110 VanDerWaalsContact CG2-CE2 3.44Å; V97-F110 HydrophobicContact CG2-CZ 4.23Å
98	I	95.3	Very high	93.3	Very high	1 Å²	1	46.9 Å²	46.9	1%	0.005	22%	0.217	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-105.6	126.2	-179.9	-44.1	169.2	0	0	0	110	P77 Q78 I80 I96 L106 I107 L130 V132 F139 V141	P77-I98 CarbonylContact C-O 3.58Å; P77-I98 VanDerWaalsContact CA-O 3.29Å; P77-I98 WeakPolarHBondContact CA-O 3.26Å; Q78-I98 HydrophobicContact CB-CB 4.48Å; Q78-I98 PolarHBondContact N-O 3.5Å; Q78-I98 PolarHBondContact O-N 2.93Å; I80-I98 HydrophobicContact CD1-CD1 3.76Å; I96-I98 HydrophobicContact CG2-CG1 3.92Å; I98-L106 WeakPolarHBondContact CA-O 3.32Å; I98-I107 HydrophobicContact CG2-CG1 4.27Å; I98-L130 HydrophobicContact CG2-CD1 3.68Å; I98-L130 HydrophobicContact CG2-CD2 4.17Å; I98-V132 HydrophobicContact CD1-CG1 4.33Å; I98-V132 HydrophobicContact CD1-CG2 3.57Å; I98-F139 HydrophobicContact CD1-CZ 3.83Å; I98-F139 HydrophobicContact CG1-CZ 4.37Å; I98-V141 HydrophobicContact CD1-CG1 4.39Å; I98-V141 HydrophobicContact CD1-CG2 3.67Å; I98-V141 HydrophobicContact CG1-CG2 4.43Å; I98-V141 HydrophobicContact CG2-CG1 4.21Å
99	Y	93.1	Very high	93.4	Very high	50 Å²	50	46.9 Å²	46.9	20%	0.196	22%	0.217	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-156.2	172.5	176.5	66.9	-77.3	0	0	0	113.7	V97 H101 L106 E108	V97-Y99 HydrophobicContact CG1-CD1 4.15Å; Y99-H101 HydrophobicContact CD2-CB 3.85Å; Y99-H101 HydrophobicContact CE2-CB 3.47Å; Y99-H101 VanDerWaalsContact CE2-CB 3.47Å; Y99-L106 HydrophobicContact CD1-CB 4.32Å; Y99-L106 HydrophobicContact CE1-CB 4.04Å; Y99-L106 HydrophobicContact CE1-CD1 4.32Å; Y99-L106 HydrophobicContact CE2-CD1 3.75Å; Y99-L106 PolarHBondContact N-O 3.35Å; Y99-L106 PolarHBondContact O-N 2.97Å; Y99-L106 WeakPolarHBondContact OH-CD1 3.49Å; Y99-E108 HydrophobicContact CE1-CB 4.48Å; Y99-E108 VanDerWaalsContact CE1-CD 3.42Å; Y99-E108 HydrophobicContact CE1-CG 3.76Å; Y99-E108 WeakPolarHBondContact CE1-OE2 3.35Å; Y99-E108 VanDerWaalsContact OH-CD 3.23Å; Y99-E108 PolarHBondContact OH-OE1 3.43Å
100	R	91.1	Very high	93.6	Very high	114 Å²	114	48.6 Å²	48.6	43%	0.43	22%	0.224	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-103	130.8	171.2	168.6	179.2	148.2	62.7	-11.1	109.6	K104 F125 F128	R100-K104 VanDerWaalsContact CA-O 3.29Å; R100-K104 WeakPolarHBondContact CA-O 3.34Å; R100-F125 HydrophobicContact CG-CZ 4.09Å; R100-F125 VanDerWaalsContact CZ-CZ 3.41Å; R100-F128 HydrophobicContact CB-CD1 3.71Å; R100-F128 HydrophobicContact CB-CE1 3.84Å; R100-F128 HydrophobicContact CB-CG 4.5Å; R100-F128 HydrophobicContact CG-CD1 4.27Å
101	H	90.6	Very high	93.7	Very high	82 Å²	82	48.5 Å²	48.5	38%	0.38	22%	0.224	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-146.9	133.4	172.7	176.4	-110.9	0	0	0	111.9	Y99 G103 K104 L106	Y99-H101 HydrophobicContact CD2-CB 3.85Å; Y99-H101 HydrophobicContact CE2-CB 3.47Å; Y99-H101 VanDerWaalsContact CE2-CB 3.47Å; H101-G103 VanDerWaalsContact C-N 3.28Å; H101-G103 PolarHBondContact O-N 3.17Å; H101-G103 VanDerWaalsContact O-N 3.08Å; H101-K104 PolarHBondContact N-O 3.43Å; H101-K104 WeakPolarHBondContact O-CA 3.33Å; H101-K104 VanDerWaalsContact O-CB 3.31Å; H101-K104 WeakPolarHBondContact O-CB 3.24Å; H101-K104 PolarHBondContact O-N 3Å; H101-L106 HydrophobicContact CB-CD1 3.81Å
102	R	85.1	Confident	93.5	Very high	209 Å²	209	53.9 Å²	53.9	79%	0.789	25%	0.253	S	S	*	.	T	Hydrogen-bonded Turn	trans	43.6	45.3	176.2	-65.2	-178.8	-173.1	-169.3	-0.7	115
103	G	80.9	Confident	93.3	Very high	15 Å²	15	54.5 Å²	54.5	16%	0.155	25%	0.251	C	S	.	.	T	Hydrogen-bonded Turn	trans	79.9	13.9	179.8	0	0	0	0	0	115	H101 Y121 I122 F125	H101-G103 VanDerWaalsContact C-N 3.28Å; H101-G103 PolarHBondContact O-N 3.17Å; H101-G103 VanDerWaalsContact O-N 3.08Å; G103-Y121 WeakPolarHBondContact O-CD2 3.41Å; G103-I122 PolarHBondContact O-N 3.33Å; G103-F125 VanDerWaalsContact C-CE1 3.45Å; G103-F125 VanDerWaalsContact O-CE1 3.29Å; G103-F125 WeakPolarHBondContact O-CE1 3.18Å
104	K	92.6	Very high	93.2	Very high	74 Å²	74	58.1 Å²	58.1	32%	0.322	27%	0.267	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-116.9	144.5	176.9	-54.9	175.4	-178.5	-179.9	0	110.4	R100 H101 L106 N120 Y121	R100-K104 VanDerWaalsContact CA-O 3.29Å; R100-K104 WeakPolarHBondContact CA-O 3.34Å; H101-K104 PolarHBondContact N-O 3.43Å; H101-K104 WeakPolarHBondContact O-CA 3.33Å; H101-K104 VanDerWaalsContact O-CB 3.31Å; H101-K104 WeakPolarHBondContact O-CB 3.24Å; H101-K104 PolarHBondContact O-N 3Å; K104-L106 HydrophobicContact CB-CD2 3.75Å; K104-L106 HydrophobicContact CB-CG 4.01Å; K104-L106 HydrophobicContact CD-CD2 4.07Å; K104-N120 CarbonylContact C-O 3.47Å; K104-N120 VanDerWaalsContact CA-O 3.25Å; K104-N120 WeakPolarHBondContact CA-O 3.28Å; K104-Y121 HydrophobicContact CG-CD2 3.75Å; K104-Y121 HydrophobicContact CG-CG 4.38Å
105	G	94.6	Very high	93.2	Very high	4 Å²	4	56 Å²	56	4%	0.041	26%	0.255	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-88.9	121.3	154.5	0	0	0	0	0	107.7	N120	G105-N120 PolarHBondContact N-O 3.28Å; G105-N120 PolarHBondContact O-N 2.67Å
106	L	96.4	Very high	93.1	Very high	13 Å²	13	51.4 Å²	51.4	7%	0.068	23%	0.234	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-115.4	140.5	-176.8	-60.4	178.8	0	0	0	109.6	I98 Y99 H101 K104 T117	I98-L106 WeakPolarHBondContact CA-O 3.32Å; Y99-L106 HydrophobicContact CD1-CB 4.32Å; Y99-L106 HydrophobicContact CE1-CB 4.04Å; Y99-L106 HydrophobicContact CE1-CD1 4.32Å; Y99-L106 HydrophobicContact CE2-CD1 3.75Å; Y99-L106 PolarHBondContact N-O 3.35Å; Y99-L106 PolarHBondContact O-N 2.97Å; Y99-L106 WeakPolarHBondContact OH-CD1 3.49Å; H101-L106 HydrophobicContact CB-CD1 3.81Å; K104-L106 HydrophobicContact CB-CD2 3.75Å; K104-L106 HydrophobicContact CB-CG 4.01Å; K104-L106 HydrophobicContact CD-CD2 4.07Å; L106-T117 HydrophobicContact CB-CG2 4.4Å; L106-T117 HydrophobicContact CD2-CG2 4.04Å
107	I	97.4	Very high	93.2	Very high	4 Å²	4	51.9 Å²	51.9	2%	0.021	24%	0.237	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-123.6	99.6	167.4	-54.5	169.1	0	0	0	104.3	I96 V97 I98 T117 I118 V141 N160	I96-I107 HydrophobicContact CG2-CG2 3.35Å; V97-I107 CarbonylContact O-C 3.51Å; V97-I107 WeakPolarHBondContact O-CA 3.21Å; I98-I107 HydrophobicContact CG2-CG1 4.27Å; I107-T117 CarbonylContact O-C 3.49Å; I107-T117 WeakPolarHBondContact O-CA 2.97Å; I107-I118 HydrophobicContact CB-CB 4.1Å; I107-I118 HydrophobicContact CD1-CB 4.36Å; I107-I118 HydrophobicContact CD1-CD1 4.5Å; I107-I118 HydrophobicContact CD1-CG2 4.24Å; I107-I118 PolarHBondContact N-O 3.38Å; I107-I118 PolarHBondContact O-N 3.43Å; I107-V141 HydrophobicContact CD1-CB 3.91Å; I107-V141 HydrophobicContact CD1-CG1 4.32Å; I107-V141 HydrophobicContact CD1-CG2 3.78Å; I107-V141 HydrophobicContact CG1-CG2 4.4Å; I107-N160 HydrophobicContact CD1-CB 3.94Å
108	E	97.4	Very high	93.3	Very high	35 Å²	35	51.1 Å²	51.1	16%	0.164	23%	0.232	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-83.1	141.1	173.2	-73.7	-178.1	168.2	0	0	109.6	I96 V97 Y99 F110 K114 T117	I96-E108 CarbonylContact C-O 3.56Å; I96-E108 WeakPolarHBondContact CA-O 3.49Å; V97-E108 HydrophobicContact CB-CB 4.43Å; V97-E108 PolarHBondContact N-O 2.97Å; V97-E108 PolarHBondContact O-N 3.06Å; Y99-E108 HydrophobicContact CE1-CB 4.48Å; Y99-E108 VanDerWaalsContact CE1-CD 3.42Å; Y99-E108 HydrophobicContact CE1-CG 3.76Å; Y99-E108 WeakPolarHBondContact CE1-OE2 3.35Å; Y99-E108 VanDerWaalsContact OH-CD 3.23Å; Y99-E108 PolarHBondContact OH-OE1 3.43Å; E108-F110 HydrophobicContact CB-CD2 4.22Å; E108-F110 HydrophobicContact CB-CE2 3.35Å; E108-F110 HydrophobicContact CB-CZ 3.92Å; E108-F110 WeakPolarHBondContact OE2-CZ 3.41Å; E108-K114 HydrophobicContact CG-CD 4.25Å; E108-T117 HydrophobicContact CG-CG2 4.18Å
109	I	98	Very high	93.4	Very high	0 Å²	0	51.4 Å²	51.4	0%	0	23%	0.234	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-118.9	130.7	-173.2	-62.2	168.7	0	0	0	107.5	F86 Y88 V93 V115 G116 I118	F86-I109 HydrophobicContact CE2-CG2 4.39Å; F86-I109 HydrophobicContact CZ-CG2 4.14Å; Y88-I109 HydrophobicContact CD1-CD1 4.3Å; Y88-I109 HydrophobicContact CD1-CG2 4.34Å; Y88-I109 HydrophobicContact CD2-CD1 3.41Å; Y88-I109 VanDerWaalsContact CD2-CD1 3.41Å; Y88-I109 HydrophobicContact CE1-CD1 4.19Å; Y88-I109 HydrophobicContact CE2-CD1 3.26Å; Y88-I109 HydrophobicContact CG-CD1 3.93Å; Y88-I109 HydrophobicContact CG-CG2 4.16Å; V93-I109 HydrophobicContact CB-CG2 3.87Å; V93-I109 HydrophobicContact CG1-CG2 3.92Å; V93-I109 HydrophobicContact CG2-CG2 3.66Å; I109-V115 HydrophobicContact CB-CG2 4.32Å; I109-V115 HydrophobicContact CG2-CG2 3.83Å; I109-V115 WeakPolarHBondContact O-CG2 3.21Å; I109-V115 PolarHBondContact O-N 3.19Å; I109-G116 PolarHBondContact N-O 2.87Å; I109-G116 PolarHBondContact O-N 3.39Å; I109-I118 HydrophobicContact CD1-CD1 4.1Å; I109-I118 HydrophobicContact CD1-CG1 4.22Å
110	F	96.2	Very high	93.6	Very high	46 Å²	46	49 Å²	49	20%	0.202	23%	0.225	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-128	144.1	-171.1	-65.7	-97.6	0	0	0	111	V93 Q95 V97 E108 K113 K114	V93-F110 WeakPolarHBondContact CG1-O 2.99Å; Q95-F110 HydrophobicContact CB-CB 3.89Å; Q95-F110 PolarHBondContact O-N 2.88Å; V97-F110 HydrophobicContact CB-CD2 4.48Å; V97-F110 HydrophobicContact CB-CE2 3.8Å; V97-F110 HydrophobicContact CG2-CD2 3.87Å; V97-F110 HydrophobicContact CG2-CE2 3.44Å; V97-F110 VanDerWaalsContact CG2-CE2 3.44Å; V97-F110 HydrophobicContact CG2-CZ 4.23Å; E108-F110 HydrophobicContact CB-CD2 4.22Å; E108-F110 HydrophobicContact CB-CE2 3.35Å; E108-F110 HydrophobicContact CB-CZ 3.92Å; E108-F110 WeakPolarHBondContact OE2-CZ 3.41Å; F110-K113 WeakPolarHBondContact CA-O 3.3Å; F110-K114 HydrophobicContact CD1-CB 3.86Å; F110-K114 HydrophobicContact CD1-CG 4.28Å; F110-K114 HydrophobicContact CE1-CB 3.57Å; F110-K114 HydrophobicContact CE1-CG 3.86Å; F110-K114 HydrophobicContact CE2-CG 4.46Å; F110-K114 HydrophobicContact CZ-CB 4.18Å; F110-K114 HydrophobicContact CZ-CG 3.95Å
111	N	89.4	Confident	93.8	Very high	65 Å²	65	46 Å²	46	35%	0.348	21%	0.214	S	C	.	.	S	Bend	trans	-110.6	-132.8	150.6	-172.8	-6.8	0	0	0	105.9	D92 V93 K113 V115	D92-N111 PolarHBondContact O-ND2 3.26Å; V93-N111 HydrophobicContact CG1-CB 4.14Å; N111-K113 PolarHBondContact N-O 2.03Å; N111-K113 PolarHBondContact O-N 3.1Å; N111-V115 HydrophobicContact CB-CG1 4.28Å
112	D	87.4	Confident	94.1	Very high	163 Å²	163	42 Å²	42	87%	0.872	20%	0.196	S	C	*	.	S	Bend	trans	-52.3	-27.5	167.3	-63.8	-31.7	0	0	0	113.4
113	K	91.2	Very high	94.5	Very high	107 Å²	107	37 Å²	37	47%	0.465	18%	0.176	S	C	.	.	S	Bend	trans	-139.9	168.5	176.3	65.1	-179.2	-177.6	174.8	0	110.1	F110 N111 V115	F110-K113 WeakPolarHBondContact CA-O 3.3Å; N111-K113 PolarHBondContact N-O 2.03Å; N111-K113 PolarHBondContact O-N 3.1Å; K113-V115 PolarHBondContact O-N 2.94Å
114	K	94.6	Very high	94.9	Very high	78 Å²	78	42.8 Å²	42.8	34%	0.339	20%	0.198	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-61.4	126.2	171.7	-160	-166.5	73.7	171.6	0	109.4	E108 F110 D191	E108-K114 HydrophobicContact CG-CD 4.25Å; F110-K114 HydrophobicContact CD1-CB 3.86Å; F110-K114 HydrophobicContact CD1-CG 4.28Å; F110-K114 HydrophobicContact CE1-CB 3.57Å; F110-K114 HydrophobicContact CE1-CG 3.86Å; F110-K114 HydrophobicContact CE2-CG 4.46Å; F110-K114 HydrophobicContact CZ-CB 4.18Å; F110-K114 HydrophobicContact CZ-CG 3.95Å; K114-D191 WeakPolarHBondContact CE-OD2 3.24Å; K114-D191 IonicContact NZ-OD2 3.31Å; K114-D191 PolarHBondContact NZ-OD2 3.43Å
115	V	95	Very high	94.7	Very high	2 Å²	2	40 Å²	40	1%	0.012	19%	0.186	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-109.4	-11	177.1	-58.9	0	0	0	0	112.5	Y88 N91 V93 I109 N111 K113 D191	Y88-V115 HydrophobicContact CD1-CG2 3.99Å; N91-V115 HydrophobicContact CB-CB 4.5Å; N91-V115 HydrophobicContact CB-CG1 4.19Å; N91-V115 HydrophobicContact CB-CG2 4.48Å; V93-V115 HydrophobicContact CG1-CG2 3.69Å; I109-V115 HydrophobicContact CB-CG2 4.32Å; I109-V115 HydrophobicContact CG2-CG2 3.83Å; I109-V115 WeakPolarHBondContact O-CG2 3.21Å; I109-V115 PolarHBondContact O-N 3.19Å; N111-V115 HydrophobicContact CB-CG1 4.28Å; K113-V115 PolarHBondContact O-N 2.94Å; V115-D191 PolarHBondContact O-N 2.96Å
116	G	96.5	Very high	94.5	Very high	0 Å²	0	43 Å²	43	0%	0	21%	0.206	C	C	.	.	E	Extended strand (participates in β ladder)	trans	166.1	-164.1	174.3	0	0	0	0	0	115.3	I109 T189	I109-G116 PolarHBondContact N-O 2.87Å; I109-G116 PolarHBondContact O-N 3.39Å; G116-T189 CarbonylContact C-O 3.39Å; G116-T189 WeakPolarHBondContact CA-O 2.76Å
117	T	97.6	Very high	94.3	Very high	11 Å²	11	47.4 Å²	47.4	7%	0.067	23%	0.225	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-155.5	136	-171.2	-53.2	0	0	0	0	112.4	Y88 L106 I107 E108 I188 T189	Y88-T117 PolarHBondContact OH-N 3.13Å; Y88-T117 PolarHBondContact OH-O 3.41Å; L106-T117 HydrophobicContact CB-CG2 4.4Å; L106-T117 HydrophobicContact CD2-CG2 4.04Å; I107-T117 CarbonylContact O-C 3.49Å; I107-T117 WeakPolarHBondContact O-CA 2.97Å; E108-T117 HydrophobicContact CG-CG2 4.18Å; T117-I188 CarbonylContact O-C 3.47Å; T117-I188 WeakPolarHBondContact O-CA 3.44Å; T117-T189 WeakPolarHBondContact CB-OG1 3.12Å; T117-T189 PolarHBondContact N-O 3.45Å; T117-T189 PolarHBondContact N-OG1 3.32Å; T117-T189 PolarHBondContact O-N 3.35Å; T117-T189 PolarHBondContact O-OG1 2.83Å
118	I	98.2	Very high	94.1	Very high	0 Å²	0	48.7 Å²	48.7	0%	0	23%	0.23	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-95	126.2	160	-61.1	161.3	0	0	0	107.9	I107 I109 N160 I162 I168 F170 I188	I107-I118 HydrophobicContact CB-CB 4.1Å; I107-I118 HydrophobicContact CD1-CB 4.36Å; I107-I118 HydrophobicContact CD1-CD1 4.5Å; I107-I118 HydrophobicContact CD1-CG2 4.24Å; I107-I118 PolarHBondContact N-O 3.38Å; I107-I118 PolarHBondContact O-N 3.43Å; I109-I118 HydrophobicContact CD1-CD1 4.1Å; I109-I118 HydrophobicContact CD1-CG1 4.22Å; I118-N160 WeakPolarHBondContact CG2-OD1 3.44Å; I118-I162 HydrophobicContact CD1-CD1 3.84Å; I118-I162 HydrophobicContact CD1-CG1 4.23Å; I118-I168 HydrophobicContact CD1-CD1 4.36Å; I118-I168 HydrophobicContact CD1-CG2 3.9Å; I118-F170 HydrophobicContact CG2-CE1 3.53Å; I118-F170 HydrophobicContact CG2-CZ 3.5Å; I118-F170 VanDerWaalsContact CG2-CZ 3.5Å; I118-I188 HydrophobicContact CG1-CG2 3.88Å
119	S	97.7	Very high	93.9	Very high	7 Å²	7	53.2 Å²	53.2	5%	0.049	25%	0.249	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-128.3	127.9	-174.7	165.1	0	0	0	0	111.5	S186 K187	S119-S186 VanDerWaalsContact O-CA 3.29Å; S119-S186 WeakPolarHBondContact O-CA 3.08Å; S119-K187 PolarHBondContact N-O 3.27Å; S119-K187 PolarHBondContact O-N 3.22Å
120	N	97.8	Very high	93.7	Very high	1 Å²	1	53.6 Å²	53.6	1%	0.005	25%	0.251	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-120.1	121.7	170.9	-70.3	-74.6	0	0	0	110.3	K104 G105 F145 I158 N160 S186	K104-N120 CarbonylContact C-O 3.47Å; K104-N120 VanDerWaalsContact CA-O 3.25Å; K104-N120 WeakPolarHBondContact CA-O 3.28Å; G105-N120 PolarHBondContact N-O 3.28Å; G105-N120 PolarHBondContact O-N 2.67Å; N120-F145 HydrophobicContact CB-CE2 4.2Å; N120-F145 HydrophobicContact CB-CZ 3.93Å; N120-F145 WeakPolarHBondContact O-CZ 3.32Å; N120-I158 HydrophobicContact CB-CD1 4.08Å; N120-N160 VanDerWaalsContact ND2-CG 3.34Å; N120-N160 PolarHBondContact ND2-ND2 3.11Å; N120-N160 PolarHBondContact ND2-OD1 2.89Å; N120-S186 WeakPolarHBondContact OD1-CB 3.44Å; N120-S186 PolarHBondContact OD1-OG 2.91Å
121	Y	96.2	Very high	93.7	Very high	49 Å²	49	56.3 Å²	56.3	19%	0.192	26%	0.263	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-114.2	128.6	-177.3	174.4	-106.7	0	0	0	110.3	G103 K104 R123 R184 K185	G103-Y121 WeakPolarHBondContact O-CD2 3.41Å; K104-Y121 HydrophobicContact CG-CD2 3.75Å; K104-Y121 HydrophobicContact CG-CG 4.38Å; Y121-R123 HydrophobicContact CE1-CB 3.88Å; Y121-R123 WeakPolarHBondContact OH-CB 3.22Å; Y121-R123 WeakPolarHBondContact OH-CG 3.28Å; Y121-R184 VanDerWaalsContact O-CA 3.29Å; Y121-R184 WeakPolarHBondContact O-CA 3.34Å; Y121-K185 WeakPolarHBondContact CB-O 3.48Å; Y121-K185 HydrophobicContact CD1-CB 4.22Å; Y121-K185 PolarHBondContact N-O 3.4Å; Y121-K185 PolarHBondContact O-N 3.5Å
122	I	95.2	Very high	93.9	Very high	0 Å²	0	53.4 Å²	53.4	0%	0	25%	0.248	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-128.4	126.7	165.5	-61.9	-66.5	0	0	0	107.2	G103 F125 F145 A156 I179 E183 R184	G103-I122 PolarHBondContact O-N 3.33Å; I122-F125 HydrophobicContact CB-CD1 4.45Å; I122-F125 WeakPolarHBondContact O-CD1 3.26Å; I122-F145 HydrophobicContact CB-CB 3.85Å; I122-F145 HydrophobicContact CB-CD1 3.87Å; I122-F145 HydrophobicContact CB-CD2 4.39Å; I122-F145 HydrophobicContact CB-CE1 4.48Å; I122-F145 HydrophobicContact CB-CG 3.79Å; I122-F145 HydrophobicContact CG1-CB 3.87Å; I122-F145 HydrophobicContact CG1-CD1 4.03Å; I122-F145 HydrophobicContact CG1-CD2 3.67Å; I122-F145 HydrophobicContact CG1-CE1 4.46Å; I122-F145 HydrophobicContact CG1-CE2 4.17Å; I122-F145 HydrophobicContact CG1-CG 3.59Å; I122-F145 HydrophobicContact CG2-CB 4.07Å; I122-A156 HydrophobicContact CD1-CB 4.05Å; I122-A156 HydrophobicContact CG1-CB 4.11Å; I122-I179 HydrophobicContact CD1-CD1 4.43Å; I122-I179 HydrophobicContact CD1-CG2 4.32Å; I122-I179 HydrophobicContact CG2-CD1 3.97Å; I122-I179 HydrophobicContact CG2-CG2 4.5Å; I122-E183 CarbonylContact C-O 3.59Å; I122-E183 WeakPolarHBondContact CA-O 3.38Å; I122-R184 HydrophobicContact CD1-CB 3.84Å
123	R	93.5	Very high	94.2	Very high	102 Å²	102	47.2 Å²	47.2	39%	0.385	21%	0.213	S	C	.	.	T	Hydrogen-bonded Turn	trans	-77.1	136.9	-175.7	-167.2	173.8	-178.7	133.1	-1.5	111.5	Y121 F125 K147 E183	Y121-R123 HydrophobicContact CE1-CB 3.88Å; Y121-R123 WeakPolarHBondContact OH-CB 3.22Å; Y121-R123 WeakPolarHBondContact OH-CG 3.28Å; R123-F125 PolarHBondContact O-N 3.49Å; R123-K147 PolarHBondContact O-NZ 3.47Å; R123-E183 HydrophobicContact CB-CB 3.73Å; R123-E183 HydrophobicContact CB-CG 4.06Å; R123-E183 PolarHBondContact N-O 2.93Å
124	F	89.5	Confident	94.3	Very high	138 Å²	138	43.7 Å²	43.7	61%	0.605	20%	0.202	S	C	*	.	T	Hydrogen-bonded Turn	trans	60.2	34.3	173	-51.5	-52.2	0	0	0	115.7	K147	F124-K147 WeakPolarHBondContact O-CG 3.33Å
125	F	90.2	Very high	94.3	Very high	15 Å²	15	41.6 Å²	41.6	7%	0.066	19%	0.194	C	C	.	.			trans	-71.3	144.3	168.1	68.9	-103.8	0	0	0	111.1	R100 G103 I122 R123 K127 F128 F145 I146	R100-F125 HydrophobicContact CG-CZ 4.09Å; R100-F125 VanDerWaalsContact CZ-CZ 3.41Å; G103-F125 VanDerWaalsContact C-CE1 3.45Å; G103-F125 VanDerWaalsContact O-CE1 3.29Å; G103-F125 WeakPolarHBondContact O-CE1 3.18Å; I122-F125 HydrophobicContact CB-CD1 4.45Å; I122-F125 WeakPolarHBondContact O-CD1 3.26Å; R123-F125 PolarHBondContact O-N 3.49Å; F125-K127 WeakPolarHBondContact CD2-O 3.01Å; F125-F128 HydrophobicContact CD2-CB 4.17Å; F125-F128 HydrophobicContact CE2-CB 3.48Å; F125-F128 VanDerWaalsContact CE2-CB 3.48Å; F125-F128 HydrophobicContact CE2-CD2 4.46Å; F125-F128 HydrophobicContact CE2-CG 4.25Å; F125-F128 HydrophobicContact CZ-CB 3.95Å; F125-F128 HydrophobicContact CZ-CD2 4.17Å; F125-F128 HydrophobicContact CZ-CG 4.23Å; F125-F145 HydrophobicContact CB-CB 4.25Å; F125-F145 HydrophobicContact CD1-CB 4.43Å; F125-F145 AromaticContact CD1-CD1 3.52Å; F125-F145 HydrophobicContact CD1-CD1 3.52Å; F125-F145 HydrophobicContact CD1-CE1 4.28Å; F125-F145 HydrophobicContact CD1-CG 4.45Å; F125-F145 AromaticContact CE1-CD1 3.4Å; F125-F145 HydrophobicContact CE1-CD1 3.4Å; F125-F145 AromaticContact CE1-CE1 3.73Å; F125-F145 HydrophobicContact CE1-CE1 3.73Å; F125-F145 HydrophobicContact CG-CB 4.47Å; F125-F145 HydrophobicContact CG-CD1 4.16Å; F125-F145 AromaticContact CZ-CD1 3.97Å; F125-F145 HydrophobicContact CZ-CD1 3.97Å; F125-F145 HydrophobicContact CZ-CE1 4.23Å; F125-I146 CarbonylContact C-O 3.5Å; F125-I146 WeakPolarHBondContact CA-O 3.27Å; F125-I146 WeakPolarHBondContact CB-O 3.49Å
126	S	89.5	Confident	94.3	Very high	66 Å²	66	46.7 Å²	46.7	46%	0.462	22%	0.221	S	C	.	.	S	Bend	trans	-90.5	-34.2	177.4	56.4	0	0	0	0	112.5	I146	S126-I146 PolarHBondContact N-O 3.12Å; S126-I146 PolarHBondContact OG-O 3.12Å; S126-I146 VanDerWaalsContact OG-O 3.1Å
127	K	92.5	Very high	94.3	Very high	107 Å²	107	53.5 Å²	53.5	47%	0.465	25%	0.251	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-131.9	150.8	178.1	-55.2	169.7	-177.8	161.5	0	110.5	F125 I146 E153	F125-K127 WeakPolarHBondContact CD2-O 3.01Å; K127-I146 HydrophobicContact CB-CB 4.06Å; K127-I146 HydrophobicContact CB-CD1 3.98Å; K127-I146 PolarHBondContact N-O 3.31Å; K127-I146 VanDerWaalsContact N-O 3.15Å; K127-I146 PolarHBondContact O-N 2.88Å; K127-E153 IonicContact NZ-OE1 3.17Å
128	F	92.8	Very high	94.2	Very high	30 Å²	30	53.9 Å²	53.9	13%	0.132	25%	0.252	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-132.8	129.3	175.8	-179.6	-113.1	0	0	0	109.1	R100 F125 L130 S144 F145	R100-F128 HydrophobicContact CB-CD1 3.71Å; R100-F128 HydrophobicContact CB-CE1 3.84Å; R100-F128 HydrophobicContact CB-CG 4.5Å; R100-F128 HydrophobicContact CG-CD1 4.27Å; F125-F128 HydrophobicContact CD2-CB 4.17Å; F125-F128 HydrophobicContact CE2-CB 3.48Å; F125-F128 VanDerWaalsContact CE2-CB 3.48Å; F125-F128 HydrophobicContact CE2-CD2 4.46Å; F125-F128 HydrophobicContact CE2-CG 4.25Å; F125-F128 HydrophobicContact CZ-CB 3.95Å; F125-F128 HydrophobicContact CZ-CD2 4.17Å; F125-F128 HydrophobicContact CZ-CG 4.23Å; F128-L130 HydrophobicContact CD1-CD1 4.46Å; F128-L130 HydrophobicContact CD1-CG 4.14Å; F128-L130 HydrophobicContact CE1-CD1 3.61Å; F128-L130 HydrophobicContact CE1-CD2 3.66Å; F128-L130 HydrophobicContact CE1-CG 3.38Å; F128-L130 HydrophobicContact CE2-CD2 4.36Å; F128-L130 HydrophobicContact CZ-CD1 4.24Å; F128-L130 HydrophobicContact CZ-CD2 3.43Å; F128-L130 VanDerWaalsContact CZ-CD2 3.43Å; F128-L130 HydrophobicContact CZ-CG 3.74Å; F128-S144 WeakPolarHBondContact CA-O 3.47Å; F128-F145 AromaticContact CD2-CD1 3.66Å; F128-F145 HydrophobicContact CD2-CD1 3.66Å; F128-F145 AromaticContact CD2-CE1 3.68Å; F128-F145 HydrophobicContact CD2-CE1 3.68Å; F128-F145 HydrophobicContact CD2-CG 4.23Å; F128-F145 HydrophobicContact CD2-CZ 4.23Å; F128-F145 AromaticContact CE2-CD1 3.87Å; F128-F145 HydrophobicContact CE2-CD1 3.87Å; F128-F145 AromaticContact CE2-CE1 3.43Å; F128-F145 HydrophobicContact CE2-CE1 3.43Å; F128-F145 VanDerWaalsContact CE2-CE1 3.43Å; F128-F145 HydrophobicContact CE2-CE2 4.12Å; F128-F145 HydrophobicContact CE2-CG 4.42Å; F128-F145 AromaticContact CE2-CZ 3.58Å; F128-F145 HydrophobicContact CE2-CZ 3.58Å; F128-F145 HydrophobicContact CZ-CE1 4.5Å
129	K	93.5	Very high	94.1	Very high	131 Å²	131	53.9 Å²	53.9	57%	0.57	25%	0.252	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-123.7	135.3	176.5	-59.4	-178.2	178.4	-177.7	0	109.1	S144 I146	K129-S144 PolarHBondContact N-O 3.29Å; K129-S144 PolarHBondContact O-N 3.44Å; K129-I146 HydrophobicContact CD-CD1 4.07Å; K129-I146 HydrophobicContact CG-CD1 4.24Å
130	L	94.2	Very high	94	Very high	7 Å²	7	53.5 Å²	53.5	4%	0.037	25%	0.25	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-112	140.2	174.2	-73.1	170.8	0	0	0	109.6	F74 P76 I98 F128 V141 K142 S143	F74-L130 PolarHBondContact N-O 2.83Å; P76-L130 HydrophobicContact CB-CD1 3.9Å; P76-L130 HydrophobicContact CG-CD1 4.12Å; I98-L130 HydrophobicContact CG2-CD1 3.68Å; I98-L130 HydrophobicContact CG2-CD2 4.17Å; F128-L130 HydrophobicContact CD1-CD1 4.46Å; F128-L130 HydrophobicContact CD1-CG 4.14Å; F128-L130 HydrophobicContact CE1-CD1 3.61Å; F128-L130 HydrophobicContact CE1-CD2 3.66Å; F128-L130 HydrophobicContact CE1-CG 3.38Å; F128-L130 HydrophobicContact CE2-CD2 4.36Å; F128-L130 HydrophobicContact CZ-CD1 4.24Å; F128-L130 HydrophobicContact CZ-CD2 3.43Å; F128-L130 VanDerWaalsContact CZ-CD2 3.43Å; F128-L130 HydrophobicContact CZ-CG 3.74Å; L130-V141 HydrophobicContact CD2-CG1 3.75Å; L130-K142 WeakPolarHBondContact CA-O 3.45Å; L130-S143 WeakPolarHBondContact CD2-OG 3.48Å
131	K	94.6	Very high	93.9	Very high	104 Å²	104	53.5 Å²	53.5	45%	0.452	25%	0.25	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-129.3	138.9	159.4	-52.5	-175.1	174.3	-172.2	0	109.5	F71 H72 K142	F71-K131 HydrophobicContact CB-CB 3.86Å; F71-K131 HydrophobicContact CB-CD 4.1Å; F71-K131 HydrophobicContact CD1-CB 4.27Å; H72-K131 CarbonylContact O-C 3.46Å; H72-K131 WeakPolarHBondContact O-CA 3.26Å; H72-K131 WeakPolarHBondContact O-CB 3.31Å; K131-K142 HydrophobicContact CB-CB 4.34Å; K131-K142 PolarHBondContact N-O 3.45Å; K131-K142 PolarHBondContact O-N 3.3Å
132	V	94.4	Very high	93.9	Very high	4 Å²	4	53.8 Å²	53.8	2%	0.024	25%	0.252	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-120.3	145.7	-178.2	-171.9	0	0	0	0	109.3	H72 F74 I80 I98 F139 A140	H72-V132 PolarHBondContact N-O 3.34Å; H72-V132 PolarHBondContact O-N 2.92Å; F74-V132 HydrophobicContact CB-CG2 4.4Å; F74-V132 HydrophobicContact CD2-CB 3.63Å; F74-V132 HydrophobicContact CD2-CG2 3.83Å; F74-V132 HydrophobicContact CE2-CB 3.93Å; F74-V132 HydrophobicContact CG-CG2 4.47Å; I80-V132 HydrophobicContact CD1-CG1 3.82Å; I80-V132 HydrophobicContact CD1-CG2 4.41Å; I98-V132 HydrophobicContact CD1-CG1 4.33Å; I98-V132 HydrophobicContact CD1-CG2 3.57Å; V132-F139 HydrophobicContact CG1-CD2 4.29Å; V132-F139 HydrophobicContact CG1-CE2 3.6Å; V132-F139 HydrophobicContact CG1-CZ 4.19Å; V132-A140 WeakPolarHBondContact CA-O 3.44Å
133	F	94	Very high	93.9	Very high	32 Å²	32	54 Å²	54	14%	0.14	25%	0.253	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-134.6	134.4	169	169.6	-104.5	0	0	0	107.5	N70 F71 D135 L138 A140	N70-F133 WeakPolarHBondContact O-CD2 3.38Å; F71-F133 HydrophobicContact CD1-CB 3.7Å; F71-F133 HydrophobicContact CD2-CB 4.32Å; F71-F133 HydrophobicContact CE1-CB 3.62Å; F71-F133 HydrophobicContact CE2-CB 4.24Å; F71-F133 HydrophobicContact CG-CB 4.05Å; F71-F133 HydrophobicContact CZ-CB 3.9Å; F133-D135 HydrophobicContact CZ-CB 4.1Å; F133-D135 VanDerWaalsContact CZ-OD2 3.23Å; F133-D135 WeakPolarHBondContact CZ-OD2 3.22Å; F133-L138 HydrophobicContact CD1-CD1 3.46Å; F133-L138 VanDerWaalsContact CD1-CD1 3.46Å; F133-L138 HydrophobicContact CE1-CD1 3.5Å; F133-L138 HydrophobicContact CE1-CG 4.1Å; F133-A140 PolarHBondContact N-O 2.98Å; F133-A140 PolarHBondContact O-N 3.42Å
134	S	93.8	Very high	94	Very high	34 Å²	34	50.4 Å²	50.4	24%	0.238	24%	0.244	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-146.9	124.4	177.6	-166.4	0	0	0	0	109.8
135	D	94	Very high	94.3	Very high	34 Å²	34	43.9 Å²	43.9	18%	0.182	22%	0.216	C	C	.	.			trans	-131.9	-165.9	168.6	67	8.7	0	0	0	110.1	F84 F133 K137 L138	F84-D135 WeakPolarHBondContact CD1-O 2.93Å; F84-D135 WeakPolarHBondContact CE1-O 3.21Å; F133-D135 HydrophobicContact CZ-CB 4.1Å; F133-D135 VanDerWaalsContact CZ-OD2 3.23Å; F133-D135 WeakPolarHBondContact CZ-OD2 3.22Å; D135-K137 VanDerWaalsContact C-N 3.26Å; D135-K137 WeakPolarHBondContact OD1-CA 3.35Å; D135-K137 WeakPolarHBondContact OD1-CB 3.43Å; D135-K137 PolarHBondContact OD1-N 3.14Å; D135-L138 PolarHBondContact N-O 3.23Å; D135-L138 PolarHBondContact OD1-N 3.16Å
136	D	94.9	Very high	94.6	Very high	108 Å²	108	43.7 Å²	43.7	58%	0.578	22%	0.215	S	C	*	.	S	Bend	trans	-73.1	-15	175.5	53.8	-28.7	0	0	0	113.3
137	K	95.3	Very high	94.7	Very high	144 Å²	144	41.3 Å²	41.3	63%	0.626	20%	0.196	S	C	*	.	S	Bend	trans	-100.4	-34	-175.9	-61.3	179.6	-177.6	178.9	0	113	D135 Y163 P164	D135-K137 VanDerWaalsContact C-N 3.26Å; D135-K137 WeakPolarHBondContact OD1-CA 3.35Å; D135-K137 WeakPolarHBondContact OD1-CB 3.43Å; D135-K137 PolarHBondContact OD1-N 3.14Å; K137-Y163 WeakPolarHBondContact O-CD1 3.46Å; K137-P164 WeakPolarHBondContact O-CD 3.5Å
138	L	96.1	Very high	94.7	Very high	18 Å²	18	42.7 Å²	42.7	9%	0.094	20%	0.202	C	C	.	.			trans	-161.4	162	178.7	63.8	86.9	0	0	0	113	L67 F133 D135 A140 V161 I162 Y163	L67-L138 HydrophobicContact CD2-CD2 3.89Å; F133-L138 HydrophobicContact CD1-CD1 3.46Å; F133-L138 VanDerWaalsContact CD1-CD1 3.46Å; F133-L138 HydrophobicContact CE1-CD1 3.5Å; F133-L138 HydrophobicContact CE1-CG 4.1Å; D135-L138 PolarHBondContact N-O 3.23Å; D135-L138 PolarHBondContact OD1-N 3.16Å; L138-A140 HydrophobicContact CD1-CB 3.83Å; L138-V161 HydrophobicContact CB-CG1 4.08Å; L138-V161 HydrophobicContact CD1-CG1 4.22Å; L138-V161 HydrophobicContact CD2-CG1 4.36Å; L138-V161 HydrophobicContact CG-CG1 4.47Å; L138-I162 WeakPolarHBondContact CA-O 3.45Å; L138-Y163 HydrophobicContact CB-CD1 3.89Å; L138-Y163 HydrophobicContact CB-CE1 3.86Å; L138-Y163 HydrophobicContact CD2-CE1 3.84Å
139	F	96.1	Very high	94.6	Very high	0 Å²	0	43 Å²	43	0%	0	21%	0.207	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-118.8	130.9	168	169.6	-97.5	0	0	0	108.9	I80 T82 F84 I96 I98 V132 V141 V161 I162	I80-F139 HydrophobicContact CD1-CE2 3.95Å; I80-F139 HydrophobicContact CD1-CZ 4.41Å; I80-F139 HydrophobicContact CG2-CE2 4.05Å; T82-F139 HydrophobicContact CG2-CB 4.01Å; T82-F139 HydrophobicContact CG2-CD2 4.07Å; T82-F139 HydrophobicContact CG2-CG 4.01Å; F84-F139 HydrophobicContact CE1-CB 4.45Å; F84-F139 HydrophobicContact CZ-CB 3.9Å; I96-F139 HydrophobicContact CD1-CD1 3.79Å; I96-F139 HydrophobicContact CD1-CE1 3.56Å; I96-F139 HydrophobicContact CD1-CG 4.33Å; I96-F139 HydrophobicContact CD1-CZ 3.94Å; I96-F139 HydrophobicContact CG2-CE1 4.23Å; I96-F139 HydrophobicContact CG2-CZ 3.97Å; I98-F139 HydrophobicContact CD1-CZ 3.83Å; I98-F139 HydrophobicContact CG1-CZ 4.37Å; V132-F139 HydrophobicContact CG1-CD2 4.29Å; V132-F139 HydrophobicContact CG1-CE2 3.6Å; V132-F139 HydrophobicContact CG1-CZ 4.19Å; F139-V141 HydrophobicContact CD1-CG2 4.38Å; F139-V141 HydrophobicContact CE1-CG2 3.46Å; F139-V141 VanDerWaalsContact CE1-CG2 3.46Å; F139-V141 HydrophobicContact CE2-CG2 4.42Å; F139-V141 HydrophobicContact CZ-CG2 3.51Å; F139-V161 CarbonylContact O-C 3.53Å; F139-V161 VanDerWaalsContact O-CA 3.29Å; F139-V161 WeakPolarHBondContact O-CA 3.33Å; F139-I162 HydrophobicContact CB-CB 4.42Å; F139-I162 HydrophobicContact CD1-CB 4.31Å; F139-I162 HydrophobicContact CD1-CD1 3.89Å; F139-I162 HydrophobicContact CD1-CG1 4.15Å; F139-I162 HydrophobicContact CE1-CD1 4.26Å; F139-I162 PolarHBondContact N-O 2.95Å; F139-I162 PolarHBondContact O-N 3.1Å
140	A	96.3	Very high	94.4	Very high	0 Å²	0	46.6 Å²	46.6	0%	0	22%	0.222	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-137.1	136.8	-176.6	0	0	0	0	0	113.3	F71 V132 F133 L138 N160 V161	F71-A140 HydrophobicContact CE1-CB 3.77Å; F71-A140 HydrophobicContact CZ-CB 3.87Å; V132-A140 WeakPolarHBondContact CA-O 3.44Å; F133-A140 PolarHBondContact N-O 2.98Å; F133-A140 PolarHBondContact O-N 3.42Å; L138-A140 HydrophobicContact CD1-CB 3.83Å; A140-N160 CarbonylContact C-O 3.43Å; A140-N160 VanDerWaalsContact CA-O 3.23Å; A140-N160 WeakPolarHBondContact CA-O 3.45Å; A140-V161 HydrophobicContact CB-CG2 4.21Å
141	V	95.9	Very high	94	Very high	1 Å²	1	54.3 Å²	54.3	1%	0.006	26%	0.264	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-123	112.9	178.1	-175.5	0	0	0	0	109.9	I98 I107 L130 F139 T159 N160	I98-V141 HydrophobicContact CD1-CG1 4.39Å; I98-V141 HydrophobicContact CD1-CG2 3.67Å; I98-V141 HydrophobicContact CG1-CG2 4.43Å; I98-V141 HydrophobicContact CG2-CG1 4.21Å; I107-V141 HydrophobicContact CD1-CB 3.91Å; I107-V141 HydrophobicContact CD1-CG1 4.32Å; I107-V141 HydrophobicContact CD1-CG2 3.78Å; I107-V141 HydrophobicContact CG1-CG2 4.4Å; L130-V141 HydrophobicContact CD2-CG1 3.75Å; F139-V141 HydrophobicContact CD1-CG2 4.38Å; F139-V141 HydrophobicContact CE1-CG2 3.46Å; F139-V141 VanDerWaalsContact CE1-CG2 3.46Å; F139-V141 HydrophobicContact CE2-CG2 4.42Å; F139-V141 HydrophobicContact CZ-CG2 3.51Å; V141-T159 WeakPolarHBondContact O-CA 3.44Å; V141-N160 PolarHBondContact N-O 3.22Å; V141-N160 PolarHBondContact O-N 3.05Å
142	K	95.5	Very high	93.9	Very high	55 Å²	55	57 Å²	57	24%	0.239	28%	0.275	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-91.4	112.4	171	-75.3	-177.9	176.2	170.4	0	109.9	F71 L130 K131 T159	F71-K142 HydrophobicContact CD1-CB 4.3Å; F71-K142 HydrophobicContact CD1-CD 3.7Å; F71-K142 HydrophobicContact CD1-CG 3.88Å; F71-K142 HydrophobicContact CD2-CD 4.09Å; F71-K142 HydrophobicContact CE1-CB 4.41Å; F71-K142 HydrophobicContact CE1-CD 3.68Å; F71-K142 HydrophobicContact CE1-CG 3.63Å; F71-K142 HydrophobicContact CE2-CD 4.09Å; F71-K142 HydrophobicContact CG-CD 3.92Å; F71-K142 HydrophobicContact CZ-CD 3.88Å; F71-K142 VanDerWaalsContact CZ-CE 3.41Å; F71-K142 HydrophobicContact CZ-CG 4.15Å; L130-K142 WeakPolarHBondContact CA-O 3.45Å; K131-K142 HydrophobicContact CB-CB 4.34Å; K131-K142 PolarHBondContact N-O 3.45Å; K131-K142 PolarHBondContact O-N 3.3Å; K142-T159 HydrophobicContact CG-CG2 3.81Å; K142-T159 WeakPolarHBondContact CG-OG1 2.89Å
143	S	95.5	Very high	93.9	Very high	3 Å²	3	61.2 Å²	61.2	2%	0.021	30%	0.295	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-102.6	123.9	176.7	-67.5	0	0	0	0	110.8	L130 K157 I158	L130-S143 WeakPolarHBondContact CD2-OG 3.48Å; S143-K157 WeakPolarHBondContact O-CA 3.34Å; S143-I158 PolarHBondContact N-O 3.44Å; S143-I158 PolarHBondContact O-N 2.94Å
144	S	96	Very high	94	Very high	28 Å²	28	60.5 Å²	60.5	20%	0.196	29%	0.293	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-112.5	112.8	173.2	-61.5	0	0	0	0	110.6	F128 K129 A156	F128-S144 WeakPolarHBondContact CA-O 3.47Å; K129-S144 PolarHBondContact N-O 3.29Å; K129-S144 PolarHBondContact O-N 3.44Å; S144-A156 CarbonylContact C-O 3.56Å; S144-A156 WeakPolarHBondContact CA-O 3.48Å
145	F	95.8	Very high	94.1	Very high	0 Å²	0	60.8 Å²	60.8	0%	0	29%	0.293	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-98.5	108.2	176.6	-58.5	-92	0	0	0	109.3	N120 I122 F125 F128 T155 A156 I158	N120-F145 HydrophobicContact CB-CE2 4.2Å; N120-F145 HydrophobicContact CB-CZ 3.93Å; N120-F145 WeakPolarHBondContact O-CZ 3.32Å; I122-F145 HydrophobicContact CB-CB 3.85Å; I122-F145 HydrophobicContact CB-CD1 3.87Å; I122-F145 HydrophobicContact CB-CD2 4.39Å; I122-F145 HydrophobicContact CB-CE1 4.48Å; I122-F145 HydrophobicContact CB-CG 3.79Å; I122-F145 HydrophobicContact CG1-CB 3.87Å; I122-F145 HydrophobicContact CG1-CD1 4.03Å; I122-F145 HydrophobicContact CG1-CD2 3.67Å; I122-F145 HydrophobicContact CG1-CE1 4.46Å; I122-F145 HydrophobicContact CG1-CE2 4.17Å; I122-F145 HydrophobicContact CG1-CG 3.59Å; I122-F145 HydrophobicContact CG2-CB 4.07Å; F125-F145 HydrophobicContact CB-CB 4.25Å; F125-F145 HydrophobicContact CD1-CB 4.43Å; F125-F145 AromaticContact CD1-CD1 3.52Å; F125-F145 HydrophobicContact CD1-CD1 3.52Å; F125-F145 HydrophobicContact CD1-CE1 4.28Å; F125-F145 HydrophobicContact CD1-CG 4.45Å; F125-F145 AromaticContact CE1-CD1 3.4Å; F125-F145 HydrophobicContact CE1-CD1 3.4Å; F125-F145 AromaticContact CE1-CE1 3.73Å; F125-F145 HydrophobicContact CE1-CE1 3.73Å; F125-F145 HydrophobicContact CG-CB 4.47Å; F125-F145 HydrophobicContact CG-CD1 4.16Å; F125-F145 AromaticContact CZ-CD1 3.97Å; F125-F145 HydrophobicContact CZ-CD1 3.97Å; F125-F145 HydrophobicContact CZ-CE1 4.23Å; F128-F145 AromaticContact CD2-CD1 3.66Å; F128-F145 HydrophobicContact CD2-CD1 3.66Å; F128-F145 AromaticContact CD2-CE1 3.68Å; F128-F145 HydrophobicContact CD2-CE1 3.68Å; F128-F145 HydrophobicContact CD2-CG 4.23Å; F128-F145 HydrophobicContact CD2-CZ 4.23Å; F128-F145 AromaticContact CE2-CD1 3.87Å; F128-F145 HydrophobicContact CE2-CD1 3.87Å; F128-F145 AromaticContact CE2-CE1 3.43Å; F128-F145 HydrophobicContact CE2-CE1 3.43Å; F128-F145 VanDerWaalsContact CE2-CE1 3.43Å; F128-F145 HydrophobicContact CE2-CE2 4.12Å; F128-F145 HydrophobicContact CE2-CG 4.42Å; F128-F145 AromaticContact CE2-CZ 3.58Å; F128-F145 HydrophobicContact CE2-CZ 3.58Å; F128-F145 HydrophobicContact CZ-CE1 4.5Å; F145-T155 CarbonylContact O-C 3.55Å; F145-T155 WeakPolarHBondContact O-CA 3.23Å; F145-A156 HydrophobicContact CB-CB 4.26Å; F145-A156 PolarHBondContact N-O 3.07Å; F145-A156 PolarHBondContact O-N 2.88Å; F145-I158 HydrophobicContact CD2-CD1 4.39Å; F145-I158 HydrophobicContact CE2-CD1 3.95Å; F145-I158 HydrophobicContact CE2-CG1 4.33Å
146	I	95.5	Very high	94.3	Very high	11 Å²	11	59.2 Å²	59.2	6%	0.056	28%	0.284	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-100.7	121.1	-175.5	-56.7	161.6	0	0	0	108.2	F125 S126 K127 K129 E153 I154 T155	F125-I146 CarbonylContact C-O 3.5Å; F125-I146 WeakPolarHBondContact CA-O 3.27Å; F125-I146 WeakPolarHBondContact CB-O 3.49Å; S126-I146 PolarHBondContact N-O 3.12Å; S126-I146 PolarHBondContact OG-O 3.12Å; S126-I146 VanDerWaalsContact OG-O 3.1Å; K127-I146 HydrophobicContact CB-CB 4.06Å; K127-I146 HydrophobicContact CB-CD1 3.98Å; K127-I146 PolarHBondContact N-O 3.31Å; K127-I146 VanDerWaalsContact N-O 3.15Å; K127-I146 PolarHBondContact O-N 2.88Å; K129-I146 HydrophobicContact CD-CD1 4.07Å; K129-I146 HydrophobicContact CG-CD1 4.24Å; I146-E153 HydrophobicContact CG2-CB 4.4Å; I146-E153 HydrophobicContact CG2-CG 4.39Å; I146-I154 CarbonylContact C-O 3.54Å; I146-I154 WeakPolarHBondContact CA-O 3.43Å; I146-T155 HydrophobicContact CG1-CG2 3.99Å
147	K	92.9	Very high	94.3	Very high	16 Å²	16	57.6 Å²	57.6	7%	0.07	27%	0.272	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-122.7	144.1	-178.3	175.5	174.2	-179.8	170	0	109.4	R123 F124 V149 E153 I154 E183	R123-K147 PolarHBondContact O-NZ 3.47Å; F124-K147 WeakPolarHBondContact O-CG 3.33Å; K147-V149 HydrophobicContact CD-CG2 4.13Å; K147-V149 HydrophobicContact CG-CG2 4Å; K147-E153 WeakPolarHBondContact O-CA 3.46Å; K147-I154 HydrophobicContact CB-CD1 4.47Å; K147-I154 HydrophobicContact CB-CG1 3.99Å; K147-I154 HydrophobicContact CD-CD1 4.45Å; K147-I154 HydrophobicContact CG-CG1 4.45Å; K147-I154 PolarHBondContact N-O 3.24Å; K147-I154 WeakPolarHBondContact O-CG1 3.36Å; K147-I154 PolarHBondContact O-N 3.31Å; K147-E183 IonicContact NZ-OE1 2.7Å; K147-E183 PolarHBondContact NZ-OE1 3Å; K147-E183 IonicContact NZ-OE2 2.78Å; K147-E183 PolarHBondContact NZ-OE2 3.24Å
148	K	92.2	Very high	94.4	Very high	136 Å²	136	50.8 Å²	50.8	59%	0.591	24%	0.243	S	C	*	.	E	Extended strand (participates in β ladder)	trans	-94.8	126.5	169.9	-74.3	-176.3	175.9	-173.5	0	109.6	K152 E153	K148-K152 WeakPolarHBondContact CA-O 3.39Å; K148-E153 HydrophobicContact CD-CG 4.46Å; K148-E153 WeakPolarHBondContact CE-OE1 3.4Å; K148-E153 HydrophobicContact CG-CG 3.72Å
149	V	89.1	Confident	94.5	Very high	38 Å²	38	50 Å²	50	23%	0.23	24%	0.239	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-130.8	122.2	174.2	179.8	0	0	0	0	108	K147 N151 K152 I154	K147-V149 HydrophobicContact CD-CG2 4.13Å; K147-V149 HydrophobicContact CG-CG2 4Å; V149-N151 VanDerWaalsContact C-N 3.29Å; V149-N151 PolarHBondContact O-N 3.39Å; V149-K152 PolarHBondContact N-O 3.46Å; V149-K152 PolarHBondContact O-N 3.18Å; V149-I154 HydrophobicContact CB-CD1 4.41Å; V149-I154 HydrophobicContact CG2-CD1 3.56Å; V149-I154 HydrophobicContact CG2-CG1 4.09Å
150	K	89.4	Confident	94.6	Very high	205 Å²	205	50.1 Å²	50.1	89%	0.891	24%	0.239	S	C	*	.	T	Hydrogen-bonded Turn	trans	47.2	49.8	-179.8	-59.3	-178.7	179.1	-175.3	0	112.6	K152	K150-K152 PolarHBondContact O-N 3.21Å; K150-K152 VanDerWaalsContact O-N 3.09Å
151	N	86.5	Confident	94.6	Very high	169 Å²	169	50.1 Å²	50.1	90%	0.904	24%	0.239	S	C	*	.	T	Hydrogen-bonded Turn	trans	63	4.4	-176.3	-60.7	-18.7	0	0	0	116.9	V149	V149-N151 VanDerWaalsContact C-N 3.29Å; V149-N151 PolarHBondContact O-N 3.39Å
152	K	92.9	Very high	94.7	Very high	160 Å²	160	50.1 Å²	50.1	70%	0.696	24%	0.239	S	C	*	.	E	Extended strand (participates in β ladder)	trans	-101.9	134.4	173.7	-147.1	174.2	-174.8	178.8	0	110.4	K148 V149 K150	K148-K152 WeakPolarHBondContact CA-O 3.39Å; V149-K152 PolarHBondContact N-O 3.46Å; V149-K152 PolarHBondContact O-N 3.18Å; K150-K152 PolarHBondContact O-N 3.21Å; K150-K152 VanDerWaalsContact O-N 3.09Å
153	E	94.2	Very high	94.8	Very high	93 Å²	93	50.6 Å²	50.6	44%	0.435	24%	0.24	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-80.2	124.6	170.6	-76.4	-169.3	168.7	0	0	109.5	K127 I146 K147 K148	K127-E153 IonicContact NZ-OE1 3.17Å; I146-E153 HydrophobicContact CG2-CB 4.4Å; I146-E153 HydrophobicContact CG2-CG 4.39Å; K147-E153 WeakPolarHBondContact O-CA 3.46Å; K148-E153 HydrophobicContact CD-CG 4.46Å; K148-E153 WeakPolarHBondContact CE-OE1 3.4Å; K148-E153 HydrophobicContact CG-CG 3.72Å
154	I	95.6	Very high	94.8	Very high	18 Å²	18	52.9 Å²	52.9	9%	0.092	26%	0.255	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-113.4	146.7	171.2	64.1	171.8	0	0	0	108.7	I146 K147 V149 P176 E178 I179	I146-I154 CarbonylContact C-O 3.54Å; I146-I154 WeakPolarHBondContact CA-O 3.43Å; K147-I154 HydrophobicContact CB-CD1 4.47Å; K147-I154 HydrophobicContact CB-CG1 3.99Å; K147-I154 HydrophobicContact CD-CD1 4.45Å; K147-I154 HydrophobicContact CG-CG1 4.45Å; K147-I154 PolarHBondContact N-O 3.24Å; K147-I154 WeakPolarHBondContact O-CG1 3.36Å; K147-I154 PolarHBondContact O-N 3.31Å; V149-I154 HydrophobicContact CB-CD1 4.41Å; V149-I154 HydrophobicContact CG2-CD1 3.56Å; V149-I154 HydrophobicContact CG2-CG1 4.09Å; I154-P176 HydrophobicContact CB-CB 4.27Å; I154-P176 HydrophobicContact CB-CG 4.03Å; I154-P176 HydrophobicContact CD1-CB 4.06Å; I154-P176 HydrophobicContact CD1-CG 4.38Å; I154-E178 HydrophobicContact CD1-CB 3.89Å; I154-I179 HydrophobicContact CD1-CD1 4.45Å; I154-I179 HydrophobicContact CD1-CG1 4Å
155	T	96.9	Very high	94.8	Very high	40 Å²	40	56.5 Å²	56.5	25%	0.245	27%	0.272	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-126.9	117.3	-178.2	-57.4	0	0	0	0	110.2	F145 I146 K157 N174	F145-T155 CarbonylContact O-C 3.55Å; F145-T155 WeakPolarHBondContact O-CA 3.23Å; I146-T155 HydrophobicContact CG1-CG2 3.99Å; T155-K157 HydrophobicContact CG2-CG 3.98Å; T155-N174 PolarHBondContact O-ND2 3.2Å
156	A	97	Very high	94.8	Very high	0 Å²	0	56.5 Å²	56.5	0%	0	27%	0.272	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-84.8	130.6	165	0	0	0	0	0	109.7	I122 S144 F145 N174 I175 I179	I122-A156 HydrophobicContact CD1-CB 4.05Å; I122-A156 HydrophobicContact CG1-CB 4.11Å; S144-A156 CarbonylContact C-O 3.56Å; S144-A156 WeakPolarHBondContact CA-O 3.48Å; F145-A156 HydrophobicContact CB-CB 4.26Å; F145-A156 PolarHBondContact N-O 3.07Å; F145-A156 PolarHBondContact O-N 2.88Å; A156-N174 CarbonylContact C-O 3.57Å; A156-N174 WeakPolarHBondContact CA-O 3.25Å; A156-I175 HydrophobicContact CB-CD1 4.08Å; A156-I179 HydrophobicContact CB-CD1 3.68Å
157	K	96.7	Very high	94.8	Very high	74 Å²	74	57.8 Å²	57.8	32%	0.322	28%	0.277	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-120	124.8	179.5	-65.5	-174.1	-169.9	176.2	0	109.9	S143 T155 E173 N174	S143-K157 WeakPolarHBondContact O-CA 3.34Å; T155-K157 HydrophobicContact CG2-CG 3.98Å; K157-E173 HydrophobicContact CB-CB 4.03Å; K157-E173 HydrophobicContact CD-CG 4.4Å; K157-E173 WeakPolarHBondContact CD-OE1 3.07Å; K157-E173 IonicContact NZ-OE1 3.51Å; K157-E173 PolarHBondContact NZ-OE1 3.33Å; K157-E173 PolarHBondContact O-N 3.48Å; K157-N174 HydrophobicContact CB-CB 4.32Å; K157-N174 PolarHBondContact N-O 3.28Å; K157-N174 PolarHBondContact O-N 3.4Å
158	I	97.1	Very high	95	Very high	1 Å²	1	57 Å²	57	1%	0.005	27%	0.274	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-130.3	128.3	-179.7	-48.7	179.4	0	0	0	107.7	N120 S143 F145 Y171 Y172 I175	N120-I158 HydrophobicContact CB-CD1 4.08Å; S143-I158 PolarHBondContact N-O 3.44Å; S143-I158 PolarHBondContact O-N 2.94Å; F145-I158 HydrophobicContact CD2-CD1 4.39Å; F145-I158 HydrophobicContact CE2-CD1 3.95Å; F145-I158 HydrophobicContact CE2-CG1 4.33Å; I158-Y171 WeakPolarHBondContact CA-O 3.09Å; I158-Y172 HydrophobicContact CD1-CD1 4.19Å; I158-Y172 HydrophobicContact CD1-CE1 4.09Å; I158-Y172 HydrophobicContact CG1-CD1 4Å; I158-Y172 HydrophobicContact CG1-CE1 4.33Å; I158-Y172 HydrophobicContact CG2-CD1 3.98Å; I158-Y172 HydrophobicContact CG2-CE1 3.92Å; I158-I175 HydrophobicContact CD1-CD1 4.31Å; I158-I175 HydrophobicContact CG1-CD1 4.08Å
159	T	96.9	Very high	95.3	Very high	2 Å²	2	50.9 Å²	50.9	1%	0.012	25%	0.247	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-108.3	125.3	174.3	-52	0	0	0	0	108.8	L67 V141 K142 V161 F170 Y171	L67-T159 HydrophobicContact CD1-CG2 3.64Å; V141-T159 WeakPolarHBondContact O-CA 3.44Å; K142-T159 HydrophobicContact CG-CG2 3.81Å; K142-T159 WeakPolarHBondContact CG-OG1 2.89Å; T159-V161 HydrophobicContact CG2-CG2 4.11Å; T159-F170 CarbonylContact O-C 3.51Å; T159-F170 WeakPolarHBondContact O-CA 3.33Å; T159-Y171 PolarHBondContact N-O 3.19Å; T159-Y171 PolarHBondContact O-N 3.39Å
160	N	97.9	Very high	95.7	Very high	2 Å²	2	49 Å²	49	1%	0.011	24%	0.236	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-103.4	135.9	169.5	-52.9	-89.6	0	0	0	107.7	I107 I118 N120 A140 V141 L169 F170	I107-N160 HydrophobicContact CD1-CB 3.94Å; I118-N160 WeakPolarHBondContact CG2-OD1 3.44Å; N120-N160 VanDerWaalsContact ND2-CG 3.34Å; N120-N160 PolarHBondContact ND2-ND2 3.11Å; N120-N160 PolarHBondContact ND2-OD1 2.89Å; A140-N160 CarbonylContact C-O 3.43Å; A140-N160 VanDerWaalsContact CA-O 3.23Å; A140-N160 WeakPolarHBondContact CA-O 3.45Å; V141-N160 PolarHBondContact N-O 3.22Å; V141-N160 PolarHBondContact O-N 3.05Å; N160-L169 CarbonylContact C-O 3.57Å; N160-L169 VanDerWaalsContact CA-O 3.24Å; N160-L169 WeakPolarHBondContact CA-O 3.35Å; N160-F170 HydrophobicContact CB-CD1 4.4Å; N160-F170 WeakPolarHBondContact OD1-CD1 3.23Å; N160-F170 WeakPolarHBondContact OD1-CE1 3.27Å
161	V	97.3	Very high	96.1	Very high	0 Å²	0	40.7 Å²	40.7	0%	0	20%	0.2	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-126.9	140.2	176.9	-172.2	0	0	0	0	108.5	L65 L67 L138 F139 A140 T159 Y163 I168 L169	L65-V161 HydrophobicContact CD2-CG2 4.22Å; L67-V161 HydrophobicContact CD1-CG2 3.68Å; L67-V161 HydrophobicContact CD2-CG2 4.25Å; L138-V161 HydrophobicContact CB-CG1 4.08Å; L138-V161 HydrophobicContact CD1-CG1 4.22Å; L138-V161 HydrophobicContact CD2-CG1 4.36Å; L138-V161 HydrophobicContact CG-CG1 4.47Å; F139-V161 CarbonylContact O-C 3.53Å; F139-V161 VanDerWaalsContact O-CA 3.29Å; F139-V161 WeakPolarHBondContact O-CA 3.33Å; A140-V161 HydrophobicContact CB-CG2 4.21Å; T159-V161 HydrophobicContact CG2-CG2 4.11Å; V161-Y163 HydrophobicContact CB-CE2 4.48Å; V161-Y163 HydrophobicContact CG1-CD2 4.16Å; V161-Y163 HydrophobicContact CG1-CE2 3.7Å; V161-I168 CarbonylContact O-C 3.5Å; V161-I168 VanDerWaalsContact O-CA 3.25Å; V161-I168 WeakPolarHBondContact O-CA 3.46Å; V161-L169 HydrophobicContact CB-CB 4.21Å; V161-L169 HydrophobicContact CB-CD1 4.48Å; V161-L169 PolarHBondContact N-O 3.24Å; V161-L169 PolarHBondContact O-N 2.82Å
162	I	98	Very high	96.7	Very high	1 Å²	1	32.7 Å²	32.7	1%	0.005	16%	0.156	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-125.1	129.4	173.6	-54.3	179.3	0	0	0	107	F86 I96 I118 L138 F139 I168	F86-I162 HydrophobicContact CB-CG2 4.43Å; F86-I162 HydrophobicContact CD1-CG2 4.11Å; F86-I162 HydrophobicContact CD2-CG2 3.55Å; F86-I162 HydrophobicContact CE1-CG2 4.25Å; F86-I162 HydrophobicContact CE2-CD1 4.27Å; F86-I162 HydrophobicContact CE2-CG2 3.7Å; F86-I162 HydrophobicContact CG-CG2 3.76Å; F86-I162 HydrophobicContact CZ-CD1 4.12Å; F86-I162 HydrophobicContact CZ-CG2 4.06Å; I96-I162 HydrophobicContact CD1-CD1 3.94Å; I118-I162 HydrophobicContact CD1-CD1 3.84Å; I118-I162 HydrophobicContact CD1-CG1 4.23Å; L138-I162 WeakPolarHBondContact CA-O 3.45Å; F139-I162 HydrophobicContact CB-CB 4.42Å; F139-I162 HydrophobicContact CD1-CB 4.31Å; F139-I162 HydrophobicContact CD1-CD1 3.89Å; F139-I162 HydrophobicContact CD1-CG1 4.15Å; F139-I162 HydrophobicContact CE1-CD1 4.26Å; F139-I162 PolarHBondContact N-O 2.95Å; F139-I162 PolarHBondContact O-N 3.1Å; I162-I168 HydrophobicContact CG1-CG1 4.4Å
163	Y	97.1	Very high	96.8	Very high	65 Å²	65	28.4 Å²	28.4	26%	0.255	14%	0.139	S	C	.	.			trans	-103	158.3	175.6	-72.5	-79.9	0	0	0	111.3	K137 L138 V161 N165 G166 K167 L169	K137-Y163 WeakPolarHBondContact O-CD1 3.46Å; L138-Y163 HydrophobicContact CB-CD1 3.89Å; L138-Y163 HydrophobicContact CB-CE1 3.86Å; L138-Y163 HydrophobicContact CD2-CE1 3.84Å; V161-Y163 HydrophobicContact CB-CE2 4.48Å; V161-Y163 HydrophobicContact CG1-CD2 4.16Å; V161-Y163 HydrophobicContact CG1-CE2 3.7Å; Y163-N165 VanDerWaalsContact CB-OD1 3.25Å; Y163-N165 WeakPolarHBondContact CB-OD1 2.94Å; Y163-N165 PolarHBondContact O-N 2.87Å; Y163-G166 WeakPolarHBondContact O-CA 3.44Å; Y163-G166 PolarHBondContact O-N 3.47Å; Y163-K167 HydrophobicContact CD2-CB 4.35Å; Y163-K167 PolarHBondContact N-O 3Å; Y163-L169 HydrophobicContact CD2-CD1 3.41Å; Y163-L169 VanDerWaalsContact CD2-CD1 3.41Å; Y163-L169 HydrophobicContact CE2-CD1 3.25Å; Y163-L169 HydrophobicContact CE2-CD2 4.11Å; Y163-L169 HydrophobicContact CE2-CG 4.32Å
164	P	96.9	Very high	96.8	Very high	52 Å²	52	26.8 Å²	26.8	34%	0.338	13%	0.134	S	C	.	.	T	Hydrogen-bonded Turn	trans	-54.3	-33	176.8	-27.6	32.5	0	0	0	114.4	F84 F86 K137 G166	F84-P164 HydrophobicContact CB-CB 4.21Å; F84-P164 HydrophobicContact CB-CG 4.17Å; F84-P164 HydrophobicContact CD1-CG 3.92Å; F84-P164 HydrophobicContact CD2-CB 3.98Å; F84-P164 HydrophobicContact CD2-CG 3.92Å; F84-P164 HydrophobicContact CE1-CG 4.27Å; F84-P164 HydrophobicContact CE2-CG 4.25Å; F84-P164 HydrophobicContact CG-CB 4.07Å; F84-P164 HydrophobicContact CG-CG 3.73Å; F84-P164 HydrophobicContact CZ-CG 4.42Å; F86-P164 WeakPolarHBondContact CA-O 3.5Å; K137-P164 WeakPolarHBondContact O-CD 3.5Å; P164-G166 PolarHBondContact O-N 2.02Å; P164-G166 VanDerWaalsContact O-N 3.13Å
165	N	93.9	Very high	96.8	Very high	103 Å²	103	26.3 Å²	26.3	55%	0.551	13%	0.131	S	C	*	.	T	Hydrogen-bonded Turn	trans	-74.3	6.1	175.7	69.5	-7	0	0	0	114.1	Y163 K167	Y163-N165 VanDerWaalsContact CB-OD1 3.25Å; Y163-N165 WeakPolarHBondContact CB-OD1 2.94Å; Y163-N165 PolarHBondContact O-N 2.87Å; N165-K167 VanDerWaalsContact C-N 3.28Å; N165-K167 PolarHBondContact O-N 2.03Å; N165-K167 WeakPolarHBondContact OD1-CB 2.94Å; N165-K167 PolarHBondContact OD1-N 2.88Å
166	G	95.8	Very high	96.8	Very high	0 Å²	0	25.1 Å²	25.1	0%	0	12%	0.124	C	C	.	.	S	Bend	trans	79.7	0.6	-178.6	0	0	0	0	0	114.8	Q87 Y163 P164 I168 P220	Q87-G166 WeakPolarHBondContact O-CA 3.42Å; Y163-G166 WeakPolarHBondContact O-CA 3.44Å; Y163-G166 PolarHBondContact O-N 3.47Å; P164-G166 PolarHBondContact O-N 2.02Å; P164-G166 VanDerWaalsContact O-N 3.13Å; G166-I168 PolarHBondContact O-N 3.41Å; G166-P220 WeakPolarHBondContact O-CD 3.39Å; G166-P220 WeakPolarHBondContact O-CG 3.11Å
167	K	96.4	Very high	96.7	Very high	38 Å²	38	34.9 Å²	34.9	17%	0.165	17%	0.166	C	C	.	.			trans	-65.5	130.9	174.8	-169.9	178	177.3	171.9	0	110.1	Y163 N165 L169 E217 Y218	Y163-K167 HydrophobicContact CD2-CB 4.35Å; Y163-K167 PolarHBondContact N-O 3Å; N165-K167 VanDerWaalsContact C-N 3.28Å; N165-K167 PolarHBondContact O-N 2.03Å; N165-K167 WeakPolarHBondContact OD1-CB 2.94Å; N165-K167 PolarHBondContact OD1-N 2.88Å; K167-L169 HydrophobicContact CD-CD1 4.23Å; K167-L169 HydrophobicContact CG-CD1 3.87Å; K167-E217 WeakPolarHBondContact CE-OE1 3.3Å; K167-E217 IonicContact NZ-OE1 3.26Å; K167-E217 PolarHBondContact NZ-OE1 3.25Å; K167-Y218 WeakPolarHBondContact CA-O 3.35Å
168	I	98.1	Very high	96.5	Very high	0 Å²	0	36.4 Å²	36.4	0%	0	17%	0.174	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-117.9	131.9	-179.2	-55.5	164.9	0	0	0	109.4	Y88 I118 V161 I162 G166 F170 Y218	Y88-I168 HydrophobicContact CD2-CD1 3.75Å; Y88-I168 HydrophobicContact CE2-CD1 3.6Å; I118-I168 HydrophobicContact CD1-CD1 4.36Å; I118-I168 HydrophobicContact CD1-CG2 3.9Å; V161-I168 CarbonylContact O-C 3.5Å; V161-I168 VanDerWaalsContact O-CA 3.25Å; V161-I168 WeakPolarHBondContact O-CA 3.46Å; I162-I168 HydrophobicContact CG1-CG1 4.4Å; G166-I168 PolarHBondContact O-N 3.41Å; I168-F170 HydrophobicContact CG2-CD1 4.14Å; I168-F170 HydrophobicContact CG2-CE1 3.68Å; I168-Y218 HydrophobicContact CB-CD2 4.37Å; I168-Y218 HydrophobicContact CG2-CD2 4.4Å; I168-Y218 PolarHBondContact N-O 2.62Å; I168-Y218 PolarHBondContact O-N 2.91Å
169	L	97.8	Very high	96.2	Very high	7 Å²	7	36.5 Å²	36.5	4%	0.037	18%	0.175	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-122.3	134	-179.1	-61.6	73.4	0	0	0	110.8	N160 V161 Y163 K167 L215 V216 E217	N160-L169 CarbonylContact C-O 3.57Å; N160-L169 VanDerWaalsContact CA-O 3.24Å; N160-L169 WeakPolarHBondContact CA-O 3.35Å; V161-L169 HydrophobicContact CB-CB 4.21Å; V161-L169 HydrophobicContact CB-CD1 4.48Å; V161-L169 PolarHBondContact N-O 3.24Å; V161-L169 PolarHBondContact O-N 2.82Å; Y163-L169 HydrophobicContact CD2-CD1 3.41Å; Y163-L169 VanDerWaalsContact CD2-CD1 3.41Å; Y163-L169 HydrophobicContact CE2-CD1 3.25Å; Y163-L169 HydrophobicContact CE2-CD2 4.11Å; Y163-L169 HydrophobicContact CE2-CG 4.32Å; K167-L169 HydrophobicContact CD-CD1 4.23Å; K167-L169 HydrophobicContact CG-CD1 3.87Å; L169-L215 HydrophobicContact CB-CD1 4.34Å; L169-L215 HydrophobicContact CD2-CD1 4.17Å; L169-V216 CarbonylContact C-O 3.54Å; L169-V216 WeakPolarHBondContact CA-O 3.49Å; L169-E217 HydrophobicContact CD2-CG 4.28Å; L169-E217 HydrophobicContact CG-CG 4.16Å
170	F	98.1	Very high	96.1	Very high	0 Å²	0	42.6 Å²	42.6	0%	0	20%	0.201	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-109.3	122.1	165.4	-56.1	-2.3	0	0	0	108.8	I118 T159 N160 I168 Y172 I188 V205 V216 Y218	I118-F170 HydrophobicContact CG2-CE1 3.53Å; I118-F170 HydrophobicContact CG2-CZ 3.5Å; I118-F170 VanDerWaalsContact CG2-CZ 3.5Å; T159-F170 CarbonylContact O-C 3.51Å; T159-F170 WeakPolarHBondContact O-CA 3.33Å; N160-F170 HydrophobicContact CB-CD1 4.4Å; N160-F170 WeakPolarHBondContact OD1-CD1 3.23Å; N160-F170 WeakPolarHBondContact OD1-CE1 3.27Å; I168-F170 HydrophobicContact CG2-CD1 4.14Å; I168-F170 HydrophobicContact CG2-CE1 3.68Å; F170-Y172 HydrophobicContact CB-CE2 4.46Å; F170-I188 HydrophobicContact CE1-CG2 4.04Å; F170-I188 HydrophobicContact CZ-CG2 3.54Å; F170-V205 HydrophobicContact CD2-CG2 3.92Å; F170-V205 HydrophobicContact CE2-CG2 4.16Å; F170-V216 HydrophobicContact CB-CB 4.13Å; F170-V216 PolarHBondContact N-O 3.33Å; F170-V216 PolarHBondContact O-N 3.49Å; F170-Y218 HydrophobicContact CD1-CE2 4.17Å; F170-Y218 HydrophobicContact CD2-CE2 4.08Å; F170-Y218 HydrophobicContact CE1-CD2 4.36Å; F170-Y218 AromaticContact CE1-CE2 3.91Å; F170-Y218 HydrophobicContact CE1-CE2 3.91Å; F170-Y218 AromaticContact CE2-CE2 3.84Å; F170-Y218 HydrophobicContact CE2-CE2 3.84Å; F170-Y218 HydrophobicContact CG-CE2 4.23Å; F170-Y218 AromaticContact CZ-CE2 3.73Å; F170-Y218 HydrophobicContact CZ-CE2 3.73Å
171	Y	97.8	Very high	95.8	Very high	30 Å²	30	44 Å²	44	12%	0.118	22%	0.216	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-114.7	123.3	173.5	179.1	-116.1	0	0	0	111.2	H63 L65 I158 T159 E173 T214 L215	H63-Y171 VanDerWaalsContact O-CE2 3.3Å; H63-Y171 WeakPolarHBondContact O-CE2 3.44Å; L65-Y171 HydrophobicContact CB-CD1 3.76Å; L65-Y171 HydrophobicContact CB-CD2 3.74Å; L65-Y171 HydrophobicContact CB-CE1 4.08Å; L65-Y171 HydrophobicContact CB-CE2 4.08Å; L65-Y171 HydrophobicContact CB-CG 3.57Å; L65-Y171 HydrophobicContact CD2-CD1 4.2Å; L65-Y171 HydrophobicContact CD2-CG 3.93Å; L65-Y171 HydrophobicContact CG-CG 4.4Å; I158-Y171 WeakPolarHBondContact CA-O 3.09Å; T159-Y171 PolarHBondContact N-O 3.19Å; T159-Y171 PolarHBondContact O-N 3.39Å; Y171-E173 HydrophobicContact CD1-CB 4.11Å; Y171-E173 HydrophobicContact CE1-CB 3.82Å; Y171-E173 HydrophobicContact CE1-CG 4.27Å; Y171-E173 PolarHBondContact O-N 3.22Å; Y171-T214 WeakPolarHBondContact CD2-O 3.45Å; Y171-L215 HydrophobicContact CD2-CD1 4.24Å
172	Y	97.2	Very high	95.6	Very high	0 Å²	0	53.4 Å²	53.4	0%	0	25%	0.252	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-93.1	81.4	180	-59.4	-71.1	0	0	0	110.1	I158 F170 N174 I175 S186 V205 I210 K211 T212 G213 T214 V216	I158-Y172 HydrophobicContact CD1-CD1 4.19Å; I158-Y172 HydrophobicContact CD1-CE1 4.09Å; I158-Y172 HydrophobicContact CG1-CD1 4Å; I158-Y172 HydrophobicContact CG1-CE1 4.33Å; I158-Y172 HydrophobicContact CG2-CD1 3.98Å; I158-Y172 HydrophobicContact CG2-CE1 3.92Å; F170-Y172 HydrophobicContact CB-CE2 4.46Å; Y172-N174 VanDerWaalsContact C-N 3.31Å; Y172-N174 PolarHBondContact O-N 2.79Å; Y172-I175 HydrophobicContact CD1-CD1 3.96Å; Y172-I175 HydrophobicContact CD1-CG1 4.12Å; Y172-I175 HydrophobicContact CG-CG1 4.3Å; Y172-S186 WeakPolarHBondContact OH-CB 3.02Å; Y172-S186 PolarHBondContact OH-OG 3.25Å; Y172-V205 HydrophobicContact CE2-CG1 4.38Å; Y172-V205 WeakPolarHBondContact OH-CG2 3.45Å; Y172-I210 HydrophobicContact CD1-CG2 3.87Å; Y172-I210 HydrophobicContact CE1-CB 4.41Å; Y172-I210 HydrophobicContact CE1-CG2 3.55Å; Y172-I210 HydrophobicContact CE2-CG1 4.49Å; Y172-K211 WeakPolarHBondContact CB-O 3.28Å; Y172-T212 CarbonylContact O-C 3.6Å; Y172-T212 WeakPolarHBondContact O-CA 3.22Å; Y172-G213 PolarHBondContact O-N 2.86Å; Y172-T214 HydrophobicContact CD2-CG2 4.33Å; Y172-T214 WeakPolarHBondContact CD2-O 3.23Å; Y172-T214 PolarHBondContact N-O 2.89Å; Y172-V216 HydrophobicContact CE2-CG2 3.71Å
173	E	94.9	Very high	95.4	Very high	70 Å²	70	54.4 Å²	54.4	33%	0.327	26%	0.257	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-60.8	-39.1	-178.8	-175.6	-168.2	138.4	0	0	112.1	K157 Y171 T212	K157-E173 HydrophobicContact CB-CB 4.03Å; K157-E173 HydrophobicContact CD-CG 4.4Å; K157-E173 WeakPolarHBondContact CD-OE1 3.07Å; K157-E173 IonicContact NZ-OE1 3.51Å; K157-E173 PolarHBondContact NZ-OE1 3.33Å; K157-E173 PolarHBondContact O-N 3.48Å; Y171-E173 HydrophobicContact CD1-CB 4.11Å; Y171-E173 HydrophobicContact CE1-CB 3.82Å; Y171-E173 HydrophobicContact CE1-CG 4.27Å; Y171-E173 PolarHBondContact O-N 3.22Å; E173-T212 WeakPolarHBondContact O-CG2 3.47Å
174	N	95.4	Very high	95.4	Very high	60 Å²	60	53 Å²	53	32%	0.321	25%	0.251	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-151.5	122.5	175.1	-173.4	37	0	0	0	111	T155 A156 K157 Y172	T155-N174 PolarHBondContact O-ND2 3.2Å; A156-N174 CarbonylContact C-O 3.57Å; A156-N174 WeakPolarHBondContact CA-O 3.25Å; K157-N174 HydrophobicContact CB-CB 4.32Å; K157-N174 PolarHBondContact N-O 3.28Å; K157-N174 PolarHBondContact O-N 3.4Å; Y172-N174 VanDerWaalsContact C-N 3.31Å; Y172-N174 PolarHBondContact O-N 2.79Å
175	I	96.3	Very high	95.4	Very high	7 Å²	7	54.2 Å²	54.2	4%	0.036	25%	0.251	C	S	.	.			trans	-129	95.6	171.7	-55.3	-66.2	0	0	0	107.7	A156 I158 Y172 T212	A156-I175 HydrophobicContact CB-CD1 4.08Å; I158-I175 HydrophobicContact CD1-CD1 4.31Å; I158-I175 HydrophobicContact CG1-CD1 4.08Å; Y172-I175 HydrophobicContact CD1-CD1 3.96Å; Y172-I175 HydrophobicContact CD1-CG1 4.12Å; Y172-I175 HydrophobicContact CG-CG1 4.3Å; I175-T212 PolarHBondContact N-OG1 3.49Å; I175-T212 PolarHBondContact O-OG1 3.39Å
176	P	96	Very high	95.6	Very high	15 Å²	15	49.3 Å²	49.3	10%	0.097	23%	0.225	C	C	.	.			trans	-54.1	140.5	178.8	-25.7	32.6	0	0	0	112.4	I154 E178 I179	I154-P176 HydrophobicContact CB-CB 4.27Å; I154-P176 HydrophobicContact CB-CG 4.03Å; I154-P176 HydrophobicContact CD1-CB 4.06Å; I154-P176 HydrophobicContact CD1-CG 4.38Å; P176-E178 WeakPolarHBondContact CB-OE2 3.41Å; P176-E178 PolarHBondContact O-N 3.42Å; P176-E178 VanDerWaalsContact O-N 3.17Å; P176-I179 HydrophobicContact CG-CD1 4.38Å; P176-I179 WeakPolarHBondContact O-CB 3.49Å; P176-I179 PolarHBondContact O-N 3.29Å
177	K	94.3	Very high	95.7	Very high	206 Å²	206	50.5 Å²	50.5	90%	0.896	23%	0.23	S	C	*	.	T	Hydrogen-bonded Turn	trans	-63.1	-22.3	-178	-69.4	-179.5	179.4	179.3	0	112.7	I179	K177-I179 PolarHBondContact O-N 3.09Å
178	E	92.6	Very high	95.7	Very high	105 Å²	105	48.7 Å²	48.7	49%	0.491	22%	0.222	S	C	.	.	T	Hydrogen-bonded Turn	trans	-65.4	-22.4	175.4	-61.4	85.5	167.1	0	0	112.7	I154 P176 K180	I154-E178 HydrophobicContact CD1-CB 3.89Å; P176-E178 WeakPolarHBondContact CB-OE2 3.41Å; P176-E178 PolarHBondContact O-N 3.42Å; P176-E178 VanDerWaalsContact O-N 3.17Å; E178-K180 PolarHBondContact O-N 3.35Å
179	I	92.3	Very high	95.6	Very high	3 Å²	3	49.3 Å²	49.3	2%	0.015	23%	0.226	C	C	.	.	S	Bend	trans	-83.6	100.3	174.7	-56.2	177.7	0	0	0	108.3	I122 I154 A156 P176 K177 E183 R184	I122-I179 HydrophobicContact CD1-CD1 4.43Å; I122-I179 HydrophobicContact CD1-CG2 4.32Å; I122-I179 HydrophobicContact CG2-CD1 3.97Å; I122-I179 HydrophobicContact CG2-CG2 4.5Å; I154-I179 HydrophobicContact CD1-CD1 4.45Å; I154-I179 HydrophobicContact CD1-CG1 4Å; A156-I179 HydrophobicContact CB-CD1 3.68Å; P176-I179 HydrophobicContact CG-CD1 4.38Å; P176-I179 WeakPolarHBondContact O-CB 3.49Å; P176-I179 PolarHBondContact O-N 3.29Å; K177-I179 PolarHBondContact O-N 3.09Å; I179-E183 HydrophobicContact CG2-CB 3.85Å; I179-R184 HydrophobicContact CG2-CB 4.11Å
180	K	93.4	Very high	95.4	Very high	130 Å²	130	49 Å²	49	57%	0.565	22%	0.224	S	C	*	.			trans	-67.5	161.1	-178.3	-61.8	-173.6	177.6	-173.3	0	111.5	E178 R182 E183	E178-K180 PolarHBondContact O-N 3.35Å; K180-R182 VanDerWaalsContact C-N 3.34Å; K180-R182 PolarHBondContact O-N 3.26Å; K180-E183 HydrophobicContact CB-CG 4.33Å; K180-E183 WeakPolarHBondContact O-CA 3.48Å; K180-E183 VanDerWaalsContact O-CB 3.31Å; K180-E183 WeakPolarHBondContact O-CB 3.41Å; K180-E183 PolarHBondContact O-N 2.8Å
181	G	92.3	Very high	95.1	Very high	32 Å²	32	50.5 Å²	50.5	33%	0.33	23%	0.232	S	C	.	.	G	3₁₀ helix	trans	-50.3	-47.5	-179.4	0	0	0	0	0	114.1	E183 R184 V207	G181-E183 PolarHBondContact O-N 2.86Å; G181-R184 WeakPolarHBondContact O-CG 3.22Å; G181-R184 PolarHBondContact O-N 2.78Å; G181-R184 VanDerWaalsContact O-O 3.05Å; G181-V207 VanDerWaalsContact C-CG1 3.49Å; G181-V207 WeakPolarHBondContact O-CG1 3.38Å
182	R	93.1	Very high	94.5	Very high	198 Å²	198	50 Å²	50	75%	0.747	23%	0.232	S	C	*	.	G	3₁₀ helix	trans	-64.9	-11	177.1	70.6	-178	-176.3	-176.2	1.7	115.4	K180	K180-R182 VanDerWaalsContact C-N 3.34Å; K180-R182 PolarHBondContact O-N 3.26Å
183	E	94.1	Very high	93.7	Very high	22 Å²	22	56.6 Å²	56.6	10%	0.103	26%	0.26	C	S	.	.	G	3₁₀ helix	trans	-98.8	2.5	-178.4	-59.9	-166.7	149.1	0	0	112.7	I122 R123 K147 I179 K180 G181	I122-E183 CarbonylContact C-O 3.59Å; I122-E183 WeakPolarHBondContact CA-O 3.38Å; R123-E183 HydrophobicContact CB-CB 3.73Å; R123-E183 HydrophobicContact CB-CG 4.06Å; R123-E183 PolarHBondContact N-O 2.93Å; K147-E183 IonicContact NZ-OE1 2.7Å; K147-E183 PolarHBondContact NZ-OE1 3Å; K147-E183 IonicContact NZ-OE2 2.78Å; K147-E183 PolarHBondContact NZ-OE2 3.24Å; I179-E183 HydrophobicContact CG2-CB 3.85Å; K180-E183 HydrophobicContact CB-CG 4.33Å; K180-E183 WeakPolarHBondContact O-CA 3.48Å; K180-E183 VanDerWaalsContact O-CB 3.31Å; K180-E183 WeakPolarHBondContact O-CB 3.41Å; K180-E183 PolarHBondContact O-N 2.8Å; G181-E183 PolarHBondContact O-N 2.86Å
184	R	95.7	Very high	93	Very high	35 Å²	35	53.9 Å²	53.9	13%	0.132	25%	0.249	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-138.7	136.5	-179.4	65.1	-170.2	-170.5	-173.9	9.9	110.6	Y121 I122 I179 G181 V207 I210	Y121-R184 VanDerWaalsContact O-CA 3.29Å; Y121-R184 WeakPolarHBondContact O-CA 3.34Å; I122-R184 HydrophobicContact CD1-CB 3.84Å; I179-R184 HydrophobicContact CG2-CB 4.11Å; G181-R184 WeakPolarHBondContact O-CG 3.22Å; G181-R184 PolarHBondContact O-N 2.78Å; G181-R184 VanDerWaalsContact O-O 3.05Å; R184-V207 HydrophobicContact CG-CG1 4.38Å; R184-V207 PolarHBondContact NE-O 3.38Å; R184-V207 PolarHBondContact NH2-O 2.82Å; R184-I210 HydrophobicContact CB-CG2 4.35Å; R184-I210 HydrophobicContact CG-CB 4.4Å; R184-I210 HydrophobicContact CG-CG2 4.14Å; R184-I210 PolarHBondContact NE-O 2.8Å; R184-I210 PolarHBondContact NH1-O 3.39Å; R184-I210 PolarHBondContact NH2-O 3.39Å; R184-I210 VanDerWaalsContact NH2-O 3.14Å
185	K	97.3	Very high	92.2	Very high	77 Å²	77	59.3 Å²	59.3	34%	0.335	27%	0.272	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-151.9	137.6	174.9	-173.5	169.1	-177.1	172.1	0	108.8	Y121 D204	Y121-K185 WeakPolarHBondContact CB-O 3.48Å; Y121-K185 HydrophobicContact CD1-CB 4.22Å; Y121-K185 PolarHBondContact N-O 3.4Å; Y121-K185 PolarHBondContact O-N 3.5Å; K185-D204 WeakPolarHBondContact CE-OD1 3.46Å; K185-D204 WeakPolarHBondContact CE-OD2 2.76Å; K185-D204 IonicContact NZ-OD1 3.38Å; K185-D204 PolarHBondContact NZ-OD1 3.18Å; K185-D204 IonicContact NZ-OD2 3.71Å; K185-D204 PolarHBondContact NZ-OD2 3.03Å
186	S	98.3	Very high	91.3	Very high	1 Å²	1	65.3 Å²	65.3	1%	0.007	31%	0.309	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-136.4	137.7	175.8	-69.1	0	0	0	0	108.6	S119 N120 Y172 V205	S119-S186 VanDerWaalsContact O-CA 3.29Å; S119-S186 WeakPolarHBondContact O-CA 3.08Å; N120-S186 WeakPolarHBondContact OD1-CB 3.44Å; N120-S186 PolarHBondContact OD1-OG 2.91Å; Y172-S186 WeakPolarHBondContact OH-CB 3.02Å; Y172-S186 PolarHBondContact OH-OG 3.25Å; S186-V205 PolarHBondContact O-N 3.35Å
187	K	97.7	Very high	90.6	Very high	25 Å²	25	66.2 Å²	66.2	11%	0.109	32%	0.322	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-159.4	161	-176.8	70.6	-178.5	-171	172.9	0	113.2	S119 T189 E202 I203 D204	S119-K187 PolarHBondContact N-O 3.27Å; S119-K187 PolarHBondContact O-N 3.22Å; K187-T189 HydrophobicContact CD-CG2 3.98Å; K187-T189 HydrophobicContact CG-CG2 4.19Å; K187-E202 IonicContact NZ-OE1 2.86Å; K187-E202 PolarHBondContact NZ-OE1 3.2Å; K187-E202 IonicContact NZ-OE2 2.66Å; K187-E202 PolarHBondContact NZ-OE2 3.04Å; K187-I203 VanDerWaalsContact CA-O 3.31Å; K187-I203 WeakPolarHBondContact CA-O 3.29Å; K187-I203 WeakPolarHBondContact CB-O 3.47Å; K187-D204 WeakPolarHBondContact CB-OD1 3.46Å; K187-D204 VanDerWaalsContact CD-OD1 3.24Å; K187-D204 WeakPolarHBondContact CD-OD1 3.44Å
188	I	97.7	Very high	90	Very high	0 Å²	0	62.2 Å²	62.2	0%	0	31%	0.31	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-109.3	148.4	160.3	65	171.6	0	0	0	109.7	Y56 Y89 T117 I118 F170 E202 I203 Y218	Y56-I188 HydrophobicContact CD1-CD1 4.35Å; Y56-I188 HydrophobicContact CD2-CD1 4.04Å; Y56-I188 HydrophobicContact CE1-CD1 4.33Å; Y56-I188 HydrophobicContact CE2-CD1 4.04Å; Y56-I188 HydrophobicContact CG-CD1 4.21Å; Y89-I188 HydrophobicContact CE2-CD1 4.14Å; Y89-I188 HydrophobicContact CE2-CG1 4.43Å; T117-I188 CarbonylContact O-C 3.47Å; T117-I188 WeakPolarHBondContact O-CA 3.44Å; I118-I188 HydrophobicContact CG1-CG2 3.88Å; F170-I188 HydrophobicContact CE1-CG2 4.04Å; F170-I188 HydrophobicContact CZ-CG2 3.54Å; I188-E202 WeakPolarHBondContact O-CA 3.41Å; I188-I203 HydrophobicContact CD1-CD1 4.1Å; I188-I203 HydrophobicContact CG1-CB 3.9Å; I188-I203 HydrophobicContact CG1-CD1 4.3Å; I188-I203 HydrophobicContact CG1-CG1 4.41Å; I188-I203 PolarHBondContact N-O 2.81Å; I188-I203 VanDerWaalsContact N-O 3.15Å; I188-I203 PolarHBondContact O-N 3.13Å; I188-Y218 HydrophobicContact CD1-CD1 3.39Å; I188-Y218 HydrophobicContact CD1-CE1 3.79Å; I188-Y218 HydrophobicContact CD1-CG 3.82Å; I188-Y218 HydrophobicContact CG1-CD1 3.89Å; I188-Y218 HydrophobicContact CG1-CE1 3.72Å; I188-Y218 HydrophobicContact CG2-CD2 4.33Å; I188-Y218 HydrophobicContact CG2-CE1 4.42Å; I188-Y218 HydrophobicContact CG2-CE2 4.12Å
189	T	95.7	Very high	89.6	Confident	12 Å²	12	58.5 Å²	58.5	7%	0.074	29%	0.293	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-133.8	133.1	176.4	64.2	0	0	0	0	111.5	Y88 G116 T117 K187 Y201 E202	Y88-T189 WeakPolarHBondContact CE1-O 3.41Å; Y88-T189 PolarHBondContact OH-N 2.89Å; Y88-T189 PolarHBondContact OH-O 2.88Å; G116-T189 CarbonylContact C-O 3.39Å; G116-T189 WeakPolarHBondContact CA-O 2.76Å; T117-T189 WeakPolarHBondContact CB-OG1 3.12Å; T117-T189 PolarHBondContact N-O 3.45Å; T117-T189 PolarHBondContact N-OG1 3.32Å; T117-T189 PolarHBondContact O-N 3.35Å; T117-T189 PolarHBondContact O-OG1 2.83Å; K187-T189 HydrophobicContact CD-CG2 3.98Å; K187-T189 HydrophobicContact CG-CG2 4.19Å; T189-Y201 CarbonylContact C-O 3.47Å; T189-Y201 WeakPolarHBondContact CA-O 3.44Å; T189-E202 HydrophobicContact CG2-CB 4.15Å; T189-E202 HydrophobicContact CG2-CG 3.77Å
190	G	93.8	Very high	89.4	Confident	0 Å²	0	61.6 Å²	61.6	0%	0	31%	0.312	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-110.3	131.8	173.8	0	0	0	0	0	111.5	V200 Y201	G190-V200 WeakPolarHBondContact O-CA 3.31Å; G190-Y201 PolarHBondContact N-O 3.41Å; G190-Y201 PolarHBondContact O-N 2.86Å
191	D	90.8	Very high	89.2	Confident	33 Å²	33	55.8 Å²	55.8	18%	0.176	29%	0.287	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-95.7	107	175	-64.3	-28.1	0	0	0	109	K114 V115	K114-D191 WeakPolarHBondContact CE-OD2 3.24Å; K114-D191 IonicContact NZ-OD2 3.31Å; K114-D191 PolarHBondContact NZ-OD2 3.43Å; V115-D191 PolarHBondContact O-N 2.96Å
192	I	84.6	Confident	89.2	Confident	20 Å²	20	58.5 Å²	58.5	10%	0.103	29%	0.29	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-101.5	129.6	-179.6	-53	-177.2	0	0	0	108.8	I29 Y54 N198 M199 Y201	I29-I192 HydrophobicContact CG2-CD1 4.5Å; Y54-I192 HydrophobicContact CD1-CD1 4.03Å; Y54-I192 HydrophobicContact CE1-CD1 3.26Å; I192-N198 CarbonylContact O-C 3.58Å; I192-N198 WeakPolarHBondContact O-CA 3.4Å; I192-M199 PolarHBondContact N-O 3.29Å; I192-M199 PolarHBondContact O-N 3.41Å; I192-Y201 HydrophobicContact CD1-CD2 3.33Å; I192-Y201 HydrophobicContact CD1-CE2 3.51Å; I192-Y201 HydrophobicContact CD1-CG 4.22Å; I192-Y201 HydrophobicContact CG1-CD2 3.98Å; I192-Y201 HydrophobicContact CG1-CE2 4.38Å
193	K	81.5	Confident	89.3	Confident	138 Å²	138	49.3 Å²	49.3	60%	0.6	26%	0.256	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-84.9	115.1	176.5	-172.6	-175	179.9	-171.7	0	109.3	C26	C26-K193 PolarHBondContact SG-O 2.83Å
194	C	80.7	Confident	89.4	Confident	13 Å²	13	51.1 Å²	51.1	9%	0.088	27%	0.266	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-104.2	165.6	169.2	-66.2	0	0	0	0	110.6	C30 T196 G197	C30-C194 HydrophobicContact CB-CB 3.7Å; C30-C194 WeakPolarHBondContact CB-SG 3.31Å; C30-C194 WeakPolarHBondContact SG-CA 3.33Å; C30-C194 WeakPolarHBondContact SG-CB 3.11Å; C30-C194 CovalentContact SG-SG 2.03Å; C30-C194 PolarHBondContact SG-SG 2.83Å; C194-T196 VanDerWaalsContact C-N 3.27Å; C194-T196 PolarHBondContact O-N 2.89Å; C194-G197 CarbonylContact C-O 3.54Å; C194-G197 VanDerWaalsContact CA-O 3.28Å; C194-G197 WeakPolarHBondContact CA-O 3.14Å; C194-G197 WeakPolarHBondContact CB-O 3.5Å; C194-G197 PolarHBondContact N-O 3.32Å; C194-G197 PolarHBondContact O-N 3.03Å
195	E	77.7	Confident	89.4	Confident	173 Å²	173	49.5 Å²	49.5	81%	0.808	26%	0.26	S	S	*	.	T	Hydrogen-bonded Turn	trans	-62.4	-37.3	174	-64.7	-177.1	170.9	0	0	111.8	G197	E195-G197 VanDerWaalsContact C-N 3.29Å; E195-G197 PolarHBondContact O-N 2.82Å
196	T	77.1	Confident	89.3	Confident	133 Å²	133	47.4 Å²	47.4	82%	0.816	26%	0.255	S	S	*	.	T	Hydrogen-bonded Turn	trans	-78.5	-8.5	179.2	54.5	0	0	0	0	113.9	C194	C194-T196 VanDerWaalsContact C-N 3.27Å; C194-T196 PolarHBondContact O-N 2.89Å
197	G	81.2	Confident	89.2	Confident	35 Å²	35	50.3 Å²	50.3	36%	0.361	27%	0.272	S	S	.	.	E	Extended strand (participates in β ladder)	trans	143.4	-171.4	-178.2	0	0	0	0	0	113.4	C194 E195	C194-G197 CarbonylContact C-O 3.54Å; C194-G197 VanDerWaalsContact CA-O 3.28Å; C194-G197 WeakPolarHBondContact CA-O 3.14Å; C194-G197 WeakPolarHBondContact CB-O 3.5Å; C194-G197 PolarHBondContact N-O 3.32Å; C194-G197 PolarHBondContact O-N 3.03Å; E195-G197 VanDerWaalsContact C-N 3.29Å; E195-G197 PolarHBondContact O-N 2.82Å
198	N	81.7	Confident	89	Confident	121 Å²	121	55.1 Å²	55.1	65%	0.647	29%	0.293	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-88.9	128.7	173.9	-62.2	-42	0	0	0	109.8	I192	I192-N198 CarbonylContact O-C 3.58Å; I192-N198 WeakPolarHBondContact O-CA 3.4Å
199	M	84.6	Confident	88.9	Confident	27 Å²	27	56 Å²	56	13%	0.133	30%	0.296	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-102.3	138.8	173.7	-168.6	168.5	178.2	0	0	109.9	L33 I192 Y201	L33-M199 VanDerWaalsContact O-CE 3.22Å; L33-M199 WeakPolarHBondContact O-CE 3.31Å; I192-M199 PolarHBondContact N-O 3.29Å; I192-M199 PolarHBondContact O-N 3.41Å; M199-Y201 HydrophobicContact CB-CE2 4.34Å; M199-Y201 HydrophobicContact CE-CE1 4.3Å; M199-Y201 HydrophobicContact CE-CE2 3.81Å; M199-Y201 WeakPolarHBondContact CE-OH 3.43Å; M199-Y201 HydrophobicContact CG-CD2 4.21Å; M199-Y201 HydrophobicContact CG-CE2 3.73Å; M199-Y201 HydrophobicContact SD-CE2 3.57Å; M199-Y201 VanDerWaalsContact SD-CE2 3.57Å; M199-Y201 PolarHBondContact SD-OH 3.35Å
200	V	88.2	Confident	88.9	Confident	69 Å²	69	55.4 Å²	55.4	42%	0.418	29%	0.293	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-109.1	116.2	179	-175.1	0	0	0	0	108.8	G190 E202	G190-V200 WeakPolarHBondContact O-CA 3.31Å; V200-E202 HydrophobicContact CG1-CG 4.14Å
201	Y	88.9	Confident	89	Confident	8 Å²	8	58.5 Å²	58.5	3%	0.031	31%	0.307	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-93.3	136.2	170.7	-79	-96.8	0	0	0	109.5	I29 P35 Y38 Y54 T189 G190 I192 M199	I29-Y201 HydrophobicContact CG2-CE2 4.15Å; I29-Y201 VanDerWaalsContact CG2-OH 3.26Å; I29-Y201 WeakPolarHBondContact CG2-OH 3.18Å; P35-Y201 HydrophobicContact CB-CD1 4.48Å; P35-Y201 HydrophobicContact CB-CE1 4.5Å; Y38-Y201 HydrophobicContact CD2-CE1 4.36Å; Y54-Y201 HydrophobicContact CD1-CD1 4.13Å; Y54-Y201 HydrophobicContact CD1-CE1 4.42Å; Y54-Y201 HydrophobicContact CD1-CG 4.19Å; Y54-Y201 HydrophobicContact CG-CD1 4.33Å; Y54-Y201 HydrophobicContact CG-CE1 4.35Å; T189-Y201 CarbonylContact C-O 3.47Å; T189-Y201 WeakPolarHBondContact CA-O 3.44Å; G190-Y201 PolarHBondContact N-O 3.41Å; G190-Y201 PolarHBondContact O-N 2.86Å; I192-Y201 HydrophobicContact CD1-CD2 3.33Å; I192-Y201 HydrophobicContact CD1-CE2 3.51Å; I192-Y201 HydrophobicContact CD1-CG 4.22Å; I192-Y201 HydrophobicContact CG1-CD2 3.98Å; I192-Y201 HydrophobicContact CG1-CE2 4.38Å; M199-Y201 HydrophobicContact CB-CE2 4.34Å; M199-Y201 HydrophobicContact CE-CE1 4.3Å; M199-Y201 HydrophobicContact CE-CE2 3.81Å; M199-Y201 WeakPolarHBondContact CE-OH 3.43Å; M199-Y201 HydrophobicContact CG-CD2 4.21Å; M199-Y201 HydrophobicContact CG-CE2 3.73Å; M199-Y201 HydrophobicContact SD-CE2 3.57Å; M199-Y201 VanDerWaalsContact SD-CE2 3.57Å; M199-Y201 PolarHBondContact SD-OH 3.35Å
202	E	92.8	Very high	89.2	Confident	88 Å²	88	60.6 Å²	60.6	41%	0.411	32%	0.321	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-126.8	131.6	-179.6	-48	-161.8	147.9	0	0	110.4	K187 I188 T189 V200	K187-E202 IonicContact NZ-OE1 2.86Å; K187-E202 PolarHBondContact NZ-OE1 3.2Å; K187-E202 IonicContact NZ-OE2 2.66Å; K187-E202 PolarHBondContact NZ-OE2 3.04Å; I188-E202 WeakPolarHBondContact O-CA 3.41Å; T189-E202 HydrophobicContact CG2-CB 4.15Å; T189-E202 HydrophobicContact CG2-CG 3.77Å; V200-E202 HydrophobicContact CG1-CG 4.14Å
203	I	94.8	Very high	89.7	Confident	5 Å²	5	60.7 Å²	60.7	3%	0.026	33%	0.327	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-117.8	100.3	172	-52.2	169	0	0	0	108.1	H53 Y56 L58 K187 I188 Y218	H53-I203 HydrophobicContact CB-CD1 3.47Å; H53-I203 VanDerWaalsContact CB-CD1 3.47Å; H53-I203 HydrophobicContact CB-CG1 3.88Å; H53-I203 HydrophobicContact CB-CG2 4.4Å; Y56-I203 HydrophobicContact CD2-CD1 3.87Å; Y56-I203 HydrophobicContact CG-CD1 4.15Å; L58-I203 HydrophobicContact CD2-CG2 4.07Å; K187-I203 VanDerWaalsContact CA-O 3.31Å; K187-I203 WeakPolarHBondContact CA-O 3.29Å; K187-I203 WeakPolarHBondContact CB-O 3.47Å; I188-I203 HydrophobicContact CD1-CD1 4.1Å; I188-I203 HydrophobicContact CG1-CB 3.9Å; I188-I203 HydrophobicContact CG1-CD1 4.3Å; I188-I203 HydrophobicContact CG1-CG1 4.41Å; I188-I203 PolarHBondContact N-O 2.81Å; I188-I203 VanDerWaalsContact N-O 3.15Å; I188-I203 PolarHBondContact O-N 3.13Å; I203-Y218 HydrophobicContact CB-CE1 3.95Å; I203-Y218 HydrophobicContact CG2-CD1 4.26Å; I203-Y218 HydrophobicContact CG2-CE1 3.61Å; I203-Y218 PolarHBondContact O-OH 2.92Å
204	D	95.8	Very high	90.4	Very high	60 Å²	60	54.3 Å²	54.3	32%	0.321	30%	0.299	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-79.8	138.4	178.9	-77.1	-34.3	0	0	0	111.2	K185 K187 P206	K185-D204 WeakPolarHBondContact CE-OD1 3.46Å; K185-D204 WeakPolarHBondContact CE-OD2 2.76Å; K185-D204 IonicContact NZ-OD1 3.38Å; K185-D204 PolarHBondContact NZ-OD1 3.18Å; K185-D204 IonicContact NZ-OD2 3.71Å; K185-D204 PolarHBondContact NZ-OD2 3.03Å; K187-D204 WeakPolarHBondContact CB-OD1 3.46Å; K187-D204 VanDerWaalsContact CD-OD1 3.24Å; K187-D204 WeakPolarHBondContact CD-OD1 3.44Å; D204-P206 WeakPolarHBondContact O-CD 3.28Å
205	V	96.9	Very high	91.2	Very high	1 Å²	1	54.2 Å²	54.2	1%	0.006	30%	0.298	C	S	.	.	P	Polyproline II helix	trans	-72	124.9	162.5	-176.6	0	0	0	0	108	I60 F170 Y172 S186 V207 R209 I210 V216 Y218	I60-V205 HydrophobicContact CD1-CG1 4.28Å; F170-V205 HydrophobicContact CD2-CG2 3.92Å; F170-V205 HydrophobicContact CE2-CG2 4.16Å; Y172-V205 HydrophobicContact CE2-CG1 4.38Å; Y172-V205 WeakPolarHBondContact OH-CG2 3.45Å; S186-V205 PolarHBondContact O-N 3.35Å; V205-V207 PolarHBondContact O-N 2.79Å; V205-V207 VanDerWaalsContact O-N 3.16Å; V205-R209 HydrophobicContact CG1-CB 4.34Å; V205-I210 HydrophobicContact CB-CD1 4.21Å; V205-I210 HydrophobicContact CB-CG1 4.06Å; V205-I210 HydrophobicContact CG1-CD1 4.38Å; V205-I210 HydrophobicContact CG1-CG1 3.69Å; V205-V216 HydrophobicContact CG1-CG2 3.78Å; V205-V216 HydrophobicContact CG2-CB 4.5Å; V205-V216 HydrophobicContact CG2-CG1 3.97Å; V205-V216 HydrophobicContact CG2-CG2 4.1Å; V205-Y218 WeakPolarHBondContact CG2-OH 3.45Å
206	P	95.2	Very high	92.2	Very high	34 Å²	34	46 Å²	46	22%	0.221	26%	0.259	C	S	.	.	P	Polyproline II helix	trans	-52.9	125.5	176.8	-26.9	34.2	0	0	0	110.8	I60 D204 K208 R209	I60-P206 HydrophobicContact CD1-CG 4.22Å; D204-P206 WeakPolarHBondContact O-CD 3.28Å; P206-K208 HydrophobicContact CB-CG 4.34Å; P206-K208 PolarHBondContact O-N 3.03Å; P206-R209 HydrophobicContact CB-CG 3.99Å; P206-R209 HydrophobicContact CG-CG 4.43Å; P206-R209 WeakPolarHBondContact O-CA 3.47Å; P206-R209 VanDerWaalsContact O-CB 3.32Å; P206-R209 WeakPolarHBondContact O-CB 3.48Å; P206-R209 PolarHBondContact O-N 2.77Å
207	V	96.1	Very high	93.1	Very high	61 Å²	61	40.8 Å²	40.8	37%	0.37	23%	0.226	S	C	.	.	G	3₁₀ helix	trans	-56.9	-31.4	-171	175	0	0	0	0	112.6	G181 R184 V205 R209 I210	G181-V207 VanDerWaalsContact C-CG1 3.49Å; G181-V207 WeakPolarHBondContact O-CG1 3.38Å; R184-V207 HydrophobicContact CG-CG1 4.38Å; R184-V207 PolarHBondContact NE-O 3.38Å; R184-V207 PolarHBondContact NH2-O 2.82Å; V205-V207 PolarHBondContact O-N 2.79Å; V205-V207 VanDerWaalsContact O-N 3.16Å; V207-R209 PolarHBondContact O-N 3.24Å; V207-I210 PolarHBondContact O-N 2.89Å
208	K	94.1	Very high	93.9	Very high	126 Å²	126	39.1 Å²	39.1	55%	0.548	21%	0.209	S	C	.	.	G	3₁₀ helix	trans	-63	-25.5	175	66.4	-177	-179.4	179.4	0	113.3	E44 P206	E44-K208 WeakPolarHBondContact OE1-CE 3.27Å; E44-K208 IonicContact OE1-NZ 3.58Å; E44-K208 PolarHBondContact OE1-NZ 2.7Å; E44-K208 IonicContact OE2-NZ 3.62Å; E44-K208 PolarHBondContact OE2-NZ 2.73Å; P206-K208 HydrophobicContact CB-CG 4.34Å; P206-K208 PolarHBondContact O-N 3.03Å
209	R	94.6	Very high	94.5	Very high	18 Å²	18	34.5 Å²	34.5	7%	0.068	18%	0.183	C	C	.	.	G	3₁₀ helix	trans	-90.3	-17.7	-179.2	-58.6	-69.2	177.2	179.4	-8.5	113.9	E44 N45 D46 I60 V205 P206 V207 K211 T214	E44-R209 VanDerWaalsContact CG-NH2 3.3Å; E44-R209 IonicContact OE1-CZ 3.12Å; E44-R209 IonicContact OE1-NE 3.83Å; E44-R209 IonicContact OE1-NH2 3.34Å; E44-R209 PolarHBondContact OE1-NH2 2.8Å; N45-R209 PolarHBondContact O-NH1 3.39Å; N45-R209 PolarHBondContact O-NH2 3.35Å; D46-R209 PolarHBondContact O-NH1 2.92Å; I60-R209 HydrophobicContact CD1-CB 4.26Å; I60-R209 HydrophobicContact CD1-CG 4.09Å; I60-R209 HydrophobicContact CG2-CB 4.07Å; I60-R209 HydrophobicContact CG2-CG 4.21Å; V205-R209 HydrophobicContact CG1-CB 4.34Å; P206-R209 HydrophobicContact CB-CG 3.99Å; P206-R209 HydrophobicContact CG-CG 4.43Å; P206-R209 WeakPolarHBondContact O-CA 3.47Å; P206-R209 VanDerWaalsContact O-CB 3.32Å; P206-R209 WeakPolarHBondContact O-CB 3.48Å; P206-R209 PolarHBondContact O-N 2.77Å; V207-R209 PolarHBondContact O-N 3.24Å; R209-K211 VanDerWaalsContact C-N 3.25Å; R209-K211 PolarHBondContact O-N 2.83Å; R209-T214 WeakPolarHBondContact O-CB 3.48Å; R209-T214 VanDerWaalsContact O-CG2 3.29Å; R209-T214 WeakPolarHBondContact O-CG2 3.34Å; R209-T214 PolarHBondContact O-OG1 2.95Å
210	I	96.4	Very high	94.9	Very high	0 Å²	0	34.8 Å²	34.8	0%	0	19%	0.187	C	C	.	.			trans	-72.4	73.6	179.1	-56.3	-179.2	0	0	0	110.5	Y172 R184 V205 V207	Y172-I210 HydrophobicContact CD1-CG2 3.87Å; Y172-I210 HydrophobicContact CE1-CB 4.41Å; Y172-I210 HydrophobicContact CE1-CG2 3.55Å; Y172-I210 HydrophobicContact CE2-CG1 4.49Å; R184-I210 HydrophobicContact CB-CG2 4.35Å; R184-I210 HydrophobicContact CG-CB 4.4Å; R184-I210 HydrophobicContact CG-CG2 4.14Å; R184-I210 PolarHBondContact NE-O 2.8Å; R184-I210 PolarHBondContact NH1-O 3.39Å; R184-I210 PolarHBondContact NH2-O 3.39Å; R184-I210 VanDerWaalsContact NH2-O 3.14Å; V205-I210 HydrophobicContact CB-CD1 4.21Å; V205-I210 HydrophobicContact CB-CG1 4.06Å; V205-I210 HydrophobicContact CG1-CD1 4.38Å; V205-I210 HydrophobicContact CG1-CG1 3.69Å; V207-I210 PolarHBondContact O-N 2.89Å
211	K	95.3	Very high	95	Very high	66 Å²	66	32 Å²	32	29%	0.287	17%	0.169	S	C	.	.	S	Bend	trans	-136.5	158.5	-177.7	63.3	-171.9	175.7	-170.9	0	111.1	Y172 R209 G213 T214	Y172-K211 WeakPolarHBondContact CB-O 3.28Å; R209-K211 VanDerWaalsContact C-N 3.25Å; R209-K211 PolarHBondContact O-N 2.83Å; K211-G213 PolarHBondContact O-N 3.36Å; K211-T214 VanDerWaalsContact CG-OG1 3.22Å; K211-T214 WeakPolarHBondContact CG-OG1 3.48Å; K211-T214 VanDerWaalsContact O-CB 3.3Å; K211-T214 WeakPolarHBondContact O-CB 3.18Å; K211-T214 PolarHBondContact O-N 2.94Å; K211-T214 VanDerWaalsContact O-N 3.12Å; K211-T214 PolarHBondContact O-OG1 3.42Å
212	T	96	Very high	94.9	Very high	77 Å²	77	32.5 Å²	32.5	47%	0.472	18%	0.177	S	C	.	.	T	Hydrogen-bonded Turn	trans	-47	132.1	178.3	-61.2	0	0	0	0	111.9	Y172 E173 I175 T214	Y172-T212 CarbonylContact O-C 3.6Å; Y172-T212 WeakPolarHBondContact O-CA 3.22Å; E173-T212 WeakPolarHBondContact O-CG2 3.47Å; I175-T212 PolarHBondContact N-OG1 3.49Å; I175-T212 PolarHBondContact O-OG1 3.39Å; T212-T214 VanDerWaalsContact C-N 3.34Å
213	G	94.9	Very high	94.4	Very high	22 Å²	22	30 Å²	30	23%	0.227	17%	0.167	C	C	.	.	T	Hydrogen-bonded Turn	trans	78.2	13	178.2	0	0	0	0	0	114.9	Y172 K211	Y172-G213 PolarHBondContact O-N 2.86Å; K211-G213 PolarHBondContact O-N 3.36Å
214	T	96.3	Very high	93.9	Very high	3 Å²	3	32 Å²	32	2%	0.018	18%	0.177	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-91.6	134.7	174	-53.2	0	0	0	0	110.2	I60 Y171 Y172 R209 K211 T212 V216	I60-T214 HydrophobicContact CG2-CG2 3.54Å; Y171-T214 WeakPolarHBondContact CD2-O 3.45Å; Y172-T214 HydrophobicContact CD2-CG2 4.33Å; Y172-T214 WeakPolarHBondContact CD2-O 3.23Å; Y172-T214 PolarHBondContact N-O 2.89Å; R209-T214 WeakPolarHBondContact O-CB 3.48Å; R209-T214 VanDerWaalsContact O-CG2 3.29Å; R209-T214 WeakPolarHBondContact O-CG2 3.34Å; R209-T214 PolarHBondContact O-OG1 2.95Å; K211-T214 VanDerWaalsContact CG-OG1 3.22Å; K211-T214 WeakPolarHBondContact CG-OG1 3.48Å; K211-T214 VanDerWaalsContact O-CB 3.3Å; K211-T214 WeakPolarHBondContact O-CB 3.18Å; K211-T214 PolarHBondContact O-N 2.94Å; K211-T214 VanDerWaalsContact O-N 3.12Å; K211-T214 PolarHBondContact O-OG1 3.42Å; T212-T214 VanDerWaalsContact C-N 3.34Å; T214-V216 HydrophobicContact CG2-CG2 4.45Å
215	L	97.5	Very high	93.6	Very high	12 Å²	12	29.3 Å²	29.3	6%	0.063	16%	0.163	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-109.2	132.1	171.5	-174.6	65.2	0	0	0	108.6	I60 S61 H63 L65 L169 Y171 E217	I60-L215 WeakPolarHBondContact CA-O 3.29Å; S61-L215 PolarHBondContact N-O 2.93Å; S61-L215 PolarHBondContact O-N 2.93Å; H63-L215 HydrophobicContact CB-CB 4.23Å; H63-L215 HydrophobicContact CB-CD2 3.93Å; L65-L215 HydrophobicContact CD2-CD1 4.5Å; L169-L215 HydrophobicContact CB-CD1 4.34Å; L169-L215 HydrophobicContact CD2-CD1 4.17Å; Y171-L215 HydrophobicContact CD2-CD1 4.24Å; L215-E217 HydrophobicContact CD2-CG 4.15Å; L215-E217 HydrophobicContact CG-CG 4.04Å
216	V	97.8	Very high	93	Very high	0 Å²	0	30 Å²	30	0%	0	17%	0.167	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-118.9	133	173.5	179.6	0	0	0	0	107.2	L58 R59 I60 L169 F170 Y172 V205 T214 Y218	L58-V216 HydrophobicContact CD1-CG1 3.35Å; R59-V216 CarbonylContact O-C 3.5Å; R59-V216 WeakPolarHBondContact O-CA 3.39Å; I60-V216 HydrophobicContact CD1-CG2 4.46Å; I60-V216 HydrophobicContact CG1-CG1 4.23Å; I60-V216 HydrophobicContact CG1-CG2 4.15Å; I60-V216 HydrophobicContact CG2-CG2 4.23Å; L169-V216 CarbonylContact C-O 3.54Å; L169-V216 WeakPolarHBondContact CA-O 3.49Å; F170-V216 HydrophobicContact CB-CB 4.13Å; F170-V216 PolarHBondContact N-O 3.33Å; F170-V216 PolarHBondContact O-N 3.49Å; Y172-V216 HydrophobicContact CE2-CG2 3.71Å; V205-V216 HydrophobicContact CG1-CG2 3.78Å; V205-V216 HydrophobicContact CG2-CB 4.5Å; V205-V216 HydrophobicContact CG2-CG1 3.97Å; V205-V216 HydrophobicContact CG2-CG2 4.1Å; T214-V216 HydrophobicContact CG2-CG2 4.45Å; V216-Y218 HydrophobicContact CG1-CD2 4.12Å; V216-Y218 HydrophobicContact CG1-CE2 3.58Å
217	E	97.2	Very high	92.4	Very high	24 Å²	24	31 Å²	31	11%	0.112	17%	0.168	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-127.2	117.9	-178.3	-54.8	176.1	85.3	0	0	108.1	L58 R59 K167 L169 L215	L58-E217 WeakPolarHBondContact CA-O 3.31Å; R59-E217 HydrophobicContact CB-CB 4.33Å; R59-E217 WeakPolarHBondContact CD-OE2 3.42Å; R59-E217 PolarHBondContact N-O 2.92Å; R59-E217 PolarHBondContact O-N 3.37Å; K167-E217 WeakPolarHBondContact CE-OE1 3.3Å; K167-E217 IonicContact NZ-OE1 3.26Å; K167-E217 PolarHBondContact NZ-OE1 3.25Å; L169-E217 HydrophobicContact CD2-CG 4.28Å; L169-E217 HydrophobicContact CG-CG 4.16Å; L215-E217 HydrophobicContact CD2-CG 4.15Å; L215-E217 HydrophobicContact CG-CG 4.04Å
218	Y	97.3	Very high	91.9	Very high	0 Å²	0	30.4 Å²	30.4	0%	0	16%	0.16	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-98.9	116.8	168.8	-58.7	-95	0	0	0	107.4	L58 K167 I168 F170 I188 I203 V205 V216	L58-Y218 HydrophobicContact CD1-CD1 3.62Å; L58-Y218 HydrophobicContact CD1-CD2 4.31Å; L58-Y218 HydrophobicContact CD1-CE1 3.47Å; L58-Y218 VanDerWaalsContact CD1-CE1 3.47Å; L58-Y218 HydrophobicContact CD1-CE2 4.19Å; L58-Y218 HydrophobicContact CD1-CG 4.05Å; L58-Y218 HydrophobicContact CD2-CE1 4.49Å; L58-Y218 HydrophobicContact CG-CE1 4.48Å; K167-Y218 WeakPolarHBondContact CA-O 3.35Å; I168-Y218 HydrophobicContact CB-CD2 4.37Å; I168-Y218 HydrophobicContact CG2-CD2 4.4Å; I168-Y218 PolarHBondContact N-O 2.62Å; I168-Y218 PolarHBondContact O-N 2.91Å; F170-Y218 HydrophobicContact CD1-CE2 4.17Å; F170-Y218 HydrophobicContact CD2-CE2 4.08Å; F170-Y218 HydrophobicContact CE1-CD2 4.36Å; F170-Y218 AromaticContact CE1-CE2 3.91Å; F170-Y218 HydrophobicContact CE1-CE2 3.91Å; F170-Y218 AromaticContact CE2-CE2 3.84Å; F170-Y218 HydrophobicContact CE2-CE2 3.84Å; F170-Y218 HydrophobicContact CG-CE2 4.23Å; F170-Y218 AromaticContact CZ-CE2 3.73Å; F170-Y218 HydrophobicContact CZ-CE2 3.73Å; I188-Y218 HydrophobicContact CD1-CD1 3.39Å; I188-Y218 HydrophobicContact CD1-CE1 3.79Å; I188-Y218 HydrophobicContact CD1-CG 3.82Å; I188-Y218 HydrophobicContact CG1-CD1 3.89Å; I188-Y218 HydrophobicContact CG1-CE1 3.72Å; I188-Y218 HydrophobicContact CG2-CD2 4.33Å; I188-Y218 HydrophobicContact CG2-CE1 4.42Å; I188-Y218 HydrophobicContact CG2-CE2 4.12Å; I203-Y218 HydrophobicContact CB-CE1 3.95Å; I203-Y218 HydrophobicContact CG2-CD1 4.26Å; I203-Y218 HydrophobicContact CG2-CE1 3.61Å; I203-Y218 PolarHBondContact O-OH 2.92Å; V205-Y218 WeakPolarHBondContact CG2-OH 3.45Å; V216-Y218 HydrophobicContact CG1-CD2 4.12Å; V216-Y218 HydrophobicContact CG1-CE2 3.58Å
219	E	94.4	Very high	91.5	Very high	24 Å²	24	29.8 Å²	29.8	11%	0.112	16%	0.162	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-111.7	119.2	-177.9	-179.6	155.7	-155.4	0	0	110.1	Y56 L57 I221 K257	Y56-E219 CarbonylContact C-O 3.49Å; Y56-E219 WeakPolarHBondContact CA-O 3.22Å; L57-E219 HydrophobicContact CB-CB 4.4Å; L57-E219 PolarHBondContact N-O 2.88Å; L57-E219 PolarHBondContact O-N 3.43Å; E219-I221 PolarHBondContact O-N 2.83Å; E219-K257 VanDerWaalsContact CG-NZ 3.26Å; E219-K257 VanDerWaalsContact OE1-CD 3.29Å; E219-K257 WeakPolarHBondContact OE1-CD 3.16Å; E219-K257 WeakPolarHBondContact OE1-CE 3.31Å; E219-K257 IonicContact OE1-NZ 3.03Å; E219-K257 PolarHBondContact OE1-NZ 2.82Å; E219-K257 IonicContact OE2-NZ 2.7Å
220	P	93.4	Very high	91.1	Very high	32 Å²	32	30.2 Å²	30.2	21%	0.208	17%	0.168	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-59.2	130.7	174.9	-21	30.3	0	0	0	110.9	N55 Y56 G166	N55-P220 WeakPolarHBondContact O-CA 2.98Å; Y56-P220 HydrophobicContact CD1-CG 4.48Å; Y56-P220 HydrophobicContact CE1-CB 4.4Å; Y56-P220 HydrophobicContact CE1-CG 3.91Å; G166-P220 WeakPolarHBondContact O-CD 3.39Å; G166-P220 WeakPolarHBondContact O-CG 3.11Å
221	I	90.2	Very high	90.9	Very high	10 Å²	10	32.4 Å²	32.4	5%	0.051	18%	0.179	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-130	5.4	175.6	58.6	172.6	0	0	0	111.7	L52 N55 L57 E219 P226 P251	L52-I221 HydrophobicContact CD1-CD1 3.2Å; L52-I221 HydrophobicContact CG-CD1 4.37Å; N55-I221 WeakPolarHBondContact O-CG1 3.25Å; N55-I221 PolarHBondContact O-N 3.2Å; L57-I221 HydrophobicContact CB-CD1 4.28Å; L57-I221 HydrophobicContact CB-CG2 3.94Å; E219-I221 PolarHBondContact O-N 2.83Å; I221-P226 HydrophobicContact CD1-CB 4.43Å; I221-P226 HydrophobicContact CD1-CG 3.52Å; I221-P226 HydrophobicContact CG1-CG 3.95Å; I221-P251 HydrophobicContact CB-CG 4.23Å; I221-P251 WeakPolarHBondContact O-CD 3.35Å; I221-P251 WeakPolarHBondContact O-CG 3.14Å
222	G	86.7	Confident	90.7	Very high	20 Å²	20	34.5 Å²	34.5	21%	0.206	19%	0.19	C	C	.	.	E	Extended strand (participates in β ladder)	trans	65.8	-178.3	-176.1	0	0	0	0	0	113.3	N55 P226	N55-G222 WeakPolarHBondContact CA-O 3.42Å; N55-G222 PolarHBondContact OD1-O 2.94Å; G222-P226 WeakPolarHBondContact O-CG 3.32Å
223	N	82.3	Confident	90.3	Very high	35 Å²	35	34.4 Å²	34.4	19%	0.187	18%	0.184	C	C	.	.	S	Bend	trans	-105.4	-8.5	-173.9	56.1	-8.2	0	0	0	114.3	I29 Y54 N55 N90	I29-N223 HydrophobicContact CD1-CB 4.19Å; Y54-N223 HydrophobicContact CD2-CB 4.5Å; Y54-N223 HydrophobicContact CE2-CB 3.5Å; Y54-N223 WeakPolarHBondContact OH-CB 3.33Å; Y54-N223 PolarHBondContact OH-ND2 3.4Å; N55-N223 WeakPolarHBondContact OD1-CA 3.5Å; N55-N223 VanDerWaalsContact OD1-CB 3.26Å; N55-N223 WeakPolarHBondContact OD1-CB 3.25Å; N55-N223 PolarHBondContact OD1-N 3.42Å; N55-N223 VanDerWaalsContact OD1-N 3.09Å; N90-N223 PolarHBondContact ND2-ND2 3.25Å; N90-N223 PolarHBondContact ND2-OD1 2.82Å
224	I	84.2	Confident	90.1	Very high	47 Å²	47	33.4 Å²	33.4	24%	0.241	17%	0.174	C	C	.	.	S	Bend	trans	-73.9	-59	-172.9	-60.2	175.1	0	0	0	110.6	K227 Y228 E237	I224-K227 WeakPolarHBondContact O-CD 3.46Å; I224-K227 WeakPolarHBondContact O-CE 3.17Å; I224-K227 WeakPolarHBondContact O-CG 3.43Å; I224-Y228 WeakPolarHBondContact O-CE2 3.42Å; I224-E237 HydrophobicContact CG2-CG 3.92Å
225	C	88.4	Confident	89.8	Confident	3 Å²	3	39.4 Å²	39.4	2%	0.02	20%	0.202	C	C	.	.	G	3₁₀ helix	trans	-70.2	-42.4	-175.4	-52.9	0	0	0	0	114.6	K227 Y228 C240 C249 I250 P251	C225-K227 PolarHBondContact O-N 2.97Å; C225-Y228 PolarHBondContact O-N 2.89Å; C225-Y228 VanDerWaalsContact O-N 3.1Å; C225-C240 WeakPolarHBondContact CA-SG 3.19Å; C225-C240 HydrophobicContact CB-CB 3.8Å; C225-C240 WeakPolarHBondContact CB-SG 3.29Å; C225-C240 VanDerWaalsContact SG-CA 3.54Å; C225-C240 WeakPolarHBondContact SG-CB 3.35Å; C225-C240 CovalentContact SG-SG 2.02Å; C225-C240 PolarHBondContact SG-SG 2.81Å; C225-C249 CarbonylContact C-O 3.5Å; C225-C249 VanDerWaalsContact O-CB 3.3Å; C225-C249 WeakPolarHBondContact O-CB 3.41Å; C225-C249 PolarHBondContact O-SG 3.35Å; C225-I250 VanDerWaalsContact SG-C 3.59Å; C225-P251 VanDerWaalsContact SG-CA 3.54Å
226	P	85	Confident	89.4	Confident	15 Å²	15	48.4 Å²	48.4	10%	0.097	24%	0.236	C	C	.	.	G	3₁₀ helix	trans	-64	-10.9	-172.2	-27.2	38.4	0	0	0	115.8	L52 I221 G222	L52-P226 HydrophobicContact CD1-CB 4.48Å; L52-P226 HydrophobicContact CD2-CB 4.12Å; L52-P226 HydrophobicContact CG-CB 4.38Å; I221-P226 HydrophobicContact CD1-CB 4.43Å; I221-P226 HydrophobicContact CD1-CG 3.52Å; I221-P226 HydrophobicContact CG1-CG 3.95Å; G222-P226 WeakPolarHBondContact O-CG 3.32Å
227	K	82.2	Confident	88.8	Confident	56 Å²	56	50.4 Å²	50.4	24%	0.243	25%	0.246	C	C	.	.	G	3₁₀ helix	trans	-78.2	-24.4	177.2	77.8	-164.3	179.6	162.4	0	113.1	D28 Y38 I224 C225	D28-K227 IonicContact OD2-NZ 2.67Å; Y38-K227 HydrophobicContact CE1-CB 4.12Å; I224-K227 WeakPolarHBondContact O-CD 3.46Å; I224-K227 WeakPolarHBondContact O-CE 3.17Å; I224-K227 WeakPolarHBondContact O-CG 3.43Å; C225-K227 PolarHBondContact O-N 2.97Å
228	Y	86.3	Confident	88.3	Confident	48 Å²	48	55.1 Å²	55.1	19%	0.188	28%	0.276	C	S	.	.			trans	-79.5	126.4	-178.9	-57.5	-54.8	0	0	0	110.4	I224 C225 E233 E237	I224-Y228 WeakPolarHBondContact O-CE2 3.42Å; C225-Y228 PolarHBondContact O-N 2.89Å; C225-Y228 VanDerWaalsContact O-N 3.1Å; Y228-E233 HydrophobicContact CD1-CB 3.69Å; Y228-E233 HydrophobicContact CD1-CG 4.45Å; Y228-E233 HydrophobicContact CG-CB 4.02Å; Y228-E237 HydrophobicContact CD2-CB 4.31Å; Y228-E237 HydrophobicContact CE2-CB 3.5Å; Y228-E237 VanDerWaalsContact CE2-CB 3.5Å; Y228-E237 HydrophobicContact CE2-CG 3.92Å
229	N	84.5	Confident	87.9	Confident	113 Å²	113	58.2 Å²	58.2	60%	0.604	30%	0.295	S	S	*	.			trans	-107.6	-3.8	-172.4	70.4	25.7	0	0	0	113.6	E233 W242	N229-E233 PolarHBondContact N-OE2 2.87Å; N229-E233 VanDerWaalsContact N-OE2 3.1Å; N229-E233 PolarHBondContact OD1-OE2 3.05Å; N229-W242 WeakPolarHBondContact O-CH2 3.1Å
230	S	87.2	Confident	87.8	Confident	27 Å²	27	57.6 Å²	57.6	19%	0.189	29%	0.293	C	S	.	.	S	Bend	trans	-127.9	160.2	179.7	65	0	0	0	0	111.2	E232 E233 C234 W242	S230-E232 VanDerWaalsContact C-N 3.3Å; S230-E232 WeakPolarHBondContact CB-OE2 3.37Å; S230-E233 VanDerWaalsContact OG-CB 3.32Å; S230-E233 WeakPolarHBondContact OG-CB 3.47Å; S230-E233 WeakPolarHBondContact OG-CG 3.31Å; S230-E233 PolarHBondContact OG-N 3.38Å; S230-C234 WeakPolarHBondContact O-CB 3.29Å; S230-C234 PolarHBondContact O-N 2.89Å; S230-C234 VanDerWaalsContact O-N 3.13Å; S230-W242 WeakPolarHBondContact O-CZ3 3.37Å
231	I	90.9	Very high	87.7	Confident	47 Å²	47	58.7 Å²	58.7	24%	0.241	30%	0.297	C	S	.	.	H	α-helix	trans	-67.1	-37.7	-179.9	-171.3	166	0	0	0	110.6	C234 Q235 W242	I231-C234 PolarHBondContact O-N 2.86Å; I231-Q235 HydrophobicContact CG1-CG 4.2Å; I231-Q235 VanDerWaalsContact O-CB 3.31Å; I231-Q235 WeakPolarHBondContact O-CB 3.44Å; I231-Q235 WeakPolarHBondContact O-CG 3.48Å; I231-Q235 PolarHBondContact O-N 3.09Å; I231-W242 HydrophobicContact CB-CD2 4.09Å; I231-W242 HydrophobicContact CB-CG 4Å; I231-W242 HydrophobicContact CD1-CG 4.18Å; I231-W242 HydrophobicContact CG1-CB 3.98Å; I231-W242 HydrophobicContact CG1-CD2 4.35Å; I231-W242 HydrophobicContact CG1-CG 3.74Å
232	E	91.1	Very high	87.7	Confident	109 Å²	109	59.8 Å²	59.8	51%	0.509	30%	0.3	S	S	.	.	H	α-helix	trans	-62.4	-55.8	-179.7	-60.8	75.5	-163.6	0	0	109.8	S230 C234 Q235 Y236	S230-E232 VanDerWaalsContact C-N 3.3Å; S230-E232 WeakPolarHBondContact CB-OE2 3.37Å; E232-C234 VanDerWaalsContact C-N 3.3Å; E232-C234 PolarHBondContact O-N 3.43Å; E232-Q235 PolarHBondContact O-N 2.81Å; E232-Q235 VanDerWaalsContact O-N 3.15Å; E232-Y236 VanDerWaalsContact C-CD2 3.49Å; E232-Y236 HydrophobicContact CB-CE2 4.2Å; E232-Y236 WeakPolarHBondContact O-CD2 3.44Å; E232-Y236 PolarHBondContact O-N 2.99Å
233	E	89	Confident	87.9	Confident	76 Å²	76	58.9 Å²	58.9	36%	0.355	29%	0.291	S	S	.	.	H	α-helix	trans	-54.6	-44.5	176.6	-75.5	174.6	-174	0	0	112.6	Y228 N229 S230 Q235 Y236	Y228-E233 HydrophobicContact CD1-CB 3.69Å; Y228-E233 HydrophobicContact CD1-CG 4.45Å; Y228-E233 HydrophobicContact CG-CB 4.02Å; N229-E233 PolarHBondContact N-OE2 2.87Å; N229-E233 VanDerWaalsContact N-OE2 3.1Å; N229-E233 PolarHBondContact OD1-OE2 3.05Å; S230-E233 VanDerWaalsContact OG-CB 3.32Å; S230-E233 WeakPolarHBondContact OG-CB 3.47Å; S230-E233 WeakPolarHBondContact OG-CG 3.31Å; S230-E233 PolarHBondContact OG-N 3.38Å; E233-Q235 PolarHBondContact O-N 3.45Å; E233-Y236 PolarHBondContact O-N 3.41Å
234	C	90.5	Very high	88.1	Confident	0 Å²	0	64.1 Å²	64.1	0%	0	31%	0.312	C	S	.	.	H	α-helix	trans	-66	-38.6	-179.6	-173.4	0	0	0	0	112.5	S230 I231 E232 E237 I241 W242 C249	S230-C234 WeakPolarHBondContact O-CB 3.29Å; S230-C234 PolarHBondContact O-N 2.89Å; S230-C234 VanDerWaalsContact O-N 3.13Å; I231-C234 PolarHBondContact O-N 2.86Å; E232-C234 VanDerWaalsContact C-N 3.3Å; E232-C234 PolarHBondContact O-N 3.43Å; C234-E237 PolarHBondContact O-N 3.21Å; C234-I241 VanDerWaalsContact SG-C 3.51Å; C234-W242 HydrophobicContact CB-CB 4.29Å; C234-W242 HydrophobicContact CB-CE3 3.7Å; C234-W242 HydrophobicContact CB-CZ3 4.46Å; C234-C249 VanDerWaalsContact CA-SG 3.52Å; C234-C249 HydrophobicContact CB-CB 3.65Å; C234-C249 WeakPolarHBondContact CB-SG 3.48Å; C234-C249 VanDerWaalsContact SG-CA 3.54Å; C234-C249 WeakPolarHBondContact SG-CB 3.38Å; C234-C249 CovalentContact SG-SG 2.03Å; C234-C249 PolarHBondContact SG-SG 2.9Å
235	Q	89.4	Confident	88	Confident	130 Å²	130	65.9 Å²	65.9	61%	0.607	32%	0.319	S	S	*	.	H	α-helix	trans	-74.8	-26.5	-178.9	-76.2	177.5	-21	0	0	113.1	I231 E232 E233 E237	I231-Q235 HydrophobicContact CG1-CG 4.2Å; I231-Q235 VanDerWaalsContact O-CB 3.31Å; I231-Q235 WeakPolarHBondContact O-CB 3.44Å; I231-Q235 WeakPolarHBondContact O-CG 3.48Å; I231-Q235 PolarHBondContact O-N 3.09Å; E232-Q235 PolarHBondContact O-N 2.81Å; E232-Q235 VanDerWaalsContact O-N 3.15Å; E233-Q235 PolarHBondContact O-N 3.45Å; Q235-E237 PolarHBondContact O-N 3.48Å
236	Y	88.3	Confident	87.7	Confident	200 Å²	200	66 Å²	66	78%	0.784	32%	0.32	S	S	*	.	H	α-helix	trans	-61.8	-31.8	171.5	-75.4	-66.5	0	0	0	111.9	E232 E233 T238	E232-Y236 VanDerWaalsContact C-CD2 3.49Å; E232-Y236 HydrophobicContact CB-CE2 4.2Å; E232-Y236 WeakPolarHBondContact O-CD2 3.44Å; E232-Y236 PolarHBondContact O-N 2.99Å; E233-Y236 PolarHBondContact O-N 3.41Å; Y236-T238 PolarHBondContact O-N 3.03Å
237	E	85.8	Confident	87.8	Confident	43 Å²	43	69.4 Å²	69.4	20%	0.201	34%	0.338	C	S	.	.	S	Bend	trans	-86.1	100.6	174.2	-177.7	59.9	-113.4	0	0	110.7	I224 Y228 C234 Q235 T239 C240	I224-E237 HydrophobicContact CG2-CG 3.92Å; Y228-E237 HydrophobicContact CD2-CB 4.31Å; Y228-E237 HydrophobicContact CE2-CB 3.5Å; Y228-E237 VanDerWaalsContact CE2-CB 3.5Å; Y228-E237 HydrophobicContact CE2-CG 3.92Å; C234-E237 PolarHBondContact O-N 3.21Å; Q235-E237 PolarHBondContact O-N 3.48Å; E237-T239 WeakPolarHBondContact CG-OG1 3.46Å; E237-T239 PolarHBondContact O-N 2.93Å; E237-T239 PolarHBondContact OE1-OG1 3.24Å; E237-C240 HydrophobicContact CB-CB 4.21Å; E237-C240 HydrophobicContact CG-CB 4.14Å; E237-C240 WeakPolarHBondContact CG-SG 3.25Å; E237-C240 WeakPolarHBondContact O-CB 3.27Å; E237-C240 PolarHBondContact O-N 3.44Å
238	T	86.1	Confident	88.1	Confident	123 Å²	123	66.9 Å²	66.9	76%	0.755	33%	0.327	S	S	*	.	T	Hydrogen-bonded Turn	trans	-58.6	-20.4	-176.6	61.1	0	0	0	0	114.9	Y236 C240	Y236-T238 PolarHBondContact O-N 3.03Å; T238-C240 VanDerWaalsContact C-N 3.28Å
239	T	89.4	Confident	88.3	Confident	64 Å²	64	64.6 Å²	64.6	39%	0.393	32%	0.318	S	S	.	.	T	Hydrogen-bonded Turn	trans	-83.7	-2.2	176.3	61.1	0	0	0	0	113.6	E237 P251 N252	E237-T239 WeakPolarHBondContact CG-OG1 3.46Å; E237-T239 PolarHBondContact O-N 2.93Å; E237-T239 PolarHBondContact OE1-OG1 3.24Å; T239-P251 WeakPolarHBondContact O-CA 3.49Å; T239-N252 PolarHBondContact O-N 3.25Å
240	C	91.9	Very high	88.5	Confident	11 Å²	11	59.3 Å²	59.3	7%	0.074	29%	0.29	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-113.9	161.3	-176.8	-57.5	0	0	0	0	112.9	C225 E237 T238 C249 I250	C225-C240 WeakPolarHBondContact CA-SG 3.19Å; C225-C240 HydrophobicContact CB-CB 3.8Å; C225-C240 WeakPolarHBondContact CB-SG 3.29Å; C225-C240 VanDerWaalsContact SG-CA 3.54Å; C225-C240 WeakPolarHBondContact SG-CB 3.35Å; C225-C240 CovalentContact SG-SG 2.02Å; C225-C240 PolarHBondContact SG-SG 2.81Å; E237-C240 HydrophobicContact CB-CB 4.21Å; E237-C240 HydrophobicContact CG-CB 4.14Å; E237-C240 WeakPolarHBondContact CG-SG 3.25Å; E237-C240 WeakPolarHBondContact O-CB 3.27Å; E237-C240 PolarHBondContact O-N 3.44Å; T238-C240 VanDerWaalsContact C-N 3.28Å; C240-C249 VanDerWaalsContact CB-SG 3.5Å; C240-I250 CarbonylContact C-O 3.47Å; C240-I250 VanDerWaalsContact CA-O 3.32Å; C240-I250 WeakPolarHBondContact CA-O 3.36Å
241	I	91.9	Very high	88.6	Confident	56 Å²	56	59.1 Å²	59.1	29%	0.287	29%	0.288	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-137.1	137.2	173.3	-171.6	169.7	0	0	0	109.8	C234 I250 N252	C234-I241 VanDerWaalsContact SG-C 3.51Å; I241-I250 HydrophobicContact CG2-CD1 4.44Å; I241-I250 HydrophobicContact CG2-CG1 3.74Å; I241-I250 PolarHBondContact N-O 3.33Å; I241-I250 PolarHBondContact O-N 2.86Å; I241-N252 HydrophobicContact CB-CB 4.19Å; I241-N252 HydrophobicContact CG2-CB 4.25Å
242	W	91.5	Very high	88.5	Confident	33 Å²	33	59.9 Å²	59.9	13%	0.125	29%	0.293	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-89.2	122.4	176.4	-176.1	-98.4	0	0	0	111.2	N229 S230 I231 C234 N247 C249	N229-W242 WeakPolarHBondContact O-CH2 3.1Å; S230-W242 WeakPolarHBondContact O-CZ3 3.37Å; I231-W242 HydrophobicContact CB-CD2 4.09Å; I231-W242 HydrophobicContact CB-CG 4Å; I231-W242 HydrophobicContact CD1-CG 4.18Å; I231-W242 HydrophobicContact CG1-CB 3.98Å; I231-W242 HydrophobicContact CG1-CD2 4.35Å; I231-W242 HydrophobicContact CG1-CG 3.74Å; C234-W242 HydrophobicContact CB-CB 4.29Å; C234-W242 HydrophobicContact CB-CE3 3.7Å; C234-W242 HydrophobicContact CB-CZ3 4.46Å; W242-N247 VanDerWaalsContact CH2-C 3.46Å; W242-N247 HydrophobicContact CH2-CB 4.27Å; W242-N247 WeakPolarHBondContact CH2-O 3.18Å; W242-N247 VanDerWaalsContact CZ2-C 3.46Å; W242-N247 VanDerWaalsContact CZ2-CA 3.43Å; W242-N247 HydrophobicContact CZ2-CB 3.77Å; W242-C249 HydrophobicContact CE3-CB 3.93Å; W242-C249 HydrophobicContact CZ3-CB 4.18Å
243	L	89.1	Confident	87.9	Confident	0 Å²	0	61.4 Å²	61.4	0%	0	30%	0.304	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-95.5	108.4	173.1	-58.1	-171.2	0	0	0	110.2	E245 G246 N247 I248 I250 I261 E262 L265	L243-E245 PolarHBondContact O-N 3.3Å; L243-G246 PolarHBondContact O-N 3.05Å; L243-N247 WeakPolarHBondContact O-CA 3.18Å; L243-N247 PolarHBondContact O-N 3.41Å; L243-I248 HydrophobicContact CB-CG1 3.92Å; L243-I248 HydrophobicContact CD1-CD1 4.17Å; L243-I248 HydrophobicContact CD1-CG1 4.2Å; L243-I248 HydrophobicContact CG-CG1 4.35Å; L243-I248 PolarHBondContact N-O 3.37Å; L243-I248 PolarHBondContact O-N 2.88Å; L243-I250 HydrophobicContact CD1-CD1 3.52Å; L243-I250 HydrophobicContact CD1-CG1 4.15Å; L243-I250 HydrophobicContact CD2-CD1 4.42Å; L243-I250 HydrophobicContact CG-CD1 4Å; L243-I250 HydrophobicContact CG-CG1 4.14Å; L243-I261 HydrophobicContact CD1-CB 3.97Å; L243-I261 HydrophobicContact CD1-CG2 3.44Å; L243-I261 VanDerWaalsContact CD1-CG2 3.44Å; L243-E262 HydrophobicContact CD2-CB 4.35Å; L243-L265 HydrophobicContact CD1-CD1 4.43Å
244	K	86.5	Confident	87.5	Confident	145 Å²	145	61.3 Å²	61.3	63%	0.63	31%	0.306	S	S	*	.	T	Hydrogen-bonded Turn	trans	-61.6	-45.3	-174	-67.9	-178.8	179.3	178.9	0	113.3	G246 N247	K244-G246 PolarHBondContact O-N 3.18Å; K244-N247 PolarHBondContact O-N 2.64Å; K244-N247 PolarHBondContact O-OD1 2.81Å
245	E	82.6	Confident	87	Confident	85 Å²	85	69.3 Å²	69.3	40%	0.397	34%	0.341	S	S	.	.	T	Hydrogen-bonded Turn	trans	-62.7	-28.1	-177.4	-68.8	-68.5	168.7	0	0	113	L243 L265 N269	L243-E245 PolarHBondContact O-N 3.3Å; E245-L265 HydrophobicContact CB-CB 3.69Å; E245-L265 HydrophobicContact CB-CD1 4.38Å; E245-N269 PolarHBondContact OE2-ND2 3.15Å
246	G	82.1	Confident	86.5	Confident	4 Å²	4	69.4 Å²	69.4	4%	0.041	35%	0.345	C	S	.	.	T	Hydrogen-bonded Turn	trans	-101.3	-12.7	177.8	0	0	0	0	0	114.2	K40 L243 K244 I248	K40-G246 WeakPolarHBondContact CE-O 3.4Å; L243-G246 PolarHBondContact O-N 3.05Å; K244-G246 PolarHBondContact O-N 3.18Å; G246-I248 PolarHBondContact O-N 2.91Å
247	N	86.9	Confident	86.2	Confident	88 Å²	88	61.9 Å²	61.9	47%	0.471	32%	0.317	S	S	.	.	T	Hydrogen-bonded Turn	trans	50	44.1	-165.3	-62.9	-60.6	0	0	0	112.2	K40 W242 L243 K244	K40-N247 WeakPolarHBondContact CE-O 3.47Å; K40-N247 PolarHBondContact NZ-O 3.27Å; W242-N247 VanDerWaalsContact CH2-C 3.46Å; W242-N247 HydrophobicContact CH2-CB 4.27Å; W242-N247 WeakPolarHBondContact CH2-O 3.18Å; W242-N247 VanDerWaalsContact CZ2-C 3.46Å; W242-N247 VanDerWaalsContact CZ2-CA 3.43Å; W242-N247 HydrophobicContact CZ2-CB 3.77Å; L243-N247 WeakPolarHBondContact O-CA 3.18Å; L243-N247 PolarHBondContact O-N 3.41Å; K244-N247 PolarHBondContact O-N 2.64Å; K244-N247 PolarHBondContact O-OD1 2.81Å
248	I	88.9	Confident	86	Confident	2 Å²	2	60.1 Å²	60.1	1%	0.01	31%	0.309	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-122.1	145.5	-177.2	56.4	174.7	0	0	0	111.7	K40 V42 L52 L243 G246 I250	K40-I248 HydrophobicContact CD-CG2 3.97Å; V42-I248 HydrophobicContact CG1-CD1 4.11Å; V42-I248 HydrophobicContact CG1-CG2 4.26Å; V42-I248 HydrophobicContact CG2-CD1 4.17Å; V42-I248 HydrophobicContact CG2-CG2 3.72Å; L52-I248 HydrophobicContact CB-CG2 4.36Å; L52-I248 HydrophobicContact CD2-CB 4.16Å; L52-I248 HydrophobicContact CD2-CG2 3.86Å; L243-I248 HydrophobicContact CB-CG1 3.92Å; L243-I248 HydrophobicContact CD1-CD1 4.17Å; L243-I248 HydrophobicContact CD1-CG1 4.2Å; L243-I248 HydrophobicContact CG-CG1 4.35Å; L243-I248 PolarHBondContact N-O 3.37Å; L243-I248 PolarHBondContact O-N 2.88Å; G246-I248 PolarHBondContact O-N 2.91Å; I248-I250 HydrophobicContact CD1-CG2 4Å; I248-I250 HydrophobicContact CG1-CG2 4.28Å
249	C	89.7	Confident	85.8	Confident	1 Å²	1	59.7 Å²	59.7	1%	0.007	30%	0.298	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-100.1	122.3	171.5	-169.6	0	0	0	0	110	C225 C234 C240 W242	C225-C249 CarbonylContact C-O 3.5Å; C225-C249 VanDerWaalsContact O-CB 3.3Å; C225-C249 WeakPolarHBondContact O-CB 3.41Å; C225-C249 PolarHBondContact O-SG 3.35Å; C234-C249 VanDerWaalsContact CA-SG 3.52Å; C234-C249 HydrophobicContact CB-CB 3.65Å; C234-C249 WeakPolarHBondContact CB-SG 3.48Å; C234-C249 VanDerWaalsContact SG-CA 3.54Å; C234-C249 WeakPolarHBondContact SG-CB 3.38Å; C234-C249 CovalentContact SG-SG 2.03Å; C234-C249 PolarHBondContact SG-SG 2.9Å; C240-C249 VanDerWaalsContact CB-SG 3.5Å; W242-C249 HydrophobicContact CE3-CB 3.93Å; W242-C249 HydrophobicContact CZ3-CB 4.18Å
250	I	90.5	Very high	85.4	Confident	2 Å²	2	60.7 Å²	60.7	1%	0.01	30%	0.301	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-130.2	161.6	-179.6	65.4	168.4	0	0	0	111.1	L52 C225 C240 I241 L243 I248 N258 I261	L52-I250 HydrophobicContact CD1-CG2 4.46Å; C225-I250 VanDerWaalsContact SG-C 3.59Å; C240-I250 CarbonylContact C-O 3.47Å; C240-I250 VanDerWaalsContact CA-O 3.32Å; C240-I250 WeakPolarHBondContact CA-O 3.36Å; I241-I250 HydrophobicContact CG2-CD1 4.44Å; I241-I250 HydrophobicContact CG2-CG1 3.74Å; I241-I250 PolarHBondContact N-O 3.33Å; I241-I250 PolarHBondContact O-N 2.86Å; L243-I250 HydrophobicContact CD1-CD1 3.52Å; L243-I250 HydrophobicContact CD1-CG1 4.15Å; L243-I250 HydrophobicContact CD2-CD1 4.42Å; L243-I250 HydrophobicContact CG-CD1 4Å; L243-I250 HydrophobicContact CG-CG1 4.14Å; I248-I250 HydrophobicContact CD1-CG2 4Å; I248-I250 HydrophobicContact CG1-CG2 4.28Å; I250-N258 VanDerWaalsContact CD1-OD1 3.23Å; I250-N258 WeakPolarHBondContact CD1-OD1 3.29Å; I250-I261 HydrophobicContact CD1-CD1 3.79Å
251	P	89.3	Confident	85	Confident	22 Å²	22	60.2 Å²	60.2	14%	0.143	30%	0.297	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-62.8	141.8	176	-21	31.2	0	0	0	113.2	I221 C225 T239 N253 N258	I221-P251 HydrophobicContact CB-CG 4.23Å; I221-P251 WeakPolarHBondContact O-CD 3.35Å; I221-P251 WeakPolarHBondContact O-CG 3.14Å; C225-P251 VanDerWaalsContact SG-CA 3.54Å; T239-P251 WeakPolarHBondContact O-CA 3.49Å; P251-N253 PolarHBondContact O-N 2.66Å; P251-N258 PolarHBondContact O-ND2 2.88Å; P251-N258 PolarHBondContact O-OD1 2.97Å
252	N	88.3	Confident	84.5	Confident	64 Å²	64	61 Å²	61	34%	0.342	30%	0.3	S	S	.	.			trans	-88.6	31.8	177.8	-164.2	21.2	0	0	0	113.6	T239 I241 N258	T239-N252 PolarHBondContact O-N 3.25Å; I241-N252 HydrophobicContact CB-CB 4.19Å; I241-N252 HydrophobicContact CG2-CB 4.25Å; N252-N258 PolarHBondContact OD1-ND2 2.89Å
253	N	79.2	Confident	84.1	Confident	141 Å²	141	61.9 Å²	61.9	75%	0.754	31%	0.307	S	S	*	.	S	Bend	trans	-78.8	-24.6	-171.9	-66.1	-13.9	0	0	0	113.7	P251	P251-N253 PolarHBondContact O-N 2.66Å
254	D	78.9	Confident	83.7	Confident	74 Å²	74	63.7 Å²	63.7	40%	0.396	32%	0.315	S	S	.	.			trans	-141.3	104.7	-174.9	-179.5	-16.8	0	0	0	109.4	D256 K257 N258	D254-D256 VanDerWaalsContact C-N 3.3Å; D254-D256 PolarHBondContact O-N 3.17Å; D254-D256 WeakPolarHBondContact OD1-CB 3.48Å; D254-D256 PolarHBondContact OD1-N 2.67Å; D254-K257 HydrophobicContact CB-CB 3.74Å; D254-K257 HydrophobicContact CB-CD 4.43Å; D254-K257 VanDerWaalsContact CG-CB 3.4Å; D254-K257 PolarHBondContact O-N 2.74Å; D254-K257 PolarHBondContact OD1-N 2.92Å; D254-N258 WeakPolarHBondContact O-CB 3.29Å; D254-N258 PolarHBondContact O-N 3.39Å; D254-N258 PolarHBondContact O-ND2 3.26Å; D254-N258 PolarHBondContact O-OD1 3.4Å
255	K	80.3	Confident	83.5	Confident	167 Å²	167	56.9 Å²	56.9	73%	0.726	29%	0.286	S	S	*	.	H	α-helix	trans	-62	-37.4	-179.4	-69.8	-175.1	179	-178.5	0	112.1	N258 H259	K255-N258 PolarHBondContact O-N 3.17Å; K255-H259 VanDerWaalsContact O-CB 3.28Å; K255-H259 WeakPolarHBondContact O-CB 3.43Å; K255-H259 PolarHBondContact O-N 3.16Å
256	D	79.3	Confident	83.5	Confident	132 Å²	132	60.7 Å²	60.7	71%	0.706	30%	0.297	S	S	*	.	H	α-helix	trans	-68.9	-41.8	-179.2	-68.6	-28.7	0	0	0	110.4	D254 L260	D254-D256 VanDerWaalsContact C-N 3.3Å; D254-D256 PolarHBondContact O-N 3.17Å; D254-D256 WeakPolarHBondContact OD1-CB 3.48Å; D254-D256 PolarHBondContact OD1-N 2.67Å; D256-L260 VanDerWaalsContact O-CB 3.23Å; D256-L260 WeakPolarHBondContact O-CB 3.36Å; D256-L260 PolarHBondContact O-N 2.67Å
257	K	81.6	Confident	83.4	Confident	42 Å²	42	65.5 Å²	65.5	18%	0.183	32%	0.32	C	S	.	.	H	α-helix	trans	-62.8	-43.6	172.5	176.1	179.1	165	176.3	0	112.1	E219 D254 L260 I261	E219-K257 VanDerWaalsContact CG-NZ 3.26Å; E219-K257 VanDerWaalsContact OE1-CD 3.29Å; E219-K257 WeakPolarHBondContact OE1-CD 3.16Å; E219-K257 WeakPolarHBondContact OE1-CE 3.31Å; E219-K257 IonicContact OE1-NZ 3.03Å; E219-K257 PolarHBondContact OE1-NZ 2.82Å; E219-K257 IonicContact OE2-NZ 2.7Å; D254-K257 HydrophobicContact CB-CB 3.74Å; D254-K257 HydrophobicContact CB-CD 4.43Å; D254-K257 VanDerWaalsContact CG-CB 3.4Å; D254-K257 PolarHBondContact O-N 2.74Å; D254-K257 PolarHBondContact OD1-N 2.92Å; K257-L260 WeakPolarHBondContact O-CB 3.48Å; K257-L260 PolarHBondContact O-N 2.93Å; K257-I261 HydrophobicContact CG-CD1 3.96Å; K257-I261 VanDerWaalsContact O-CG1 3.3Å; K257-I261 WeakPolarHBondContact O-CG1 3.29Å; K257-I261 PolarHBondContact O-N 2.86Å
258	N	81.9	Confident	83	Confident	7 Å²	7	62.9 Å²	62.9	4%	0.037	31%	0.305	C	S	.	.	H	α-helix	trans	-63.8	-46.8	179.8	-67.3	-16	0	0	0	110.9	I250 P251 N252 D254 K255 L260 I261 E262	I250-N258 VanDerWaalsContact CD1-OD1 3.23Å; I250-N258 WeakPolarHBondContact CD1-OD1 3.29Å; P251-N258 PolarHBondContact O-ND2 2.88Å; P251-N258 PolarHBondContact O-OD1 2.97Å; N252-N258 PolarHBondContact OD1-ND2 2.89Å; D254-N258 WeakPolarHBondContact O-CB 3.29Å; D254-N258 PolarHBondContact O-N 3.39Å; D254-N258 PolarHBondContact O-ND2 3.26Å; D254-N258 PolarHBondContact O-OD1 3.4Å; K255-N258 PolarHBondContact O-N 3.17Å; N258-L260 VanDerWaalsContact C-N 3.31Å; N258-L260 PolarHBondContact O-N 2.79Å; N258-I261 PolarHBondContact O-N 3.38Å; N258-E262 WeakPolarHBondContact O-CB 3.39Å; N258-E262 PolarHBondContact O-N 2.97Å
259	H	81.2	Confident	82.3	Confident	113 Å²	113	65.6 Å²	65.6	52%	0.523	32%	0.32	S	S	.	.	H	α-helix	trans	-62.9	-36	174.3	-178.3	-111	0	0	0	112.2	K255 N263	K255-H259 VanDerWaalsContact O-CB 3.28Å; K255-H259 WeakPolarHBondContact O-CB 3.43Å; K255-H259 PolarHBondContact O-N 3.16Å; H259-N263 PolarHBondContact CD2-ND2 2.67Å; H259-N263 PolarHBondContact CE1-ND2 2.86Å; H259-N263 PolarHBondContact ND1-ND2 3.19Å; H259-N263 PolarHBondContact NE2-ND2 3.21Å; H259-N263 VanDerWaalsContact O-CB 3.27Å; H259-N263 WeakPolarHBondContact O-CB 3.16Å; H259-N263 VanDerWaalsContact O-CG 3.25Å; H259-N263 PolarHBondContact O-N 2.85Å; H259-N263 PolarHBondContact O-ND2 2.87Å
260	L	82.6	Confident	81.6	Confident	86 Å²	86	68.6 Å²	68.6	45%	0.45	34%	0.341	S	S	.	.	H	α-helix	trans	-63.2	-47.9	173.6	178.3	66.4	0	0	0	111.3	D256 K257 N258 N263 E264	D256-L260 VanDerWaalsContact O-CB 3.23Å; D256-L260 WeakPolarHBondContact O-CB 3.36Å; D256-L260 PolarHBondContact O-N 2.67Å; K257-L260 WeakPolarHBondContact O-CB 3.48Å; K257-L260 PolarHBondContact O-N 2.93Å; N258-L260 VanDerWaalsContact C-N 3.31Å; N258-L260 PolarHBondContact O-N 2.79Å; L260-N263 PolarHBondContact O-N 2.73Å; L260-E264 HydrophobicContact CD1-CG 4.35Å; L260-E264 HydrophobicContact CG-CG 4.49Å; L260-E264 WeakPolarHBondContact O-CB 3.39Å; L260-E264 VanDerWaalsContact O-CG 3.23Å; L260-E264 WeakPolarHBondContact O-CG 3.24Å; L260-E264 PolarHBondContact O-N 3.31Å
261	I	82.7	Confident	80.1	Confident	0 Å²	0	71.6 Å²	71.6	0%	0	36%	0.362	C	S	.	.	H	α-helix	trans	-63.3	-43.4	178.7	-63.6	162.1	0	0	0	110.4	L50 L57 L243 I250 K257 N258 E264 L265	L50-I261 HydrophobicContact CD2-CG2 4.27Å; L57-I261 HydrophobicContact CD2-CD1 3.61Å; L57-I261 HydrophobicContact CD2-CG1 4.13Å; L243-I261 HydrophobicContact CD1-CB 3.97Å; L243-I261 HydrophobicContact CD1-CG2 3.44Å; L243-I261 VanDerWaalsContact CD1-CG2 3.44Å; I250-I261 HydrophobicContact CD1-CD1 3.79Å; K257-I261 HydrophobicContact CG-CD1 3.96Å; K257-I261 VanDerWaalsContact O-CG1 3.3Å; K257-I261 WeakPolarHBondContact O-CG1 3.29Å; K257-I261 PolarHBondContact O-N 2.86Å; N258-I261 PolarHBondContact O-N 3.38Å; I261-E264 PolarHBondContact O-N 3.2Å; I261-L265 HydrophobicContact CG2-CD1 4.03Å; I261-L265 WeakPolarHBondContact O-CB 3.34Å; I261-L265 VanDerWaalsContact O-CG 3.27Å; I261-L265 WeakPolarHBondContact O-CG 3.41Å; I261-L265 PolarHBondContact O-N 3.19Å
262	E	82	Confident	78.2	Confident	73 Å²	73	76.6 Å²	76.6	34%	0.341	39%	0.387	S	S	.	.	H	α-helix	trans	-64.7	-43.1	178.7	-168.3	168.1	-159.1	0	0	112.2	L243 N258 L265 R266	L243-E262 HydrophobicContact CD2-CB 4.35Å; N258-E262 WeakPolarHBondContact O-CB 3.39Å; N258-E262 PolarHBondContact O-N 2.97Å; E262-L265 PolarHBondContact O-N 3.04Å; E262-R266 WeakPolarHBondContact O-CB 3.22Å; E262-R266 PolarHBondContact O-N 3.25Å
263	N	81.9	Confident	75.7	Confident	52 Å²	52	78.6 Å²	78.6	28%	0.278	40%	0.401	S	S	.	.	H	α-helix	trans	-67	-39.5	174.6	-76.2	-40.3	0	0	0	112.7	H259 L260 L265 R266 I267	H259-N263 PolarHBondContact CD2-ND2 2.67Å; H259-N263 PolarHBondContact CE1-ND2 2.86Å; H259-N263 PolarHBondContact ND1-ND2 3.19Å; H259-N263 PolarHBondContact NE2-ND2 3.21Å; H259-N263 VanDerWaalsContact O-CB 3.27Å; H259-N263 WeakPolarHBondContact O-CB 3.16Å; H259-N263 VanDerWaalsContact O-CG 3.25Å; H259-N263 PolarHBondContact O-N 2.85Å; H259-N263 PolarHBondContact O-ND2 2.87Å; L260-N263 PolarHBondContact O-N 2.73Å; N263-L265 VanDerWaalsContact C-N 3.31Å; N263-L265 PolarHBondContact O-N 2.61Å; N263-R266 PolarHBondContact O-N 3.04Å; N263-I267 WeakPolarHBondContact O-CB 3.3Å; N263-I267 WeakPolarHBondContact O-CD1 3.45Å; N263-I267 WeakPolarHBondContact O-CG1 3.03Å; N263-I267 PolarHBondContact O-N 2.86Å
264	E	81.2	Confident	73.3	Confident	38 Å²	38	79.6 Å²	79.6	18%	0.178	41%	0.407	C	S	.	.	H	α-helix	trans	-56.5	-49.5	172.5	-79.5	177.3	-179.4	0	0	109.9	Y48 R59 L260 I261 R266 I267 Q268	Y48-E264 PolarHBondContact OH-OE2 2.75Å; R59-E264 IonicContact CZ-OE1 3.62Å; R59-E264 IonicContact CZ-OE2 3.64Å; R59-E264 IonicContact NE-OE1 2.64Å; R59-E264 PolarHBondContact NE-OE1 3.17Å; R59-E264 IonicContact NE-OE2 3.18Å; R59-E264 PolarHBondContact NE-OE2 3.31Å; R59-E264 VanDerWaalsContact NH2-CD 3.34Å; R59-E264 IonicContact NH2-OE1 3.62Å; R59-E264 PolarHBondContact NH2-OE1 3.36Å; R59-E264 IonicContact NH2-OE2 2.73Å; R59-E264 PolarHBondContact NH2-OE2 3.15Å; L260-E264 HydrophobicContact CD1-CG 4.35Å; L260-E264 HydrophobicContact CG-CG 4.49Å; L260-E264 WeakPolarHBondContact O-CB 3.39Å; L260-E264 VanDerWaalsContact O-CG 3.23Å; L260-E264 WeakPolarHBondContact O-CG 3.24Å; L260-E264 PolarHBondContact O-N 3.31Å; I261-E264 PolarHBondContact O-N 3.2Å; E264-R266 PolarHBondContact O-N 2.95Å; E264-I267 PolarHBondContact O-N 3.45Å; E264-Q268 VanDerWaalsContact O-CB 3.25Å; E264-Q268 WeakPolarHBondContact O-CB 3.5Å; E264-Q268 WeakPolarHBondContact O-CG 3.46Å; E264-Q268 PolarHBondContact O-N 3.41Å
265	L	82.3	Confident	70.9	Confident	1 Å²	1	81.5 Å²	81.5	1%	0.005	42%	0.421	C	S	.	.	H	α-helix	trans	-60.8	-43.9	177.7	-71.8	168.6	0	0	0	112.2	V42 F43 L50 L243 E245 I261 E262 N263 Q268 N269	V42-L265 HydrophobicContact CG1-CD1 4.2Å; V42-L265 HydrophobicContact CG1-CD2 3.6Å; F43-L265 HydrophobicContact CB-CD2 3.98Å; L50-L265 HydrophobicContact CD2-CD2 3.89Å; L50-L265 HydrophobicContact CD2-CG 4.26Å; L243-L265 HydrophobicContact CD1-CD1 4.43Å; E245-L265 HydrophobicContact CB-CB 3.69Å; E245-L265 HydrophobicContact CB-CD1 4.38Å; I261-L265 HydrophobicContact CG2-CD1 4.03Å; I261-L265 WeakPolarHBondContact O-CB 3.34Å; I261-L265 VanDerWaalsContact O-CG 3.27Å; I261-L265 WeakPolarHBondContact O-CG 3.41Å; I261-L265 PolarHBondContact O-N 3.19Å; E262-L265 PolarHBondContact O-N 3.04Å; N263-L265 VanDerWaalsContact C-N 3.31Å; N263-L265 PolarHBondContact O-N 2.61Å; L265-Q268 PolarHBondContact O-N 3.24Å; L265-N269 WeakPolarHBondContact O-CB 3.18Å; L265-N269 VanDerWaalsContact O-CG 3.3Å; L265-N269 PolarHBondContact O-N 2.68Å
266	R	82	Confident	68.3	Low	166 Å²	166	82.3 Å²	82.3	63%	0.626	43%	0.432	S	S	*	.	H	α-helix	trans	-63.5	-44.7	178.3	-174	178.4	177.7	166.2	1.7	113	E262 N263 E264 Q268 S270	E262-R266 WeakPolarHBondContact O-CB 3.22Å; E262-R266 PolarHBondContact O-N 3.25Å; N263-R266 PolarHBondContact O-N 3.04Å; E264-R266 PolarHBondContact O-N 2.95Å; R266-Q268 VanDerWaalsContact C-N 3.3Å; R266-S270 WeakPolarHBondContact O-CB 3.29Å; R266-S270 PolarHBondContact O-N 2.89Å; R266-S270 PolarHBondContact O-OG 3.27Å
267	I	80.6	Confident	65.9	Low	104 Å²	104	80.6 Å²	80.6	53%	0.533	43%	0.431	S	S	.	.	H	α-helix	trans	-64.8	-39.5	178.3	-69.4	165.1	0	0	0	110.4	N263 E264 S270 S271	N263-I267 WeakPolarHBondContact O-CB 3.3Å; N263-I267 WeakPolarHBondContact O-CD1 3.45Å; N263-I267 WeakPolarHBondContact O-CG1 3.03Å; N263-I267 PolarHBondContact O-N 2.86Å; E264-I267 PolarHBondContact O-N 3.45Å; I267-S270 PolarHBondContact O-N 2.98Å; I267-S270 PolarHBondContact O-OG 3.23Å; I267-S271 WeakPolarHBondContact O-CB 3.41Å; I267-S271 PolarHBondContact O-N 3.21Å; I267-S271 PolarHBondContact O-OG 3.07Å
268	Q	78.7	Confident	63.5	Low	33 Å²	33	84.5 Å²	84.5	15%	0.154	46%	0.461	C	S	.	.	H	α-helix	trans	-71.7	-42	-178.1	-70.2	-58.2	-28	0	0	111.3	F43 N45 Y48 E264 L265 R266 S270 S271	F43-Q268 HydrophobicContact CD1-CB 3.87Å; F43-Q268 HydrophobicContact CD1-CG 4.2Å; F43-Q268 HydrophobicContact CD2-CB 3.86Å; F43-Q268 HydrophobicContact CE1-CB 3.56Å; F43-Q268 HydrophobicContact CE1-CG 3.96Å; F43-Q268 HydrophobicContact CE2-CB 3.57Å; F43-Q268 HydrophobicContact CG-CB 4.01Å; F43-Q268 HydrophobicContact CZ-CB 3.44Å; F43-Q268 VanDerWaalsContact CZ-CB 3.44Å; F43-Q268 HydrophobicContact CZ-CG 4.3Å; N45-Q268 PolarHBondContact ND2-OE1 3.22Å; Y48-Q268 HydrophobicContact CD1-CG 3.92Å; Y48-Q268 HydrophobicContact CE1-CG 4.28Å; Y48-Q268 HydrophobicContact CG-CG 4.46Å; E264-Q268 VanDerWaalsContact O-CB 3.25Å; E264-Q268 WeakPolarHBondContact O-CB 3.5Å; E264-Q268 WeakPolarHBondContact O-CG 3.46Å; E264-Q268 PolarHBondContact O-N 3.41Å; L265-Q268 PolarHBondContact O-N 3.24Å; R266-Q268 VanDerWaalsContact C-N 3.3Å; Q268-S270 VanDerWaalsContact C-N 3.31Å; Q268-S270 PolarHBondContact O-N 3.05Å; Q268-S271 PolarHBondContact O-N 2.93Å; Q268-S271 PolarHBondContact O-OG 2.98Å
269	N	74.9	Confident	60.9	Low	60 Å²	60	89.9 Å²	89.9	32%	0.321	50%	0.498	S	S	.	.	H	α-helix	trans	-65.4	-30.7	172.2	-72.6	-10.2	0	0	0	112.7	F43 E245 L265	F43-N269 WeakPolarHBondContact CD2-OD1 3.06Å; E245-N269 PolarHBondContact OE2-ND2 3.15Å; L265-N269 WeakPolarHBondContact O-CB 3.18Å; L265-N269 VanDerWaalsContact O-CG 3.3Å; L265-N269 PolarHBondContact O-N 2.68Å
270	S	73.5	Confident	58.3	Low	64 Å²	64	90.7 Å²	90.7	45%	0.448	51%	0.511	S	S	.	.	H	α-helix	trans	-82.7	-25.2	177.4	73.4	0	0	0	0	113.8	R266 I267 Q268 D272 V273	R266-S270 WeakPolarHBondContact O-CB 3.29Å; R266-S270 PolarHBondContact O-N 2.89Å; R266-S270 PolarHBondContact O-OG 3.27Å; I267-S270 PolarHBondContact O-N 2.98Å; I267-S270 PolarHBondContact O-OG 3.23Å; Q268-S270 VanDerWaalsContact C-N 3.31Å; Q268-S270 PolarHBondContact O-N 3.05Å; S270-D272 PolarHBondContact O-N 3.07Å; S270-V273 CarbonylContact O-C 3.44Å; S270-V273 WeakPolarHBondContact O-CA 3.18Å; S270-V273 WeakPolarHBondContact O-CB 3.33Å; S270-V273 PolarHBondContact O-N 2.82Å; S270-V273 VanDerWaalsContact O-O 3.1Å
271	S	59.7	Low	55.4	Low	65 Å²	65	92.1 Å²	92.1	46%	0.455	52%	0.524	S	S	.	.	H	α-helix	trans	-66.6	-15.7	178.4	67	0	0	0	0	114.1	I267 Q268 V273	I267-S271 WeakPolarHBondContact O-CB 3.41Å; I267-S271 PolarHBondContact O-N 3.21Å; I267-S271 PolarHBondContact O-OG 3.07Å; Q268-S271 PolarHBondContact O-N 2.93Å; Q268-S271 PolarHBondContact O-OG 2.98Å; S271-V273 VanDerWaalsContact C-N 3.27Å
272	D	49.8	Very low	52.8	Low	126 Å²	126	99.2 Å²	99.2	67%	0.674	56%	0.561	S	S	*	*	T	Hydrogen-bonded Turn	trans	-77.7	-10.5	167.8	-72	-28.9	0	0	0	112.9	S270	S270-D272 PolarHBondContact O-N 3.07Å
273	V	35.4	Very low	50.1	Low	106 Å²	106	103.7 Å²	103.7	64%	0.642	58%	0.579	S	S	*	*	S	Bend	trans	-106.9	102.1	174.2	-172.3	0	0	0	0	109.2	S270 S271 V275	S270-V273 CarbonylContact O-C 3.44Å; S270-V273 WeakPolarHBondContact O-CA 3.18Å; S270-V273 WeakPolarHBondContact O-CB 3.33Å; S270-V273 PolarHBondContact O-N 2.82Å; S270-V273 VanDerWaalsContact O-O 3.1Å; S271-V273 VanDerWaalsContact C-N 3.27Å; V273-V275 PolarHBondContact O-N 2.9Å
274	N	29.3	Very low	47.3	Very low	162 Å²	162	110 Å²	110	87%	0.866	61%	0.606	S	S	*	*			trans	-45	94.7	173.3	-97.6	-20.6	0	0	0	113.2
275	V	29.2	Very low	44.7	Very low	115 Å²	115	115 Å²	115	70%	0.697	63%	0.634	S	S	*	*			trans	-148.7	104.7	146.1	-172.4	0	0	0	0	108.2	V273 S277	V273-V275 PolarHBondContact O-N 2.9Å; V275-S277 PolarHBondContact O-N 3.43Å
276	L	25.4	Very low	41.9	Very low	183 Å²	183	123.9 Å²	123.9	96%	0.958	68%	0.675	S	S	*	*			trans	-52.7	110.2	163.4	-84.3	140.9	0	0	0	109
277	S	28.9	Very low	39.2	Very low	97 Å²	97	121.9 Å²	121.9	68%	0.678	68%	0.682	S	S	*	*			trans	-133.5	131	161.6	-71.1	0	0	0	0	109	V275	V275-S277 PolarHBondContact O-N 3.43Å
278	P	31.5	Very low	36.5	Very low	124 Å²	124	122.9 Å²	122.9	81%	0.805	69%	0.693	S	S	*	*			trans	-73.8	141.6	-164.4	-10.8	26.9	0	0	0	112.4	T280	P278-T280 PolarHBondContact O-N 2.95Å
279	S	26.3	Very low	33.9	Very low	119 Å²	119	126.3 Å²	126.3	83%	0.832	72%	0.721	S	S	*	*			trans	-48.8	119.2	176.7	-54.2	0	0	0	0	112.5	T281	S279-T281 PolarHBondContact O-N 2.89Å
280	T	25.8	Very low	31.5	Very low	130 Å²	130	131.2 Å²	131.2	80%	0.798	75%	0.747	S	S	*	*			trans	-78.6	110.6	165.9	-52.3	0	0	0	0	108.8	P278 I282	P278-T280 PolarHBondContact O-N 2.95Å; T280-I282 PolarHBondContact O-N 3.05Å
281	T	23.4	Very low	29	Very low	117 Å²	117	135.9 Å²	135.9	72%	0.718	76%	0.764	S	S	*	*			trans	-65.7	108.4	170	-56.1	0	0	0	0	109.5	S279 K283	S279-T281 PolarHBondContact O-N 2.89Å; T281-K283 HydrophobicContact CG2-CG 4.45Å; T281-K283 PolarHBondContact O-N 3.13Å
282	I	28.3	Very low	27.4	Very low	149 Å²	149	140 Å²	140	76%	0.764	78%	0.779	S	S	*	*			trans	-74.8	103.4	169.1	-59.9	173.8	0	0	0	107.2	T280	T280-I282 PolarHBondContact O-N 3.05Å
283	K	23.5	Very low	26.2	Very low	167 Å²	167	141 Å²	141	73%	0.726	78%	0.78	S	S	*	*			trans	-79.2	122.6	164.3	-75.1	-173.8	175.7	-179.2	0	108	T281 N285	T281-K283 HydrophobicContact CG2-CG 4.45Å; T281-K283 PolarHBondContact O-N 3.13Å; K283-N285 PolarHBondContact O-N 3.18Å; K283-N285 VanDerWaalsContact O-N 3.13Å
284	H	24.3	Very low	25.5	Very low	185 Å²	185	143.2 Å²	143.2	86%	0.856	79%	0.786	S	S	*	*			trans	-61.9	107.2	167.1	-76.4	-78.5	0	0	0	109
285	N	25.5	Very low	25.3	Very low	141 Å²	141	143.3 Å²	143.3	75%	0.754	78%	0.781	S	S	*	*			trans	-105.7	107.4	165.1	-65.5	6.6	0	0	0	106.5	K283 T287	K283-N285 PolarHBondContact O-N 3.18Å; K283-N285 VanDerWaalsContact O-N 3.13Å; N285-T287 PolarHBondContact O-N 3.03Å
286	E	23.6	Very low	24.8	Very low	188 Å²	188	143.7 Å²	143.7	88%	0.879	78%	0.784	S	S	*	*			trans	-55.7	116.6	161.2	-65.2	173.3	150.8	0	0	108.3
287	T	25.4	Very low	24.7	Very low	124 Å²	124	141 Å²	141	76%	0.761	78%	0.775	S	S	*	*			trans	-167.3	110.8	147.4	-63.9	0	0	0	0	109	N285	N285-T287 PolarHBondContact O-N 3.03Å
288	T	24.8	Very low	24.6	Very low	126 Å²	126	145.1 Å²	145.1	77%	0.773	78%	0.783	S	S	*	*			trans	45.1	117.4	140.9	-41.6	0	0	0	0	119.6	N290	T288-N290 PolarHBondContact O-N 2.82Å
289	S	22.9	Very low	24	Very low	105 Å²	105	148.7 Å²	148.7	73%	0.734	79%	0.786	S	S	*	*			trans	-10	117.2	149.1	-59.7	0	0	0	0	115.5
290	N	25.2	Very low	23.8	Very low	162 Å²	162	150.3 Å²	150.3	87%	0.866	79%	0.785	S	S	*	*			trans	-149.5	111.7	132.9	-91	-25	0	0	0	108.7	T288 I292	T288-N290 PolarHBondContact O-N 2.82Å; N290-I292 PolarHBondContact O-N 3.37Å
291	M	21.7	Very low	23.7	Very low	163 Å²	163	151.7 Å²	151.7	80%	0.803	79%	0.787	S	S	*	*			trans	-48.4	124	160.9	-109.3	167	79	0	0	109.6
292	I	24.3	Very low	23.6	Very low	150 Å²	150	149.8 Å²	149.8	77%	0.769	79%	0.791	S	S	*	*			trans	-127.8	97	145.8	-60.9	-179.8	0	0	0	105.6	N290 I294	N290-I292 PolarHBondContact O-N 3.37Å; I292-I294 HydrophobicContact CG2-CG1 4.36Å; I292-I294 PolarHBondContact O-N 3.34Å
293	E	24.6	Very low	23.1	Very low	149 Å²	149	149.5 Å²	149.5	70%	0.696	80%	0.796	S	S	*	*			trans	-64.7	114.3	162.9	-171.5	167.1	-160.2	0	0	107.2	E295	E293-E295 PolarHBondContact O-N 3.39Å
294	I	22.5	Very low	23.2	Very low	152 Å²	152	146.5 Å²	146.5	78%	0.779	80%	0.797	S	S	*	*			trans	-87	90.2	173.6	-62.6	175.6	0	0	0	106	I292	I292-I294 HydrophobicContact CG2-CG1 4.36Å; I292-I294 PolarHBondContact O-N 3.34Å
295	E	24	Very low	23	Very low	163 Å²	163	146.2 Å²	146.2	76%	0.762	80%	0.796	S	S	*	*			trans	-77.8	125.9	171.8	-155.5	174.3	-161.1	0	0	109.3	E293	E293-E295 PolarHBondContact O-N 3.39Å
296	V	20	Very low	22.9	Very low	124 Å²	124	147.9 Å²	147.9	75%	0.752	80%	0.799	S	S	*	*			trans	-83.9	109.1	177.5	173	0	0	0	0	108
297	V	23	Very low	22.8	Very low	127 Å²	127	144.4 Å²	144.4	77%	0.77	79%	0.791	S	S	*	*			trans	-138.3	108.1	157.7	-176.3	0	0	0	0	109.2
298	E	25.2	Very low	22.5	Very low	182 Å²	182	143.8 Å²	143.8	85%	0.85	79%	0.786	S	S	*	*			trans	-65.4	129.2	170.3	-79.4	-178.5	139.7	0	0	111	L300	E298-L300 PolarHBondContact O-N 3.14Å
299	K	20.6	Very low	22.3	Very low	199 Å²	199	145.8 Å²	145.8	87%	0.865	79%	0.787	S	S	*	*			trans	-47.8	122.5	168.5	-77.9	166.6	165.3	172.7	0	112.6
300	L	21.4	Very low	22.2	Very low	153 Å²	153	149.1 Å²	149.1	80%	0.801	79%	0.791	S	S	*	*			trans	-142.9	118.8	142.5	-77.9	-179.7	0	0	0	111.4	E298	E298-L300 PolarHBondContact O-N 3.14Å
301	N	22.4	Very low	21.9	Very low	159 Å²	159	145.5 Å²	145.5	85%	0.85	78%	0.778	S	S	*	*			trans	72.3	123.6	150.6	-59.5	-15	0	0	0	120.5
302	G	21.9	Very low	21.9	Very low	78 Å²	78	144.8 Å²	144.8	80%	0.804	78%	0.778	S	S	*	*			trans	134	84.6	144.6	0	0	0	0	0	116
303	T	19	Very low	21.8	Very low	142 Å²	142	142.6 Å²	142.6	87%	0.871	78%	0.776	S	S	*	*			trans	-48	132.4	166.1	-42.9	0	0	0	0	115.2
304	S	24.5	Very low	21.8	Very low	105 Å²	105	140.1 Å²	140.1	73%	0.734	78%	0.775	S	S	*	*			trans	167.8	100.6	138.7	55.8	0	0	0	0	107.4
305	E	19.5	Very low	21.7	Very low	179 Å²	179	140.4 Å²	140.4	84%	0.836	78%	0.778	S	S	*	*				49.2	102.9	97.5	-76.7	-174	170	0	0	113.5
306	E	23.4	Very low	21.8	Very low	175 Å²	175	138.8 Å²	138.8	82%	0.818	78%	0.779	S	S	*	*				161.6	127.8	111.6	-99.8	-173.5	172.9	0	0	113.4
307	T	21.4	Very low	21.9	Very low	115 Å²	115	140.8 Å²	140.8	71%	0.706	79%	0.785	S	S	*	*			trans	47.8	114.8	142.4	29.9	0	0	0	0	121.2
308	V	20	Very low	22	Very low	111 Å²	111	140 Å²	140	67%	0.673	78%	0.78	S	S	*	*				102.3	134.7	68.8	159.2	0	0	0	0	113
309	Q	21.4	Very low	21.8	Very low	169 Å²	169	139.7 Å²	139.7	79%	0.79	78%	0.783	S	S	*	*			trans	72.9	112.3	159.5	-80.7	159.4	6.1	0	0	118.7
310	H	19.8	Very low	22	Very low	175 Å²	175	134.7 Å²	134.7	81%	0.81	77%	0.774	S	S	*	*				74.1	113.8	74.3	-98.2	-61.3	0	0	0	115.3
311	S	20.2	Very low	22.2	Very low	85 Å²	85	132.7 Å²	132.7	59%	0.594	77%	0.77	S	S	*	*			trans	88.6	128.6	131.5	-57	0	0	0	0	119.9
312	N	21.7	Very low	22.2	Very low	149 Å²	149	131 Å²	131	80%	0.797	77%	0.768	S	S	*	*			trans	94.3	117.1	140.4	-68.9	-8.2	0	0	0	119.1
313	S	20.4	Very low	22.2	Very low	104 Å²	104	133.5 Å²	133.5	73%	0.727	77%	0.767	S	S	*	*				60.5	115.1	121.5	-167.4	0	0	0	0	116.3
314	S	25.1	Very low	22.3	Very low	97 Å²	97	132.5 Å²	132.5	68%	0.678	76%	0.761	S	S	*	*				163.8	135.3	99.5	-59.4	0	0	0	0	109.3
315	D	21.7	Very low	22.3	Very low	158 Å²	158	133.8 Å²	133.8	85%	0.845	76%	0.758	S	S	*	*			trans	-18.2	122.5	164.7	-55.4	-54.8	0	0	0	117.5
316	V	25.2	Very low	22.5	Very low	129 Å²	129	133.8 Å²	133.8	78%	0.782	76%	0.756	S	S	*	*			trans	-141.7	104.5	143.9	-176.1	0	0	0	0	109.2	V318	V316-V318 HydrophobicContact CG1-CG2 4.03Å; V316-V318 PolarHBondContact O-N 2.78Å
317	N	21.3	Very low	22.6	Very low	165 Å²	165	134.5 Å²	134.5	88%	0.882	75%	0.752	S	S	*	*			trans	-60.8	116.7	158.2	-93.4	-23.3	0	0	0	109.7
318	V	25.3	Very low	23	Very low	110 Å²	110	133.8 Å²	133.8	67%	0.667	74%	0.744	S	S	*	*			trans	-138.5	99.9	149	-177	0	0	0	0	108.7	V316 S320	V316-V318 HydrophobicContact CG1-CG2 4.03Å; V316-V318 PolarHBondContact O-N 2.78Å; V318-S320 PolarHBondContact O-N 2.79Å; V318-S320 VanDerWaalsContact O-N 3.12Å
319	L	22	Very low	23.7	Very low	176 Å²	176	137 Å²	137	92%	0.921	75%	0.752	S	S	*	*			trans	-64.3	101.3	165.4	-158.3	83.6	0	0	0	107.9
320	S	25.1	Very low	24.3	Very low	94 Å²	94	134.1 Å²	134.1	66%	0.657	75%	0.746	S	S	*	*	P	Polyproline II helix	trans	-97	124.9	170.1	-53.6	0	0	0	0	108.8	V318	V318-S320 PolarHBondContact O-N 2.79Å; V318-S320 VanDerWaalsContact O-N 3.12Å
321	P	24.4	Very low	24.9	Very low	112 Å²	112	128.4 Å²	128.4	73%	0.727	72%	0.724	S	S	*	*	P	Polyproline II helix	trans	-71.5	161.7	-179.4	28.7	-32.2	0	0	0	112	T323	P321-T323 PolarHBondContact O-N 2.83Å
322	P	22.6	Very low	25.7	Very low	124 Å²	124	128.3 Å²	128.3	81%	0.805	72%	0.723	S	S	*	*	P	Polyproline II helix	trans	-67.2	123.6	-165.9	-14	27.7	0	0	0	112.3	T324	P322-T324 PolarHBondContact O-N 2.85Å
323	T	22.6	Very low	26.4	Very low	129 Å²	129	127.8 Å²	127.8	79%	0.791	71%	0.713	S	S	*	*	P	Polyproline II helix	trans	-61	116.4	167.5	-51.6	0	0	0	0	108.9	P321 I325	P321-T323 PolarHBondContact O-N 2.83Å; T323-I325 PolarHBondContact O-N 2.78Å; T323-I325 VanDerWaalsContact O-N 3.12Å
324	T	21.7	Very low	27	Very low	121 Å²	121	129.3 Å²	129.3	74%	0.742	71%	0.71	S	S	*	*			trans	-64.3	108.4	170.1	-52.2	0	0	0	0	108.4	P322 K326	P322-T324 PolarHBondContact O-N 2.85Å; T324-K326 PolarHBondContact O-N 2.79Å
325	I	24.6	Very low	27.6	Very low	132 Å²	132	129.2 Å²	129.2	68%	0.677	70%	0.702	S	S	*	*			trans	-68.9	98.4	169.1	-59.7	173.1	0	0	0	106.5	T323 Y327	T323-I325 PolarHBondContact O-N 2.78Å; T323-I325 VanDerWaalsContact O-N 3.12Å; I325-Y327 HydrophobicContact CG2-CD2 4.41Å; I325-Y327 HydrophobicContact CG2-CE2 4.31Å; I325-Y327 PolarHBondContact O-N 3.14Å
326	K	23.6	Very low	28.6	Very low	180 Å²	180	127.9 Å²	127.9	78%	0.783	69%	0.69	S	S	*	*			trans	-71.7	104.4	164.5	-81.5	-176.8	175.7	-179.1	0	106.9	T324 N328	T324-K326 PolarHBondContact O-N 2.79Å; K326-N328 PolarHBondContact O-N 2.95Å
327	Y	25.7	Very low	29.3	Very low	190 Å²	190	126.3 Å²	126.3	75%	0.745	68%	0.677	S	S	*	*			trans	-58.9	109.1	162.7	-76.5	-88.9	0	0	0	107.8	I325	I325-Y327 HydrophobicContact CG2-CD2 4.41Å; I325-Y327 HydrophobicContact CG2-CE2 4.31Å; I325-Y327 PolarHBondContact O-N 3.14Å
328	N	28.8	Very low	30.5	Very low	99 Å²	99	124.2 Å²	124.2	53%	0.529	66%	0.662	S	S	.	*			trans	-73	134.7	170.1	38.4	5	0	0	0	108.8	K326 T330 T331	K326-N328 PolarHBondContact O-N 2.95Å; N328-T330 PolarHBondContact O-N 3.18Å; N328-T331 PolarHBondContact O-N 2.91Å; N328-T331 PolarHBondContact OD1-OG1 3.28Å
329	E	34.7	Very low	31.3	Very low	179 Å²	179	125.3 Å²	125.3	84%	0.836	66%	0.658	S	S	*	*	H	α-helix	trans	-51.7	-22.6	-176.7	-71	172.7	157.2	0	0	113.6	T331 S332 K333	E329-T331 VanDerWaalsContact C-N 3.31Å; E329-T331 PolarHBondContact O-N 2.66Å; E329-S332 PolarHBondContact O-N 3.23Å; E329-K333 PolarHBondContact O-N 2.57Å
330	T	34.6	Very low	32.1	Very low	109 Å²	109	121.9 Å²	121.9	67%	0.669	64%	0.637	S	S	*	*	H	α-helix	trans	-62.2	-34.3	175	-31.2	0	0	0	0	113.3	N328 M334	N328-T330 PolarHBondContact O-N 3.18Å; T330-M334 PolarHBondContact O-N 3.08Å
331	T	32	Very low	33	Very low	55 Å²	55	123 Å²	123	34%	0.337	64%	0.636	S	S	.	*	H	α-helix	trans	-72.6	-32.4	179.6	-50.3	0	0	0	0	111.4	N328 E329 I335	N328-T331 PolarHBondContact O-N 2.91Å; N328-T331 PolarHBondContact OD1-OG1 3.28Å; E329-T331 VanDerWaalsContact C-N 3.31Å; E329-T331 PolarHBondContact O-N 2.66Å; T331-I335 HydrophobicContact CG2-CD1 4.38Å; T331-I335 WeakPolarHBondContact O-CG1 3.46Å; T331-I335 PolarHBondContact O-N 3.13Å
332	S	36.3	Very low	34	Very low	82 Å²	82	122.1 Å²	122.1	57%	0.573	62%	0.624	S	S	*	*	H	α-helix	trans	-67.4	-40.3	177.3	-163.6	0	0	0	0	111.7	E329 I335 E336	E329-S332 PolarHBondContact O-N 3.23Å; S332-I335 PolarHBondContact O-N 3.39Å; S332-E336 PolarHBondContact O-N 2.82Å
333	K	37.4	Very low	34.6	Very low	138 Å²	138	119.9 Å²	119.9	60%	0.6	61%	0.605	S	S	*	*	H	α-helix	trans	-70.8	-35.4	-179.7	-155.2	175.7	-174.7	-179.2	0	112.5	E329 I335 E336 D337	E329-K333 PolarHBondContact O-N 2.57Å; K333-I335 VanDerWaalsContact C-N 3.34Å; K333-E336 PolarHBondContact O-N 2.83Å; K333-D337 PolarHBondContact O-N 2.96Å
334	M	32.2	Very low	35.2	Very low	136 Å²	136	117.4 Å²	117.4	67%	0.67	59%	0.587	S	S	*	*	H	α-helix	trans	-65.2	-37.9	177	-168.8	173	173.9	0	0	112.1	T330 E338	T330-M334 PolarHBondContact O-N 3.08Å; M334-E338 WeakPolarHBondContact O-CB 3.39Å; M334-E338 PolarHBondContact O-N 2.82Å; M334-E338 VanDerWaalsContact O-N 3.16Å
335	I	39	Very low	35.8	Very low	96 Å²	96	113.4 Å²	113.4	49%	0.492	57%	0.57	S	S	.	*	H	α-helix	trans	-68.9	-38.6	176.4	-66.2	168.2	0	0	0	111.1	T331 S332 K333 E338 F339	T331-I335 HydrophobicContact CG2-CD1 4.38Å; T331-I335 WeakPolarHBondContact O-CG1 3.46Å; T331-I335 PolarHBondContact O-N 3.13Å; S332-I335 PolarHBondContact O-N 3.39Å; K333-I335 VanDerWaalsContact C-N 3.34Å; I335-E338 PolarHBondContact O-N 2.84Å; I335-F339 HydrophobicContact CG2-CD2 4.44Å; I335-F339 WeakPolarHBondContact O-CB 3.39Å; I335-F339 PolarHBondContact O-N 3.15Å
336	E	41	Very low	36.5	Very low	130 Å²	130	111.7 Å²	111.7	61%	0.607	56%	0.561	S	S	*	*	H	α-helix	trans	-67.1	-44.5	179.9	-158.5	170.7	-164.3	0	0	111.8	S332 K333 E338 F339 E340	S332-E336 PolarHBondContact O-N 2.82Å; K333-E336 PolarHBondContact O-N 2.83Å; E336-E338 VanDerWaalsContact C-N 3.34Å; E336-E338 PolarHBondContact O-N 2.83Å; E336-F339 PolarHBondContact O-N 2.89Å; E336-E340 PolarHBondContact O-N 2.68Å
337	D	40	Very low	37	Very low	96 Å²	96	109.7 Å²	109.7	51%	0.513	55%	0.553	S	S	.	*	H	α-helix	trans	-66.3	-33.8	176.5	-73.4	-22.5	0	0	0	112.4	K333 N341	K333-D337 PolarHBondContact O-N 2.96Å; D337-N341 PolarHBondContact O-N 3.47Å; D337-N341 PolarHBondContact O-ND2 2.86Å
338	E	47.6	Very low	37.5	Very low	121 Å²	121	108.7 Å²	108.7	57%	0.565	55%	0.552	S	S	*	*	H	α-helix	trans	-71.2	-39.5	175.7	-165.9	168.3	-165.7	0	0	111.4	M334 I335 E336 N341 I342	M334-E338 WeakPolarHBondContact O-CB 3.39Å; M334-E338 PolarHBondContact O-N 2.82Å; M334-E338 VanDerWaalsContact O-N 3.16Å; I335-E338 PolarHBondContact O-N 2.84Å; E336-E338 VanDerWaalsContact C-N 3.34Å; E336-E338 PolarHBondContact O-N 2.83Å; E338-N341 PolarHBondContact O-N 2.74Å; E338-I342 WeakPolarHBondContact O-CG1 3.23Å; E338-I342 PolarHBondContact O-N 2.91Å; E338-I342 VanDerWaalsContact O-N 3.13Å
339	F	41.3	Very low	37.9	Very low	133 Å²	133	111 Å²	111	58%	0.583	56%	0.56	S	S	*	*	H	α-helix	trans	-66.2	-43.3	176.4	-118.6	-88.7	0	0	0	112.9	I335 E336 N341 I342 L343	I335-F339 HydrophobicContact CG2-CD2 4.44Å; I335-F339 WeakPolarHBondContact O-CB 3.39Å; I335-F339 PolarHBondContact O-N 3.15Å; E336-F339 PolarHBondContact O-N 2.89Å; F339-N341 VanDerWaalsContact C-N 3.3Å; F339-N341 PolarHBondContact O-N 2.81Å; F339-I342 PolarHBondContact O-N 2.81Å; F339-L343 WeakPolarHBondContact O-CG 3.5Å; F339-L343 PolarHBondContact O-N 3.26Å
340	E	39.6	Very low	37.9	Very low	103 Å²	103	105.9 Å²	105.9	48%	0.481	54%	0.541	S	S	.	.	H	α-helix	trans	-62.2	-36.5	175.1	-88.2	-70.7	161	0	0	112.1	E336 L343 N344	E336-E340 PolarHBondContact O-N 2.68Å; E340-L343 PolarHBondContact O-N 2.86Å; E340-N344 WeakPolarHBondContact O-CB 3.2Å; E340-N344 PolarHBondContact O-N 2.86Å; E340-N344 PolarHBondContact O-ND2 2.84Å; E340-N344 PolarHBondContact OE2-ND2 2.79Å
341	N	43.8	Very low	37.8	Very low	117 Å²	117	106.6 Å²	106.6	63%	0.626	55%	0.545	S	S	*	.	H	α-helix	trans	-68.1	-37.6	175.6	-81.9	-47.7	0	0	0	112.7	D337 E338 F339 G345	D337-N341 PolarHBondContact O-N 3.47Å; D337-N341 PolarHBondContact O-ND2 2.86Å; E338-N341 PolarHBondContact O-N 2.74Å; F339-N341 VanDerWaalsContact C-N 3.3Å; F339-N341 PolarHBondContact O-N 2.81Å; N341-G345 PolarHBondContact O-N 2.76Å
342	I	45.7	Very low	37.8	Very low	94 Å²	94	113.4 Å²	113.4	48%	0.482	57%	0.565	S	S	.	*	H	α-helix	trans	-64.7	-46.6	175	-67.3	166.8	0	0	0	110.1	E338 F339 N344 G345 I346	E338-I342 WeakPolarHBondContact O-CG1 3.23Å; E338-I342 PolarHBondContact O-N 2.91Å; E338-I342 VanDerWaalsContact O-N 3.13Å; F339-I342 PolarHBondContact O-N 2.81Å; I342-N344 PolarHBondContact O-N 3Å; I342-G345 PolarHBondContact O-N 2.86Å; I342-I346 HydrophobicContact CG2-CD1 3.95Å; I342-I346 WeakPolarHBondContact O-CG1 3.42Å; I342-I346 PolarHBondContact O-N 3.29Å
343	L	33.8	Very low	37.5	Very low	77 Å²	77	115.5 Å²	115.5	40%	0.403	57%	0.569	S	S	.	*	H	α-helix	trans	-60.2	-46.2	177.4	-73.4	171.3	0	0	0	111.7	F339 E340 G345 I346 F347	F339-L343 WeakPolarHBondContact O-CG 3.5Å; F339-L343 PolarHBondContact O-N 3.26Å; E340-L343 PolarHBondContact O-N 2.86Å; L343-G345 VanDerWaalsContact C-N 3.3Å; L343-G345 PolarHBondContact O-N 2.69Å; L343-I346 PolarHBondContact O-N 3.36Å; L343-F347 WeakPolarHBondContact O-CD2 3.5Å; L343-F347 PolarHBondContact O-N 3.21Å
344	N	36.6	Very low	37.4	Very low	77 Å²	77	113.4 Å²	113.4	41%	0.412	57%	0.572	S	S	.	*	H	α-helix	trans	-67.4	-28.8	178	-75.7	-53	0	0	0	113.2	E340 I342 K348	E340-N344 WeakPolarHBondContact O-CB 3.2Å; E340-N344 PolarHBondContact O-N 2.86Å; E340-N344 PolarHBondContact O-ND2 2.84Å; E340-N344 PolarHBondContact OE2-ND2 2.79Å; I342-N344 PolarHBondContact O-N 3Å; N344-K348 PolarHBondContact O-N 2.81Å
345	G	33.5	Very low	37.2	Very low	37 Å²	37	115 Å²	115	38%	0.381	58%	0.583	S	S	.	*	H	α-helix	trans	-64.5	-49.1	170.6	0	0	0	0	0	111.9	N341 I342 L343 F347 K348 E349	N341-G345 PolarHBondContact O-N 2.76Å; I342-G345 PolarHBondContact O-N 2.86Å; L343-G345 VanDerWaalsContact C-N 3.3Å; L343-G345 PolarHBondContact O-N 2.69Å; G345-F347 VanDerWaalsContact C-N 3.35Å; G345-F347 PolarHBondContact O-N 3.06Å; G345-K348 PolarHBondContact O-N 3.36Å; G345-E349 PolarHBondContact O-N 3.12Å
346	I	38.6	Very low	36.9	Very low	96 Å²	96	115.8 Å²	115.8	49%	0.492	59%	0.593	S	S	.	*	H	α-helix	trans	-60.1	-44.6	178.3	-65.8	166.1	0	0	0	110.7	I342 L343 K348 E349 T350	I342-I346 HydrophobicContact CG2-CD1 3.95Å; I342-I346 WeakPolarHBondContact O-CG1 3.42Å; I342-I346 PolarHBondContact O-N 3.29Å; L343-I346 PolarHBondContact O-N 3.36Å; I346-K348 VanDerWaalsContact C-N 3.33Å; I346-K348 PolarHBondContact O-N 2.96Å; I346-E349 PolarHBondContact O-N 2.76Å; I346-T350 PolarHBondContact O-N 2.85Å; I346-T350 VanDerWaalsContact O-N 3.12Å; I346-T350 PolarHBondContact O-OG1 2.88Å
347	F	35.5	Very low	36.5	Very low	139 Å²	139	114.3 Å²	114.3	61%	0.61	59%	0.592	S	S	*	*	H	α-helix	trans	-62.2	-34.7	178.3	-96.3	-79.5	0	0	0	113.5	L343 G345 V351	L343-F347 WeakPolarHBondContact O-CD2 3.5Å; L343-F347 PolarHBondContact O-N 3.21Å; G345-F347 VanDerWaalsContact C-N 3.35Å; G345-F347 PolarHBondContact O-N 3.06Å; F347-V351 VanDerWaalsContact O-CG2 3.31Å; F347-V351 WeakPolarHBondContact O-CG2 3.34Å
348	K	36.4	Very low	36.2	Very low	168 Å²	168	113.2 Å²	113.2	73%	0.73	60%	0.597	S	S	*	*	H	α-helix	trans	-79.3	-29.2	-179.5	-78.4	-179.8	-178.6	172.3	0	113.5	N344 G345 I346	N344-K348 PolarHBondContact O-N 2.81Å; G345-K348 PolarHBondContact O-N 3.36Å; I346-K348 VanDerWaalsContact C-N 3.33Å; I346-K348 PolarHBondContact O-N 2.96Å
349	E	37	Very low	35.5	Very low	148 Å²	148	115.6 Å²	115.6	69%	0.692	61%	0.608	S	S	*	*	H	α-helix	trans	-77.3	-37.1	174.9	-83.1	-177.4	154.1	0	0	112.1	G345 I346 V351 R352	G345-E349 PolarHBondContact O-N 3.12Å; I346-E349 PolarHBondContact O-N 2.76Å; E349-V351 PolarHBondContact O-N 3Å; E349-R352 PolarHBondContact O-N 3.19Å
350	T	33.3	Very low	35.1	Very low	72 Å²	72	116.9 Å²	116.9	44%	0.442	61%	0.614	S	S	.	*	H	α-helix	trans	-73.7	-22.2	-178.6	26.3	0	0	0	0	114.8	I346 R352	I346-T350 PolarHBondContact O-N 2.85Å; I346-T350 VanDerWaalsContact O-N 3.12Å; I346-T350 PolarHBondContact O-OG1 2.88Å; T350-R352 PolarHBondContact O-N 3.43Å
351	V	32.7	Very low	34.8	Very low	124 Å²	124	116.6 Å²	116.6	75%	0.752	61%	0.614	S	S	*	*	T	Hydrogen-bonded Turn	trans	-73.8	-14.8	175.8	174.1	0	0	0	0	112.3	F347 E349	F347-V351 VanDerWaalsContact O-CG2 3.31Å; F347-V351 WeakPolarHBondContact O-CG2 3.34Å; E349-V351 PolarHBondContact O-N 3Å
352	R	32.2	Very low	34.5	Very low	198 Å²	198	117.9 Å²	117.9	75%	0.747	62%	0.616	S	S	*	*	T	Hydrogen-bonded Turn	trans	-83	-29.3	-179.3	-160.3	173.8	-69.2	139.9	0.6	113.4	E349 T350	E349-R352 PolarHBondContact O-N 3.19Å; T350-R352 PolarHBondContact O-N 3.43Å
353	D	31	Very low	34.1	Very low	126 Å²	126	117.4 Å²	117.4	67%	0.674	62%	0.615	S	S	*	*	S	Bend	trans	-125.5	99.2	-173.5	-68.5	-33.7	0	0	0	111.1
354	S	33.7	Very low	34.5	Very low	93 Å²	93	120.1 Å²	120.1	65%	0.65	62%	0.62	S	S	*	*			trans	149.2	92.1	137.6	52.4	0	0	0	0	113.7	T356	S354-T356 PolarHBondContact O-N 3.33Å
355	N	29.2	Very low	34.6	Very low	171 Å²	171	121.7 Å²	121.7	91%	0.914	63%	0.625	S	S	*	*			trans	-85	86.8	156.7	-90	-24.3	0	0	0	109.1
356	T	31.6	Very low	35.1	Very low	112 Å²	112	125.6 Å²	125.6	69%	0.687	64%	0.636	S	S	*	*			trans	-156.9	122.5	161.8	-11.4	0	0	0	0	115.1	S354	S354-T356 PolarHBondContact O-N 3.33Å
357	T	33.4	Very low	35.6	Very low	98 Å²	98	124.3 Å²	124.3	60%	0.601	63%	0.633	S	S	*	*			trans	59.7	126	151.6	24.4	0	0	0	0	122.4	E359 F360	T357-E359 VanDerWaalsContact C-N 3.34Å; T357-E359 PolarHBondContact O-N 2.78Å; T357-F360 PolarHBondContact O-N 2.7Å
358	A	34.5	Very low	36.2	Very low	73 Å²	73	122 Å²	122	60%	0.603	62%	0.624	S	S	*	*	T	Hydrogen-bonded Turn	trans	-60.8	-23	-171.9	0	0	0	0	0	117.1	I361 E362	A358-I361 WeakPolarHBondContact O-CB 3.3Å; A358-I361 PolarHBondContact O-N 2.81Å; A358-I361 VanDerWaalsContact O-N 3.11Å; A358-E362 PolarHBondContact O-N 2.95Å
359	E	33.1	Very low	36.9	Very low	171 Å²	171	117.4 Å²	117.4	80%	0.799	61%	0.613	S	S	*	*	H	α-helix	trans	-73.4	-30.6	179.6	-159.4	169.7	-165.5	0	0	111.8	T357 I361	T357-E359 VanDerWaalsContact C-N 3.34Å; T357-E359 PolarHBondContact O-N 2.78Å; E359-I361 VanDerWaalsContact C-N 3.26Å; E359-I361 PolarHBondContact O-N 2.9Å
360	F	31.5	Very low	37.5	Very low	161 Å²	161	112 Å²	112	71%	0.706	59%	0.594	S	S	*	*	H	α-helix	trans	-70.9	-22.6	168.5	-86.4	-85.9	0	0	0	112.4	T357 R364	T357-F360 PolarHBondContact O-N 2.7Å; F360-R364 WeakPolarHBondContact O-CB 3.32Å; F360-R364 PolarHBondContact O-N 3.03Å
361	I	34.7	Very low	38.7	Very low	96 Å²	96	113 Å²	113	49%	0.492	60%	0.595	S	S	.	*	H	α-helix	trans	-73.9	-40.6	-177.3	-57.9	-179.6	0	0	0	110.6	A358 E359 R364 Q365	A358-I361 WeakPolarHBondContact O-CB 3.3Å; A358-I361 PolarHBondContact O-N 2.81Å; A358-I361 VanDerWaalsContact O-N 3.11Å; E359-I361 VanDerWaalsContact C-N 3.26Å; E359-I361 PolarHBondContact O-N 2.9Å; I361-R364 PolarHBondContact O-N 3.17Å; I361-Q365 WeakPolarHBondContact O-CB 3.49Å; I361-Q365 WeakPolarHBondContact O-CG 3.37Å; I361-Q365 PolarHBondContact O-N 2.82Å
362	E	35.7	Very low	39.9	Very low	144 Å²	144	111.7 Å²	111.7	67%	0.673	58%	0.583	S	S	*	*	H	α-helix	trans	-70.6	-41.5	-178.1	-148.8	169.4	-164	0	0	111.5	A358 Q365 L366	A358-E362 PolarHBondContact O-N 2.95Å; E362-Q365 PolarHBondContact O-N 3.02Å; E362-L366 PolarHBondContact O-N 2.8Å
363	D	38.8	Very low	41	Very low	84 Å²	84	107.6 Å²	107.6	45%	0.449	58%	0.575	S	S	.	*	H	α-helix	trans	-70.7	-35.3	175.1	-106	14.9	0	0	0	112.4	K31 L366 V367	K31-D363 IonicContact NZ-OD2 2.74Å; D363-L366 PolarHBondContact O-N 2.83Å; D363-V367 WeakPolarHBondContact O-CG2 3.29Å; D363-V367 PolarHBondContact O-N 3.35Å
364	R	41.6	Very low	42.1	Very low	135 Å²	135	106.7 Å²	106.7	51%	0.509	57%	0.566	S	S	.	*	H	α-helix	trans	-69	-36.9	174.7	-165.8	-178.2	-167.5	171.7	5.5	111.3	F360 I361 L366 V367 E368	F360-R364 WeakPolarHBondContact O-CB 3.32Å; F360-R364 PolarHBondContact O-N 3.03Å; I361-R364 PolarHBondContact O-N 3.17Å; R364-L366 VanDerWaalsContact C-N 3.29Å; R364-L366 PolarHBondContact O-N 3.33Å; R364-V367 PolarHBondContact O-N 2.86Å; R364-E368 HydrophobicContact CG-CG 4.32Å; R364-E368 IonicContact NE-OE1 2.67Å; R364-E368 VanDerWaalsContact O-CB 3.28Å; R364-E368 WeakPolarHBondContact O-CB 3.16Å; R364-E368 VanDerWaalsContact O-CG 3.25Å; R364-E368 WeakPolarHBondContact O-CG 3.37Å; R364-E368 PolarHBondContact O-N 2.87Å
365	Q	39.5	Very low	43.3	Very low	110 Å²	110	106.3 Å²	106.3	51%	0.514	56%	0.556	S	S	.	*	H	α-helix	trans	-61.4	-36.1	173.1	-84.8	-176.3	-13.8	0	0	112.6	I361 E362 S369	I361-Q365 WeakPolarHBondContact O-CB 3.49Å; I361-Q365 WeakPolarHBondContact O-CG 3.37Å; I361-Q365 PolarHBondContact O-N 2.82Å; E362-Q365 PolarHBondContact O-N 3.02Å; Q365-S369 WeakPolarHBondContact O-CB 3.34Å; Q365-S369 PolarHBondContact O-N 2.81Å; Q365-S369 PolarHBondContact O-OG 2.75Å
366	L	44.1	Very low	44.5	Very low	118 Å²	118	102.9 Å²	102.9	62%	0.618	54%	0.537	S	S	*	.	H	α-helix	trans	-68	-42.6	175.6	-81.7	162.9	0	0	0	112	E362 D363 R364 S369 A370	E362-L366 PolarHBondContact O-N 2.8Å; D363-L366 PolarHBondContact O-N 2.83Å; R364-L366 VanDerWaalsContact C-N 3.29Å; R364-L366 PolarHBondContact O-N 3.33Å; L366-S369 PolarHBondContact O-N 2.9Å; L366-A370 WeakPolarHBondContact O-CB 3.39Å; L366-A370 PolarHBondContact O-N 3.39Å
367	V	48.4	Very low	45.6	Very low	70 Å²	70	99.8 Å²	99.8	42%	0.424	52%	0.518	S	S	.	.	H	α-helix	trans	-67.5	-44.2	175.8	176.9	0	0	0	0	111.1	D363 R364 S369 A370 I371	D363-V367 WeakPolarHBondContact O-CG2 3.29Å; D363-V367 PolarHBondContact O-N 3.35Å; R364-V367 PolarHBondContact O-N 2.86Å; V367-S369 VanDerWaalsContact C-N 3.34Å; V367-S369 PolarHBondContact O-N 2.94Å; V367-A370 PolarHBondContact O-N 3.31Å; V367-I371 HydrophobicContact CG1-CD1 3.8Å; V367-I371 HydrophobicContact CG1-CG1 4.41Å; V367-I371 WeakPolarHBondContact O-CG1 3.37Å; V367-I371 PolarHBondContact O-N 3.17Å
368	E	47.7	Very low	46.8	Very low	89 Å²	89	98.8 Å²	98.8	42%	0.416	51%	0.508	S	S	.	.	H	α-helix	trans	-59.4	-44.8	174	-76.3	173.3	-177.7	0	0	110.8	R364 A370 I371 I372	R364-E368 HydrophobicContact CG-CG 4.32Å; R364-E368 IonicContact NE-OE1 2.67Å; R364-E368 VanDerWaalsContact O-CB 3.28Å; R364-E368 WeakPolarHBondContact O-CB 3.16Å; R364-E368 VanDerWaalsContact O-CG 3.25Å; R364-E368 WeakPolarHBondContact O-CG 3.37Å; R364-E368 PolarHBondContact O-N 2.87Å; E368-A370 VanDerWaalsContact C-N 3.31Å; E368-A370 PolarHBondContact O-N 3.45Å; E368-I371 PolarHBondContact O-N 2.85Å; E368-I372 VanDerWaalsContact O-CB 3.25Å; E368-I372 WeakPolarHBondContact O-CB 3.46Å; E368-I372 WeakPolarHBondContact O-CD1 3.38Å; E368-I372 WeakPolarHBondContact O-CG1 3.36Å; E368-I372 PolarHBondContact O-N 3.47Å
369	S	50.2	Low	47.6	Very low	72 Å²	72	101.3 Å²	101.3	50%	0.503	51%	0.511	S	S	.	.	H	α-helix	trans	-62	-39.6	177	-63.7	0	0	0	0	111.7	Q365 L366 V367 L373	Q365-S369 WeakPolarHBondContact O-CB 3.34Å; Q365-S369 PolarHBondContact O-N 2.81Å; Q365-S369 PolarHBondContact O-OG 2.75Å; L366-S369 PolarHBondContact O-N 2.9Å; V367-S369 VanDerWaalsContact C-N 3.34Å; V367-S369 PolarHBondContact O-N 2.94Å; S369-L373 WeakPolarHBondContact O-CB 3.43Å; S369-L373 PolarHBondContact O-N 3.15Å
370	A	49.9	Very low	48.6	Very low	36 Å²	36	100.5 Å²	100.5	30%	0.298	51%	0.509	S	S	.	.	H	α-helix	trans	-70.7	-40.7	178.3	0	0	0	0	0	112.7	F24 L366 V367 E368 L373 F374	F24-A370 HydrophobicContact CZ-CB 4.06Å; L366-A370 WeakPolarHBondContact O-CB 3.39Å; L366-A370 PolarHBondContact O-N 3.39Å; V367-A370 PolarHBondContact O-N 3.31Å; E368-A370 VanDerWaalsContact C-N 3.31Å; E368-A370 PolarHBondContact O-N 3.45Å; A370-L373 PolarHBondContact O-N 2.81Å; A370-F374 VanDerWaalsContact O-CB 3.31Å; A370-F374 WeakPolarHBondContact O-CB 3.48Å; A370-F374 PolarHBondContact O-N 3.1Å
371	I	59.1	Low	49.4	Very low	92 Å²	92	98.5 Å²	98.5	47%	0.472	50%	0.5	S	S	.	.	H	α-helix	trans	-68.9	-42.9	176.1	-65.9	170.5	0	0	0	110.4	V367 E368 L373 F374 L375	V367-I371 HydrophobicContact CG1-CD1 3.8Å; V367-I371 HydrophobicContact CG1-CG1 4.41Å; V367-I371 WeakPolarHBondContact O-CG1 3.37Å; V367-I371 PolarHBondContact O-N 3.17Å; E368-I371 PolarHBondContact O-N 2.85Å; I371-L373 VanDerWaalsContact C-N 3.32Å; I371-L373 PolarHBondContact O-N 2.94Å; I371-F374 CarbonylContact O-C 3.6Å; I371-F374 WeakPolarHBondContact O-CB 3.42Å; I371-F374 PolarHBondContact O-N 2.99Å; I371-L375 HydrophobicContact CG2-CD1 3.91Å; I371-L375 HydrophobicContact CG2-CG 4.27Å; I371-L375 WeakPolarHBondContact O-CB 3.23Å; I371-L375 VanDerWaalsContact O-CG 3.31Å; I371-L375 WeakPolarHBondContact O-CG 3.42Å; I371-L375 PolarHBondContact O-N 2.98Å
372	I	58.5	Low	50.1	Low	96 Å²	96	102.3 Å²	102.3	49%	0.492	53%	0.528	S	S	.	.	H	α-helix	trans	-62.3	-42.4	174.7	-69.3	165.5	0	0	0	109.9	E368 F374 L375 L376	E368-I372 VanDerWaalsContact O-CB 3.25Å; E368-I372 WeakPolarHBondContact O-CB 3.46Å; E368-I372 WeakPolarHBondContact O-CD1 3.38Å; E368-I372 WeakPolarHBondContact O-CG1 3.36Å; E368-I372 PolarHBondContact O-N 3.47Å; I372-F374 VanDerWaalsContact C-N 3.33Å; I372-F374 PolarHBondContact O-N 2.89Å; I372-L375 PolarHBondContact O-N 3.04Å; I372-L376 HydrophobicContact CG2-CD1 3.7Å; I372-L376 HydrophobicContact CG2-CG 4.08Å; I372-L376 VanDerWaalsContact O-CB 3.24Å; I372-L376 WeakPolarHBondContact O-CB 3.47Å; I372-L376 WeakPolarHBondContact O-CG 3.19Å; I372-L376 PolarHBondContact O-N 2.86Å
373	L	54.9	Low	50.9	Low	112 Å²	112	100.3 Å²	100.3	59%	0.586	52%	0.52	S	S	*	.	H	α-helix	trans	-62.2	-42.2	174.8	-160	84.5	0	0	0	111	S369 A370 I371 L376 V377	S369-L373 WeakPolarHBondContact O-CB 3.43Å; S369-L373 PolarHBondContact O-N 3.15Å; A370-L373 PolarHBondContact O-N 2.81Å; I371-L373 VanDerWaalsContact C-N 3.32Å; I371-L373 PolarHBondContact O-N 2.94Å; L373-L376 PolarHBondContact O-N 2.91Å; L373-V377 VanDerWaalsContact O-CB 3.27Å; L373-V377 WeakPolarHBondContact O-CB 3.5Å; L373-V377 WeakPolarHBondContact O-CG2 3.31Å; L373-V377 PolarHBondContact O-N 2.86Å
374	F	53.9	Low	51.5	Low	107 Å²	107	101.1 Å²	101.1	47%	0.469	52%	0.524	S	S	.	.	H	α-helix	trans	-62.8	-43	176.4	-174.3	-100.4	0	0	0	112.2	A370 I371 I372 V377 I378	A370-F374 VanDerWaalsContact O-CB 3.31Å; A370-F374 WeakPolarHBondContact O-CB 3.48Å; A370-F374 PolarHBondContact O-N 3.1Å; I371-F374 CarbonylContact O-C 3.6Å; I371-F374 WeakPolarHBondContact O-CB 3.42Å; I371-F374 PolarHBondContact O-N 2.99Å; I372-F374 VanDerWaalsContact C-N 3.33Å; I372-F374 PolarHBondContact O-N 2.89Å; F374-V377 PolarHBondContact O-N 2.73Å; F374-I378 HydrophobicContact CD1-CD1 3.69Å; F374-I378 HydrophobicContact CE1-CD1 3.38Å; F374-I378 HydrophobicContact CG-CD1 4.46Å; F374-I378 HydrophobicContact CZ-CD1 3.93Å; F374-I378 VanDerWaalsContact O-CG1 3.3Å; F374-I378 WeakPolarHBondContact O-CG1 3.27Å; F374-I378 PolarHBondContact O-N 3.28Å
375	L	58.9	Low	52	Low	86 Å²	86	99.2 Å²	99.2	45%	0.45	53%	0.525	S	S	.	.	H	α-helix	trans	-70.5	-41.8	176.7	-70.2	173.6	0	0	0	112.1	I371 I372 V377 I378 L379	I371-L375 HydrophobicContact CG2-CD1 3.91Å; I371-L375 HydrophobicContact CG2-CG 4.27Å; I371-L375 WeakPolarHBondContact O-CB 3.23Å; I371-L375 VanDerWaalsContact O-CG 3.31Å; I371-L375 WeakPolarHBondContact O-CG 3.42Å; I371-L375 PolarHBondContact O-N 2.98Å; I372-L375 PolarHBondContact O-N 3.04Å; L375-V377 VanDerWaalsContact C-N 3.3Å; L375-V377 PolarHBondContact O-N 2.78Å; L375-I378 PolarHBondContact O-N 2.86Å; L375-L379 WeakPolarHBondContact O-CB 3.45Å; L375-L379 PolarHBondContact O-N 2.85Å
376	L	54.8	Low	52.8	Low	98 Å²	98	98.6 Å²	98.6	51%	0.513	53%	0.526	S	S	.	.	H	α-helix	trans	-62.8	-38.8	174.4	-76.4	172.6	0	0	0	111.3	I372 L373 L379 M380	I372-L376 HydrophobicContact CG2-CD1 3.7Å; I372-L376 HydrophobicContact CG2-CG 4.08Å; I372-L376 VanDerWaalsContact O-CB 3.24Å; I372-L376 WeakPolarHBondContact O-CB 3.47Å; I372-L376 WeakPolarHBondContact O-CG 3.19Å; I372-L376 PolarHBondContact O-N 2.86Å; L373-L376 PolarHBondContact O-N 2.91Å; L376-L379 PolarHBondContact O-N 2.82Å; L376-M380 WeakPolarHBondContact O-CB 3.2Å; L376-M380 WeakPolarHBondContact O-CG 3.17Å; L376-M380 PolarHBondContact O-N 2.8Å
377	V	55	Low	53.3	Low	48 Å²	48	97.4 Å²	97.4	29%	0.291	52%	0.52	S	S	.	.	H	α-helix	trans	-59.8	-52.2	171.7	163.7	0	0	0	0	109.1	L13 L373 F374 L375 L379 M380 F381	L13-V377 HydrophobicContact CD1-CG1 4.04Å; L13-V377 HydrophobicContact CD2-CG1 4.36Å; L373-V377 VanDerWaalsContact O-CB 3.27Å; L373-V377 WeakPolarHBondContact O-CB 3.5Å; L373-V377 WeakPolarHBondContact O-CG2 3.31Å; L373-V377 PolarHBondContact O-N 2.86Å; F374-V377 PolarHBondContact O-N 2.73Å; L375-V377 VanDerWaalsContact C-N 3.3Å; L375-V377 PolarHBondContact O-N 2.78Å; V377-L379 PolarHBondContact O-N 3.24Å; V377-M380 PolarHBondContact O-N 3.24Å; V377-F381 HydrophobicContact CG1-CD2 4.1Å; V377-F381 HydrophobicContact CG1-CE2 3.91Å; V377-F381 WeakPolarHBondContact O-CD2 3.43Å
378	I	58.1	Low	53.7	Low	77 Å²	77	99.2 Å²	99.2	40%	0.395	53%	0.526	S	S	.	.	H	α-helix	trans	-58.8	-45.3	178	-68.7	166.7	0	0	0	111.8	F374 L375 M380 F381 V382	F374-I378 HydrophobicContact CD1-CD1 3.69Å; F374-I378 HydrophobicContact CE1-CD1 3.38Å; F374-I378 HydrophobicContact CG-CD1 4.46Å; F374-I378 HydrophobicContact CZ-CD1 3.93Å; F374-I378 VanDerWaalsContact O-CG1 3.3Å; F374-I378 WeakPolarHBondContact O-CG1 3.27Å; F374-I378 PolarHBondContact O-N 3.28Å; L375-I378 PolarHBondContact O-N 2.86Å; I378-M380 VanDerWaalsContact C-N 3.33Å; I378-M380 PolarHBondContact O-N 3.23Å; I378-F381 PolarHBondContact O-N 3.09Å; I378-V382 PolarHBondContact O-N 3.46Å
379	L	50.4	Low	54.1	Low	125 Å²	125	99.9 Å²	99.9	65%	0.654	53%	0.534	S	S	*	.	H	α-helix	trans	-66.3	-29.1	179.4	-98.4	141.1	0	0	0	113.7	L375 L376 V377 F381	L375-L379 WeakPolarHBondContact O-CB 3.45Å; L375-L379 PolarHBondContact O-N 2.85Å; L376-L379 PolarHBondContact O-N 2.82Å; V377-L379 PolarHBondContact O-N 3.24Å; L379-F381 PolarHBondContact O-N 2.9Å
380	M	54.6	Low	54.4	Low	154 Å²	154	102.1 Å²	102.1	76%	0.759	54%	0.536	S	S	*	.	H	α-helix	trans	-71.4	-14.5	172.7	-72.3	-121.5	-50.4	0	0	113	L376 V377 I378	L376-M380 WeakPolarHBondContact O-CB 3.2Å; L376-M380 WeakPolarHBondContact O-CG 3.17Å; L376-M380 PolarHBondContact O-N 2.8Å; V377-M380 PolarHBondContact O-N 3.24Å; I378-M380 VanDerWaalsContact C-N 3.33Å; I378-M380 PolarHBondContact O-N 3.23Å
381	F	47.7	Very low	54.8	Low	120 Å²	120	107.6 Å²	107.6	53%	0.526	56%	0.556	S	S	.	*	H	α-helix	trans	-113.4	-5.3	-172.9	-68.4	-61.1	0	0	0	114.9	I5 L13 V377 I378 L379	I5-F381 HydrophobicContact CD1-CD1 4.1Å; I5-F381 HydrophobicContact CD1-CE1 4.24Å; L13-F381 HydrophobicContact CD2-CE2 4.2Å; V377-F381 HydrophobicContact CG1-CD2 4.1Å; V377-F381 HydrophobicContact CG1-CE2 3.91Å; V377-F381 WeakPolarHBondContact O-CD2 3.43Å; I378-F381 PolarHBondContact O-N 3.09Å; L379-F381 PolarHBondContact O-N 2.9Å
382	V	51.1	Low	54.4	Low	176 Å²	176	109 Å²	109	100%	1.067	56%	0.564	S	S	*	*			trans	-93.5	0	164.7	179.8	0	0	0	0	108.3	I378	I378-V382 PolarHBondContact O-N 3.46Å

Retrieved 382 of 382 residues in 208.9 ms (Link to these results)

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