A0A077Z198_TRITR Loading...

Histone binding protein Caf1

AlphaFold DB , UniProt , Accession A0A077Z198, Species TRITR (Trichuris trichiura, Whipworm), Gene n/a, Length 416 aa.

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(Predicted Aligned Error values between residue pairs)

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Site	Residue	pLDDT	pLDDT confidence	pLDDT₁₀	pLDDT10 confidence	SASA	SASA [Å²]	SASA₁₀	SASA10 [Å²]	RSA	RSA unformatted	RSA₁₀	RSA10 unformatted	Surface	Surface10 (not used)	Disorder (not used)	Disorder	Sec. str.	Secondary structure	Isomer	Phi (φ)	Psi (ψ)	Omega (ω)	Chi 1 (χ₁)	Chi 2 (χ₂)	Chi 3 (χ₃)	Chi 4 (χ₄)	Chi 5 (χ₅)	Tau (τ)	Contacts (colored by PAE)	Contact details
1	M	38.6	Very low	40.5	Very low	244 Å²	244	157.5 Å²	157.5	100%	1.202	86%	0.858	S	S	*	*				0	85.1	0	-148.8	168.4	-174.3	0	0	105.1	E3	M1-E3 PolarHBondContact O-N 2.61Å
2	A	39.6	Very low	41.8	Very low	102 Å²	102	151.3 Å²	151.3	84%	0.843	85%	0.845	S	S	*	*			trans	-84.5	112.1	179.7	0	0	0	0	0	106.4	M4	A2-M4 PolarHBondContact O-N 3.26Å
3	E	38.5	Very low	43.9	Very low	188 Å²	188	144.8 Å²	144.8	88%	0.879	81%	0.813	S	S	*	*			trans	-58.7	107.1	175.8	-72.6	172.6	158.9	0	0	108.7	M1 K5	M1-E3 PolarHBondContact O-N 2.61Å; E3-K5 PolarHBondContact O-N 3.37Å
4	M	39.6	Very low	46.7	Very low	181 Å²	181	140.1 Å²	140.1	89%	0.892	79%	0.789	S	S	*	*			trans	-65.6	104.2	169.7	-158.5	168.5	169.6	0	0	105.8	A2 T6	A2-M4 PolarHBondContact O-N 3.26Å; M4-T6 PolarHBondContact O-N 3.22Å
5	K	39.9	Very low	48.9	Very low	196 Å²	196	136.9 Å²	136.9	85%	0.852	77%	0.768	S	S	*	*			trans	-52.1	108.8	170.6	-78.9	178.5	174	-179.7	0	107.2	E3 Q7	E3-K5 PolarHBondContact O-N 3.37Å; K5-Q7 PolarHBondContact O-N 2.81Å
6	T	39.5	Very low	51	Low	136 Å²	136	133.9 Å²	133.9	83%	0.834	76%	0.759	S	S	*	*			trans	-54.1	105.5	161.6	40.3	0	0	0	0	106.3	M4 S8	M4-T6 PolarHBondContact O-N 3.22Å; T6-S8 PolarHBondContact O-N 2.64Å; T6-S8 VanDerWaalsContact O-N 3.09Å
7	Q	38.6	Very low	53.1	Low	183 Å²	183	132.5 Å²	132.5	86%	0.855	75%	0.745	S	S	*	*			trans	-50.3	119.6	160.5	-78.6	169.6	-24.8	0	0	105.5	K5 A9	K5-Q7 PolarHBondContact O-N 2.81Å; Q7-A9 PolarHBondContact O-N 3.15Å
8	S	38.8	Very low	55.1	Low	102 Å²	102	129 Å²	129	71%	0.713	72%	0.722	S	S	*	*			trans	-49.3	112.7	164.6	45.7	0	0	0	0	106.1	T6 V10	T6-S8 PolarHBondContact O-N 2.64Å; T6-S8 VanDerWaalsContact O-N 3.09Å; S8-V10 VanDerWaalsContact C-N 3.35Å; S8-V10 PolarHBondContact O-N 3.35Å
9	A	42.2	Very low	56.8	Low	88 Å²	88	124.5 Å²	124.5	73%	0.727	69%	0.694	S	S	*	*			trans	-53	111.2	164.3	0	0	0	0	0	104.8	Q7 E11	Q7-A9 PolarHBondContact O-N 3.15Å; A9-E11 VanDerWaalsContact C-N 3.29Å; A9-E11 PolarHBondContact O-N 3.28Å
10	V	45	Very low	58.4	Low	135 Å²	135	122 Å²	122	82%	0.818	68%	0.679	S	S	*	*			trans	-59.9	107.1	165.7	179.3	0	0	0	0	102.9	S8 A12	S8-V10 VanDerWaalsContact C-N 3.35Å; S8-V10 PolarHBondContact O-N 3.35Å; V10-A12 PolarHBondContact O-N 3.01Å; V10-A12 VanDerWaalsContact O-N 3.13Å
11	E	45.2	Very low	59.8	Low	177 Å²	177	119.2 Å²	119.2	83%	0.827	67%	0.667	S	S	*	*	P	Polyproline II helix	trans	-56.4	122.9	175.9	-74.2	179.7	166	0	0	106.2	A9	A9-E11 VanDerWaalsContact C-N 3.29Å; A9-E11 PolarHBondContact O-N 3.28Å
12	A	56.4	Low	62.4	Low	84 Å²	84	108.5 Å²	108.5	69%	0.694	61%	0.613	S	S	*	*	P	Polyproline II helix	trans	-55.4	135.6	176.2	0	0	0	0	0	107.9	V10 T14	V10-A12 PolarHBondContact O-N 3.01Å; V10-A12 VanDerWaalsContact O-N 3.13Å; A12-T14 PolarHBondContact O-N 3.43Å
13	P	69.1	Low	64.8	Low	67 Å²	67	110.7 Å²	110.7	44%	0.435	60%	0.6	S	S	.	*	P	Polyproline II helix	trans	-55.7	142.5	-178.5	23.1	-32.3	0	0	0	109.8	E17 E18	P13-E17 WeakPolarHBondContact CA-OE2 3.3Å; P13-E17 HydrophobicContact CB-CB 4.15Å; P13-E18 HydrophobicContact CB-CG 3.9Å; P13-E18 HydrophobicContact CG-CG 3.71Å
14	T	82.4	Confident	67.3	Low	78 Å²	78	108 Å²	108	48%	0.479	59%	0.587	S	S	.	*	P	Polyproline II helix	trans	-66	153.7	173.9	61.9	0	0	0	0	109.7	A12 S16 E17 E18	A12-T14 PolarHBondContact O-N 3.43Å; T14-S16 PolarHBondContact O-N 3.41Å; T14-E17 PolarHBondContact N-OE2 3.31Å; T14-E17 WeakPolarHBondContact O-CB 3.3Å; T14-E17 PolarHBondContact O-N 2.91Å; T14-E17 WeakPolarHBondContact OG1-CG 3.21Å; T14-E17 PolarHBondContact OG1-N 2.93Å; T14-E17 PolarHBondContact OG1-OE2 2.79Å; T14-E18 PolarHBondContact O-N 2.83Å
15	I	80.2	Confident	69.8	Low	92 Å²	92	102.6 Å²	102.6	47%	0.472	56%	0.562	S	S	.	*	H	α-helix	trans	-50	-35.3	174.8	-64.1	171.5	0	0	0	111.2	H19 T377	I15-H19 VanDerWaalsContact O-CB 3.23Å; I15-H19 WeakPolarHBondContact O-CB 3.24Å; I15-H19 PolarHBondContact O-N 2.93Å; I15-T377 HydrophobicContact CG2-CG2 4.18Å
16	S	81.9	Confident	72.2	Confident	90 Å²	90	93.3 Å²	93.3	63%	0.629	52%	0.522	S	S	*	.	H	α-helix	trans	-67.9	-35.1	176.9	-175.1	0	0	0	0	113.8	T14 L20	T14-S16 PolarHBondContact O-N 3.41Å; S16-L20 VanDerWaalsContact O-CB 3.3Å; S16-L20 WeakPolarHBondContact O-CB 3.27Å; S16-L20 PolarHBondContact O-N 3.49Å
17	E	87.5	Confident	74.6	Confident	109 Å²	109	88.3 Å²	88.3	51%	0.509	49%	0.492	S	S	.	.	H	α-helix	trans	-75.4	-42.9	178.5	-73.9	167.3	156.4	0	0	111	P13 T14 H19 L20 C21	P13-E17 WeakPolarHBondContact CA-OE2 3.3Å; P13-E17 HydrophobicContact CB-CB 4.15Å; T14-E17 PolarHBondContact N-OE2 3.31Å; T14-E17 WeakPolarHBondContact O-CB 3.3Å; T14-E17 PolarHBondContact O-N 2.91Å; T14-E17 WeakPolarHBondContact OG1-CG 3.21Å; T14-E17 PolarHBondContact OG1-N 2.93Å; T14-E17 PolarHBondContact OG1-OE2 2.79Å; E17-H19 VanDerWaalsContact C-N 3.33Å; E17-H19 PolarHBondContact O-N 2.95Å; E17-L20 PolarHBondContact O-N 3.03Å; E17-C21 WeakPolarHBondContact O-CB 3.32Å; E17-C21 PolarHBondContact O-N 2.84Å
18	E	88.1	Confident	77.1	Confident	70 Å²	70	83.8 Å²	83.8	33%	0.327	47%	0.473	S	S	.	.	H	α-helix	trans	-58.8	-47.2	173.6	-65.3	-173.1	164.1	0	0	111	P13 T14 L20 C21 W22 R344	P13-E18 HydrophobicContact CB-CG 3.9Å; P13-E18 HydrophobicContact CG-CG 3.71Å; T14-E18 PolarHBondContact O-N 2.83Å; E18-L20 VanDerWaalsContact C-N 3.32Å; E18-L20 PolarHBondContact O-N 3.16Å; E18-C21 WeakPolarHBondContact O-CB 3.42Å; E18-C21 PolarHBondContact O-N 2.78Å; E18-W22 PolarHBondContact O-N 2.89Å; E18-R344 IonicContact OE2-CZ 3.69Å; E18-R344 IonicContact OE2-NH2 2.78Å; E18-R344 PolarHBondContact OE2-NH2 3.17Å
19	H	87.8	Confident	79.6	Confident	44 Å²	44	81.1 Å²	81.1	20%	0.204	45%	0.451	C	S	.	.	H	α-helix	trans	-65.2	-36.2	178.7	-173.3	61.9	0	0	0	112.2	I15 E17 W22 R23 G375 T377	I15-H19 VanDerWaalsContact O-CB 3.23Å; I15-H19 WeakPolarHBondContact O-CB 3.24Å; I15-H19 PolarHBondContact O-N 2.93Å; E17-H19 VanDerWaalsContact C-N 3.33Å; E17-H19 PolarHBondContact O-N 2.95Å; H19-W22 AromaticContact CE1-CE3 3.56Å; H19-W22 AromaticContact CE1-CZ3 3.46Å; H19-W22 VanDerWaalsContact CE1-CZ3 3.46Å; H19-W22 WeakPolarHBondContact CE1-CZ3 3.41Å; H19-W22 AromaticContact ND1-CE3 3.62Å; H19-W22 AromaticContact ND1-CZ3 4Å; H19-W22 PolarHBondContact O-N 3.17Å; H19-R23 WeakPolarHBondContact O-CB 3.38Å; H19-R23 PolarHBondContact O-N 3.44Å; H19-G375 PolarHBondContact CE1-O 2.91Å; H19-G375 PolarHBondContact ND1-O 2.76Å; H19-T377 HydrophobicContact CB-CG2 3.87Å
20	L	88.6	Confident	82	Confident	73 Å²	73	77.3 Å²	77.3	38%	0.382	42%	0.417	S	S	.	.	H	α-helix	trans	-64.8	-44	174.4	-178.1	65.2	0	0	0	111.5	S16 E17 E18 R23 Q24	S16-L20 VanDerWaalsContact O-CB 3.3Å; S16-L20 WeakPolarHBondContact O-CB 3.27Å; S16-L20 PolarHBondContact O-N 3.49Å; E17-L20 PolarHBondContact O-N 3.03Å; E18-L20 VanDerWaalsContact C-N 3.32Å; E18-L20 PolarHBondContact O-N 3.16Å; L20-R23 PolarHBondContact O-N 3.24Å; L20-Q24 WeakPolarHBondContact O-CG 3.49Å; L20-Q24 PolarHBondContact O-N 3.35Å; L20-Q24 VanDerWaalsContact O-N 3.11Å
21	C	89.1	Confident	84.2	Confident	65 Å²	65	72.3 Å²	72.3	44%	0.439	39%	0.386	S	S	.	.	H	α-helix	trans	-61.9	-46.6	175.7	-175.8	0	0	0	0	111.2	E17 E18 R23 Q24 N25	E17-C21 WeakPolarHBondContact O-CB 3.32Å; E17-C21 PolarHBondContact O-N 2.84Å; E18-C21 WeakPolarHBondContact O-CB 3.42Å; E18-C21 PolarHBondContact O-N 2.78Å; C21-R23 VanDerWaalsContact C-N 3.33Å; C21-R23 PolarHBondContact O-N 3.04Å; C21-Q24 PolarHBondContact O-N 3.45Å; C21-N25 PolarHBondContact O-N 2.87Å; C21-N25 PolarHBondContact O-ND2 3.03Å
22	W	92.6	Very high	86.3	Confident	19 Å²	19	64.1 Å²	64.1	7%	0.072	35%	0.348	C	S	.	.	H	α-helix	trans	-56.6	-47.8	174.3	168.4	82	0	0	0	111.2	E18 H19 Q24 N25 A26 Y30 L33 M35	E18-W22 PolarHBondContact O-N 2.89Å; H19-W22 AromaticContact CE1-CE3 3.56Å; H19-W22 AromaticContact CE1-CZ3 3.46Å; H19-W22 VanDerWaalsContact CE1-CZ3 3.46Å; H19-W22 WeakPolarHBondContact CE1-CZ3 3.41Å; H19-W22 AromaticContact ND1-CE3 3.62Å; H19-W22 AromaticContact ND1-CZ3 4Å; H19-W22 PolarHBondContact O-N 3.17Å; W22-Q24 PolarHBondContact O-N 3.07Å; W22-N25 CarbonylContact O-C 3.58Å; W22-N25 PolarHBondContact O-N 3.4Å; W22-A26 HydrophobicContact CZ2-CB 4.33Å; W22-A26 WeakPolarHBondContact O-CB 3.35Å; W22-A26 PolarHBondContact O-N 3.47Å; W22-Y30 AromaticContact CE2-CE2 3.88Å; W22-Y30 AromaticContact CZ2-CE2 3.86Å; W22-Y30 HydrophobicContact CZ2-CE2 3.86Å; W22-Y30 AromaticContact NE1-CE2 3.44Å; W22-Y30 AromaticContact NE1-CZ 3.65Å; W22-Y30 PolarHBondContact NE1-OH 2.62Å; W22-L33 HydrophobicContact CH2-CD1 4.48Å; W22-L33 HydrophobicContact CH2-CD2 3.69Å; W22-L33 HydrophobicContact CZ2-CD1 4.28Å; W22-L33 HydrophobicContact CZ2-CD2 3.67Å; W22-M35 HydrophobicContact CH2-CE 4.41Å; W22-M35 HydrophobicContact CH2-SD 3.87Å; W22-M35 HydrophobicContact CZ3-CE 4.41Å; W22-M35 HydrophobicContact CZ3-SD 4.15Å
23	R	89.7	Confident	87.9	Confident	147 Å²	147	60.6 Å²	60.6	56%	0.555	32%	0.318	S	S	*	.	H	α-helix	trans	-61.3	-33.8	-178.8	-170.4	178	67.5	176.6	0.8	112.7	H19 L20 C21	H19-R23 WeakPolarHBondContact O-CB 3.38Å; H19-R23 PolarHBondContact O-N 3.44Å; L20-R23 PolarHBondContact O-N 3.24Å; C21-R23 VanDerWaalsContact C-N 3.33Å; C21-R23 PolarHBondContact O-N 3.04Å
24	Q	90.8	Very high	89	Confident	131 Å²	131	57.8 Å²	57.8	61%	0.612	30%	0.299	S	S	*	.	H	α-helix	trans	-69.3	-33.6	175.3	-72	172.5	-9.6	0	0	112.4	L20 C21 W22	L20-Q24 WeakPolarHBondContact O-CG 3.49Å; L20-Q24 PolarHBondContact O-N 3.35Å; L20-Q24 VanDerWaalsContact O-N 3.11Å; C21-Q24 PolarHBondContact O-N 3.45Å; W22-Q24 PolarHBondContact O-N 3.07Å
25	N	92.4	Very high	89.4	Confident	68 Å²	68	58 Å²	58	36%	0.364	30%	0.296	S	S	.	.	H	α-helix	trans	-93.9	-16.3	-178.4	-67.4	-66.8	0	0	0	113.8	C21 W22 P27 L28 L29	C21-N25 PolarHBondContact O-N 2.87Å; C21-N25 PolarHBondContact O-ND2 3.03Å; W22-N25 CarbonylContact O-C 3.58Å; W22-N25 PolarHBondContact O-N 3.4Å; N25-P27 VanDerWaalsContact C-CD 3.45Å; N25-P27 VanDerWaalsContact C-N 3.32Å; N25-L28 WeakPolarHBondContact O-CB 3.39Å; N25-L28 PolarHBondContact O-N 2.96Å; N25-L29 HydrophobicContact CB-CD1 4.16Å; N25-L29 HydrophobicContact CB-CG 4.49Å; N25-L29 WeakPolarHBondContact O-CG 3.5Å; N25-L29 PolarHBondContact O-N 3.32Å
26	A	91.1	Very high	89.9	Confident	1 Å²	1	56.1 Å²	56.1	1%	0.008	29%	0.285	C	S	.	.	H	α-helix	trans	-48	-42.6	179.8	0	0	0	0	0	114.5	W22 L28 L29 Y30 L33 F108	W22-A26 HydrophobicContact CZ2-CB 4.33Å; W22-A26 WeakPolarHBondContact O-CB 3.35Å; W22-A26 PolarHBondContact O-N 3.47Å; A26-L28 PolarHBondContact O-N 2.84Å; A26-L28 VanDerWaalsContact O-N 3.15Å; A26-L29 PolarHBondContact O-N 3.06Å; A26-L29 VanDerWaalsContact O-N 3.13Å; A26-Y30 HydrophobicContact CB-CD2 3.99Å; A26-Y30 HydrophobicContact CB-CE2 4.04Å; A26-Y30 VanDerWaalsContact O-CD2 3.3Å; A26-Y30 WeakPolarHBondContact O-CD2 3.28Å; A26-Y30 PolarHBondContact O-N 3.38Å; A26-L33 HydrophobicContact CB-CD2 3.96Å; A26-F108 HydrophobicContact CB-CE1 4.39Å; A26-F108 HydrophobicContact CB-CZ 3.83Å
27	P	88.3	Confident	90.4	Very high	32 Å²	32	55.8 Å²	55.8	21%	0.208	29%	0.288	C	S	.	.	H	α-helix	trans	-36.7	-42.4	162.8	-46.8	48.5	0	0	0	118.9	N25 F105 F108	N25-P27 VanDerWaalsContact C-CD 3.45Å; N25-P27 VanDerWaalsContact C-N 3.32Å; P27-F105 HydrophobicContact CB-CB 3.3Å; P27-F105 HydrophobicContact CB-CD1 4.1Å; P27-F105 HydrophobicContact CB-CG 3.79Å; P27-F105 HydrophobicContact CG-CB 3.7Å; P27-F105 HydrophobicContact CG-CG 4.5Å; P27-F108 HydrophobicContact CG-CE2 3.93Å; P27-F108 HydrophobicContact CG-CZ 4.23Å
28	L	91.3	Very high	90.7	Very high	88 Å²	88	51.5 Å²	51.5	46%	0.461	27%	0.268	S	S	.	.	H	α-helix	trans	-87.7	-35.7	-176.1	-59	172.6	0	0	0	109.9	N25 A26 F105 A408 Y410	N25-L28 WeakPolarHBondContact O-CB 3.39Å; N25-L28 PolarHBondContact O-N 2.96Å; A26-L28 PolarHBondContact O-N 2.84Å; A26-L28 VanDerWaalsContact O-N 3.15Å; L28-F105 HydrophobicContact CD2-CE1 4.32Å; L28-A408 WeakPolarHBondContact O-CB 3.31Å; L28-Y410 WeakPolarHBondContact O-CE1 3.48Å; L28-Y410 PolarHBondContact O-OH 3.01Å
29	L	92.6	Very high	90.9	Very high	46 Å²	46	54.1 Å²	54.1	24%	0.241	28%	0.28	C	S	.	.	H	α-helix	trans	-77.9	-23.4	-171.5	-59.7	173.8	0	0	0	114.4	N25 A26 F371 A408	N25-L29 HydrophobicContact CB-CD1 4.16Å; N25-L29 HydrophobicContact CB-CG 4.49Å; N25-L29 WeakPolarHBondContact O-CG 3.5Å; N25-L29 PolarHBondContact O-N 3.32Å; A26-L29 PolarHBondContact O-N 3.06Å; A26-L29 VanDerWaalsContact O-N 3.13Å; L29-F371 HydrophobicContact CB-CE2 4.09Å; L29-F371 HydrophobicContact CB-CZ 4.11Å; L29-F371 HydrophobicContact CD2-CE2 4.09Å; L29-A408 PolarHBondContact O-N 3.35Å
30	Y	92.5	Very high	91.1	Very high	7 Å²	7	55.8 Å²	55.8	3%	0.027	29%	0.285	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-131.3	132.2	-170.5	-52.9	-71.3	0	0	0	113.1	W22 A26 A32 L33 F371 H373 W405 Q406	W22-Y30 AromaticContact CE2-CE2 3.88Å; W22-Y30 AromaticContact CZ2-CE2 3.86Å; W22-Y30 HydrophobicContact CZ2-CE2 3.86Å; W22-Y30 AromaticContact NE1-CE2 3.44Å; W22-Y30 AromaticContact NE1-CZ 3.65Å; W22-Y30 PolarHBondContact NE1-OH 2.62Å; A26-Y30 HydrophobicContact CB-CD2 3.99Å; A26-Y30 HydrophobicContact CB-CE2 4.04Å; A26-Y30 VanDerWaalsContact O-CD2 3.3Å; A26-Y30 WeakPolarHBondContact O-CD2 3.28Å; A26-Y30 PolarHBondContact O-N 3.38Å; Y30-A32 VanDerWaalsContact C-N 3.32Å; Y30-L33 HydrophobicContact CD2-CB 4.31Å; Y30-L33 HydrophobicContact CD2-CD2 3.92Å; Y30-L33 HydrophobicContact CE2-CD2 4.23Å; Y30-L33 HydrophobicContact CG-CB 4.32Å; Y30-F371 HydrophobicContact CD1-CZ 4.3Å; Y30-F371 AromaticContact CE1-CE1 3.67Å; Y30-F371 HydrophobicContact CE1-CE1 3.67Å; Y30-F371 AromaticContact CE1-CZ 3.45Å; Y30-F371 HydrophobicContact CE1-CZ 3.45Å; Y30-F371 VanDerWaalsContact CE1-CZ 3.45Å; Y30-F371 AromaticContact CZ-CZ 3.69Å; Y30-F371 WeakPolarHBondContact OH-CZ 3.28Å; Y30-H373 AromaticContact CE1-ND1 3.75Å; Y30-H373 AromaticContact CZ-ND1 3.52Å; Y30-H373 PolarHBondContact OH-ND1 3.02Å; Y30-W405 HydrophobicContact CD1-CB 3.97Å; Y30-W405 HydrophobicContact CD1-CE3 4.14Å; Y30-W405 HydrophobicContact CE1-CB 4.18Å; Y30-W405 HydrophobicContact CE1-CD2 4.25Å; Y30-W405 AromaticContact CE1-CE3 3.77Å; Y30-W405 HydrophobicContact CE1-CE3 3.77Å; Y30-W405 HydrophobicContact CE1-CG 4.43Å; Y30-W405 HydrophobicContact CE1-CZ3 4.45Å; Y30-Q406 CarbonylContact C-O 3.03Å; Y30-Q406 VanDerWaalsContact CA-O 3.25Å; Y30-Q406 WeakPolarHBondContact CA-O 3.49Å; Y30-Q406 WeakPolarHBondContact CB-O 3.38Å
31	D	90.2	Very high	91.4	Very high	31 Å²	31	53.1 Å²	53.1	17%	0.166	27%	0.272	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-73.8	-27.9	166.8	-80.5	-38.8	0	0	0	111.7	K97 Q406 A408 D409	D31-K97 IonicContact OD1-NZ 3.62Å; D31-Q406 PolarHBondContact N-O 3.19Å; D31-A408 WeakPolarHBondContact OD2-CA 3.47Å; D31-D409 PolarHBondContact OD2-N 3.04Å
32	A	88.9	Confident	91.8	Very high	4 Å²	4	50.1 Å²	50.1	3%	0.033	25%	0.252	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-145	138.5	171.6	0	0	0	0	0	110.6	Y30 M90 W405 Q406	Y30-A32 VanDerWaalsContact C-N 3.32Å; A32-M90 HydrophobicContact CB-CE 3.67Å; A32-W405 CarbonylContact O-C 3.55Å; A32-W405 WeakPolarHBondContact O-CA 3.41Å; A32-Q406 HydrophobicContact CB-CB 4.08Å; A32-Q406 PolarHBondContact O-N 3.16Å
33	L	91	Very high	92.1	Very high	10 Å²	10	50.3 Å²	50.3	5%	0.052	25%	0.254	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-145.6	119.2	174.6	175.8	64.3	0	0	0	109.2	W22 A26 Y30 M35 F108 I404 W405	W22-L33 HydrophobicContact CH2-CD1 4.48Å; W22-L33 HydrophobicContact CH2-CD2 3.69Å; W22-L33 HydrophobicContact CZ2-CD1 4.28Å; W22-L33 HydrophobicContact CZ2-CD2 3.67Å; A26-L33 HydrophobicContact CB-CD2 3.96Å; Y30-L33 HydrophobicContact CD2-CB 4.31Å; Y30-L33 HydrophobicContact CD2-CD2 3.92Å; Y30-L33 HydrophobicContact CE2-CD2 4.23Å; Y30-L33 HydrophobicContact CG-CB 4.32Å; L33-M35 HydrophobicContact CD1-CG 4.44Å; L33-F108 HydrophobicContact CD2-CE1 3.83Å; L33-F108 HydrophobicContact CD2-CZ 4.2Å; L33-I404 CarbonylContact C-O 3.5Å; L33-I404 WeakPolarHBondContact CA-O 3.45Å; L33-W405 HydrophobicContact CD1-CB 3.83Å
34	L	90.9	Very high	92.5	Very high	9 Å²	9	43.3 Å²	43.3	5%	0.047	23%	0.227	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-115.8	134.9	170.7	-177.2	81.1	0	0	0	108.6	V88 L114 Q403 I404	L34-V88 HydrophobicContact CD2-CG2 3.64Å; L34-L114 HydrophobicContact CD1-CB 3.81Å; L34-L114 HydrophobicContact CD1-CD1 3.43Å; L34-L114 VanDerWaalsContact CD1-CD1 3.43Å; L34-L114 HydrophobicContact CD1-CG 4.18Å; L34-L114 HydrophobicContact CD2-CB 4.38Å; L34-Q403 CarbonylContact O-C 3.58Å; L34-Q403 VanDerWaalsContact O-CA 3.31Å; L34-Q403 WeakPolarHBondContact O-CA 3.44Å; L34-I404 HydrophobicContact CB-CB 4.18Å; L34-I404 HydrophobicContact CD2-CD1 3.9Å; L34-I404 PolarHBondContact N-O 3.2Å; L34-I404 PolarHBondContact O-N 3.48Å
35	M	91.6	Very high	92.8	Very high	81 Å²	81	37 Å²	37	40%	0.399	20%	0.198	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-120.1	131	170	-59.4	176	68.6	0	0	108.8	W22 L33 V401 Q403	W22-M35 HydrophobicContact CH2-CE 4.41Å; W22-M35 HydrophobicContact CH2-SD 3.87Å; W22-M35 HydrophobicContact CZ3-CE 4.41Å; W22-M35 HydrophobicContact CZ3-SD 4.15Å; L33-M35 HydrophobicContact CD1-CG 4.44Å; M35-V401 HydrophobicContact CE-CG1 4.39Å; M35-Q403 HydrophobicContact CG-CG 4.17Å
36	H	91.7	Very high	93.1	Very high	53 Å²	53	35.5 Å²	35.5	25%	0.245	19%	0.189	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-133.1	125.6	178.5	-170.8	80.8	0	0	0	110.2	L38 L115 L402	H36-L38 PolarHBondContact O-N 3.36Å; H36-L115 HydrophobicContact CB-CD1 4.47Å; H36-L402 PolarHBondContact N-O 2.83Å; H36-L402 PolarHBondContact O-N 3.15Å
37	A	92.4	Very high	93.5	Very high	83 Å²	83	35.6 Å²	35.6	69%	0.686	19%	0.189	S	C	*	.	E	Extended strand (participates in β ladder)	trans	-81.9	111.9	173.7	0	0	0	0	0	109.3
38	L	92.9	Very high	93.9	Very high	20 Å²	20	34.5 Å²	34.5	11%	0.105	18%	0.181	C	C	.	.			trans	-74.3	155.2	172.4	-61.1	171.6	0	0	0	110.3	H36 W40 L72 N400 L402	H36-L38 PolarHBondContact O-N 3.36Å; L38-W40 VanDerWaalsContact C-N 3.27Å; L38-W40 VanDerWaalsContact CB-O 3.23Å; L38-W40 WeakPolarHBondContact CB-O 3.28Å; L38-W40 PolarHBondContact O-N 2.92Å; L38-L72 HydrophobicContact CD2-CD1 4.07Å; L38-N400 HydrophobicContact CB-CB 4.47Å; L38-N400 WeakPolarHBondContact CB-O 3.18Å; L38-N400 PolarHBondContact N-O 3.48Å; L38-N400 WeakPolarHBondContact O-CB 3.21Å; L38-L402 HydrophobicContact CD1-CB 4.06Å; L38-L402 HydrophobicContact CD2-CB 4.46Å; L38-L402 HydrophobicContact CG-CB 4.14Å
39	E	91.8	Very high	94.2	Very high	124 Å²	124	32.5 Å²	32.5	58%	0.579	17%	0.173	S	C	*	.	S	Bend	trans	-63.2	-37.5	174.2	-168	-176.6	175.5	0	0	111.6	R120 N400	E39-R120 IonicContact OE2-CZ 3.07Å; E39-R120 IonicContact OE2-NH1 3.2Å; E39-R120 IonicContact OE2-NH2 3.64Å; E39-R120 PolarHBondContact OE2-NH2 2.57Å; E39-N400 PolarHBondContact O-ND2 3.32Å
40	W	93.2	Very high	94.2	Very high	80 Å²	80	31.9 Å²	31.9	30%	0.303	18%	0.178	S	C	.	.	S	Bend	trans	-137.4	155.1	-178.9	-64	105.8	0	0	0	109.6	L38 A76 E79	L38-W40 VanDerWaalsContact C-N 3.27Å; L38-W40 VanDerWaalsContact CB-O 3.23Å; L38-W40 WeakPolarHBondContact CB-O 3.28Å; L38-W40 PolarHBondContact O-N 2.92Å; W40-A76 HydrophobicContact CB-CB 4.19Å; W40-A76 HydrophobicContact CD2-CB 3.51Å; W40-A76 HydrophobicContact CE3-CB 3.84Å; W40-A76 HydrophobicContact CG-CB 3.63Å; W40-E79 HydrophobicContact CH2-CG 4.13Å; W40-E79 HydrophobicContact CZ2-CB 4.08Å; W40-E79 HydrophobicContact CZ2-CG 3.67Å
41	P	95.2	Very high	94.2	Very high	17 Å²	17	35.8 Å²	35.8	11%	0.11	20%	0.195	C	C	.	.			trans	-65	157.4	176.7	26.3	-28.1	0	0	0	110.5	H75 N400	P41-H75 WeakPolarHBondContact CD-O 3.45Å; P41-H75 HydrophobicContact CG-CB 4.18Å; P41-H75 WeakPolarHBondContact CG-O 3.42Å; P41-H75 PolarHBondContact O-N 3.38Å; P41-N400 WeakPolarHBondContact CB-OD1 3.37Å; P41-N400 WeakPolarHBondContact CD-OD1 3.06Å
42	S	97.4	Very high	94.3	Very high	2 Å²	2	37.4 Å²	37.4	1%	0.014	21%	0.21	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-122.5	121.4	178.2	-168.1	0	0	0	0	109.1	T44 G73 V396	S42-T44 VanDerWaalsContact C-N 3.25Å; S42-T44 PolarHBondContact OG-O 3.22Å; S42-G73 VanDerWaalsContact CA-O 3.22Å; S42-G73 WeakPolarHBondContact CA-O 3.08Å; S42-G73 WeakPolarHBondContact CB-O 3.4Å; S42-G73 PolarHBondContact OG-N 2.91Å; S42-G73 PolarHBondContact OG-O 2.83Å; S42-V396 WeakPolarHBondContact O-CG2 3.45Å
43	L	97.4	Very high	94.3	Very high	22 Å²	22	42 Å²	42	12%	0.115	24%	0.239	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-81	-10.1	174.8	-67.5	178.5	0	0	0	112.6	H75 P381 D382	L43-H75 HydrophobicContact CD1-CB 4.24Å; L43-H75 WeakPolarHBondContact CD1-ND1 3.17Å; L43-H75 WeakPolarHBondContact CD2-ND1 3.21Å; L43-H75 HydrophobicContact CG-CB 3.94Å; L43-H75 WeakPolarHBondContact CG-ND1 3.14Å; L43-P381 HydrophobicContact CD2-CB 4.13Å; L43-P381 HydrophobicContact CD2-CG 4.21Å; L43-D382 WeakPolarHBondContact O-CB 2.97Å
44	T	98.3	Very high	94	Very high	0 Å²	0	44 Å²	44	0%	0	25%	0.249	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-140	142.2	-176	-164.2	0	0	0	0	111.8	S42 V127 A130 R131 D382	S42-T44 VanDerWaalsContact C-N 3.25Å; S42-T44 PolarHBondContact OG-O 3.22Å; T44-V127 HydrophobicContact CG2-CG1 3.87Å; T44-A130 HydrophobicContact CG2-CB 3.82Å; T44-A130 PolarHBondContact OG1-N 2.9Å; T44-A130 VanDerWaalsContact OG1-N 3.12Å; T44-R131 PolarHBondContact OG1-NH1 2.81Å; T44-D382 VanDerWaalsContact CA-OD2 3.29Å; T44-D382 WeakPolarHBondContact CA-OD2 3.48Å; T44-D382 PolarHBondContact OG1-OD2 3.17Å; T44-D382 VanDerWaalsContact OG1-OD2 3.07Å
45	V	98.4	Very high	93.2	Very high	0 Å²	0	49.8 Å²	49.8	0%	0	29%	0.285	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-146.3	139.5	170.4	68.2	0	0	0	0	109.6	M70 I71 L72 D382 C394 V396 L402	V45-M70 HydrophobicContact CG2-SD 4.26Å; V45-I71 WeakPolarHBondContact CA-O 3.36Å; V45-L72 HydrophobicContact CB-CD2 4.07Å; V45-L72 HydrophobicContact CG2-CD2 3.68Å; V45-D382 HydrophobicContact CG1-CB 4.28Å; V45-D382 PolarHBondContact N-OD2 2.97Å; V45-C394 HydrophobicContact CG2-CB 4.34Å; V45-C394 WeakPolarHBondContact CG2-SG 3.42Å; V45-V396 HydrophobicContact CB-CG1 3.87Å; V45-V396 HydrophobicContact CB-CG2 4.04Å; V45-V396 HydrophobicContact CG1-CG1 4.2Å; V45-V396 HydrophobicContact CG1-CG2 3.89Å; V45-V396 HydrophobicContact CG2-CG1 4.26Å; V45-L402 HydrophobicContact CG2-CD1 4.41Å
46	Q	98.5	Very high	91.8	Very high	35 Å²	35	47.5 Å²	47.5	16%	0.164	28%	0.282	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-149.8	130.3	174	-164	-176.6	27.2	0	0	111.2	M70 I71 R131 F132	Q46-M70 CarbonylContact O-C 3.56Å; Q46-M70 VanDerWaalsContact O-CA 3.22Å; Q46-M70 WeakPolarHBondContact O-CA 3.37Å; Q46-M70 WeakPolarHBondContact O-CB 3.43Å; Q46-I71 HydrophobicContact CB-CB 4.48Å; Q46-I71 HydrophobicContact CB-CD1 4.44Å; Q46-I71 PolarHBondContact N-O 2.82Å; Q46-I71 PolarHBondContact O-N 3.23Å; Q46-R131 VanDerWaalsContact OE1-CA 3.27Å; Q46-F132 VanDerWaalsContact CD-CD1 3.4Å; Q46-F132 HydrophobicContact CG-CD1 4.17Å; Q46-F132 HydrophobicContact CG-CE1 3.94Å; Q46-F132 VanDerWaalsContact OE1-N 3.1Å
47	W	98.4	Very high	89.8	Confident	4 Å²	4	48.1 Å²	48.1	2%	0.015	30%	0.303	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-65.1	134.9	169.9	-73	107.2	0	0	0	111.4	Y68 M70 V88 F132 S384 N386 M392 C394 I404	W47-Y68 VanDerWaalsContact CZ3-CB 3.42Å; W47-Y68 HydrophobicContact CZ3-CG 4.32Å; W47-M70 HydrophobicContact CE3-CB 4.05Å; W47-M70 HydrophobicContact CE3-CE 4.11Å; W47-M70 HydrophobicContact CH2-CE 3.44Å; W47-M70 VanDerWaalsContact CH2-CE 3.44Å; W47-M70 HydrophobicContact CZ2-CE 4.22Å; W47-M70 HydrophobicContact CZ3-CB 4.39Å; W47-M70 HydrophobicContact CZ3-CE 3.33Å; W47-V88 HydrophobicContact CH2-CG1 3.72Å; W47-V88 HydrophobicContact CZ3-CG1 3.77Å; W47-F132 WeakPolarHBondContact O-CE1 3.37Å; W47-S384 PolarHBondContact N-OG 3.41Å; W47-S384 PolarHBondContact NE1-O 2.89Å; W47-S384 VanDerWaalsContact NE1-O 3.09Å; W47-N386 VanDerWaalsContact CD1-CA 3.47Å; W47-N386 VanDerWaalsContact CD1-N 3.3Å; W47-N386 HydrophobicContact CD2-CB 4.08Å; W47-N386 HydrophobicContact CG-CB 3.96Å; W47-M392 HydrophobicContact CZ2-CG 4.37Å; W47-M392 HydrophobicContact CZ2-SD 4.4Å; W47-C394 VanDerWaalsContact CD1-SG 3.56Å; W47-C394 VanDerWaalsContact CE2-SG 3.57Å; W47-C394 HydrophobicContact CZ2-CB 3.69Å; W47-C394 PolarHBondContact NE1-SG 3.28Å; W47-I404 HydrophobicContact CH2-CD1 3.98Å; W47-I404 HydrophobicContact CH2-CG1 4.35Å; W47-I404 HydrophobicContact CH2-CG2 3.98Å; W47-I404 HydrophobicContact CZ2-CD1 4.42Å; W47-I404 HydrophobicContact CZ2-CG1 4.29Å; W47-I404 HydrophobicContact CZ2-CG2 3.78Å
48	L	97.7	Very high	87.3	Confident	9 Å²	9	49 Å²	49	5%	0.047	30%	0.303	C	S	.	.	P	Polyproline II helix	trans	-83.2	149.3	166.4	-72.8	171.7	0	0	0	110.1	R69 I71 I85 F132 P137	L48-R69 HydrophobicContact CB-CB 4.23Å; L48-R69 WeakPolarHBondContact CB-O 3.4Å; L48-R69 HydrophobicContact CD1-CB 3.98Å; L48-R69 PolarHBondContact N-O 3.4Å; L48-I71 HydrophobicContact CD1-CG1 4.43Å; L48-I71 HydrophobicContact CD2-CD1 3.94Å; L48-I71 HydrophobicContact CD2-CG1 4.02Å; L48-I71 HydrophobicContact CG-CD1 4.5Å; L48-I71 HydrophobicContact CG-CG1 4.06Å; L48-I85 HydrophobicContact CD1-CD1 4.22Å; L48-I85 HydrophobicContact CD1-CG2 4.02Å; L48-F132 HydrophobicContact CD2-CB 4Å; L48-F132 HydrophobicContact CD2-CD1 3.81Å; L48-F132 HydrophobicContact CD2-CG 3.94Å; L48-P137 HydrophobicContact CD2-CB 4.38Å
49	P	96.1	Very high	84.9	Confident	45 Å²	45	58.4 Å²	58.4	29%	0.292	34%	0.344	S	S	.	.	S	Bend	trans	-69.8	152.9	178.2	29.1	-34.5	0	0	0	112.2	F132 P137	P49-F132 HydrophobicContact CG-CE2 4.16Å; P49-F132 HydrophobicContact CG-CZ 4.41Å; P49-P137 HydrophobicContact CG-CB 3.67Å; P49-P137 HydrophobicContact CG-CG 3.39Å
50	G	93.2	Very high	82.8	Confident	33 Å²	33	56.5 Å²	56.5	34%	0.34	36%	0.357	S	S	.	.			trans	81.2	172.5	179.8	0	0	0	0	0	114.1	N388	G50-N388 WeakPolarHBondContact CA-OD1 3.33Å; G50-N388 VanDerWaalsContact N-CG 3.3Å; G50-N388 PolarHBondContact N-ND2 2.92Å; G50-N388 PolarHBondContact N-OD1 2.99Å
51	F	93.5	Very high	80.9	Confident	89 Å²	89	60.2 Å²	60.2	39%	0.39	38%	0.378	S	S	.	.			trans	-147.7	159.1	173.5	59.6	-89.7	0	0	0	110	R66 K67 Y68 N388	F51-R66 HydrophobicContact CB-CB 4.36Å; F51-R66 HydrophobicContact CD2-CB 4.04Å; F51-R66 HydrophobicContact CD2-CG 3.7Å; F51-R66 HydrophobicContact CE2-CG 3.97Å; F51-R66 HydrophobicContact CG-CB 4.37Å; F51-R66 HydrophobicContact CG-CG 4.36Å; F51-K67 CarbonylContact C-O 3.56Å; F51-K67 VanDerWaalsContact CA-O 3.32Å; F51-K67 WeakPolarHBondContact CA-O 3.35Å; F51-Y68 HydrophobicContact CB-CD1 3.72Å; F51-Y68 HydrophobicContact CB-CE1 3.61Å; F51-Y68 HydrophobicContact CB-CG 4.43Å; F51-Y68 HydrophobicContact CD1-CE1 4.18Å; F51-Y68 HydrophobicContact CG-CE1 4.14Å; F51-N388 HydrophobicContact CD1-CB 4.01Å
52	S	91.4	Very high	78.9	Confident	66 Å²	66	63.8 Å²	63.8	46%	0.462	40%	0.403	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-107.8	130.3	171.1	-60.5	0	0	0	0	109.7	K67	S52-K67 PolarHBondContact N-O 3.22Å; S52-K67 PolarHBondContact O-N 3.15Å
53	P	89.1	Confident	77.2	Confident	100 Å²	100	68.3 Å²	68.3	65%	0.649	43%	0.427	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-67.3	137	177.1	28.2	-33.5	0	0	0	110.4
54	I	84.1	Confident	76.3	Confident	52 Å²	52	73.5 Å²	73.5	27%	0.267	45%	0.45	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-98.2	121	170.6	-58.2	172.6	0	0	0	106.6	G65 K67 A89	I54-G65 PolarHBondContact N-O 3.36Å; I54-G65 PolarHBondContact O-N 2.95Å; I54-G65 VanDerWaalsContact O-N 3.15Å; I54-K67 HydrophobicContact CD1-CB 3.99Å; I54-K67 HydrophobicContact CG1-CB 3.99Å; I54-A89 HydrophobicContact CD1-CB 3.37Å
55	T	75.9	Confident	75.6	Confident	130 Å²	130	74 Å²	74	80%	0.798	46%	0.455	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-118.4	102.1	172.1	49.5	0	0	0	0	107.9
56	G	62	Low	75.3	Confident	33 Å²	33	79.5 Å²	79.5	34%	0.34	48%	0.476	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-119.6	117.9	176.2	0	0	0	0	0	110	L63	G56-L63 PolarHBondContact N-O 2.93Å; G56-L63 WeakPolarHBondContact O-CB 3.09Å; G56-L63 PolarHBondContact O-N 3.27Å
57	G	49.4	Very low	75	Confident	67 Å²	67	81 Å²	81	69%	0.691	48%	0.482	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-112.5	103.8	171.3	0	0	0	0	0	110.1
58	C	39.1	Very low	74.8	Confident	102 Å²	102	81.1 Å²	81.1	69%	0.689	48%	0.483	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-121.2	130.6	163.1	-87.9	0	0	0	0	108.1	G60	C58-G60 PolarHBondContact O-N 3.37Å
59	F	43.4	Very low	74.8	Confident	217 Å²	217	86.2 Å²	86.2	95%	0.952	50%	0.501	S	S	*	.	T	Hydrogen-bonded Turn	trans	55.1	39.8	177.9	-59.4	-76	0	0	0	116.7	Q61	F59-Q61 VanDerWaalsContact C-N 3.31Å; F59-Q61 PolarHBondContact O-N 2.83Å
60	G	46.6	Very low	74.9	Confident	84 Å²	84	84.1 Å²	84.1	87%	0.866	49%	0.488	S	S	*	.	T	Hydrogen-bonded Turn	trans	78.8	6.1	167.4	0	0	0	0	0	115.9	C58	C58-G60 PolarHBondContact O-N 3.37Å
61	Q	53.7	Low	75.1	Confident	157 Å²	157	82.5 Å²	82.5	73%	0.734	47%	0.471	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-106.8	122.3	166	-65.6	-178.2	6.6	0	0	109.2	F59 L63	F59-Q61 VanDerWaalsContact C-N 3.31Å; F59-Q61 PolarHBondContact O-N 2.83Å; Q61-L63 PolarHBondContact O-N 3.24Å
62	S	53.1	Low	75.3	Confident	92 Å²	92	78.3 Å²	78.3	64%	0.643	45%	0.453	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-75.3	104.4	170.8	51.9	0	0	0	0	108.5	E64	S62-E64 PolarHBondContact O-N 2.86Å
63	L	61.6	Low	75.6	Confident	97 Å²	97	75.1 Å²	75.1	51%	0.508	43%	0.431	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-78.3	97.5	168.6	-150.6	88.6	0	0	0	107.1	G56 Q61	G56-L63 PolarHBondContact N-O 2.93Å; G56-L63 WeakPolarHBondContact O-CB 3.09Å; G56-L63 PolarHBondContact O-N 3.27Å; Q61-L63 PolarHBondContact O-N 3.24Å
64	E	78.1	Confident	75.9	Confident	131 Å²	131	70.6 Å²	70.6	61%	0.612	40%	0.401	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-86.1	131.3	169.9	-67	-174.8	-179.4	0	0	108.8	S62 S92	S62-E64 PolarHBondContact O-N 2.86Å; E64-S92 VanDerWaalsContact O-CB 3.32Å; E64-S92 WeakPolarHBondContact O-CB 3.49Å; E64-S92 PolarHBondContact O-N 2.89Å
65	G	85.3	Confident	76.3	Confident	10 Å²	10	70.8 Å²	70.8	10%	0.103	40%	0.401	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-152.4	175.8	178	0	0	0	0	0	111.6	I54 M90	I54-G65 PolarHBondContact N-O 3.36Å; I54-G65 PolarHBondContact O-N 2.95Å; I54-G65 VanDerWaalsContact O-N 3.15Å; G65-M90 CarbonylContact C-O 3.57Å; G65-M90 WeakPolarHBondContact CA-O 3.26Å
66	R	90.5	Very high	77	Confident	116 Å²	116	64.6 Å²	64.6	44%	0.438	36%	0.363	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-127.9	129.8	177.3	-65.5	178.7	-177.3	174.3	2.1	108.8	F51 Y68 M90	F51-R66 HydrophobicContact CB-CB 4.36Å; F51-R66 HydrophobicContact CD2-CB 4.04Å; F51-R66 HydrophobicContact CD2-CG 3.7Å; F51-R66 HydrophobicContact CE2-CG 3.97Å; F51-R66 HydrophobicContact CG-CB 4.37Å; F51-R66 HydrophobicContact CG-CG 4.36Å; R66-Y68 HydrophobicContact CB-CD2 4.25Å; R66-Y68 HydrophobicContact CB-CE2 3.51Å; R66-Y68 WeakPolarHBondContact CD-OH 3.23Å; R66-M90 PolarHBondContact N-O 3.15Å; R66-M90 PolarHBondContact O-N 2.81Å
67	K	92.5	Very high	78.1	Confident	68 Å²	68	66.6 Å²	66.6	30%	0.296	37%	0.372	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-94	115	171.9	-171.6	172.5	176	172.6	0	108.5	F51 S52 I54 S87 V88 D118	F51-K67 CarbonylContact C-O 3.56Å; F51-K67 VanDerWaalsContact CA-O 3.32Å; F51-K67 WeakPolarHBondContact CA-O 3.35Å; S52-K67 PolarHBondContact N-O 3.22Å; S52-K67 PolarHBondContact O-N 3.15Å; I54-K67 HydrophobicContact CD1-CB 3.99Å; I54-K67 HydrophobicContact CG1-CB 3.99Å; K67-S87 WeakPolarHBondContact CE-OG 3.4Å; K67-S87 PolarHBondContact NZ-OG 3.33Å; K67-V88 CarbonylContact C-O 3.48Å; K67-V88 VanDerWaalsContact CA-O 3.28Å; K67-V88 WeakPolarHBondContact CA-O 3.27Å; K67-D118 IonicContact NZ-OD1 3.84Å
68	Y	95.5	Very high	79.9	Confident	6 Å²	6	71.5 Å²	71.5	2%	0.024	38%	0.382	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-100.8	160.2	175.1	-61.7	-83.1	0	0	0	110	W47 F51 R66 S87 V88 M90 N386 N388 A389 M392	W47-Y68 VanDerWaalsContact CZ3-CB 3.42Å; W47-Y68 HydrophobicContact CZ3-CG 4.32Å; F51-Y68 HydrophobicContact CB-CD1 3.72Å; F51-Y68 HydrophobicContact CB-CE1 3.61Å; F51-Y68 HydrophobicContact CB-CG 4.43Å; F51-Y68 HydrophobicContact CD1-CE1 4.18Å; F51-Y68 HydrophobicContact CG-CE1 4.14Å; R66-Y68 HydrophobicContact CB-CD2 4.25Å; R66-Y68 HydrophobicContact CB-CE2 3.51Å; R66-Y68 WeakPolarHBondContact CD-OH 3.23Å; Y68-S87 CarbonylContact O-C 3.59Å; Y68-S87 WeakPolarHBondContact O-CA 3.44Å; Y68-V88 PolarHBondContact N-O 2.81Å; Y68-V88 PolarHBondContact O-N 2.95Å; Y68-M90 HydrophobicContact CD2-CB 4.22Å; Y68-M90 HydrophobicContact CD2-CG 3.86Å; Y68-M90 HydrophobicContact CE2-CB 4.04Å; Y68-M90 HydrophobicContact CE2-CG 4.06Å; Y68-N386 VanDerWaalsContact CD1-ND2 3.3Å; Y68-N386 WeakPolarHBondContact CD1-ND2 3.39Å; Y68-N386 WeakPolarHBondContact CE1-ND2 3.46Å; Y68-N388 HydrophobicContact CD1-CB 4.49Å; Y68-N388 HydrophobicContact CE1-CB 3.9Å; Y68-A389 HydrophobicContact CE1-CB 4.42Å; Y68-M392 HydrophobicContact CE2-SD 4.39Å
69	R	97	Very high	82.3	Confident	116 Å²	116	71.8 Å²	71.8	44%	0.438	37%	0.373	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-127.5	150.6	176.6	-67.1	-177.1	-66.1	170.3	1.9	110.3	L48 I85 A86	L48-R69 HydrophobicContact CB-CB 4.23Å; L48-R69 WeakPolarHBondContact CB-O 3.4Å; L48-R69 HydrophobicContact CD1-CB 3.98Å; L48-R69 PolarHBondContact N-O 3.4Å; R69-I85 HydrophobicContact CB-CG2 4.45Å; R69-A86 CarbonylContact C-O 3.56Å; R69-A86 VanDerWaalsContact CA-O 3.25Å; R69-A86 WeakPolarHBondContact CA-O 3.35Å
70	M	97.8	Very high	84.6	Confident	0 Å²	0	64.4 Å²	64.4	0%	0	35%	0.347	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-143.9	160.2	178.5	68.3	-169	79.1	0	0	111.2	V45 Q46 W47 L72 I85 A86 V88 L402 I404	V45-M70 HydrophobicContact CG2-SD 4.26Å; Q46-M70 CarbonylContact O-C 3.56Å; Q46-M70 VanDerWaalsContact O-CA 3.22Å; Q46-M70 WeakPolarHBondContact O-CA 3.37Å; Q46-M70 WeakPolarHBondContact O-CB 3.43Å; W47-M70 HydrophobicContact CE3-CB 4.05Å; W47-M70 HydrophobicContact CE3-CE 4.11Å; W47-M70 HydrophobicContact CH2-CE 3.44Å; W47-M70 VanDerWaalsContact CH2-CE 3.44Å; W47-M70 HydrophobicContact CZ2-CE 4.22Å; W47-M70 HydrophobicContact CZ3-CB 4.39Å; W47-M70 HydrophobicContact CZ3-CE 3.33Å; M70-L72 HydrophobicContact CG-CG 4.34Å; M70-I85 WeakPolarHBondContact O-CA 3.33Å; M70-A86 HydrophobicContact CG-CB 3.99Å; M70-A86 PolarHBondContact N-O 2.74Å; M70-A86 PolarHBondContact O-N 2.97Å; M70-V88 HydrophobicContact CE-CB 4.23Å; M70-V88 HydrophobicContact CE-CG1 3.74Å; M70-L402 HydrophobicContact SD-CD1 4.34Å; M70-L402 HydrophobicContact SD-CD2 3.89Å; M70-I404 HydrophobicContact CE-CD1 3.4Å; M70-I404 VanDerWaalsContact CE-CD1 3.4Å; M70-I404 HydrophobicContact CE-CG1 4.3Å; M70-I404 HydrophobicContact SD-CD1 4.42Å
71	I	98.1	Very high	86.8	Confident	0 Å²	0	61 Å²	61	0%	0	31%	0.309	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-93.7	134.6	171.9	-54.9	170	0	0	0	107.9	V45 Q46 L48 L83 M84 I85 A130 F132 I140	V45-I71 WeakPolarHBondContact CA-O 3.36Å; Q46-I71 HydrophobicContact CB-CB 4.48Å; Q46-I71 HydrophobicContact CB-CD1 4.44Å; Q46-I71 PolarHBondContact N-O 2.82Å; Q46-I71 PolarHBondContact O-N 3.23Å; L48-I71 HydrophobicContact CD1-CG1 4.43Å; L48-I71 HydrophobicContact CD2-CD1 3.94Å; L48-I71 HydrophobicContact CD2-CG1 4.02Å; L48-I71 HydrophobicContact CG-CD1 4.5Å; L48-I71 HydrophobicContact CG-CG1 4.06Å; I71-L83 HydrophobicContact CG2-CD1 3.63Å; I71-M84 WeakPolarHBondContact CA-O 3.44Å; I71-I85 HydrophobicContact CG1-CD1 3.95Å; I71-A130 HydrophobicContact CG2-CB 3.65Å; I71-F132 HydrophobicContact CD1-CB 4Å; I71-F132 HydrophobicContact CD1-CD1 4.11Å; I71-I140 HydrophobicContact CD1-CD1 3.63Å; I71-I140 HydrophobicContact CD1-CG1 3.99Å; I71-I140 HydrophobicContact CD1-CG2 4.33Å; I71-I140 HydrophobicContact CG1-CD1 3.84Å
72	L	97.9	Very high	88.8	Confident	0 Å²	0	55.5 Å²	55.5	0%	0	28%	0.282	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-130.5	156.8	169.5	-68	169.3	0	0	0	109	L38 V45 M70 M84 A86 V396 L402	L38-L72 HydrophobicContact CD2-CD1 4.07Å; V45-L72 HydrophobicContact CB-CD2 4.07Å; V45-L72 HydrophobicContact CG2-CD2 3.68Å; M70-L72 HydrophobicContact CG-CG 4.34Å; L72-M84 HydrophobicContact CB-CB 4.36Å; L72-M84 HydrophobicContact CB-CE 4.18Å; L72-M84 PolarHBondContact N-O 3.41Å; L72-M84 PolarHBondContact O-N 2.82Å; L72-A86 HydrophobicContact CD1-CB 3.76Å; L72-V396 HydrophobicContact CD2-CG1 3.87Å; L72-L402 HydrophobicContact CD1-CD2 4.16Å
73	G	96.6	Very high	90.8	Very high	0 Å²	0	51.1 Å²	51.1	0%	0	25%	0.251	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-141.9	130.3	178	0	0	0	0	0	110.3	S42 Y82	S42-G73 VanDerWaalsContact CA-O 3.22Å; S42-G73 WeakPolarHBondContact CA-O 3.08Å; S42-G73 WeakPolarHBondContact CB-O 3.4Å; S42-G73 PolarHBondContact OG-N 2.91Å; S42-G73 PolarHBondContact OG-O 2.83Å; G73-Y82 WeakPolarHBondContact CA-O 3.06Å
74	T	95.5	Very high	92.4	Very high	4 Å²	4	47.2 Å²	47.2	3%	0.025	23%	0.23	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-77.6	148.4	-176.3	63.4	0	0	0	0	112.1	N81 Y82 M84 V127	T74-N81 VanDerWaalsContact C-OD1 3.29Å; T74-N81 PolarHBondContact O-OD1 3.42Å; T74-N81 WeakPolarHBondContact OG1-CA 3.29Å; T74-N81 WeakPolarHBondContact OG1-CB 3.41Å; T74-N81 PolarHBondContact OG1-OD1 2.75Å; T74-Y82 HydrophobicContact CG2-CD2 4.25Å; T74-Y82 PolarHBondContact N-O 2.98Å; T74-Y82 PolarHBondContact OG1-N 3.38Å; T74-M84 HydrophobicContact CG2-CE 3.64Å; T74-M84 HydrophobicContact CG2-SD 4.29Å; T74-V127 PolarHBondContact O-N 3.08Å; T74-V127 VanDerWaalsContact O-N 3.09Å
75	H	93.4	Very high	93.3	Very high	56 Å²	56	41.4 Å²	41.4	26%	0.259	20%	0.204	S	C	.	.			trans	-121.4	75.4	168.5	178.8	-175	0	0	0	108.8	P41 L43 E126	P41-H75 WeakPolarHBondContact CD-O 3.45Å; P41-H75 HydrophobicContact CG-CB 4.18Å; P41-H75 WeakPolarHBondContact CG-O 3.42Å; P41-H75 PolarHBondContact O-N 3.38Å; L43-H75 HydrophobicContact CD1-CB 4.24Å; L43-H75 WeakPolarHBondContact CD1-ND1 3.17Å; L43-H75 WeakPolarHBondContact CD2-ND1 3.21Å; L43-H75 HydrophobicContact CG-CB 3.94Å; L43-H75 WeakPolarHBondContact CG-ND1 3.14Å; H75-E126 IonicContact CD2-OE1 2.68Å; H75-E126 IonicContact CD2-OE2 2.96Å; H75-E126 PolarHBondContact CD2-OE2 3.11Å; H75-E126 IonicContact CG-OE2 2.99Å; H75-E126 IonicContact NE2-OE1 3.3Å; H75-E126 IonicContact NE2-OE2 3.14Å; H75-E126 PolarHBondContact NE2-OE2 3.22Å; H75-E126 VanDerWaalsContact NE2-OE2 3.14Å
76	A	90.3	Very high	93.8	Very high	1 Å²	1	40.9 Å²	40.9	1%	0.008	20%	0.199	C	C	.	.			trans	-108.4	129.3	-177.1	0	0	0	0	0	111.4	W40 E79 N81	W40-A76 HydrophobicContact CB-CB 4.19Å; W40-A76 HydrophobicContact CD2-CB 3.51Å; W40-A76 HydrophobicContact CE3-CB 3.84Å; W40-A76 HydrophobicContact CG-CB 3.63Å; A76-E79 HydrophobicContact CB-CB 4.05Å; A76-N81 PolarHBondContact N-OD1 2.78Å; A76-N81 PolarHBondContact O-ND2 3.16Å
77	S	85.6	Confident	94	Very high	75 Å²	75	35.4 Å²	35.4	52%	0.524	18%	0.178	S	C	.	.	S	Bend	trans	-85.3	125.5	173.8	-51.6	0	0	0	0	110.9	E79	S77-E79 PolarHBondContact O-N 2.87Å; S77-E79 VanDerWaalsContact O-N 3.15Å
78	N	85.9	Confident	94	Very high	170 Å²	170	32.2 Å²	32.2	91%	0.909	16%	0.164	S	C	*	.	S	Bend	trans	65.4	3	178.6	-51.3	-58.3	0	0	0	116.8
79	E	90.6	Very high	93.7	Very high	108 Å²	108	33.2 Å²	33.2	51%	0.505	17%	0.174	S	C	.	.	S	Bend	trans	-111.4	158.8	173.5	-72	-66.1	161.3	0	0	109.9	W40 A76 S77 N81	W40-E79 HydrophobicContact CH2-CG 4.13Å; W40-E79 HydrophobicContact CZ2-CB 4.08Å; W40-E79 HydrophobicContact CZ2-CG 3.67Å; A76-E79 HydrophobicContact CB-CB 4.05Å; S77-E79 PolarHBondContact O-N 2.87Å; S77-E79 VanDerWaalsContact O-N 3.15Å; E79-N81 PolarHBondContact O-N 3.42Å; E79-N81 PolarHBondContact O-ND2 3.36Å
80	P	90.6	Very high	93.2	Very high	61 Å²	61	28.6 Å²	28.6	40%	0.396	16%	0.158	S	C	.	.			trans	-62.9	135.6	177.2	26	-32.7	0	0	0	110.3	Y82	P80-Y82 HydrophobicContact CB-CE1 4.48Å; P80-Y82 HydrophobicContact CB-CE2 4.18Å; P80-Y82 HydrophobicContact CG-CE2 3.99Å; P80-Y82 WeakPolarHBondContact CG-OH 3.32Å; P80-Y82 WeakPolarHBondContact O-CD2 3.38Å; P80-Y82 WeakPolarHBondContact O-CE2 3.13Å
81	N	94	Very high	92.2	Very high	13 Å²	13	30.1 Å²	30.1	7%	0.07	17%	0.167	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-96.2	151.8	177.3	-79.5	-77.7	0	0	0	111.2	T74 A76 E79 H123 G125	T74-N81 VanDerWaalsContact C-OD1 3.29Å; T74-N81 PolarHBondContact O-OD1 3.42Å; T74-N81 WeakPolarHBondContact OG1-CA 3.29Å; T74-N81 WeakPolarHBondContact OG1-CB 3.41Å; T74-N81 PolarHBondContact OG1-OD1 2.75Å; A76-N81 PolarHBondContact N-OD1 2.78Å; A76-N81 PolarHBondContact O-ND2 3.16Å; E79-N81 PolarHBondContact O-N 3.42Å; E79-N81 PolarHBondContact O-ND2 3.36Å; N81-H123 PolarHBondContact O-N 3.06Å; N81-G125 WeakPolarHBondContact CB-O 3.26Å
82	Y	94.7	Very high	90.9	Very high	42 Å²	42	32.8 Å²	32.8	17%	0.165	19%	0.186	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-137.2	138.7	-172.7	-55.7	-77.6	0	0	0	112.3	G73 T74 P80 R120 I121 N122	G73-Y82 WeakPolarHBondContact CA-O 3.06Å; T74-Y82 HydrophobicContact CG2-CD2 4.25Å; T74-Y82 PolarHBondContact N-O 2.98Å; T74-Y82 PolarHBondContact OG1-N 3.38Å; P80-Y82 HydrophobicContact CB-CE1 4.48Å; P80-Y82 HydrophobicContact CB-CE2 4.18Å; P80-Y82 HydrophobicContact CG-CE2 3.99Å; P80-Y82 WeakPolarHBondContact CG-OH 3.32Å; P80-Y82 WeakPolarHBondContact O-CD2 3.38Å; P80-Y82 WeakPolarHBondContact O-CE2 3.13Å; Y82-R120 HydrophobicContact CD1-CG 3.28Å; Y82-R120 HydrophobicContact CD2-CG 4.21Å; Y82-R120 HydrophobicContact CE1-CG 3.86Å; Y82-R120 HydrophobicContact CG-CG 3.47Å; Y82-R120 VanDerWaalsContact CG-CG 3.47Å; Y82-I121 CarbonylContact C-O 3.53Å; Y82-I121 WeakPolarHBondContact CA-O 3.43Å; Y82-N122 WeakPolarHBondContact CE1-OD1 3.28Å
83	L	95.3	Very high	89.1	Confident	0 Å²	0	35.1 Å²	35.1	0%	0	20%	0.2	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-86	125.9	155.8	174.1	67.2	0	0	0	107.5	I71 I121 A130 I140 T142 F152	I71-L83 HydrophobicContact CG2-CD1 3.63Å; L83-I121 HydrophobicContact CB-CB 4.29Å; L83-I121 HydrophobicContact CD2-CD1 4.07Å; L83-I121 HydrophobicContact CG-CD1 4.43Å; L83-I121 PolarHBondContact N-O 3.35Å; L83-I121 PolarHBondContact O-N 2.94Å; L83-A130 HydrophobicContact CD1-CB 3.86Å; L83-I140 HydrophobicContact CD1-CG2 4.3Å; L83-I140 HydrophobicContact CD2-CB 4.37Å; L83-I140 HydrophobicContact CD2-CG2 3.98Å; L83-T142 HydrophobicContact CD1-CG2 3.96Å; L83-T142 HydrophobicContact CD2-CG2 3.88Å; L83-T142 HydrophobicContact CG-CG2 4.42Å; L83-F152 HydrophobicContact CD2-CB 4.21Å; L83-F152 HydrophobicContact CD2-CD2 3.56Å; L83-F152 HydrophobicContact CD2-CE2 4.09Å; L83-F152 HydrophobicContact CD2-CG 3.96Å
84	M	95.3	Very high	86.8	Confident	14 Å²	14	42.2 Å²	42.2	7%	0.069	24%	0.238	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-123.6	141.8	-174.1	-62.4	-175.3	-62.4	0	0	111.5	I71 L72 T74 I117 L119 R120	I71-M84 WeakPolarHBondContact CA-O 3.44Å; L72-M84 HydrophobicContact CB-CB 4.36Å; L72-M84 HydrophobicContact CB-CE 4.18Å; L72-M84 PolarHBondContact N-O 3.41Å; L72-M84 PolarHBondContact O-N 2.82Å; T74-M84 HydrophobicContact CG2-CE 3.64Å; T74-M84 HydrophobicContact CG2-SD 4.29Å; M84-I117 HydrophobicContact CB-CG2 4.31Å; M84-I117 HydrophobicContact CG-CG2 4.36Å; M84-I117 HydrophobicContact SD-CD1 4.36Å; M84-I117 HydrophobicContact SD-CG2 4.19Å; M84-L119 CarbonylContact C-O 3.35Å; M84-L119 VanDerWaalsContact CA-O 3.26Å; M84-L119 WeakPolarHBondContact CA-O 3.48Å; M84-R120 HydrophobicContact CG-CB 4.47Å; M84-R120 HydrophobicContact CG-CG 4.22Å
85	I	96.3	Very high	84.2	Confident	9 Å²	9	51.4 Å²	51.4	5%	0.046	28%	0.278	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-104.4	114.8	162.9	-54.2	-54.5	0	0	0	106.8	L48 R69 M70 I71 D118 L119 I140 T154	L48-I85 HydrophobicContact CD1-CD1 4.22Å; L48-I85 HydrophobicContact CD1-CG2 4.02Å; R69-I85 HydrophobicContact CB-CG2 4.45Å; M70-I85 WeakPolarHBondContact O-CA 3.33Å; I71-I85 HydrophobicContact CG1-CD1 3.95Å; I85-D118 PolarHBondContact O-N 2.81Å; I85-L119 HydrophobicContact CB-CB 4.05Å; I85-L119 HydrophobicContact CG1-CB 4.21Å; I85-L119 HydrophobicContact CG1-CD2 4.28Å; I85-L119 PolarHBondContact N-O 3.15Å; I85-L119 PolarHBondContact O-N 2.89Å; I85-I140 HydrophobicContact CD1-CD1 3.61Å; I85-T154 HydrophobicContact CD1-CG2 4.29Å; I85-T154 HydrophobicContact CG1-CG2 4.21Å
86	A	95.5	Very high	81.7	Confident	0 Å²	0	53.9 Å²	53.9	0%	0	29%	0.285	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-103.1	153.2	175.4	0	0	0	0	0	109.8	R69 M70 L72 L115 D116 I117	R69-A86 CarbonylContact C-O 3.56Å; R69-A86 VanDerWaalsContact CA-O 3.25Å; R69-A86 WeakPolarHBondContact CA-O 3.35Å; M70-A86 HydrophobicContact CG-CB 3.99Å; M70-A86 PolarHBondContact N-O 2.74Å; M70-A86 PolarHBondContact O-N 2.97Å; L72-A86 HydrophobicContact CD1-CB 3.76Å; A86-L115 HydrophobicContact CB-CD1 4.44Å; A86-L115 HydrophobicContact CB-CD2 4.16Å; A86-L115 HydrophobicContact CB-CG 4.33Å; A86-D116 CarbonylContact C-O 3.58Å; A86-D116 VanDerWaalsContact CA-O 3.28Å; A86-D116 WeakPolarHBondContact CA-O 3.31Å; A86-I117 HydrophobicContact CB-CD1 3.76Å
87	S	94.7	Very high	79.4	Confident	1 Å²	1	62.2 Å²	62.2	1%	0.007	32%	0.321	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-130.1	144.1	175.6	67.6	0	0	0	0	111.1	K67 Y68 L115 D116 D118	K67-S87 WeakPolarHBondContact CE-OG 3.4Å; K67-S87 PolarHBondContact NZ-OG 3.33Å; Y68-S87 CarbonylContact O-C 3.59Å; Y68-S87 WeakPolarHBondContact O-CA 3.44Å; S87-L115 CarbonylContact O-C 3.49Å; S87-L115 VanDerWaalsContact O-CA 3.27Å; S87-L115 WeakPolarHBondContact O-CA 3.34Å; S87-D116 PolarHBondContact N-O 3.06Å; S87-D116 PolarHBondContact O-N 3.43Å; S87-D118 WeakPolarHBondContact CB-OD1 3.24Å; S87-D118 VanDerWaalsContact CB-OD2 3.25Å; S87-D118 WeakPolarHBondContact CB-OD2 3.23Å; S87-D118 PolarHBondContact OG-OD1 3.03Å; S87-D118 PolarHBondContact OG-OD2 3.4Å
88	V	93	Very high	77	Confident	0 Å²	0	61.7 Å²	61.7	0%	0	33%	0.328	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-130.4	132.3	-177.2	63.2	0	0	0	0	110.5	L34 W47 K67 Y68 M70 M90 L114 I404	L34-V88 HydrophobicContact CD2-CG2 3.64Å; W47-V88 HydrophobicContact CH2-CG1 3.72Å; W47-V88 HydrophobicContact CZ3-CG1 3.77Å; K67-V88 CarbonylContact C-O 3.48Å; K67-V88 VanDerWaalsContact CA-O 3.28Å; K67-V88 WeakPolarHBondContact CA-O 3.27Å; Y68-V88 PolarHBondContact N-O 2.81Å; Y68-V88 PolarHBondContact O-N 2.95Å; M70-V88 HydrophobicContact CE-CB 4.23Å; M70-V88 HydrophobicContact CE-CG1 3.74Å; V88-M90 HydrophobicContact CG2-SD 4.07Å; V88-L114 VanDerWaalsContact CA-O 3.24Å; V88-L114 WeakPolarHBondContact CA-O 3.38Å; V88-I404 HydrophobicContact CB-CD1 4.04Å; V88-I404 HydrophobicContact CG1-CD1 3.91Å; V88-I404 HydrophobicContact CG2-CD1 3.88Å
89	A	89.8	Confident	74.5	Confident	28 Å²	28	62.5 Å²	62.5	23%	0.231	33%	0.326	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-90.9	114.9	173.4	0	0	0	0	0	110.4	I54 L114	I54-A89 HydrophobicContact CD1-CB 3.37Å; A89-L114 HydrophobicContact CB-CD2 4.37Å; A89-L114 PolarHBondContact N-O 3.06Å
90	M	85.9	Confident	71.9	Confident	19 Å²	19	61 Å²	61	9%	0.094	32%	0.321	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-103.8	119.2	173.3	-62.4	-59.3	-74.4	0	0	109.6	A32 G65 R66 Y68 V88 M392 I404	A32-M90 HydrophobicContact CB-CE 3.67Å; G65-M90 CarbonylContact C-O 3.57Å; G65-M90 WeakPolarHBondContact CA-O 3.26Å; R66-M90 PolarHBondContact N-O 3.15Å; R66-M90 PolarHBondContact O-N 2.81Å; Y68-M90 HydrophobicContact CD2-CB 4.22Å; Y68-M90 HydrophobicContact CD2-CG 3.86Å; Y68-M90 HydrophobicContact CE2-CB 4.04Å; Y68-M90 HydrophobicContact CE2-CG 4.06Å; V88-M90 HydrophobicContact CG2-SD 4.07Å; M90-M392 HydrophobicContact CE-CE 3.86Å; M90-M392 HydrophobicContact CG-CE 4.25Å; M90-M392 HydrophobicContact CG-SD 4.41Å; M90-I404 HydrophobicContact CE-CG2 4.5Å; M90-I404 HydrophobicContact SD-CG2 4.47Å
91	P	77.5	Confident	69.2	Low	31 Å²	31	64.7 Å²	64.7	20%	0.201	34%	0.337	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-67.4	146.1	172.7	27.8	-31.1	0	0	0	110.2	V93 T107	P91-V93 PolarHBondContact O-N 2.99Å; P91-T107 HydrophobicContact CG-CG2 4Å
92	S	70.2	Confident	66.5	Low	57 Å²	57	72.7 Å²	72.7	40%	0.399	37%	0.374	S	S	.	.	P	Polyproline II helix	trans	-68.9	131.1	169.6	-171.5	0	0	0	0	109.2	E64 D94	E64-S92 VanDerWaalsContact O-CB 3.32Å; E64-S92 WeakPolarHBondContact O-CB 3.49Å; E64-S92 PolarHBondContact O-N 2.89Å; S92-D94 VanDerWaalsContact C-N 3.27Å; S92-D94 PolarHBondContact O-N 2.95Å
93	V	59.7	Low	63.7	Low	49 Å²	49	79.7 Å²	79.7	30%	0.297	41%	0.409	S	S	.	.			trans	-80.8	-6.2	-172.8	-173.6	0	0	0	0	112.2	P91 K95 R96	P91-V93 PolarHBondContact O-N 2.99Å; V93-K95 PolarHBondContact O-N 2.65Å; V93-R96 PolarHBondContact O-N 2.95Å
94	D	48.7	Very low	60.7	Low	149 Å²	149	86.3 Å²	86.3	80%	0.797	44%	0.439	S	S	*	.	T	Hydrogen-bonded Turn	trans	-60	1.1	-165.9	-91	-8.7	0	0	0	117.7	S92	S92-D94 VanDerWaalsContact C-N 3.27Å; S92-D94 PolarHBondContact O-N 2.95Å
95	K	41.5	Very low	57.7	Low	196 Å²	196	90.5 Å²	90.5	85%	0.852	46%	0.458	S	S	*	.	T	Hydrogen-bonded Turn	trans	-141.4	9.6	178.7	-69	-170.7	179.3	173.7	0	117.6	V93	V93-K95 PolarHBondContact O-N 2.65Å
96	R	40.7	Very low	55.2	Low	109 Å²	109	91.5 Å²	91.5	41%	0.411	47%	0.47	S	S	.	.			trans	-101.7	4.3	-176.6	-92.2	-170.9	-94	-174.8	-3	117	V93 G98 L100	V93-R96 PolarHBondContact O-N 2.95Å; R96-G98 PolarHBondContact O-N 2.92Å; R96-L100 HydrophobicContact CB-CD1 3.99Å; R96-L100 HydrophobicContact CG-CD1 4.18Å; R96-L100 WeakPolarHBondContact O-CD1 3.27Å
97	K	41.3	Very low	52.8	Low	175 Å²	175	93.2 Å²	93.2	76%	0.761	48%	0.481	S	S	*	.	S	Bend	trans	-79.2	1.6	169.5	-72.7	-172.6	177.2	174.7	0	114.3	D31	D31-K97 IonicContact OD1-NZ 3.62Å
98	G	36.4	Very low	50.3	Low	65 Å²	65	97.3 Å²	97.3	67%	0.67	50%	0.498	S	S	*	.	S	Bend	trans	-97.3	-28.8	-171.6	0	0	0	0	0	117.7	R96	R96-G98 PolarHBondContact O-N 2.92Å
99	E	33.6	Very low	48	Very low	186 Å²	186	98.9 Å²	98.9	87%	0.869	51%	0.511	S	S	*	.	S	Bend	trans	-151.9	26.6	-168.2	-69.3	-173.2	158.4	0	0	114.1
100	L	36	Very low	45.7	Very low	76 Å²	76	103.5 Å²	103.5	40%	0.398	54%	0.542	S	S	.	.			trans	-91	118.1	171.7	-67.8	173	0	0	0	108.7	R96	R96-L100 HydrophobicContact CB-CD1 3.99Å; R96-L100 HydrophobicContact CG-CD1 4.18Å; R96-L100 WeakPolarHBondContact O-CD1 3.27Å
101	D	32.6	Very low	43.4	Very low	140 Å²	140	105 Å²	105	75%	0.749	56%	0.563	S	S	*	*			trans	-45	142.8	169.5	-71.3	-44.9	0	0	0	109.1	E103 E104	D101-E103 PolarHBondContact O-N 3.28Å; D101-E104 PolarHBondContact O-N 2.97Å
102	E	38.9	Very low	41.8	Very low	180 Å²	180	111.4 Å²	111.4	84%	0.841	60%	0.595	S	S	*	*	T	Hydrogen-bonded Turn	trans	-52.7	-4.6	-175.3	-63.2	179.7	153.9	0	0	114.7	F105	E102-F105 WeakPolarHBondContact O-CD2 3.32Å; E102-F105 WeakPolarHBondContact O-CE2 3.23Å
103	E	35.1	Very low	41.1	Very low	190 Å²	190	113.3 Å²	113.3	89%	0.888	61%	0.608	S	S	*	*	T	Hydrogen-bonded Turn	trans	-94.3	-13.7	177.1	-59.2	-172.8	171.6	0	0	114.6	D101	D101-E103 PolarHBondContact O-N 3.28Å
104	E	33.1	Very low	41.9	Very low	139 Å²	139	113.5 Å²	113.5	65%	0.65	61%	0.607	S	S	*	*			trans	-120.2	62.2	176.8	-84	-168.6	166.9	0	0	112	D101	D101-E104 PolarHBondContact O-N 2.97Å
105	F	31.8	Very low	43.7	Very low	102 Å²	102	106.6 Å²	106.6	45%	0.447	57%	0.571	S	S	.	*			trans	-70.4	136.4	165.9	-85.2	-98.8	0	0	0	110.9	P27 L28 E102 F108	P27-F105 HydrophobicContact CB-CB 3.3Å; P27-F105 HydrophobicContact CB-CD1 4.1Å; P27-F105 HydrophobicContact CB-CG 3.79Å; P27-F105 HydrophobicContact CG-CB 3.7Å; P27-F105 HydrophobicContact CG-CG 4.5Å; L28-F105 HydrophobicContact CD2-CE1 4.32Å; E102-F105 WeakPolarHBondContact O-CD2 3.32Å; E102-F105 WeakPolarHBondContact O-CE2 3.23Å; F105-F108 WeakPolarHBondContact O-CD2 3.44Å; F105-F108 WeakPolarHBondContact O-CE2 3.43Å
106	G	43.9	Very low	46.1	Very low	30 Å²	30	101.7 Å²	101.7	31%	0.309	55%	0.554	S	S	.	*	S	Bend	trans	74.3	150	174.2	0	0	0	0	0	112.9	F108	G106-F108 PolarHBondContact O-N 3.19Å
107	T	44.7	Very low	48.6	Very low	36 Å²	36	99.2 Å²	99.2	22%	0.221	55%	0.548	C	S	.	.			trans	-73.3	70.9	175.2	-24.3	0	0	0	0	109.9	P91 A109	P91-T107 HydrophobicContact CG-CG2 4Å; T107-A109 PolarHBondContact O-N 3.4Å
108	F	41.4	Very low	51	Low	87 Å²	87	94 Å²	94	38%	0.382	53%	0.529	S	S	.	.			trans	-73.9	73.4	171.6	-76	-88.1	0	0	0	109.7	A26 P27 L33 F105 G106 S110	A26-F108 HydrophobicContact CB-CE1 4.39Å; A26-F108 HydrophobicContact CB-CZ 3.83Å; P27-F108 HydrophobicContact CG-CE2 3.93Å; P27-F108 HydrophobicContact CG-CZ 4.23Å; L33-F108 HydrophobicContact CD2-CE1 3.83Å; L33-F108 HydrophobicContact CD2-CZ 4.2Å; F105-F108 WeakPolarHBondContact O-CD2 3.44Å; F105-F108 WeakPolarHBondContact O-CE2 3.43Å; G106-F108 PolarHBondContact O-N 3.19Å; F108-S110 VanDerWaalsContact C-N 3.27Å; F108-S110 PolarHBondContact O-N 3.36Å
109	A	46.2	Very low	53.6	Low	32 Å²	32	92.3 Å²	92.3	26%	0.264	50%	0.504	S	S	.	.			trans	-78.1	86.8	169.7	0	0	0	0	0	108.8	T107 L114	T107-A109 PolarHBondContact O-N 3.4Å; A109-L114 HydrophobicContact CB-CD1 3.16Å; A109-L114 HydrophobicContact CB-CG 4.07Å
110	S	41	Very low	56.4	Low	125 Å²	125	88.2 Å²	88.2	87%	0.874	48%	0.48	S	S	*	.			trans	-85.7	7.1	161.9	55	0	0	0	0	112.3	F108	F108-S110 VanDerWaalsContact C-N 3.27Å; F108-S110 PolarHBondContact O-N 3.36Å
111	G	37.2	Very low	59.1	Low	52 Å²	52	85.1 Å²	85.1	54%	0.536	46%	0.464	S	S	.	.	S	Bend	trans	-98.1	138.1	-178.8	0	0	0	0	0	113.7
112	D	44.9	Very low	61.8	Low	165 Å²	165	80.2 Å²	80.2	88%	0.882	44%	0.438	S	S	*	.	S	Bend	trans	4.3	101.7	174.9	-74	-19.8	0	0	0	117.9	L114	D112-L114 PolarHBondContact O-N 2.94Å
113	S	54.8	Low	64.4	Low	97 Å²	97	72.2 Å²	72.2	68%	0.678	40%	0.4	S	S	*	.			trans	47.5	59.5	157.1	-73.3	0	0	0	0	117.7	L115	S113-L115 PolarHBondContact O-N 3.14Å
114	L	75.3	Confident	66.9	Low	52 Å²	52	69.2 Å²	69.2	27%	0.272	38%	0.384	S	S	.	.	S	Bend	trans	-61.1	-19.4	157.4	-72.7	-176.1	0	0	0	113	L34 V88 A89 A109 D112	L34-L114 HydrophobicContact CD1-CB 3.81Å; L34-L114 HydrophobicContact CD1-CD1 3.43Å; L34-L114 VanDerWaalsContact CD1-CD1 3.43Å; L34-L114 HydrophobicContact CD1-CG 4.18Å; L34-L114 HydrophobicContact CD2-CB 4.38Å; V88-L114 VanDerWaalsContact CA-O 3.24Å; V88-L114 WeakPolarHBondContact CA-O 3.38Å; A89-L114 HydrophobicContact CB-CD2 4.37Å; A89-L114 PolarHBondContact N-O 3.06Å; A109-L114 HydrophobicContact CB-CD1 3.16Å; A109-L114 HydrophobicContact CB-CG 4.07Å; D112-L114 PolarHBondContact O-N 2.94Å
115	L	88.4	Confident	69.7	Low	5 Å²	5	64.2 Å²	64.2	3%	0.026	37%	0.37	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-108.4	131.1	174.2	-170.8	146.8	0	0	0	111.1	H36 A86 S87 S113 I117 L402	H36-L115 HydrophobicContact CB-CD1 4.47Å; A86-L115 HydrophobicContact CB-CD1 4.44Å; A86-L115 HydrophobicContact CB-CD2 4.16Å; A86-L115 HydrophobicContact CB-CG 4.33Å; S87-L115 CarbonylContact O-C 3.49Å; S87-L115 VanDerWaalsContact O-CA 3.27Å; S87-L115 WeakPolarHBondContact O-CA 3.34Å; S113-L115 PolarHBondContact O-N 3.14Å; L115-I117 HydrophobicContact CD2-CD1 3.81Å; L115-I117 HydrophobicContact CD2-CG1 4.49Å; L115-L402 HydrophobicContact CD1-CD2 3.33Å
116	D	91.7	Very high	72.7	Confident	93 Å²	93	61.5 Å²	61.5	50%	0.497	36%	0.359	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-125.8	144.6	175.4	-171	26	0	0	0	110.5	A86 S87 D118	A86-D116 CarbonylContact C-O 3.58Å; A86-D116 VanDerWaalsContact CA-O 3.28Å; A86-D116 WeakPolarHBondContact CA-O 3.31Å; S87-D116 PolarHBondContact N-O 3.06Å; S87-D116 PolarHBondContact O-N 3.43Å; D116-D118 PolarHBondContact O-N 2.94Å
117	I	92.2	Very high	75.2	Confident	57 Å²	57	60.1 Å²	60.1	29%	0.292	34%	0.344	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-94.4	95.2	176.2	-56.8	-60.3	0	0	0	108.2	M84 A86 L115 L119 R120	M84-I117 HydrophobicContact CB-CG2 4.31Å; M84-I117 HydrophobicContact CG-CG2 4.36Å; M84-I117 HydrophobicContact SD-CD1 4.36Å; M84-I117 HydrophobicContact SD-CG2 4.19Å; A86-I117 HydrophobicContact CB-CD1 3.76Å; L115-I117 HydrophobicContact CD2-CD1 3.81Å; L115-I117 HydrophobicContact CD2-CG1 4.49Å; I117-L119 VanDerWaalsContact C-N 3.33Å; I117-L119 PolarHBondContact O-N 2.9Å; I117-R120 HydrophobicContact CG2-CB 4.37Å
118	D	91.4	Very high	77.7	Confident	66 Å²	66	58.4 Å²	58.4	35%	0.353	33%	0.334	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-65.8	-35.3	-177.5	-66.7	-11.5	0	0	0	112.3	K67 I85 S87 D116	K67-D118 IonicContact NZ-OD1 3.84Å; I85-D118 PolarHBondContact O-N 2.81Å; S87-D118 WeakPolarHBondContact CB-OD1 3.24Å; S87-D118 VanDerWaalsContact CB-OD2 3.25Å; S87-D118 WeakPolarHBondContact CB-OD2 3.23Å; S87-D118 PolarHBondContact OG-OD1 3.03Å; S87-D118 PolarHBondContact OG-OD2 3.4Å; D116-D118 PolarHBondContact O-N 2.94Å
119	L	92.4	Very high	80.4	Confident	29 Å²	29	55.1 Å²	55.1	15%	0.152	32%	0.319	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-147.5	135.4	-176.8	-175	64.4	0	0	0	110.6	M84 I85 I117 I121 T154 L157	M84-L119 CarbonylContact C-O 3.35Å; M84-L119 VanDerWaalsContact CA-O 3.26Å; M84-L119 WeakPolarHBondContact CA-O 3.48Å; I85-L119 HydrophobicContact CB-CB 4.05Å; I85-L119 HydrophobicContact CG1-CB 4.21Å; I85-L119 HydrophobicContact CG1-CD2 4.28Å; I85-L119 PolarHBondContact N-O 3.15Å; I85-L119 PolarHBondContact O-N 2.89Å; I117-L119 VanDerWaalsContact C-N 3.33Å; I117-L119 PolarHBondContact O-N 2.9Å; L119-I121 HydrophobicContact CD2-CD1 3.85Å; L119-I121 HydrophobicContact CD2-CG1 4.03Å; L119-I121 HydrophobicContact CG-CD1 4.31Å; L119-I121 HydrophobicContact CG-CG1 3.95Å; L119-T154 HydrophobicContact CD2-CG2 4.15Å; L119-L157 HydrophobicContact CD2-CB 4.35Å
120	R	91.8	Very high	82.9	Confident	100 Å²	100	53.6 Å²	53.6	38%	0.377	31%	0.306	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-127.4	117.9	174.7	-177	179	-95.4	-168.1	-3.7	108.9	E39 Y82 M84 I117	E39-R120 IonicContact OE2-CZ 3.07Å; E39-R120 IonicContact OE2-NH1 3.2Å; E39-R120 IonicContact OE2-NH2 3.64Å; E39-R120 PolarHBondContact OE2-NH2 2.57Å; Y82-R120 HydrophobicContact CD1-CG 3.28Å; Y82-R120 HydrophobicContact CD2-CG 4.21Å; Y82-R120 HydrophobicContact CE1-CG 3.86Å; Y82-R120 HydrophobicContact CG-CG 3.47Å; Y82-R120 VanDerWaalsContact CG-CG 3.47Å; M84-R120 HydrophobicContact CG-CB 4.47Å; M84-R120 HydrophobicContact CG-CG 4.22Å; I117-R120 HydrophobicContact CG2-CB 4.37Å
121	I	91.8	Very high	85.6	Confident	11 Å²	11	48.7 Å²	48.7	6%	0.056	27%	0.269	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-113.1	122.7	-177	-54.1	167.2	0	0	0	108	Y82 L83 L119 H123 F152 T154 L157	Y82-I121 CarbonylContact C-O 3.53Å; Y82-I121 WeakPolarHBondContact CA-O 3.43Å; L83-I121 HydrophobicContact CB-CB 4.29Å; L83-I121 HydrophobicContact CD2-CD1 4.07Å; L83-I121 HydrophobicContact CG-CD1 4.43Å; L83-I121 PolarHBondContact N-O 3.35Å; L83-I121 PolarHBondContact O-N 2.94Å; L119-I121 HydrophobicContact CD2-CD1 3.85Å; L119-I121 HydrophobicContact CD2-CG1 4.03Å; L119-I121 HydrophobicContact CG-CD1 4.31Å; L119-I121 HydrophobicContact CG-CG1 3.95Å; I121-H123 PolarHBondContact O-N 3.19Å; I121-F152 HydrophobicContact CD1-CB 4.43Å; I121-F152 HydrophobicContact CG2-CD1 3.78Å; I121-F152 HydrophobicContact CG2-CE1 3.79Å; I121-T154 HydrophobicContact CD1-CG2 4.07Å; I121-L157 HydrophobicContact CD1-CD1 3.51Å; I121-L157 HydrophobicContact CG1-CD1 3.9Å; I121-L157 HydrophobicContact CG2-CD1 4.07Å
122	N	90.9	Very high	88.5	Confident	37 Å²	37	47.6 Å²	47.6	20%	0.198	25%	0.249	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-55.6	124.5	173.1	-79.8	-53.2	0	0	0	110.6	Y82 P164 N165	Y82-N122 WeakPolarHBondContact CE1-OD1 3.28Å; N122-P164 PolarHBondContact ND2-O 3.28Å; N122-N165 PolarHBondContact ND2-OD1 2.81Å
123	H	91.8	Very high	91	Very high	11 Å²	11	39.7 Å²	39.7	5%	0.051	21%	0.207	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-115.8	139	-179.1	-167	-96.3	0	0	0	110.3	N81 I121 G125 E126 V127 T142 F152	N81-H123 PolarHBondContact O-N 3.06Å; I121-H123 PolarHBondContact O-N 3.19Å; H123-G125 PolarHBondContact ND1-O 2.92Å; H123-G125 PolarHBondContact O-N 3.44Å; H123-E126 PolarHBondContact CE1-O 3.2Å; H123-V127 HydrophobicContact CB-CG2 4.11Å; H123-T142 WeakPolarHBondContact NE2-CB 3.19Å; H123-T142 PolarHBondContact NE2-OG1 2.85Å; H123-F152 AromaticContact CD2-CE2 3.84Å; H123-F152 AromaticContact CD2-CZ 3.82Å
124	K	88.8	Confident	93.1	Very high	127 Å²	127	37.7 Å²	37.7	55%	0.552	19%	0.192	S	C	*	.	S	Bend	trans	-82.6	96.9	-179.2	-70.9	-174.7	179.4	-179.8	0	109.4	N146	K124-N146 PolarHBondContact O-ND2 3Å
125	G	91.1	Very high	94.1	Very high	34 Å²	34	38.3 Å²	38.3	35%	0.351	19%	0.193	S	C	.	.	S	Bend	trans	83.2	179.8	-172.5	0	0	0	0	0	111.6	N81 H123	N81-G125 WeakPolarHBondContact CB-O 3.26Å; H123-G125 PolarHBondContact ND1-O 2.92Å; H123-G125 PolarHBondContact O-N 3.44Å
126	E	94.3	Very high	94.5	Very high	46 Å²	46	41 Å²	41	22%	0.215	21%	0.206	C	C	.	.			trans	-65.2	157.3	-177.8	-60	159.9	-167.1	0	0	111	H75 H123 S144 P145	H75-E126 IonicContact CD2-OE1 2.68Å; H75-E126 IonicContact CD2-OE2 2.96Å; H75-E126 PolarHBondContact CD2-OE2 3.11Å; H75-E126 IonicContact CG-OE2 2.99Å; H75-E126 IonicContact NE2-OE1 3.3Å; H75-E126 IonicContact NE2-OE2 3.14Å; H75-E126 PolarHBondContact NE2-OE2 3.22Å; H75-E126 VanDerWaalsContact NE2-OE2 3.14Å; H123-E126 PolarHBondContact CE1-O 3.2Å; E126-S144 WeakPolarHBondContact O-CA 3.46Å; E126-S144 WeakPolarHBondContact O-CB 3.45Å; E126-P145 HydrophobicContact CB-CG 4.24Å; E126-P145 VanDerWaalsContact O-CD 3.27Å; E126-P145 WeakPolarHBondContact O-CD 3.19Å
127	V	96.8	Very high	94.7	Very high	0 Å²	0	38.5 Å²	38.5	0%	0	20%	0.195	C	C	.	.			trans	-101.7	94.1	-179.7	-173.1	0	0	0	0	109.4	T44 T74 H123 A130 T142	T44-V127 HydrophobicContact CG2-CG1 3.87Å; T74-V127 PolarHBondContact O-N 3.08Å; T74-V127 VanDerWaalsContact O-N 3.09Å; H123-V127 HydrophobicContact CB-CG2 4.11Å; V127-A130 HydrophobicContact CG1-CB 3.98Å; V127-T142 HydrophobicContact CG1-CG2 4.28Å
128	N	97.4	Very high	94.8	Very high	1 Å²	1	38.8 Å²	38.8	1%	0.005	20%	0.195	C	C	.	.	S	Bend	trans	-68	-40.5	-178.2	-66.4	4.6	0	0	0	112.4	K143 E179 Y181	N128-K143 HydrophobicContact CB-CB 4.2Å; N128-K143 PolarHBondContact N-O 2.8Å; N128-E179 WeakPolarHBondContact ND2-CG 3.45Å; N128-E179 PolarHBondContact ND2-OE1 3.46Å; N128-Y181 HydrophobicContact CB-CD1 3.69Å; N128-Y181 HydrophobicContact CB-CE1 3.69Å
129	R	98.2	Very high	95	Very high	17 Å²	17	36.8 Å²	36.8	6%	0.064	18%	0.183	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-151.7	136.3	177.7	-156.4	77.1	79.6	-179.6	3.5	109.7	R131 T142 K143 Y181 L183 D382	R129-R131 HydrophobicContact CG-CG 4.39Å; R129-T142 CarbonylContact O-C 3.52Å; R129-T142 WeakPolarHBondContact O-CA 3.41Å; R129-K143 HydrophobicContact CB-CB 4.18Å; R129-K143 PolarHBondContact O-N 2.99Å; R129-Y181 VanDerWaalsContact CB-O 3.31Å; R129-Y181 WeakPolarHBondContact CB-O 3.2Å; R129-Y181 WeakPolarHBondContact CG-O 3.46Å; R129-Y181 PolarHBondContact NE-O 2.8Å; R129-L183 HydrophobicContact CB-CB 4.35Å; R129-L183 HydrophobicContact CB-CD2 4.49Å; R129-L183 HydrophobicContact CG-CB 4.15Å; R129-D382 IonicContact NH1-OD1 3.14Å
130	A	98.3	Very high	95.2	Very high	0 Å²	0	35.4 Å²	35.4	0%	0	18%	0.176	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-130.3	131.5	171.5	0	0	0	0	0	109.7	T44 I71 L83 V127 I140 A141 T142	T44-A130 HydrophobicContact CG2-CB 3.82Å; T44-A130 PolarHBondContact OG1-N 2.9Å; T44-A130 VanDerWaalsContact OG1-N 3.12Å; I71-A130 HydrophobicContact CG2-CB 3.65Å; L83-A130 HydrophobicContact CD1-CB 3.86Å; V127-A130 HydrophobicContact CG1-CB 3.98Å; A130-I140 HydrophobicContact CB-CG2 4.25Å; A130-A141 WeakPolarHBondContact CA-O 3.5Å; A130-T142 HydrophobicContact CB-CG2 3.84Å
131	R	98.5	Very high	95.5	Very high	22 Å²	22	30.6 Å²	30.6	8%	0.083	16%	0.158	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-138.8	135.8	179.5	-61.7	-65.6	179.4	-115.2	13.2	111.5	T44 Q46 R129 A141 L183 W185 D382	T44-R131 PolarHBondContact OG1-NH1 2.81Å; Q46-R131 VanDerWaalsContact OE1-CA 3.27Å; R129-R131 HydrophobicContact CG-CG 4.39Å; R131-A141 PolarHBondContact N-O 2.85Å; R131-A141 PolarHBondContact O-N 2.97Å; R131-L183 HydrophobicContact CB-CD2 4.25Å; R131-L183 HydrophobicContact CG-CD2 4.3Å; R131-W185 PolarHBondContact O-NE1 3.14Å; R131-D382 IonicContact CZ-OD2 2.81Å; R131-D382 IonicContact NH1-OD2 2.81Å; R131-D382 PolarHBondContact NH1-OD2 2.89Å; R131-D382 IonicContact NH2-OD1 3.62Å; R131-D382 PolarHBondContact NH2-OD1 3.1Å; R131-D382 IonicContact NH2-OD2 3.85Å; R131-D382 PolarHBondContact NH2-OD2 3.34Å
132	F	98	Very high	95.8	Very high	29 Å²	29	30.1 Å²	30.1	13%	0.127	16%	0.155	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-83.8	152.1	173.9	70.6	-91.2	0	0	0	112.4	Q46 W47 L48 P49 I71 P134 P137 M139 I140	Q46-F132 VanDerWaalsContact CD-CD1 3.4Å; Q46-F132 HydrophobicContact CG-CD1 4.17Å; Q46-F132 HydrophobicContact CG-CE1 3.94Å; Q46-F132 VanDerWaalsContact OE1-N 3.1Å; W47-F132 WeakPolarHBondContact O-CE1 3.37Å; L48-F132 HydrophobicContact CD2-CB 4Å; L48-F132 HydrophobicContact CD2-CD1 3.81Å; L48-F132 HydrophobicContact CD2-CG 3.94Å; P49-F132 HydrophobicContact CG-CE2 4.16Å; P49-F132 HydrophobicContact CG-CZ 4.41Å; I71-F132 HydrophobicContact CD1-CB 4Å; I71-F132 HydrophobicContact CD1-CD1 4.11Å; F132-P134 WeakPolarHBondContact O-CD 3.22Å; F132-P137 HydrophobicContact CD2-CB 3.82Å; F132-P137 HydrophobicContact CD2-CG 4.23Å; F132-P137 HydrophobicContact CE2-CB 4.37Å; F132-P137 HydrophobicContact CE2-CG 4.44Å; F132-P137 HydrophobicContact CG-CB 4.38Å; F132-M139 WeakPolarHBondContact CA-O 3.38Å; F132-I140 HydrophobicContact CB-CG1 4.25Å
133	M	98	Very high	96.1	Very high	0 Å²	0	28.3 Å²	28.3	0%	0	15%	0.146	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-74.8	121.9	171.3	-174.7	-167.8	-55.1	0	0	110.3	Q135 Q136 P137 M139 W185 E190 V207	M133-Q135 VanDerWaalsContact C-N 3.26Å; M133-Q135 VanDerWaalsContact CG-OE1 3.25Å; M133-Q135 PolarHBondContact O-N 2.81Å; M133-Q135 VanDerWaalsContact O-N 3.14Å; M133-Q136 CarbonylContact O-C 3.07Å; M133-Q136 PolarHBondContact O-N 3.26Å; M133-Q136 HydrophobicContact SD-CB 4.07Å; M133-Q136 HydrophobicContact SD-CG 4.44Å; M133-P137 WeakPolarHBondContact O-CA 3.31Å; M133-M139 HydrophobicContact CB-CB 4.11Å; M133-M139 HydrophobicContact CE-CB 4.06Å; M133-M139 HydrophobicContact CE-CG 4.32Å; M133-M139 PolarHBondContact N-O 2.97Å; M133-W185 HydrophobicContact CB-CD2 3.88Å; M133-W185 HydrophobicContact CB-CE3 4.05Å; M133-W185 HydrophobicContact CB-CG 4.35Å; M133-W185 HydrophobicContact CB-CH2 4.42Å; M133-W185 HydrophobicContact CB-CZ2 4.22Å; M133-W185 HydrophobicContact CB-CZ3 4.35Å; M133-W185 HydrophobicContact CE-CE3 4.15Å; M133-W185 HydrophobicContact CE-CH2 3.61Å; M133-W185 HydrophobicContact CE-CZ2 4.37Å; M133-W185 HydrophobicContact CE-CZ3 3.49Å; M133-W185 VanDerWaalsContact CE-CZ3 3.49Å; M133-W185 HydrophobicContact CG-CD2 4.15Å; M133-W185 HydrophobicContact CG-CE3 3.86Å; M133-W185 HydrophobicContact CG-CZ3 4.2Å; M133-E190 HydrophobicContact SD-CG 3.85Å; M133-V207 HydrophobicContact CE-CG2 3.77Å
134	P	97.1	Very high	96.2	Very high	55 Å²	55	27.9 Å²	27.9	36%	0.357	14%	0.144	S	C	.	.	T	Hydrogen-bonded Turn	trans	-54	-37.8	-175.7	-30.9	37.8	0	0	0	114.9	F132 W185	F132-P134 WeakPolarHBondContact O-CD 3.22Å; P134-W185 HydrophobicContact CG-CB 4.36Å
135	Q	97.4	Very high	96.4	Very high	64 Å²	64	24.1 Å²	24.1	30%	0.299	13%	0.132	S	C	.	.	T	Hydrogen-bonded Turn	trans	-79.8	-29.1	-178.2	-53.2	81.3	5.1	0	0	112.5	M133 S186 P187 E190	M133-Q135 VanDerWaalsContact C-N 3.26Å; M133-Q135 VanDerWaalsContact CG-OE1 3.25Å; M133-Q135 PolarHBondContact O-N 2.81Å; M133-Q135 VanDerWaalsContact O-N 3.14Å; Q135-S186 PolarHBondContact NE2-O 2.91Å; Q135-P187 PolarHBondContact NE2-O 3.43Å; Q135-E190 HydrophobicContact CB-CB 4.25Å; Q135-E190 HydrophobicContact CB-CG 3.96Å; Q135-E190 HydrophobicContact CG-CB 4.04Å; Q135-E190 HydrophobicContact CG-CG 4.31Å
136	Q	95.9	Very high	96.5	Very high	63 Å²	63	26.1 Å²	26.1	29%	0.294	14%	0.135	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-134.3	83.4	177.1	-65.6	-169.1	8.4	0	0	110.7	M133 H138 M139 E190	M133-Q136 CarbonylContact O-C 3.07Å; M133-Q136 PolarHBondContact O-N 3.26Å; M133-Q136 HydrophobicContact SD-CB 4.07Å; M133-Q136 HydrophobicContact SD-CG 4.44Å; Q136-H138 PolarHBondContact O-N 3.23Å; Q136-M139 HydrophobicContact CB-CB 4.47Å; Q136-M139 HydrophobicContact CB-CG 3.9Å; Q136-M139 WeakPolarHBondContact O-CB 3.46Å; Q136-M139 PolarHBondContact O-N 2.96Å; Q136-E190 PolarHBondContact NE2-OE1 3.15Å
137	P	96.5	Very high	96.5	Very high	40 Å²	40	25.1 Å²	25.1	26%	0.26	14%	0.135	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-64.5	-11.5	-171.1	-25.3	35	0	0	0	116	L48 P49 F132 M133 M139	L48-P137 HydrophobicContact CD2-CB 4.38Å; P49-P137 HydrophobicContact CG-CB 3.67Å; P49-P137 HydrophobicContact CG-CG 3.39Å; F132-P137 HydrophobicContact CD2-CB 3.82Å; F132-P137 HydrophobicContact CD2-CG 4.23Å; F132-P137 HydrophobicContact CE2-CB 4.37Å; F132-P137 HydrophobicContact CE2-CG 4.44Å; F132-P137 HydrophobicContact CG-CB 4.38Å; M133-P137 WeakPolarHBondContact O-CA 3.31Å; P137-M139 VanDerWaalsContact C-N 3.29Å
138	H	93.9	Very high	96.4	Very high	63 Å²	63	27.6 Å²	27.6	29%	0.292	15%	0.146	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-77.3	-17.4	173.5	65.5	86.9	0	0	0	112.9	Q136 D153 T154 A155	Q136-H138 PolarHBondContact O-N 3.23Å; H138-D153 IonicContact CE1-OD1 3.58Å; H138-D153 IonicContact CG-OD1 3.65Å; H138-D153 IonicContact ND1-OD1 3.51Å; H138-D153 PolarHBondContact ND1-OD1 3.13Å; H138-T154 VanDerWaalsContact CA-OG1 3.27Å; H138-T154 WeakPolarHBondContact CA-OG1 3.12Å; H138-T154 WeakPolarHBondContact CB-OG1 3.36Å; H138-T154 PolarHBondContact O-N 2.86Å; H138-T154 PolarHBondContact O-OG1 3.09Å; H138-A155 HydrophobicContact CB-CB 3.79Å
139	M	95.7	Very high	96.4	Very high	23 Å²	23	27.6 Å²	27.6	11%	0.113	15%	0.146	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-86.4	116.4	175.3	-59.8	-64.9	-77.8	0	0	109.3	F132 M133 Q136 P137 L151 F152 D153	F132-M139 WeakPolarHBondContact CA-O 3.38Å; M133-M139 HydrophobicContact CB-CB 4.11Å; M133-M139 HydrophobicContact CE-CB 4.06Å; M133-M139 HydrophobicContact CE-CG 4.32Å; M133-M139 PolarHBondContact N-O 2.97Å; Q136-M139 HydrophobicContact CB-CB 4.47Å; Q136-M139 HydrophobicContact CB-CG 3.9Å; Q136-M139 WeakPolarHBondContact O-CB 3.46Å; Q136-M139 PolarHBondContact O-N 2.96Å; P137-M139 VanDerWaalsContact C-N 3.29Å; M139-L151 HydrophobicContact CE-CD2 3.73Å; M139-L151 HydrophobicContact CE-CG 4.16Å; M139-F152 WeakPolarHBondContact CA-O 3.41Å; M139-D153 HydrophobicContact SD-CB 3.83Å
140	I	97.1	Very high	96.2	Very high	0 Å²	0	27 Å²	27	0%	0	15%	0.145	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-121.8	125.4	-177.4	-60.8	176.2	0	0	0	109.5	I71 L83 I85 A130 F132 T142 L151 F152 T154	I71-I140 HydrophobicContact CD1-CD1 3.63Å; I71-I140 HydrophobicContact CD1-CG1 3.99Å; I71-I140 HydrophobicContact CD1-CG2 4.33Å; I71-I140 HydrophobicContact CG1-CD1 3.84Å; L83-I140 HydrophobicContact CD1-CG2 4.3Å; L83-I140 HydrophobicContact CD2-CB 4.37Å; L83-I140 HydrophobicContact CD2-CG2 3.98Å; I85-I140 HydrophobicContact CD1-CD1 3.61Å; A130-I140 HydrophobicContact CB-CG2 4.25Å; F132-I140 HydrophobicContact CB-CG1 4.25Å; I140-T142 HydrophobicContact CG2-CG2 4.1Å; I140-L151 CarbonylContact O-C 3.53Å; I140-L151 WeakPolarHBondContact O-CA 3.21Å; I140-F152 PolarHBondContact N-O 2.96Å; I140-F152 PolarHBondContact O-N 2.83Å; I140-T154 HydrophobicContact CD1-CG2 3.58Å; I140-T154 HydrophobicContact CG1-CG2 4.23Å
141	A	97.6	Very high	96.1	Very high	0 Å²	0	27.2 Å²	27.2	0%	0	15%	0.146	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-93.2	144.8	167.6	0	0	0	0	0	109.7	A130 R131 V149 L150 L151 L183 W185 L193	A130-A141 WeakPolarHBondContact CA-O 3.5Å; R131-A141 PolarHBondContact N-O 2.85Å; R131-A141 PolarHBondContact O-N 2.97Å; A141-V149 HydrophobicContact CB-CG1 4.1Å; A141-L150 CarbonylContact C-O 3.58Å; A141-L150 VanDerWaalsContact CA-O 3.29Å; A141-L150 WeakPolarHBondContact CA-O 3.37Å; A141-L151 HydrophobicContact CB-CD1 4.2Å; A141-L183 HydrophobicContact CB-CD1 4.19Å; A141-L183 HydrophobicContact CB-CD2 4.04Å; A141-L183 HydrophobicContact CB-CG 4.47Å; A141-L183 VanDerWaalsContact O-CD2 3.3Å; A141-L183 WeakPolarHBondContact O-CD2 3.16Å; A141-W185 HydrophobicContact CB-CZ2 3.55Å; A141-L193 HydrophobicContact CB-CD1 4.2Å; A141-L193 HydrophobicContact CB-CD2 3.73Å
142	T	97.8	Very high	95.8	Very high	0 Å²	0	26.4 Å²	26.4	0%	0	14%	0.142	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-132.8	148.5	175.1	67.1	0	0	0	0	112.7	L83 H123 V127 R129 A130 I140 V149 L150 F152	L83-T142 HydrophobicContact CD1-CG2 3.96Å; L83-T142 HydrophobicContact CD2-CG2 3.88Å; L83-T142 HydrophobicContact CG-CG2 4.42Å; H123-T142 WeakPolarHBondContact NE2-CB 3.19Å; H123-T142 PolarHBondContact NE2-OG1 2.85Å; V127-T142 HydrophobicContact CG1-CG2 4.28Å; R129-T142 CarbonylContact O-C 3.52Å; R129-T142 WeakPolarHBondContact O-CA 3.41Å; A130-T142 HydrophobicContact CB-CG2 3.84Å; I140-T142 HydrophobicContact CG2-CG2 4.1Å; T142-V149 WeakPolarHBondContact O-CA 3.39Å; T142-V149 WeakPolarHBondContact O-CG1 3.3Å; T142-L150 PolarHBondContact N-O 2.94Å; T142-L150 PolarHBondContact O-N 3.23Å; T142-L150 VanDerWaalsContact O-N 3.08Å; T142-F152 HydrophobicContact CG2-CD2 4.2Å; T142-F152 HydrophobicContact CG2-CE2 4.05Å
143	K	97.3	Very high	95.5	Very high	0 Å²	0	26.3 Å²	26.3	0%	0	14%	0.143	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-102.9	149.9	164.7	-80.2	-72.4	-168.5	166.5	0	110	N128 R129 V149 H176 G180 L183 S195 G196	N128-K143 HydrophobicContact CB-CB 4.2Å; N128-K143 PolarHBondContact N-O 2.8Å; R129-K143 HydrophobicContact CB-CB 4.18Å; R129-K143 PolarHBondContact O-N 2.99Å; K143-V149 HydrophobicContact CD-CG2 3.95Å; K143-H176 PolarHBondContact NZ-CD2 2.73Å; K143-G180 VanDerWaalsContact CB-O 3.23Å; K143-G180 WeakPolarHBondContact CB-O 3.39Å; K143-G180 WeakPolarHBondContact CD-O 3.17Å; K143-G180 WeakPolarHBondContact CG-O 3.48Å; K143-L183 HydrophobicContact CG-CB 4.26Å; K143-L183 HydrophobicContact CG-CD1 4.28Å; K143-L183 HydrophobicContact CG-CD2 4.47Å; K143-S195 VanDerWaalsContact CE-CB 3.5Å; K143-G196 WeakPolarHBondContact CE-O 3.27Å; K143-G196 PolarHBondContact NZ-O 3.15Å
144	S	94.5	Very high	95.2	Very high	1 Å²	1	27 Å²	27	1%	0.007	15%	0.148	C	C	.	.			trans	-144.7	174.2	-179.1	73.5	0	0	0	0	109.1	E126 N146	E126-S144 WeakPolarHBondContact O-CA 3.46Å; E126-S144 WeakPolarHBondContact O-CB 3.45Å; S144-N146 PolarHBondContact O-N 3.12Å; S144-N146 WeakPolarHBondContact OG-CB 3.46Å; S144-N146 PolarHBondContact OG-N 2.83Å; S144-N146 PolarHBondContact OG-O 2.91Å
145	P	93.6	Very high	94.8	Very high	48 Å²	48	26.6 Å²	26.6	31%	0.312	15%	0.149	S	C	.	.	S	Bend	trans	-59.9	-10.2	167.4	-26.9	36.7	0	0	0	115.3	E126 E179	E126-P145 HydrophobicContact CB-CG 4.24Å; E126-P145 VanDerWaalsContact O-CD 3.27Å; E126-P145 WeakPolarHBondContact O-CD 3.19Å; P145-E179 VanDerWaalsContact CA-CD 3.43Å; P145-E179 WeakPolarHBondContact CA-OE2 3.41Å; P145-E179 WeakPolarHBondContact CB-OE2 3.22Å
146	N	92.4	Very high	94.3	Very high	76 Å²	76	28.7 Å²	28.7	41%	0.406	16%	0.157	S	C	.	.	S	Bend	trans	-86	152.8	169.2	-54.6	-52	0	0	0	111.3	K124 S144 E148	K124-N146 PolarHBondContact O-ND2 3Å; S144-N146 PolarHBondContact O-N 3.12Å; S144-N146 WeakPolarHBondContact OG-CB 3.46Å; S144-N146 PolarHBondContact OG-N 2.83Å; S144-N146 PolarHBondContact OG-O 2.91Å; N146-E148 PolarHBondContact O-N 2.81Å
147	A	94.9	Very high	93.8	Very high	25 Å²	25	27.5 Å²	27.5	21%	0.207	15%	0.152	C	C	.	.	S	Bend	trans	-67.5	-15.7	179.2	0	0	0	0	0	115.3	H176 N178	A147-H176 WeakPolarHBondContact CB-O 3.09Å; A147-H176 WeakPolarHBondContact O-CB 3.43Å; A147-N178 VanDerWaalsContact CA-O 3.28Å; A147-N178 WeakPolarHBondContact CA-O 3.23Å
148	E	95.1	Very high	93.2	Very high	53 Å²	53	28.4 Å²	28.4	25%	0.248	16%	0.16	C	C	.	.	S	Bend	trans	-79.6	142	-179.6	-58.8	-178	165.4	0	0	111.1	N146 L150 R172 L173 V174	N146-E148 PolarHBondContact O-N 2.81Å; E148-L150 HydrophobicContact CB-CD2 4.27Å; E148-R172 IonicContact OE1-NH1 3.37Å; E148-R172 VanDerWaalsContact OE2-CD 3.32Å; E148-R172 WeakPolarHBondContact OE2-CD 3.46Å; E148-L173 WeakPolarHBondContact CA-O 3.43Å; E148-V174 HydrophobicContact CG-CG2 4.38Å
149	V	96.4	Very high	92.6	Very high	0 Å²	0	29.3 Å²	29.3	0%	0	18%	0.178	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-90.1	128.3	161.6	-177.7	0	0	0	0	107.6	A141 T142 K143 L173 L183 L193	A141-V149 HydrophobicContact CB-CG1 4.1Å; T142-V149 WeakPolarHBondContact O-CA 3.39Å; T142-V149 WeakPolarHBondContact O-CG1 3.3Å; K143-V149 HydrophobicContact CD-CG2 3.95Å; V149-L173 HydrophobicContact CB-CB 3.93Å; V149-L173 HydrophobicContact CB-CD1 3.98Å; V149-L173 HydrophobicContact CB-CG 4.13Å; V149-L173 HydrophobicContact CG1-CD1 3.96Å; V149-L173 HydrophobicContact CG1-CG 4.47Å; V149-L173 PolarHBondContact N-O 2.85Å; V149-L173 VanDerWaalsContact N-O 3.16Å; V149-L173 PolarHBondContact O-N 2.96Å; V149-L183 HydrophobicContact CG1-CD1 3.91Å; V149-L193 HydrophobicContact CG1-CD2 4.03Å
150	L	95.1	Very high	91.6	Very high	6 Å²	6	32 Å²	32	3%	0.031	19%	0.193	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-101	135.6	-178.3	-55.9	178.1	0	0	0	109.9	A141 T142 E148 F152 A169 R172	A141-L150 CarbonylContact C-O 3.58Å; A141-L150 VanDerWaalsContact CA-O 3.29Å; A141-L150 WeakPolarHBondContact CA-O 3.37Å; T142-L150 PolarHBondContact N-O 2.94Å; T142-L150 PolarHBondContact O-N 3.23Å; T142-L150 VanDerWaalsContact O-N 3.08Å; E148-L150 HydrophobicContact CB-CD2 4.27Å; L150-F152 HydrophobicContact CB-CD2 4.45Å; L150-F152 HydrophobicContact CB-CE2 3.55Å; L150-F152 HydrophobicContact CB-CZ 3.83Å; L150-F152 HydrophobicContact CD1-CE2 4.41Å; L150-F152 HydrophobicContact CD1-CZ 4.05Å; L150-A169 HydrophobicContact CB-CB 4.14Å; L150-A169 HydrophobicContact CD2-CB 4.1Å; L150-R172 HydrophobicContact CD2-CG 3.94Å
151	L	94.7	Very high	89.9	Confident	4 Å²	4	41.5 Å²	41.5	2%	0.021	23%	0.234	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-111.3	135.4	175.7	-167	69.4	0	0	0	110.3	M139 I140 A141 A169 E170 L171 W185 V207	M139-L151 HydrophobicContact CE-CD2 3.73Å; M139-L151 HydrophobicContact CE-CG 4.16Å; I140-L151 CarbonylContact O-C 3.53Å; I140-L151 WeakPolarHBondContact O-CA 3.21Å; A141-L151 HydrophobicContact CB-CD1 4.2Å; L151-A169 CarbonylContact O-C 3.51Å; L151-E170 PolarHBondContact O-N 3.17Å; L151-L171 HydrophobicContact CB-CB 3.95Å; L151-L171 HydrophobicContact CD2-CB 4.05Å; L151-L171 HydrophobicContact CD2-CD2 4.11Å; L151-L171 PolarHBondContact N-O 3.17Å; L151-L171 PolarHBondContact O-N 2.97Å; L151-W185 HydrophobicContact CD1-CH2 3.69Å; L151-W185 HydrophobicContact CD1-CZ2 3.56Å; L151-V207 HydrophobicContact CD2-CB 4.1Å; L151-V207 HydrophobicContact CD2-CG1 4.18Å; L151-V207 HydrophobicContact CD2-CG2 4.38Å
152	F	93.3	Very high	87.5	Confident	4 Å²	4	46.4 Å²	46.4	2%	0.018	26%	0.264	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-129.6	129.4	-179.8	-58.2	-87.3	0	0	0	111.1	L83 I121 H123 M139 I140 T142 L150 L157 A169	L83-F152 HydrophobicContact CD2-CB 4.21Å; L83-F152 HydrophobicContact CD2-CD2 3.56Å; L83-F152 HydrophobicContact CD2-CE2 4.09Å; L83-F152 HydrophobicContact CD2-CG 3.96Å; I121-F152 HydrophobicContact CD1-CB 4.43Å; I121-F152 HydrophobicContact CG2-CD1 3.78Å; I121-F152 HydrophobicContact CG2-CE1 3.79Å; H123-F152 AromaticContact CD2-CE2 3.84Å; H123-F152 AromaticContact CD2-CZ 3.82Å; M139-F152 WeakPolarHBondContact CA-O 3.41Å; I140-F152 PolarHBondContact N-O 2.96Å; I140-F152 PolarHBondContact O-N 2.83Å; T142-F152 HydrophobicContact CG2-CD2 4.2Å; T142-F152 HydrophobicContact CG2-CE2 4.05Å; L150-F152 HydrophobicContact CB-CD2 4.45Å; L150-F152 HydrophobicContact CB-CE2 3.55Å; L150-F152 HydrophobicContact CB-CZ 3.83Å; L150-F152 HydrophobicContact CD1-CE2 4.41Å; L150-F152 HydrophobicContact CD1-CZ 4.05Å; F152-L157 HydrophobicContact CB-CD1 4.41Å; F152-L157 HydrophobicContact CD1-CD1 4.38Å; F152-A169 HydrophobicContact CD1-CB 4.33Å; F152-A169 HydrophobicContact CE1-CB 3.78Å; F152-A169 HydrophobicContact CZ-CB 4.01Å
153	D	91.8	Very high	85.2	Confident	27 Å²	27	53.3 Å²	53.3	14%	0.144	30%	0.296	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-90.5	101.5	163.4	178.2	4.1	0	0	0	110.4	H138 M139 A155 K156 L157 E170	H138-D153 IonicContact CE1-OD1 3.58Å; H138-D153 IonicContact CG-OD1 3.65Å; H138-D153 IonicContact ND1-OD1 3.51Å; H138-D153 PolarHBondContact ND1-OD1 3.13Å; M139-D153 HydrophobicContact SD-CB 3.83Å; D153-A155 VanDerWaalsContact C-N 3.31Å; D153-A155 PolarHBondContact O-N 2.91Å; D153-A155 WeakPolarHBondContact OD1-CB 3.37Å; D153-A155 PolarHBondContact OD1-N 2.85Å; D153-K156 HydrophobicContact CB-CB 4.13Å; D153-K156 PolarHBondContact OD1-N 2.97Å; D153-K156 WeakPolarHBondContact OD2-CB 3.47Å; D153-L157 VanDerWaalsContact O-CG 3.31Å; D153-L157 WeakPolarHBondContact O-CG 3.31Å; D153-L157 PolarHBondContact O-N 3.17Å; D153-L157 VanDerWaalsContact O-N 3.11Å; D153-E170 WeakPolarHBondContact CB-OE2 3.48Å
154	T	91.2	Very high	82.9	Confident	16 Å²	16	58.3 Å²	58.3	10%	0.098	33%	0.329	C	S	.	.	H	α-helix	trans	-69.5	-25.8	179	59.8	0	0	0	0	113.3	I85 L119 I121 H138 I140 S158	I85-T154 HydrophobicContact CD1-CG2 4.29Å; I85-T154 HydrophobicContact CG1-CG2 4.21Å; L119-T154 HydrophobicContact CD2-CG2 4.15Å; I121-T154 HydrophobicContact CD1-CG2 4.07Å; H138-T154 VanDerWaalsContact CA-OG1 3.27Å; H138-T154 WeakPolarHBondContact CA-OG1 3.12Å; H138-T154 WeakPolarHBondContact CB-OG1 3.36Å; H138-T154 PolarHBondContact O-N 2.86Å; H138-T154 PolarHBondContact O-OG1 3.09Å; I140-T154 HydrophobicContact CD1-CG2 3.58Å; I140-T154 HydrophobicContact CG1-CG2 4.23Å; T154-S158 VanDerWaalsContact O-CB 3.28Å; T154-S158 WeakPolarHBondContact O-CB 3.39Å; T154-S158 PolarHBondContact O-N 2.84Å; T154-S158 PolarHBondContact O-OG 3.36Å
155	A	89.5	Confident	80.6	Confident	46 Å²	46	63.8 Å²	63.8	38%	0.38	36%	0.358	S	S	.	.	H	α-helix	trans	-70.3	-43.1	177.9	0	0	0	0	0	110.5	H138 D153 S158 A159	H138-A155 HydrophobicContact CB-CB 3.79Å; D153-A155 VanDerWaalsContact C-N 3.31Å; D153-A155 PolarHBondContact O-N 2.91Å; D153-A155 WeakPolarHBondContact OD1-CB 3.37Å; D153-A155 PolarHBondContact OD1-N 2.85Å; A155-S158 PolarHBondContact O-OG 3.29Å; A155-A159 PolarHBondContact O-N 2.99Å
156	K	86.7	Confident	78.7	Confident	107 Å²	107	64.7 Å²	64.7	47%	0.465	37%	0.365	S	S	.	.	H	α-helix	trans	-64.4	-47	173	-178.2	177.6	-177.8	-178.7	0	112	D153 S158 A159 L160 E170	D153-K156 HydrophobicContact CB-CB 4.13Å; D153-K156 PolarHBondContact OD1-N 2.97Å; D153-K156 WeakPolarHBondContact OD2-CB 3.47Å; K156-S158 PolarHBondContact O-N 3.29Å; K156-A159 PolarHBondContact O-N 3.03Å; K156-L160 HydrophobicContact CG-CD1 3.7Å; K156-L160 WeakPolarHBondContact O-CD1 3.44Å; K156-L160 PolarHBondContact O-N 2.81Å; K156-E170 IonicContact NZ-OE1 3.53Å
157	L	85.6	Confident	77	Confident	38 Å²	38	64.3 Å²	64.3	20%	0.199	37%	0.369	C	S	.	.	H	α-helix	trans	-63.6	-38.1	-179.8	-70.6	167.5	0	0	0	112.7	L119 I121 F152 D153 A159 L160	L119-L157 HydrophobicContact CD2-CB 4.35Å; I121-L157 HydrophobicContact CD1-CD1 3.51Å; I121-L157 HydrophobicContact CG1-CD1 3.9Å; I121-L157 HydrophobicContact CG2-CD1 4.07Å; F152-L157 HydrophobicContact CB-CD1 4.41Å; F152-L157 HydrophobicContact CD1-CD1 4.38Å; D153-L157 VanDerWaalsContact O-CG 3.31Å; D153-L157 WeakPolarHBondContact O-CG 3.31Å; D153-L157 PolarHBondContact O-N 3.17Å; D153-L157 VanDerWaalsContact O-N 3.11Å; L157-A159 VanDerWaalsContact C-N 3.35Å; L157-L160 PolarHBondContact O-N 2.92Å
158	S	83.6	Confident	75.5	Confident	60 Å²	60	69 Å²	69	42%	0.42	38%	0.384	S	S	.	.	H	α-helix	trans	-69.2	-29.7	175.3	58.2	0	0	0	0	113.5	T154 A155 K156 K161	T154-S158 VanDerWaalsContact O-CB 3.28Å; T154-S158 WeakPolarHBondContact O-CB 3.39Å; T154-S158 PolarHBondContact O-N 2.84Å; T154-S158 PolarHBondContact O-OG 3.36Å; A155-S158 PolarHBondContact O-OG 3.29Å; K156-S158 PolarHBondContact O-N 3.29Å; S158-K161 WeakPolarHBondContact O-CG 3.44Å
159	A	80.8	Confident	74.1	Confident	81 Å²	81	67.3 Å²	67.3	67%	0.669	38%	0.379	S	S	*	.	H	α-helix	trans	-72.5	-34.3	173.5	0	0	0	0	0	112.4	A155 K156 L157 K161	A155-A159 PolarHBondContact O-N 2.99Å; K156-A159 PolarHBondContact O-N 3.03Å; L157-A159 VanDerWaalsContact C-N 3.35Å; A159-K161 PolarHBondContact O-N 2.7Å
160	L	74.2	Confident	72.9	Confident	81 Å²	81	70.1 Å²	70.1	42%	0.424	39%	0.392	S	S	.	.			trans	-74.3	37.3	178.8	-96.9	133.3	0	0	0	113.1	K156 L157 T162	K156-L160 HydrophobicContact CG-CD1 3.7Å; K156-L160 WeakPolarHBondContact O-CD1 3.44Å; K156-L160 PolarHBondContact O-N 2.81Å; L157-L160 PolarHBondContact O-N 2.92Å; L160-T162 CarbonylContact O-C 3.57Å; L160-T162 WeakPolarHBondContact O-CA 3.44Å; L160-T162 PolarHBondContact O-N 2.91Å; L160-T162 PolarHBondContact O-OG1 2.86Å
161	K	61.1	Low	72.4	Confident	199 Å²	199	70.2 Å²	70.2	87%	0.865	39%	0.393	S	S	*	.			trans	-41	-10.1	-177.8	-67.7	-174.7	174.7	-178.4	0	117.5	S158 A159	S158-K161 WeakPolarHBondContact O-CG 3.44Å; A159-K161 PolarHBondContact O-N 2.7Å
162	T	47.7	Very low	72.2	Confident	102 Å²	102	73.4 Å²	73.4	63%	0.626	41%	0.405	S	S	*	.	S	Bend	trans	-88.7	113.2	171.6	51.7	0	0	0	0	111.7	L160	L160-T162 CarbonylContact O-C 3.57Å; L160-T162 WeakPolarHBondContact O-CA 3.44Å; L160-T162 PolarHBondContact O-N 2.91Å; L160-T162 PolarHBondContact O-OG1 2.86Å
163	E	50.9	Low	72.3	Confident	145 Å²	145	73.2 Å²	73.2	68%	0.678	40%	0.404	S	S	*	.			trans	85.8	96.7	169.4	-54.3	-71.6	154.1	0	0	116.7	N165 S166	E163-N165 PolarHBondContact O-N 3.12Å; E163-S166 PolarHBondContact O-N 3.42Å
164	P	47.8	Very low	72.4	Confident	106 Å²	106	74.1 Å²	74.1	69%	0.688	41%	0.41	S	S	*	.	T	Hydrogen-bonded Turn	trans	-60.5	-7.4	174.4	23.5	-32.6	0	0	0	114.5	N122	N122-P164 PolarHBondContact ND2-O 3.28Å
165	N	46.5	Very low	72.6	Confident	115 Å²	115	74.1 Å²	74.1	62%	0.615	41%	0.413	S	S	*	.	T	Hydrogen-bonded Turn	trans	-105.8	8.6	-174.2	-71	-16.9	0	0	0	114.8	N122 E163 S167	N122-N165 PolarHBondContact ND2-OD1 2.81Å; E163-N165 PolarHBondContact O-N 3.12Å; N165-S167 PolarHBondContact O-N 3.02Å
166	S	53.2	Low	72.9	Confident	67 Å²	67	72.1 Å²	72.1	47%	0.469	40%	0.396	S	S	.	.			trans	-73.6	68.9	171.6	172.7	0	0	0	0	110.9	E163 K168	E163-S166 PolarHBondContact O-N 3.42Å; S166-K168 PolarHBondContact O-N 3.21Å
167	S	56.5	Low	73.4	Confident	68 Å²	68	73.9 Å²	73.9	48%	0.476	41%	0.406	S	S	.	.			trans	-77.9	43.6	-173.1	64.9	0	0	0	0	113.9	N165	N165-S167 PolarHBondContact O-N 3.02Å
168	K	63.4	Low	74	Confident	124 Å²	124	75.9 Å²	75.9	54%	0.539	42%	0.417	S	S	.	.			trans	-107.1	102.5	178.7	-156.3	174.4	-177.3	178.7	0	109.2	S166 E170 E215	S166-K168 PolarHBondContact O-N 3.21Å; K168-E170 PolarHBondContact O-N 3.23Å; K168-E215 VanDerWaalsContact CE-CD 3.44Å; K168-E215 VanDerWaalsContact CE-OE1 3.3Å; K168-E215 WeakPolarHBondContact CE-OE1 3.36Å; K168-E215 VanDerWaalsContact NZ-CD 3.27Å; K168-E215 IonicContact NZ-OE1 2.61Å; K168-E215 PolarHBondContact NZ-OE1 3.45Å; K168-E215 IonicContact NZ-OE2 3.81Å
169	A	65.3	Low	74.6	Confident	17 Å²	17	75.4 Å²	75.4	14%	0.14	41%	0.408	C	S	.	.			trans	-46.2	134.1	160.2	0	0	0	0	0	108.2	L150 L151 F152 L171	L150-A169 HydrophobicContact CB-CB 4.14Å; L150-A169 HydrophobicContact CD2-CB 4.1Å; L151-A169 CarbonylContact O-C 3.51Å; F152-A169 HydrophobicContact CD1-CB 4.33Å; F152-A169 HydrophobicContact CE1-CB 3.78Å; F152-A169 HydrophobicContact CZ-CB 4.01Å; A169-L171 PolarHBondContact O-N 3.03Å
170	E	72	Confident	75.3	Confident	59 Å²	59	71.5 Å²	71.5	28%	0.276	38%	0.376	S	S	.	.	S	Bend	trans	-64	-38.6	-175.7	179.7	163.3	-137.6	0	0	110.9	L151 D153 K156 K168	L151-E170 PolarHBondContact O-N 3.17Å; D153-E170 WeakPolarHBondContact CB-OE2 3.48Å; K156-E170 IonicContact NZ-OE1 3.53Å; K168-E170 PolarHBondContact O-N 3.23Å
171	L	84.5	Confident	76.4	Confident	8 Å²	8	71.2 Å²	71.2	4%	0.042	37%	0.37	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-143	136.1	-180	-164.6	65.7	0	0	0	109.5	L151 A169 L173 V207 R214 L217	L151-L171 HydrophobicContact CB-CB 3.95Å; L151-L171 HydrophobicContact CD2-CB 4.05Å; L151-L171 HydrophobicContact CD2-CD2 4.11Å; L151-L171 PolarHBondContact N-O 3.17Å; L151-L171 PolarHBondContact O-N 2.97Å; A169-L171 PolarHBondContact O-N 3.03Å; L171-L173 HydrophobicContact CD2-CD2 3.73Å; L171-L173 HydrophobicContact CG-CD2 3.93Å; L171-V207 HydrophobicContact CD2-CB 4.34Å; L171-R214 VanDerWaalsContact CD1-O 3.24Å; L171-R214 WeakPolarHBondContact CD1-O 3.29Å; L171-L217 HydrophobicContact CD1-CB 4.22Å; L171-L217 HydrophobicContact CD2-CB 3.98Å; L171-L217 HydrophobicContact CD2-CD2 4.05Å; L171-L217 HydrophobicContact CG-CB 4.14Å
172	R	91.5	Very high	78.1	Confident	72 Å²	72	61.7 Å²	61.7	27%	0.272	33%	0.328	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-105.4	117.6	172.1	-64.2	-179.4	-72.7	155.9	-6.7	109	E148 L150 V174 E215 T216 L217	E148-R172 IonicContact OE1-NH1 3.37Å; E148-R172 VanDerWaalsContact OE2-CD 3.32Å; E148-R172 WeakPolarHBondContact OE2-CD 3.46Å; L150-R172 HydrophobicContact CD2-CG 3.94Å; R172-V174 HydrophobicContact CB-CG2 4.45Å; R172-E215 PolarHBondContact N-O 2.79Å; R172-E215 IonicContact NH2-OE2 2.96Å; R172-E215 PolarHBondContact NH2-OE2 2.88Å; R172-T216 HydrophobicContact CB-CG2 4.37Å; R172-T216 CarbonylContact O-C 3.49Å; R172-T216 WeakPolarHBondContact O-CA 3.45Å; R172-L217 PolarHBondContact O-N 2.84Å
173	L	94.5	Very high	80.6	Confident	0 Å²	0	57.1 Å²	57.1	0%	0	30%	0.3	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-89.5	110.6	177.4	-45.4	-172.9	0	0	0	108.4	E148 V149 L171 L193 W205 V207 L217	E148-L173 WeakPolarHBondContact CA-O 3.43Å; V149-L173 HydrophobicContact CB-CB 3.93Å; V149-L173 HydrophobicContact CB-CD1 3.98Å; V149-L173 HydrophobicContact CB-CG 4.13Å; V149-L173 HydrophobicContact CG1-CD1 3.96Å; V149-L173 HydrophobicContact CG1-CG 4.47Å; V149-L173 PolarHBondContact N-O 2.85Å; V149-L173 VanDerWaalsContact N-O 3.16Å; V149-L173 PolarHBondContact O-N 2.96Å; L171-L173 HydrophobicContact CD2-CD2 3.73Å; L171-L173 HydrophobicContact CG-CD2 3.93Å; L173-L193 HydrophobicContact CD1-CD2 3.68Å; L173-W205 HydrophobicContact CB-CD2 3.94Å; L173-W205 HydrophobicContact CB-CE3 3.66Å; L173-W205 HydrophobicContact CB-CH2 3.81Å; L173-W205 HydrophobicContact CB-CZ2 4.1Å; L173-W205 HydrophobicContact CB-CZ3 3.57Å; L173-W205 HydrophobicContact CD1-CB 4.11Å; L173-W205 HydrophobicContact CD1-CD2 3.82Å; L173-W205 HydrophobicContact CD1-CE3 4.22Å; L173-W205 HydrophobicContact CD1-CG 3.74Å; L173-W205 HydrophobicContact CD2-CE3 4.44Å; L173-W205 HydrophobicContact CG-CD2 4.41Å; L173-W205 HydrophobicContact CG-CE3 4.34Å; L173-V207 HydrophobicContact CD1-CG1 4.3Å; L173-V207 HydrophobicContact CD2-CG1 4.33Å; L173-L217 CarbonylContact C-O 3.51Å; L173-L217 WeakPolarHBondContact CA-O 3.35Å; L173-L217 HydrophobicContact CD2-CB 3.72Å; L173-L217 HydrophobicContact CD2-CD2 3.79Å; L173-L217 HydrophobicContact CD2-CG 4.25Å
174	V	94.5	Very high	82.8	Confident	46 Å²	46	51.4 Å²	51.4	28%	0.279	28%	0.276	S	S	.	.			trans	-109.6	116.5	-173.1	-175.8	0	0	0	0	108.8	E148 R172 T216 L217 P219	E148-V174 HydrophobicContact CG-CG2 4.38Å; R172-V174 HydrophobicContact CB-CG2 4.45Å; V174-T216 HydrophobicContact CG2-CG2 4.23Å; V174-L217 PolarHBondContact N-O 2.93Å; V174-P219 VanDerWaalsContact O-CD 3.3Å; V174-P219 WeakPolarHBondContact O-CD 3.41Å
175	G	94.1	Very high	85.2	Confident	15 Å²	15	47 Å²	47	16%	0.155	25%	0.246	C	C	.	.			trans	-172.5	-45.2	-178.2	0	0	0	0	0	112.4	Q177	G175-Q177 PolarHBondContact O-NE2 2.84Å
176	H	97.5	Very high	87.7	Confident	5 Å²	5	41.5 Å²	41.5	2%	0.023	22%	0.216	C	C	.	.			trans	-69.7	159.3	172.3	-70.4	-71.4	0	0	0	112.4	K143 A147 S195 S197 D199 I201	K143-H176 PolarHBondContact NZ-CD2 2.73Å; A147-H176 WeakPolarHBondContact CB-O 3.09Å; A147-H176 WeakPolarHBondContact O-CB 3.43Å; H176-S195 PolarHBondContact CD2-OG 3.07Å; H176-S195 PolarHBondContact CE1-O 2.9Å; H176-S195 PolarHBondContact NE2-O 2.96Å; H176-S195 PolarHBondContact NE2-OG 3.21Å; H176-S197 WeakPolarHBondContact ND1-CB 3.36Å; H176-D199 WeakPolarHBondContact CA-OD2 3.44Å; H176-D199 VanDerWaalsContact CB-OD2 3.28Å; H176-D199 WeakPolarHBondContact CB-OD2 3.4Å; H176-D199 IonicContact CE1-OD1 3.8Å; H176-D199 IonicContact CG-OD2 3.69Å; H176-D199 IonicContact ND1-OD1 3.04Å; H176-D199 PolarHBondContact ND1-OD1 3.45Å; H176-D199 IonicContact ND1-OD2 3.87Å; H176-D199 PolarHBondContact ND1-OD2 3.07Å; H176-I201 PolarHBondContact CE1-O 3.22Å
177	Q	96.6	Very high	89.8	Confident	144 Å²	144	40.7 Å²	40.7	67%	0.673	21%	0.21	S	C	*	.	S	Bend	trans	-110.7	-19.1	178.3	-57.1	-54.3	-58.9	0	0	113.7	G175 D199	G175-Q177 PolarHBondContact O-NE2 2.84Å; Q177-D199 HydrophobicContact CB-CB 4.25Å; Q177-D199 PolarHBondContact N-OD2 2.9Å
178	N	97.2	Very high	91.8	Very high	79 Å²	79	40.7 Å²	40.7	42%	0.422	20%	0.204	S	C	.	.	S	Bend	trans	-130.4	174.1	-178.6	-63.9	-26.7	0	0	0	111.3	A147 S197 D198 D199	A147-N178 VanDerWaalsContact CA-O 3.28Å; A147-N178 WeakPolarHBondContact CA-O 3.23Å; N178-S197 PolarHBondContact O-OG 2.68Å; N178-D198 HydrophobicContact CB-CB 3.81Å; N178-D199 HydrophobicContact CB-CB 4.29Å
179	E	96.2	Very high	93.4	Very high	50 Å²	50	37.4 Å²	37.4	23%	0.234	19%	0.192	C	C	.	.			trans	-56.3	167.1	170.2	176.7	167.5	-178.3	0	0	112.5	N128 P145 S197 D198	N128-E179 WeakPolarHBondContact ND2-CG 3.45Å; N128-E179 PolarHBondContact ND2-OE1 3.46Å; P145-E179 VanDerWaalsContact CA-CD 3.43Å; P145-E179 WeakPolarHBondContact CA-OE2 3.41Å; P145-E179 WeakPolarHBondContact CB-OE2 3.22Å; E179-S197 WeakPolarHBondContact O-CA 3.43Å; E179-S197 VanDerWaalsContact O-CB 3.28Å; E179-S197 WeakPolarHBondContact O-CB 3.44Å; E179-S197 PolarHBondContact O-OG 3.14Å; E179-D198 PolarHBondContact O-N 2.97Å
180	G	96	Very high	94.9	Very high	0 Å²	0	40.3 Å²	40.3	0%	0	20%	0.203	C	C	.	.			trans	-174.9	165.5	168.6	0	0	0	0	0	112.9	K143	K143-G180 VanDerWaalsContact CB-O 3.23Å; K143-G180 WeakPolarHBondContact CB-O 3.39Å; K143-G180 WeakPolarHBondContact CD-O 3.17Å; K143-G180 WeakPolarHBondContact CG-O 3.48Å
181	Y	97.4	Very high	96	Very high	74 Å²	74	37.5 Å²	37.5	29%	0.29	19%	0.189	S	C	.	.			trans	-109.3	-29.2	-179.9	-64.2	-90.5	0	0	0	113.2	N128 R129 L183	N128-Y181 HydrophobicContact CB-CD1 3.69Å; N128-Y181 HydrophobicContact CB-CE1 3.69Å; R129-Y181 VanDerWaalsContact CB-O 3.31Å; R129-Y181 WeakPolarHBondContact CB-O 3.2Å; R129-Y181 WeakPolarHBondContact CG-O 3.46Å; R129-Y181 PolarHBondContact NE-O 2.8Å; Y181-L183 PolarHBondContact O-N 2.96Å
182	G	97.6	Very high	96.6	Very high	0 Å²	0	39.8 Å²	39.8	0%	0	20%	0.197	C	C	.	.			trans	-63.1	120.7	-177.5	0	0	0	0	0	112.6	S195 G196 E231	G182-S195 VanDerWaalsContact O-CA 3.26Å; G182-S195 WeakPolarHBondContact O-CA 3.48Å; G182-G196 PolarHBondContact O-N 2.93Å; G182-E231 WeakPolarHBondContact CA-O 3.28Å; G182-E231 PolarHBondContact N-O 2.92Å
183	L	98.4	Very high	97	Very high	6 Å²	6	36.3 Å²	36.3	3%	0.031	18%	0.184	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-155.3	115.3	-178.3	-169	70.8	0	0	0	110.8	R129 R131 A141 K143 V149 Y181 L193 L194	R129-L183 HydrophobicContact CB-CB 4.35Å; R129-L183 HydrophobicContact CB-CD2 4.49Å; R129-L183 HydrophobicContact CG-CB 4.15Å; R131-L183 HydrophobicContact CB-CD2 4.25Å; R131-L183 HydrophobicContact CG-CD2 4.3Å; A141-L183 HydrophobicContact CB-CD1 4.19Å; A141-L183 HydrophobicContact CB-CD2 4.04Å; A141-L183 HydrophobicContact CB-CG 4.47Å; A141-L183 VanDerWaalsContact O-CD2 3.3Å; A141-L183 WeakPolarHBondContact O-CD2 3.16Å; K143-L183 HydrophobicContact CG-CB 4.26Å; K143-L183 HydrophobicContact CG-CD1 4.28Å; K143-L183 HydrophobicContact CG-CD2 4.47Å; V149-L183 HydrophobicContact CG1-CD1 3.91Å; Y181-L183 PolarHBondContact O-N 2.96Å; L183-L193 HydrophobicContact CD1-CD1 3.79Å; L183-L193 HydrophobicContact CD1-CD2 4.03Å; L183-L193 HydrophobicContact CD1-CG 4.18Å; L183-L193 HydrophobicContact CG-CD1 4.19Å; L183-L194 WeakPolarHBondContact CA-O 3.34Å
184	S	98.5	Very high	97.2	Very high	25 Å²	25	36.3 Å²	36.3	18%	0.175	18%	0.184	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-144.1	123.4	-177.9	-177.6	0	0	0	0	112.7	L194 V233 W235	S184-L194 PolarHBondContact N-O 3.03Å; S184-L194 PolarHBondContact O-N 2.7Å; S184-V233 WeakPolarHBondContact CB-O 3.48Å; S184-W235 VanDerWaalsContact O-CD1 3.25Å; S184-W235 PolarHBondContact O-NE1 2.93Å; S184-W235 PolarHBondContact OG-N 3.07Å
185	W	98.6	Very high	97.4	Very high	13 Å²	13	34.1 Å²	34.1	5%	0.049	17%	0.171	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-80.6	143.3	171.8	-72.7	102.1	0	0	0	110.8	R131 M133 P134 A141 L151 P187 L193 V207	R131-W185 PolarHBondContact O-NE1 3.14Å; M133-W185 HydrophobicContact CB-CD2 3.88Å; M133-W185 HydrophobicContact CB-CE3 4.05Å; M133-W185 HydrophobicContact CB-CG 4.35Å; M133-W185 HydrophobicContact CB-CH2 4.42Å; M133-W185 HydrophobicContact CB-CZ2 4.22Å; M133-W185 HydrophobicContact CB-CZ3 4.35Å; M133-W185 HydrophobicContact CE-CE3 4.15Å; M133-W185 HydrophobicContact CE-CH2 3.61Å; M133-W185 HydrophobicContact CE-CZ2 4.37Å; M133-W185 HydrophobicContact CE-CZ3 3.49Å; M133-W185 VanDerWaalsContact CE-CZ3 3.49Å; M133-W185 HydrophobicContact CG-CD2 4.15Å; M133-W185 HydrophobicContact CG-CE3 3.86Å; M133-W185 HydrophobicContact CG-CZ3 4.2Å; P134-W185 HydrophobicContact CG-CB 4.36Å; A141-W185 HydrophobicContact CB-CZ2 3.55Å; L151-W185 HydrophobicContact CD1-CH2 3.69Å; L151-W185 HydrophobicContact CD1-CZ2 3.56Å; W185-P187 WeakPolarHBondContact O-CD 3.42Å; W185-L193 HydrophobicContact CD2-CB 4.29Å; W185-L193 HydrophobicContact CD2-CD1 3.6Å; W185-L193 HydrophobicContact CD2-CG 4.47Å; W185-L193 HydrophobicContact CE3-CB 3.8Å; W185-L193 HydrophobicContact CE3-CD1 4.02Å; W185-L193 HydrophobicContact CE3-CG 4.46Å; W185-L193 HydrophobicContact CG-CD1 3.84Å; W185-L193 HydrophobicContact CH2-CB 4.24Å; W185-L193 HydrophobicContact CH2-CD2 4.34Å; W185-L193 HydrophobicContact CZ2-CD1 4.22Å; W185-L193 HydrophobicContact CZ2-CD2 4.35Å; W185-L193 HydrophobicContact CZ3-CB 3.74Å; W185-L193 HydrophobicContact CZ3-CD1 4.44Å; W185-V207 HydrophobicContact CH2-CG1 4.07Å; W185-V207 HydrophobicContact CH2-CG2 3.96Å; W185-V207 HydrophobicContact CZ3-CG1 4.31Å; W185-V207 HydrophobicContact CZ3-CG2 3.95Å
186	S	98.4	Very high	97.6	Very high	0 Å²	0	33.4 Å²	33.4	0%	0	16%	0.164	C	C	.	.			trans	-71	125.7	171.9	-176.8	0	0	0	0	109.8	Q135 N188 I189 R192 W235	Q135-S186 PolarHBondContact NE2-O 2.91Å; S186-N188 VanDerWaalsContact C-N 3.27Å; S186-N188 PolarHBondContact OG-N 2.94Å; S186-I189 WeakPolarHBondContact CB-O 3.38Å; S186-I189 PolarHBondContact OG-N 2.89Å; S186-I189 VanDerWaalsContact OG-N 3.15Å; S186-R192 PolarHBondContact N-O 3.21Å; S186-W235 VanDerWaalsContact CA-CD1 3.5Å; S186-W235 VanDerWaalsContact N-CD1 3.29Å
187	P	97.2	Very high	97.6	Very high	50 Å²	50	33.2 Å²	33.2	33%	0.325	16%	0.163	S	C	.	.	S	Bend	trans	-73.5	-21.4	173	27.2	-28.8	0	0	0	112.4	Q135 W185 V237	Q135-P187 PolarHBondContact NE2-O 3.43Å; W185-P187 WeakPolarHBondContact O-CD 3.42Å; P187-V237 HydrophobicContact CG-CG1 4.37Å
188	N	97.4	Very high	97.7	Very high	67 Å²	67	28.7 Å²	28.7	36%	0.358	14%	0.143	S	C	.	.	S	Bend	trans	-96	-36.8	-174.1	-46.1	87	0	0	0	113.2	S186 V237 E240	S186-N188 VanDerWaalsContact C-N 3.27Å; S186-N188 PolarHBondContact OG-N 2.94Å; N188-V237 PolarHBondContact ND2-O 3.21Å; N188-V237 PolarHBondContact OD1-O 2.76Å; N188-E240 HydrophobicContact CB-CB 3.6Å
189	I	97.5	Very high	97.7	Very high	55 Å²	55	26.2 Å²	26.2	28%	0.282	13%	0.13	S	C	.	.	S	Bend	trans	-116	112.9	-175.9	-54.2	172.4	0	0	0	109.6	S186 G191 R192 E240	S186-I189 WeakPolarHBondContact CB-O 3.38Å; S186-I189 PolarHBondContact OG-N 2.89Å; S186-I189 VanDerWaalsContact OG-N 3.15Å; I189-G191 PolarHBondContact O-N 2.84Å; I189-R192 HydrophobicContact CB-CB 4.23Å; I189-R192 HydrophobicContact CB-CG 3.7Å; I189-R192 HydrophobicContact CG2-CB 4.37Å; I189-R192 HydrophobicContact CG2-CG 3.42Å; I189-R192 VanDerWaalsContact CG2-CG 3.42Å; I189-R192 WeakPolarHBondContact O-CB 3.28Å; I189-R192 PolarHBondContact O-N 2.91Å; I189-E240 HydrophobicContact CD1-CB 3.97Å; I189-E240 HydrophobicContact CD1-CG 4.33Å; I189-E240 HydrophobicContact CG1-CB 4.04Å
190	E	96.9	Very high	97.8	Very high	79 Å²	79	25.4 Å²	25.4	37%	0.369	13%	0.13	S	C	.	.	T	Hydrogen-bonded Turn	trans	-55.5	135.1	178	-174.3	176.9	-178	0	0	111.9	M133 Q135 Q136 R192 N208	M133-E190 HydrophobicContact SD-CG 3.85Å; Q135-E190 HydrophobicContact CB-CB 4.25Å; Q135-E190 HydrophobicContact CB-CG 3.96Å; Q135-E190 HydrophobicContact CG-CB 4.04Å; Q135-E190 HydrophobicContact CG-CG 4.31Å; Q136-E190 PolarHBondContact NE2-OE1 3.15Å; E190-R192 PolarHBondContact O-N 3.39Å; E190-N208 PolarHBondContact O-ND2 2.85Å; E190-N208 VanDerWaalsContact O-ND2 3.1Å
191	G	95.8	Very high	97.9	Very high	0 Å²	0	27.2 Å²	27.2	0%	0	14%	0.139	C	C	.	.	T	Hydrogen-bonded Turn	trans	73.1	4.9	177.5	0	0	0	0	0	115.7	I189 V207	I189-G191 PolarHBondContact O-N 2.84Å; G191-V207 WeakPolarHBondContact O-CG2 3.4Å; G191-V207 PolarHBondContact O-N 3.42Å
192	R	97.6	Very high	97.9	Very high	55 Å²	55	23.8 Å²	23.8	21%	0.208	13%	0.126	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-85.6	124.7	170.5	-72.3	-72.1	179.4	-80.5	17	110.6	S186 I189 E190 W205 D206 W235	S186-R192 PolarHBondContact N-O 3.21Å; I189-R192 HydrophobicContact CB-CB 4.23Å; I189-R192 HydrophobicContact CB-CG 3.7Å; I189-R192 HydrophobicContact CG2-CB 4.37Å; I189-R192 HydrophobicContact CG2-CG 3.42Å; I189-R192 VanDerWaalsContact CG2-CG 3.42Å; I189-R192 WeakPolarHBondContact O-CB 3.28Å; I189-R192 PolarHBondContact O-N 2.91Å; E190-R192 PolarHBondContact O-N 3.39Å; R192-W205 WeakPolarHBondContact CA-O 3.36Å; R192-D206 VanDerWaalsContact CZ-CG 3.49Å; R192-D206 IonicContact CZ-OD1 3.44Å; R192-D206 IonicContact CZ-OD2 3.68Å; R192-D206 IonicContact NH1-OD1 2.96Å; R192-D206 PolarHBondContact NH1-OD1 3.34Å; R192-D206 IonicContact NH1-OD2 2.85Å; R192-D206 PolarHBondContact NH1-OD2 3.08Å; R192-D206 IonicContact NH2-OD2 3.61Å; R192-D206 PolarHBondContact NH2-OD2 2.91Å; R192-W235 HydrophobicContact CB-CZ2 4.19Å
193	L	98.3	Very high	97.9	Very high	0 Å²	0	23.8 Å²	23.8	0%	0	13%	0.126	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-128	141.1	178.7	179	71	0	0	0	109.9	A141 V149 L173 L183 W185 L204 W205	A141-L193 HydrophobicContact CB-CD1 4.2Å; A141-L193 HydrophobicContact CB-CD2 3.73Å; V149-L193 HydrophobicContact CG1-CD2 4.03Å; L173-L193 HydrophobicContact CD1-CD2 3.68Å; L183-L193 HydrophobicContact CD1-CD1 3.79Å; L183-L193 HydrophobicContact CD1-CD2 4.03Å; L183-L193 HydrophobicContact CD1-CG 4.18Å; L183-L193 HydrophobicContact CG-CD1 4.19Å; W185-L193 HydrophobicContact CD2-CB 4.29Å; W185-L193 HydrophobicContact CD2-CD1 3.6Å; W185-L193 HydrophobicContact CD2-CG 4.47Å; W185-L193 HydrophobicContact CE3-CB 3.8Å; W185-L193 HydrophobicContact CE3-CD1 4.02Å; W185-L193 HydrophobicContact CE3-CG 4.46Å; W185-L193 HydrophobicContact CG-CD1 3.84Å; W185-L193 HydrophobicContact CH2-CB 4.24Å; W185-L193 HydrophobicContact CH2-CD2 4.34Å; W185-L193 HydrophobicContact CZ2-CD1 4.22Å; W185-L193 HydrophobicContact CZ2-CD2 4.35Å; W185-L193 HydrophobicContact CZ3-CB 3.74Å; W185-L193 HydrophobicContact CZ3-CD1 4.44Å; L193-L204 WeakPolarHBondContact O-CA 3.18Å; L193-W205 HydrophobicContact CB-CB 4.24Å; L193-W205 PolarHBondContact N-O 2.85Å; L193-W205 VanDerWaalsContact N-O 3.16Å; L193-W205 VanDerWaalsContact O-CD1 3.27Å; L193-W205 PolarHBondContact O-N 2.96Å
194	L	98.7	Very high	97.9	Very high	0 Å²	0	23.9 Å²	23.9	0%	0	13%	0.126	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-107.7	145.5	166.5	-71.2	167.3	0	0	0	109.9	L183 S184 I202 C203 L204 V233 W235 F243	L183-L194 WeakPolarHBondContact CA-O 3.34Å; S184-L194 PolarHBondContact N-O 3.03Å; S184-L194 PolarHBondContact O-N 2.7Å; L194-I202 HydrophobicContact CD2-CG2 3.94Å; L194-C203 WeakPolarHBondContact CA-O 3.09Å; L194-L204 HydrophobicContact CD2-CB 4.14Å; L194-L204 HydrophobicContact CD2-CD1 3.95Å; L194-L204 HydrophobicContact CG-CD1 4.47Å; L194-V233 HydrophobicContact CB-CB 4.27Å; L194-V233 HydrophobicContact CB-CG2 3.81Å; L194-W235 HydrophobicContact CD1-CD2 3.67Å; L194-W235 HydrophobicContact CD1-CE3 4.38Å; L194-W235 HydrophobicContact CD1-CG 3.88Å; L194-W235 HydrophobicContact CD1-CZ2 3.84Å; L194-W235 VanDerWaalsContact CD1-NE1 3.34Å; L194-W235 HydrophobicContact CD2-CZ2 4.13Å; L194-W235 HydrophobicContact CG-CD2 4.33Å; L194-W235 VanDerWaalsContact CG-CE2 3.49Å; L194-W235 HydrophobicContact CG-CZ2 3.67Å; L194-W235 VanDerWaalsContact CG-NE1 3.33Å; L194-F243 HydrophobicContact CD1-CB 3.43Å; L194-F243 VanDerWaalsContact CD1-CB 3.43Å; L194-F243 HydrophobicContact CD1-CD1 4.02Å; L194-F243 HydrophobicContact CD1-CD2 3.61Å; L194-F243 HydrophobicContact CD1-CE2 4.32Å; L194-F243 HydrophobicContact CD1-CG 3.43Å; L194-F243 VanDerWaalsContact CD1-CG 3.43Å; L194-F243 HydrophobicContact CD2-CD1 4.33Å; L194-F243 HydrophobicContact CD2-CD2 4.27Å; L194-F243 HydrophobicContact CD2-CE1 4.24Å; L194-F243 HydrophobicContact CD2-CE2 4.17Å; L194-F243 HydrophobicContact CD2-CG 4.35Å; L194-F243 HydrophobicContact CD2-CZ 4.15Å
195	S	98.6	Very high	97.8	Very high	0 Å²	0	22.7 Å²	22.7	0%	0	12%	0.118	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-138.4	137.2	167.2	58.6	0	0	0	0	112.3	K143 H176 G182 I202 C203 W205	K143-S195 VanDerWaalsContact CE-CB 3.5Å; H176-S195 PolarHBondContact CD2-OG 3.07Å; H176-S195 PolarHBondContact CE1-O 2.9Å; H176-S195 PolarHBondContact NE2-O 2.96Å; H176-S195 PolarHBondContact NE2-OG 3.21Å; G182-S195 VanDerWaalsContact O-CA 3.26Å; G182-S195 WeakPolarHBondContact O-CA 3.48Å; S195-I202 CarbonylContact O-C 3.58Å; S195-I202 VanDerWaalsContact O-CA 3.31Å; S195-I202 WeakPolarHBondContact O-CA 3.26Å; S195-C203 PolarHBondContact N-O 3.09Å; S195-C203 PolarHBondContact O-N 3.21Å; S195-W205 PolarHBondContact OG-NE1 2.99Å
196	G	98.2	Very high	97.7	Very high	0 Å²	0	23.4 Å²	23.4	0%	0	12%	0.123	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-101.2	162	168.5	0	0	0	0	0	111.1	K143 G182	K143-G196 WeakPolarHBondContact CE-O 3.27Å; K143-G196 PolarHBondContact NZ-O 3.15Å; G182-G196 PolarHBondContact O-N 2.93Å
197	S	98.1	Very high	97.4	Very high	0 Å²	0	23.9 Å²	23.9	0%	0	13%	0.126	C	C	.	.			trans	-163	163.6	-177.4	171.5	0	0	0	0	112.5	H176 N178 E179 D199 S200 V230	H176-S197 WeakPolarHBondContact ND1-CB 3.36Å; N178-S197 PolarHBondContact O-OG 2.68Å; E179-S197 WeakPolarHBondContact O-CA 3.43Å; E179-S197 VanDerWaalsContact O-CB 3.28Å; E179-S197 WeakPolarHBondContact O-CB 3.44Å; E179-S197 PolarHBondContact O-OG 3.14Å; S197-D199 WeakPolarHBondContact CB-OD1 3.5Å; S197-D199 PolarHBondContact O-N 2.99Å; S197-D199 VanDerWaalsContact O-N 3.16Å; S197-D199 PolarHBondContact OG-N 3.26Å; S197-D199 PolarHBondContact OG-OD1 3.46Å; S197-S200 PolarHBondContact O-N 2.99Å; S197-S200 VanDerWaalsContact O-N 3.17Å; S197-V230 PolarHBondContact N-O 3Å; S197-V230 PolarHBondContact O-N 2.89Å
198	D	98.2	Very high	97.1	Very high	49 Å²	49	25.8 Å²	25.8	26%	0.262	13%	0.133	S	C	.	.	T	Hydrogen-bonded Turn	trans	-64.2	-10.1	174.4	-55.8	14.5	0	0	0	113.6	N178 E179 S200 I229	N178-D198 HydrophobicContact CB-CB 3.81Å; E179-D198 PolarHBondContact O-N 2.97Å; D198-S200 PolarHBondContact O-N 2.96Å; D198-I229 HydrophobicContact CB-CD1 4.16Å; D198-I229 HydrophobicContact CB-CG1 4.04Å; D198-I229 HydrophobicContact CB-CG2 4.31Å; D198-I229 WeakPolarHBondContact OD1-CG2 3.49Å
199	D	97.8	Very high	96.3	Very high	28 Å²	28	25.4 Å²	25.4	15%	0.15	14%	0.14	C	C	.	.	T	Hydrogen-bonded Turn	trans	-80	8.6	171.7	65.9	5.1	0	0	0	113.9	H176 Q177 N178 S197 I201	H176-D199 WeakPolarHBondContact CA-OD2 3.44Å; H176-D199 VanDerWaalsContact CB-OD2 3.28Å; H176-D199 WeakPolarHBondContact CB-OD2 3.4Å; H176-D199 IonicContact CE1-OD1 3.8Å; H176-D199 IonicContact CG-OD2 3.69Å; H176-D199 IonicContact ND1-OD1 3.04Å; H176-D199 PolarHBondContact ND1-OD1 3.45Å; H176-D199 IonicContact ND1-OD2 3.87Å; H176-D199 PolarHBondContact ND1-OD2 3.07Å; Q177-D199 HydrophobicContact CB-CB 4.25Å; Q177-D199 PolarHBondContact N-OD2 2.9Å; N178-D199 HydrophobicContact CB-CB 4.29Å; S197-D199 WeakPolarHBondContact CB-OD1 3.5Å; S197-D199 PolarHBondContact O-N 2.99Å; S197-D199 VanDerWaalsContact O-N 3.16Å; S197-D199 PolarHBondContact OG-N 3.26Å; S197-D199 PolarHBondContact OG-OD1 3.46Å; D199-I201 HydrophobicContact CB-CG1 4.42Å; D199-I201 PolarHBondContact O-N 3.4Å; D199-I201 WeakPolarHBondContact OD1-CG1 3.47Å; D199-I201 PolarHBondContact OD1-N 3.2Å; D199-I201 WeakPolarHBondContact OD2-CG1 3.42Å
200	S	97.8	Very high	94.9	Very high	33 Å²	33	23.9 Å²	23.9	23%	0.231	13%	0.134	C	C	.	.	S	Bend	trans	66.1	15.2	174.6	-48	0	0	0	0	115	S197 D198 T228	S197-S200 PolarHBondContact O-N 2.99Å; S197-S200 VanDerWaalsContact O-N 3.17Å; D198-S200 PolarHBondContact O-N 2.96Å; S200-T228 VanDerWaalsContact CA-O 3.23Å; S200-T228 WeakPolarHBondContact CA-O 3.42Å; S200-T228 WeakPolarHBondContact CB-O 3.5Å; S200-T228 WeakPolarHBondContact OG-CA 3.44Å; S200-T228 PolarHBondContact OG-O 2.87Å
201	I	98	Very high	93	Very high	38 Å²	38	25.7 Å²	25.7	20%	0.195	15%	0.15	C	C	.	.			trans	-118.7	161.4	178.2	58.9	160.7	0	0	0	111.8	H176 D199 I222 Y223	H176-I201 PolarHBondContact CE1-O 3.22Å; D199-I201 HydrophobicContact CB-CG1 4.42Å; D199-I201 PolarHBondContact O-N 3.4Å; D199-I201 WeakPolarHBondContact OD1-CG1 3.47Å; D199-I201 PolarHBondContact OD1-N 3.2Å; D199-I201 WeakPolarHBondContact OD2-CG1 3.42Å; I201-I222 HydrophobicContact CB-CG2 3.92Å; I201-I222 HydrophobicContact CD1-CG2 3.65Å; I201-I222 HydrophobicContact CG1-CG2 4.34Å; I201-I222 HydrophobicContact CG2-CG2 4.16Å; I201-Y223 WeakPolarHBondContact CA-O 3.32Å
202	I	98.5	Very high	91.1	Very high	1 Å²	1	33.7 Å²	33.7	1%	0.005	19%	0.189	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-117	124.1	172.3	-59.5	149.1	0	0	0	107.8	L194 S195 I222 Y223 V230 V233 F243 S245 W255	L194-I202 HydrophobicContact CD2-CG2 3.94Å; S195-I202 CarbonylContact O-C 3.58Å; S195-I202 VanDerWaalsContact O-CA 3.31Å; S195-I202 WeakPolarHBondContact O-CA 3.26Å; I202-I222 WeakPolarHBondContact O-CA 3.31Å; I202-Y223 HydrophobicContact CG2-CD2 4.5Å; I202-Y223 PolarHBondContact N-O 2.97Å; I202-Y223 PolarHBondContact O-N 3.15Å; I202-V230 HydrophobicContact CD1-CG1 4.39Å; I202-V230 HydrophobicContact CG1-CG1 3.91Å; I202-V230 HydrophobicContact CG1-CG2 4.26Å; I202-V233 HydrophobicContact CD1-CG1 4.44Å; I202-V233 HydrophobicContact CG1-CG1 3.94Å; I202-V233 HydrophobicContact CG2-CG1 4.01Å; I202-F243 HydrophobicContact CD1-CE2 4.3Å; I202-F243 HydrophobicContact CG2-CE2 4.03Å; I202-F243 HydrophobicContact CG2-CZ 4.48Å; I202-S245 VanDerWaalsContact CD1-OG 3.24Å; I202-S245 WeakPolarHBondContact CD1-OG 3.2Å; I202-W255 HydrophobicContact CD1-CZ2 3.97Å
203	C	98.3	Very high	89.2	Confident	0 Å²	0	39.8 Å²	39.8	0%	0	22%	0.22	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-98.2	132.7	175.1	-70.6	0	0	0	0	110.6	L194 S195 W205 P219	L194-C203 WeakPolarHBondContact CA-O 3.09Å; S195-C203 PolarHBondContact N-O 3.09Å; S195-C203 PolarHBondContact O-N 3.21Å; C203-W205 HydrophobicContact CB-CD2 4.29Å; C203-W205 HydrophobicContact CB-CH2 4.06Å; C203-W205 HydrophobicContact CB-CZ2 3.23Å; C203-W205 PolarHBondContact O-NE1 2.81Å; C203-P219 HydrophobicContact CB-CB 3.95Å
204	L	98.2	Very high	87.7	Confident	9 Å²	9	48.6 Å²	48.6	5%	0.047	25%	0.253	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-103.2	127.2	168.2	173.1	64.1	0	0	0	109.5	L193 L194 P219 T220 T221 Y223 W235 T257	L193-L204 WeakPolarHBondContact O-CA 3.18Å; L194-L204 HydrophobicContact CD2-CB 4.14Å; L194-L204 HydrophobicContact CD2-CD1 3.95Å; L194-L204 HydrophobicContact CG-CD1 4.47Å; L204-P219 CarbonylContact O-C 3.41Å; L204-P219 WeakPolarHBondContact O-CA 3.25Å; L204-T220 PolarHBondContact O-N 2.92Å; L204-T221 PolarHBondContact N-O 2.87Å; L204-T221 PolarHBondContact O-N 3.19Å; L204-Y223 HydrophobicContact CB-CE2 3.87Å; L204-Y223 HydrophobicContact CD2-CE2 4.22Å; L204-W235 HydrophobicContact CD1-CH2 3.94Å; L204-W235 HydrophobicContact CD1-CZ2 3.52Å; L204-T257 HydrophobicContact CD2-CG2 4.39Å
205	W	96.8	Very high	86.9	Confident	0 Å²	0	53 Å²	53	0%	0	27%	0.274	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-115.8	145	-177.1	-42.4	91.1	0	0	0	111	L173 R192 L193 S195 C203 P219	L173-W205 HydrophobicContact CB-CD2 3.94Å; L173-W205 HydrophobicContact CB-CE3 3.66Å; L173-W205 HydrophobicContact CB-CH2 3.81Å; L173-W205 HydrophobicContact CB-CZ2 4.1Å; L173-W205 HydrophobicContact CB-CZ3 3.57Å; L173-W205 HydrophobicContact CD1-CB 4.11Å; L173-W205 HydrophobicContact CD1-CD2 3.82Å; L173-W205 HydrophobicContact CD1-CE3 4.22Å; L173-W205 HydrophobicContact CD1-CG 3.74Å; L173-W205 HydrophobicContact CD2-CE3 4.44Å; L173-W205 HydrophobicContact CG-CD2 4.41Å; L173-W205 HydrophobicContact CG-CE3 4.34Å; R192-W205 WeakPolarHBondContact CA-O 3.36Å; L193-W205 HydrophobicContact CB-CB 4.24Å; L193-W205 PolarHBondContact N-O 2.85Å; L193-W205 VanDerWaalsContact N-O 3.16Å; L193-W205 VanDerWaalsContact O-CD1 3.27Å; L193-W205 PolarHBondContact O-N 2.96Å; S195-W205 PolarHBondContact OG-NE1 2.99Å; C203-W205 HydrophobicContact CB-CD2 4.29Å; C203-W205 HydrophobicContact CB-CH2 4.06Å; C203-W205 HydrophobicContact CB-CZ2 3.23Å; C203-W205 PolarHBondContact O-NE1 2.81Å; W205-P219 HydrophobicContact CD2-CB 4.27Å; W205-P219 VanDerWaalsContact CE3-CA 3.44Å; W205-P219 HydrophobicContact CE3-CB 3.84Å; W205-P219 HydrophobicContact CH2-CB 4.07Å; W205-P219 HydrophobicContact CH2-CG 4.25Å; W205-P219 HydrophobicContact CZ2-CB 4.46Å; W205-P219 HydrophobicContact CZ3-CB 3.75Å; W205-P219 HydrophobicContact CZ3-CG 4.07Å
206	D	95.2	Very high	86.5	Confident	27 Å²	27	55.2 Å²	55.2	14%	0.144	29%	0.288	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-116	91.6	166.7	-176.8	-5.9	0	0	0	108.7	R192 N208 A209 L217 T220	R192-D206 VanDerWaalsContact CZ-CG 3.49Å; R192-D206 IonicContact CZ-OD1 3.44Å; R192-D206 IonicContact CZ-OD2 3.68Å; R192-D206 IonicContact NH1-OD1 2.96Å; R192-D206 PolarHBondContact NH1-OD1 3.34Å; R192-D206 IonicContact NH1-OD2 2.85Å; R192-D206 PolarHBondContact NH1-OD2 3.08Å; R192-D206 IonicContact NH2-OD2 3.61Å; R192-D206 PolarHBondContact NH2-OD2 2.91Å; D206-N208 PolarHBondContact O-N 2.78Å; D206-N208 PolarHBondContact OD1-N 3.03Å; D206-A209 HydrophobicContact CB-CB 3.96Å; D206-A209 WeakPolarHBondContact O-CB 3.23Å; D206-A209 PolarHBondContact O-N 3.3Å; D206-A209 VanDerWaalsContact O-N 3.15Å; D206-A209 PolarHBondContact OD1-N 3Å; D206-L217 VanDerWaalsContact O-CD2 3.27Å; D206-L217 WeakPolarHBondContact O-CD2 3.28Å; D206-T220 WeakPolarHBondContact CB-OG1 3.41Å; D206-T220 PolarHBondContact N-OG1 2.81Å
207	V	92.8	Very high	86.2	Confident	11 Å²	11	56.3 Å²	56.3	7%	0.067	29%	0.293	C	S	.	.	G	3₁₀ helix	trans	-69.7	-20.4	-175.1	-53.5	0	0	0	0	112.8	M133 L151 L171 L173 W185 G191 A209 S210 L217	M133-V207 HydrophobicContact CE-CG2 3.77Å; L151-V207 HydrophobicContact CD2-CB 4.1Å; L151-V207 HydrophobicContact CD2-CG1 4.18Å; L151-V207 HydrophobicContact CD2-CG2 4.38Å; L171-V207 HydrophobicContact CD2-CB 4.34Å; L173-V207 HydrophobicContact CD1-CG1 4.3Å; L173-V207 HydrophobicContact CD2-CG1 4.33Å; W185-V207 HydrophobicContact CH2-CG1 4.07Å; W185-V207 HydrophobicContact CH2-CG2 3.96Å; W185-V207 HydrophobicContact CZ3-CG1 4.31Å; W185-V207 HydrophobicContact CZ3-CG2 3.95Å; G191-V207 WeakPolarHBondContact O-CG2 3.4Å; G191-V207 PolarHBondContact O-N 3.42Å; V207-A209 VanDerWaalsContact C-N 3.35Å; V207-S210 WeakPolarHBondContact O-CB 3.12Å; V207-S210 PolarHBondContact O-N 3.11Å; V207-L217 HydrophobicContact CG1-CD2 4.38Å
208	N	89.8	Confident	86	Confident	89 Å²	89	62 Å²	62	48%	0.476	32%	0.32	S	S	.	.	G	3₁₀ helix	trans	-77.4	-20.8	175.8	-68.8	-27.7	0	0	0	112.6	E190 D206 S210	E190-N208 PolarHBondContact O-ND2 2.85Å; E190-N208 VanDerWaalsContact O-ND2 3.1Å; D206-N208 PolarHBondContact O-N 2.78Å; D206-N208 PolarHBondContact OD1-N 3.03Å; N208-S210 PolarHBondContact O-N 3.01Å
209	A	81.1	Confident	85.9	Confident	60 Å²	60	61 Å²	61	50%	0.496	32%	0.315	S	S	.	.	G	3₁₀ helix	trans	-70.6	-12	173.6	0	0	0	0	0	113.1	D206 V207 V211	D206-A209 HydrophobicContact CB-CB 3.96Å; D206-A209 WeakPolarHBondContact O-CB 3.23Å; D206-A209 PolarHBondContact O-N 3.3Å; D206-A209 VanDerWaalsContact O-N 3.15Å; D206-A209 PolarHBondContact OD1-N 3Å; V207-A209 VanDerWaalsContact C-N 3.35Å; A209-V211 PolarHBondContact O-N 3.07Å
210	S	68.7	Low	85.7	Confident	23 Å²	23	63.4 Å²	63.4	16%	0.161	33%	0.332	C	S	.	.			trans	-66.7	101.1	172.8	-174.3	0	0	0	0	110	V207 N208 M212	V207-S210 WeakPolarHBondContact O-CB 3.12Å; V207-S210 PolarHBondContact O-N 3.11Å; N208-S210 PolarHBondContact O-N 3.01Å; S210-M212 PolarHBondContact O-N 2.85Å; S210-M212 VanDerWaalsContact O-N 3.15Å
211	V	56.9	Low	85.7	Confident	116 Å²	116	63.6 Å²	63.6	70%	0.703	33%	0.331	S	S	*	.			trans	-59.9	118.6	159.7	-175.7	0	0	0	0	105.7	A209 E213 R214	A209-V211 PolarHBondContact O-N 3.07Å; V211-E213 PolarHBondContact O-N 3.4Å; V211-R214 PolarHBondContact O-N 2.66Å
212	M	55.2	Low	85.7	Confident	169 Å²	169	65.4 Å²	65.4	83%	0.833	34%	0.341	S	S	*	.	T	Hydrogen-bonded Turn	trans	-47.8	2	-166.9	-60.2	-128.2	96	0	0	118.3	S210	S210-M212 PolarHBondContact O-N 2.85Å; S210-M212 VanDerWaalsContact O-N 3.15Å
213	E	58.4	Low	85.7	Confident	182 Å²	182	65.7 Å²	65.7	85%	0.85	34%	0.342	S	S	*	.	T	Hydrogen-bonded Turn	trans	-94.4	-13.3	179.2	-63.7	-175	171.3	0	0	114.1	V211	V211-E213 PolarHBondContact O-N 3.4Å
214	R	65.8	Low	85.6	Confident	186 Å²	186	66.3 Å²	66.3	70%	0.702	35%	0.348	S	S	*	.			trans	-98.3	121.9	179.5	-66.6	-174.2	-178.9	-178.8	1.3	111.6	L171 V211 T216	L171-R214 VanDerWaalsContact CD1-O 3.24Å; L171-R214 WeakPolarHBondContact CD1-O 3.29Å; V211-R214 PolarHBondContact O-N 2.66Å; R214-T216 PolarHBondContact O-N 3.45Å
215	E	83.6	Confident	85.4	Confident	91 Å²	91	67.7 Å²	67.7	43%	0.425	36%	0.364	S	S	.	.	S	Bend	trans	-69.3	-12	171.8	-62.2	-179.9	-174.5	0	0	113.6	K168 R172	K168-E215 VanDerWaalsContact CE-CD 3.44Å; K168-E215 VanDerWaalsContact CE-OE1 3.3Å; K168-E215 WeakPolarHBondContact CE-OE1 3.36Å; K168-E215 VanDerWaalsContact NZ-CD 3.27Å; K168-E215 IonicContact NZ-OE1 2.61Å; K168-E215 PolarHBondContact NZ-OE1 3.45Å; K168-E215 IonicContact NZ-OE2 3.81Å; R172-E215 PolarHBondContact N-O 2.79Å; R172-E215 IonicContact NH2-OE2 2.96Å; R172-E215 PolarHBondContact NH2-OE2 2.88Å
216	T	89.2	Confident	85.4	Confident	48 Å²	48	68.3 Å²	68.3	29%	0.294	37%	0.367	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-130.9	136.1	-174.7	59.7	0	0	0	0	111.1	R172 V174 R214	R172-T216 HydrophobicContact CB-CG2 4.37Å; R172-T216 CarbonylContact O-C 3.49Å; R172-T216 WeakPolarHBondContact O-CA 3.45Å; V174-T216 HydrophobicContact CG2-CG2 4.23Å; R214-T216 PolarHBondContact O-N 3.45Å
217	L	92.3	Very high	85.5	Confident	23 Å²	23	71 Å²	71	12%	0.12	39%	0.393	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-121.1	140.1	174.8	-177.7	70.1	0	0	0	110	L171 R172 L173 V174 D206 V207	L171-L217 HydrophobicContact CD1-CB 4.22Å; L171-L217 HydrophobicContact CD2-CB 3.98Å; L171-L217 HydrophobicContact CD2-CD2 4.05Å; L171-L217 HydrophobicContact CG-CB 4.14Å; R172-L217 PolarHBondContact O-N 2.84Å; L173-L217 CarbonylContact C-O 3.51Å; L173-L217 WeakPolarHBondContact CA-O 3.35Å; L173-L217 HydrophobicContact CD2-CB 3.72Å; L173-L217 HydrophobicContact CD2-CD2 3.79Å; L173-L217 HydrophobicContact CD2-CG 4.25Å; V174-L217 PolarHBondContact N-O 2.93Å; D206-L217 VanDerWaalsContact O-CD2 3.27Å; D206-L217 WeakPolarHBondContact O-CD2 3.28Å; V207-L217 HydrophobicContact CG1-CD2 4.38Å
218	H	93.3	Very high	85.7	Confident	120 Å²	120	73.1 Å²	73.1	56%	0.556	41%	0.406	S	S	*	.			trans	-99.1	155	175	-65.8	86.3	0	0	0	109.8
219	P	95.8	Very high	86.1	Confident	26 Å²	26	70.9 Å²	70.9	17%	0.169	39%	0.394	C	S	.	.			trans	-64.6	141.1	-179	27.6	-34.7	0	0	0	110.7	V174 C203 L204 W205 T221 I222	V174-P219 VanDerWaalsContact O-CD 3.3Å; V174-P219 WeakPolarHBondContact O-CD 3.41Å; C203-P219 HydrophobicContact CB-CB 3.95Å; L204-P219 CarbonylContact O-C 3.41Å; L204-P219 WeakPolarHBondContact O-CA 3.25Å; W205-P219 HydrophobicContact CD2-CB 4.27Å; W205-P219 VanDerWaalsContact CE3-CA 3.44Å; W205-P219 HydrophobicContact CE3-CB 3.84Å; W205-P219 HydrophobicContact CH2-CB 4.07Å; W205-P219 HydrophobicContact CH2-CG 4.25Å; W205-P219 HydrophobicContact CZ2-CB 4.46Å; W205-P219 HydrophobicContact CZ3-CB 3.75Å; W205-P219 HydrophobicContact CZ3-CG 4.07Å; P219-T221 VanDerWaalsContact C-N 3.34Å; P219-I222 HydrophobicContact CB-CG1 4.03Å; P219-I222 HydrophobicContact CG-CD1 3.73Å; P219-I222 HydrophobicContact CG-CG1 3.57Å
220	T	95.1	Very high	86.9	Confident	80 Å²	80	68 Å²	68	49%	0.491	37%	0.37	S	S	.	.	S	Bend	trans	-67.8	-40.5	173.5	-53.8	0	0	0	0	110.3	L204 D206	L204-T220 PolarHBondContact O-N 2.92Å; D206-T220 WeakPolarHBondContact CB-OG1 3.41Å; D206-T220 PolarHBondContact N-OG1 2.81Å
221	T	97	Very high	88.3	Confident	37 Å²	37	68.5 Å²	68.5	23%	0.227	37%	0.37	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-143.2	141.6	179.2	-49.7	0	0	0	0	109.6	L204 P219 Y223 V262	L204-T221 PolarHBondContact N-O 2.87Å; L204-T221 PolarHBondContact O-N 3.19Å; P219-T221 VanDerWaalsContact C-N 3.34Å; T221-Y223 HydrophobicContact CG2-CD1 4.46Å; T221-Y223 HydrophobicContact CG2-CD2 4.23Å; T221-Y223 HydrophobicContact CG2-CE1 3.97Å; T221-Y223 HydrophobicContact CG2-CE2 3.7Å; T221-V262 HydrophobicContact CG2-CB 4.38Å; T221-V262 HydrophobicContact CG2-CG1 3.44Å; T221-V262 VanDerWaalsContact CG2-CG1 3.44Å
222	I	97.7	Very high	90.3	Very high	75 Å²	75	63.6 Å²	63.6	39%	0.385	34%	0.34	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-116.5	119	172.3	-58.7	174.4	0	0	0	107.6	I201 I202 P219 V262	I201-I222 HydrophobicContact CB-CG2 3.92Å; I201-I222 HydrophobicContact CD1-CG2 3.65Å; I201-I222 HydrophobicContact CG1-CG2 4.34Å; I201-I222 HydrophobicContact CG2-CG2 4.16Å; I202-I222 WeakPolarHBondContact O-CA 3.31Å; P219-I222 HydrophobicContact CB-CG1 4.03Å; P219-I222 HydrophobicContact CG-CD1 3.73Å; P219-I222 HydrophobicContact CG-CG1 3.57Å; I222-V262 WeakPolarHBondContact O-CB 3.11Å; I222-V262 WeakPolarHBondContact O-CG2 3.42Å
223	Y	98.2	Very high	92.3	Very high	7 Å²	7	55.6 Å²	55.6	3%	0.027	30%	0.3	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-96.8	134.8	175.9	-57.2	-90.2	0	0	0	109.8	I201 I202 L204 T221 F243 W255 V262	I201-Y223 WeakPolarHBondContact CA-O 3.32Å; I202-Y223 HydrophobicContact CG2-CD2 4.5Å; I202-Y223 PolarHBondContact N-O 2.97Å; I202-Y223 PolarHBondContact O-N 3.15Å; L204-Y223 HydrophobicContact CB-CE2 3.87Å; L204-Y223 HydrophobicContact CD2-CE2 4.22Å; T221-Y223 HydrophobicContact CG2-CD1 4.46Å; T221-Y223 HydrophobicContact CG2-CD2 4.23Å; T221-Y223 HydrophobicContact CG2-CE1 3.97Å; T221-Y223 HydrophobicContact CG2-CE2 3.7Å; Y223-F243 HydrophobicContact CD1-CZ 4.28Å; Y223-F243 HydrophobicContact CD2-CE1 4.34Å; Y223-F243 AromaticContact CD2-CZ 3.7Å; Y223-F243 HydrophobicContact CD2-CZ 3.7Å; Y223-F243 HydrophobicContact CE1-CE1 4.41Å; Y223-F243 HydrophobicContact CE1-CZ 4.34Å; Y223-F243 AromaticContact CE2-CE1 3.93Å; Y223-F243 HydrophobicContact CE2-CE1 3.93Å; Y223-F243 AromaticContact CE2-CZ 3.76Å; Y223-F243 HydrophobicContact CE2-CZ 3.76Å; Y223-F243 AromaticContact CG-CZ 3.98Å; Y223-F243 HydrophobicContact CG-CZ 3.98Å; Y223-F243 AromaticContact CZ-CE1 3.98Å; Y223-W255 HydrophobicContact CD1-CD2 4.43Å; Y223-W255 AromaticContact CD1-CE3 3.73Å; Y223-W255 HydrophobicContact CD1-CE3 3.73Å; Y223-W255 HydrophobicContact CD1-CZ3 4.02Å; Y223-W255 HydrophobicContact CG-CE3 4.25Å; Y223-W255 HydrophobicContact CG-CZ3 4.41Å; Y223-V262 WeakPolarHBondContact CA-O 3.42Å; Y223-V262 HydrophobicContact CD1-CB 4.04Å; Y223-V262 HydrophobicContact CD1-CG1 4.28Å; Y223-V262 HydrophobicContact CE1-CB 4.46Å; Y223-V262 HydrophobicContact CE1-CG1 4.21Å
224	G	96.4	Very high	94.2	Very high	14 Å²	14	47.5 Å²	47.5	14%	0.144	26%	0.264	C	S	.	.			trans	-136.6	94.1	-177.4	0	0	0	0	0	111.1	V262 R263	G224-V262 PolarHBondContact N-O 3.38Å; G224-R263 WeakPolarHBondContact O-CA 3.43Å; G224-R263 VanDerWaalsContact O-CD 3.27Å; G224-R263 WeakPolarHBondContact O-CD 3.2Å; G224-R263 PolarHBondContact O-NE 3.22Å
225	G	94.5	Very high	95.8	Very high	37 Å²	37	39.1 Å²	39.1	38%	0.381	23%	0.233	S	C	.	.			trans	-136.3	-25.1	180	0	0	0	0	0	114.5
226	H	97.4	Very high	96.5	Very high	14 Å²	14	34.8 Å²	34.8	7%	0.065	21%	0.213	C	C	.	.			trans	-70.9	148.4	172.1	-75.8	-82.9	0	0	0	111.2	V230 S245 D249 N251	H226-V230 HydrophobicContact CB-CG2 3.82Å; H226-S245 PolarHBondContact CD2-OG 3.2Å; H226-S245 WeakPolarHBondContact NE2-CB 3.38Å; H226-S245 PolarHBondContact NE2-OG 3.01Å; H226-D249 WeakPolarHBondContact CA-OD2 3.33Å; H226-D249 WeakPolarHBondContact CB-OD2 3.28Å; H226-D249 IonicContact CE1-OD1 3.88Å; H226-D249 IonicContact CG-OD2 2.78Å; H226-D249 VanDerWaalsContact ND1-CG 3.28Å; H226-D249 IonicContact ND1-OD1 3.81Å; H226-D249 PolarHBondContact ND1-OD1 3.18Å; H226-D249 IonicContact ND1-OD2 3.75Å; H226-D249 PolarHBondContact ND1-OD2 3.38Å; H226-N251 PolarHBondContact CE1-O 3.22Å
227	A	96.5	Very high	96.9	Very high	82 Å²	82	34.8 Å²	34.8	68%	0.678	21%	0.212	S	C	*	.	S	Bend	trans	-87.2	-22.9	178.8	0	0	0	0	0	113.4	D249	A227-D249 HydrophobicContact CB-CB 4.08Å; A227-D249 PolarHBondContact N-OD2 3.36Å
228	T	96.7	Very high	97.1	Very high	56 Å²	56	37.5 Å²	37.5	34%	0.344	23%	0.227	S	C	.	.	S	Bend	trans	-141	-159.6	-175.9	61.3	0	0	0	0	109.9	S200 D248 D249	S200-T228 VanDerWaalsContact CA-O 3.23Å; S200-T228 WeakPolarHBondContact CA-O 3.42Å; S200-T228 WeakPolarHBondContact CB-O 3.5Å; S200-T228 WeakPolarHBondContact OG-CA 3.44Å; S200-T228 PolarHBondContact OG-O 2.87Å; T228-D248 VanDerWaalsContact OG1-CB 3.26Å; T228-D248 WeakPolarHBondContact OG1-CB 3.3Å; T228-D249 WeakPolarHBondContact OG1-CB 3.12Å; T228-D249 PolarHBondContact OG1-N 3.16Å
229	I	97.8	Very high	97.3	Very high	42 Å²	42	34.9 Å²	34.9	22%	0.215	21%	0.214	C	C	.	.			trans	-52.2	136.9	-175.5	-58.1	-176.3	0	0	0	111.4	D198 E231 G247 D248	D198-I229 HydrophobicContact CB-CD1 4.16Å; D198-I229 HydrophobicContact CB-CG1 4.04Å; D198-I229 HydrophobicContact CB-CG2 4.31Å; D198-I229 WeakPolarHBondContact OD1-CG2 3.49Å; I229-E231 HydrophobicContact CG2-CG 4.37Å; I229-E231 VanDerWaalsContact CG2-OE1 3.28Å; I229-E231 WeakPolarHBondContact CG2-OE1 3.44Å; I229-G247 WeakPolarHBondContact O-CA 3.45Å; I229-D248 HydrophobicContact CB-CB 4.23Å; I229-D248 PolarHBondContact O-N 3.11Å
230	V	98.4	Very high	97.4	Very high	1 Å²	1	39 Å²	39	1%	0.006	23%	0.232	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-98.8	101.8	170.6	-176	0	0	0	0	108.6	S197 I202 H226 V233 V246	S197-V230 PolarHBondContact N-O 3Å; S197-V230 PolarHBondContact O-N 2.89Å; I202-V230 HydrophobicContact CD1-CG1 4.39Å; I202-V230 HydrophobicContact CG1-CG1 3.91Å; I202-V230 HydrophobicContact CG1-CG2 4.26Å; H226-V230 HydrophobicContact CB-CG2 3.82Å; V230-V233 HydrophobicContact CG1-CG1 3.91Å; V230-V246 CarbonylContact C-O 3.54Å
231	E	98	Very high	97.5	Very high	33 Å²	33	35.6 Å²	35.6	15%	0.154	21%	0.211	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-70.7	-46	-175.8	-73.9	-60.3	151.8	0	0	112.1	G182 I229 V246 V276	G182-E231 WeakPolarHBondContact CA-O 3.28Å; G182-E231 PolarHBondContact N-O 2.92Å; I229-E231 HydrophobicContact CG2-CG 4.37Å; I229-E231 VanDerWaalsContact CG2-OE1 3.28Å; I229-E231 WeakPolarHBondContact CG2-OE1 3.44Å; E231-V246 PolarHBondContact N-O 2.9Å; E231-V276 WeakPolarHBondContact CB-O 3.38Å
232	D	98.3	Very high	97.5	Very high	12 Å²	12	35.2 Å²	35.2	6%	0.064	21%	0.208	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-144.4	153.8	-176.5	-161.6	20.9	0	0	0	113.8	S245 V246 N277 C278 L279	D232-S245 WeakPolarHBondContact O-CA 3.36Å; D232-V246 HydrophobicContact CB-CG2 3.83Å; D232-V246 PolarHBondContact N-O 2.79Å; D232-V246 PolarHBondContact O-N 2.97Å; D232-N277 WeakPolarHBondContact CB-O 3.28Å; D232-C278 WeakPolarHBondContact OD2-CA 3.24Å; D232-L279 HydrophobicContact CB-CD2 3.91Å; D232-L279 PolarHBondContact OD2-N 2.77Å
233	V	98.7	Very high	97.6	Very high	1 Å²	1	31.7 Å²	31.7	1%	0.006	19%	0.189	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-138.7	136.8	178.4	-65.7	0	0	0	0	108.9	S184 L194 I202 V230 G244	S184-V233 WeakPolarHBondContact CB-O 3.48Å; L194-V233 HydrophobicContact CB-CB 4.27Å; L194-V233 HydrophobicContact CB-CG2 3.81Å; I202-V233 HydrophobicContact CD1-CG1 4.44Å; I202-V233 HydrophobicContact CG1-CG1 3.94Å; I202-V233 HydrophobicContact CG2-CG1 4.01Å; V230-V233 HydrophobicContact CG1-CG1 3.91Å; V233-G244 WeakPolarHBondContact CA-O 3.38Å
234	A	98.6	Very high	97.6	Very high	12 Å²	12	31.3 Å²	31.3	10%	0.099	19%	0.188	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-139.3	130.1	179.7	0	0	0	0	0	110.7	F243 G244 L279 F281	A234-F243 CarbonylContact O-C 3.53Å; A234-F243 WeakPolarHBondContact O-CA 3.47Å; A234-F243 VanDerWaalsContact O-CB 3.31Å; A234-F243 WeakPolarHBondContact O-CB 3.49Å; A234-G244 PolarHBondContact N-O 3.44Å; A234-G244 PolarHBondContact O-N 3.27Å; A234-L279 HydrophobicContact CB-CD1 4.25Å; A234-L279 HydrophobicContact CB-CD2 3.71Å; A234-L279 HydrophobicContact CB-CG 3.73Å; A234-F281 HydrophobicContact CB-CD2 4.02Å; A234-F281 HydrophobicContact CB-CE2 4.15Å; A234-F281 VanDerWaalsContact O-CE2 3.28Å; A234-F281 WeakPolarHBondContact O-CE2 3.13Å
235	W	98.7	Very high	97.7	Very high	11 Å²	11	30.7 Å²	30.7	4%	0.042	18%	0.181	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-66.7	144.6	165.8	-76.6	98.4	0	0	0	111.1	S184 S186 R192 L194 L204 E240 F243 T257 F281	S184-W235 VanDerWaalsContact O-CD1 3.25Å; S184-W235 PolarHBondContact O-NE1 2.93Å; S184-W235 PolarHBondContact OG-N 3.07Å; S186-W235 VanDerWaalsContact CA-CD1 3.5Å; S186-W235 VanDerWaalsContact N-CD1 3.29Å; R192-W235 HydrophobicContact CB-CZ2 4.19Å; L194-W235 HydrophobicContact CD1-CD2 3.67Å; L194-W235 HydrophobicContact CD1-CE3 4.38Å; L194-W235 HydrophobicContact CD1-CG 3.88Å; L194-W235 HydrophobicContact CD1-CZ2 3.84Å; L194-W235 VanDerWaalsContact CD1-NE1 3.34Å; L194-W235 HydrophobicContact CD2-CZ2 4.13Å; L194-W235 HydrophobicContact CG-CD2 4.33Å; L194-W235 VanDerWaalsContact CG-CE2 3.49Å; L194-W235 HydrophobicContact CG-CZ2 3.67Å; L194-W235 VanDerWaalsContact CG-NE1 3.33Å; L204-W235 HydrophobicContact CD1-CH2 3.94Å; L204-W235 HydrophobicContact CD1-CZ2 3.52Å; W235-E240 WeakPolarHBondContact CZ3-O 3.31Å; W235-F243 HydrophobicContact CD2-CB 4.28Å; W235-F243 HydrophobicContact CE3-CB 4.01Å; W235-F243 HydrophobicContact CZ3-CB 4.47Å; W235-F243 HydrophobicContact CZ3-CD1 4.27Å; W235-T257 HydrophobicContact CH2-CG2 3.89Å; W235-T257 HydrophobicContact CZ3-CG2 4.03Å; W235-F281 WeakPolarHBondContact O-CD2 3.47Å
236	H	98.3	Very high	97.8	Very high	0 Å²	0	28.9 Å²	28.9	0%	0	16%	0.163	C	C	.	.			trans	-67.9	134	163.5	-168.1	-64.5	0	0	0	109.5	L238 H239 I242 F281 E286	H236-L238 PolarHBondContact ND1-N 3.11Å; H236-L238 VanDerWaalsContact ND1-N 3.11Å; H236-H239 HydrophobicContact CB-CB 4.27Å; H236-H239 AromaticContact CE1-CD2 3.57Å; H236-H239 AromaticContact ND1-CD2 3.91Å; H236-H239 AromaticContact ND1-CG 3.96Å; H236-H239 PolarHBondContact ND1-N 3.3Å; H236-H239 VanDerWaalsContact ND1-N 3.16Å; H236-H239 AromaticContact NE2-CD2 3.73Å; H236-I242 HydrophobicContact CB-CB 3.93Å; H236-I242 HydrophobicContact CB-CG2 4.11Å; H236-I242 WeakPolarHBondContact CB-O 3.04Å; H236-I242 PolarHBondContact N-O 3.45Å; H236-F281 HydrophobicContact CB-CD1 4.34Å; H236-F281 HydrophobicContact CB-CE1 4.48Å; H236-F281 HydrophobicContact CB-CG 4.37Å; H236-F281 AromaticContact CD2-CD1 3.42Å; H236-F281 VanDerWaalsContact CD2-CD1 3.42Å; H236-F281 WeakPolarHBondContact CD2-CD1 3.37Å; H236-F281 AromaticContact CD2-CE1 3.7Å; H236-E286 PolarHBondContact NE2-O 3Å; H236-E286 VanDerWaalsContact NE2-O 3.11Å
237	V	97.1	Very high	97.8	Very high	47 Å²	47	28.2 Å²	28.2	29%	0.285	16%	0.16	S	C	.	.	S	Bend	trans	-72.7	-40.9	-172.8	-175	0	0	0	0	112.6	P187 N188 F281 P283	P187-V237 HydrophobicContact CG-CG1 4.37Å; N188-V237 PolarHBondContact ND2-O 3.21Å; N188-V237 PolarHBondContact OD1-O 2.76Å; V237-F281 HydrophobicContact CG2-CB 4.41Å; V237-P283 HydrophobicContact CB-CB 4.49Å; V237-P283 HydrophobicContact CG1-CB 4.08Å; V237-P283 HydrophobicContact CG2-CB 4.33Å
238	L	97.3	Very high	97.9	Very high	81 Å²	81	26.7 Å²	26.7	42%	0.424	14%	0.14	S	C	.	.	S	Bend	trans	-93.5	-14	-176.9	-55.8	175.2	0	0	0	114.9	H236 E286	H236-L238 PolarHBondContact ND1-N 3.11Å; H236-L238 VanDerWaalsContact ND1-N 3.11Å; L238-E286 HydrophobicContact CD1-CB 4.01Å
239	H	97.3	Very high	97.9	Very high	64 Å²	64	25.1 Å²	25.1	30%	0.296	13%	0.13	S	C	.	.			trans	-125.3	103.3	-173.4	-68.8	-38.4	0	0	0	110	H236 A241 I242 E286	H236-H239 HydrophobicContact CB-CB 4.27Å; H236-H239 AromaticContact CE1-CD2 3.57Å; H236-H239 AromaticContact ND1-CD2 3.91Å; H236-H239 AromaticContact ND1-CG 3.96Å; H236-H239 PolarHBondContact ND1-N 3.3Å; H236-H239 VanDerWaalsContact ND1-N 3.16Å; H236-H239 AromaticContact NE2-CD2 3.73Å; H239-A241 PolarHBondContact O-N 3.37Å; H239-I242 HydrophobicContact CB-CB 4.2Å; H239-I242 HydrophobicContact CB-CD1 3.96Å; H239-I242 HydrophobicContact CB-CG1 4.16Å; H239-I242 PolarHBondContact O-N 2.83Å; H239-I242 VanDerWaalsContact O-N 3.15Å; H239-E286 IonicContact CE1-OE2 3.89Å; H239-E286 IonicContact NE2-OE2 2.94Å
240	E	96.9	Very high	97.8	Very high	113 Å²	113	28.1 Å²	28.1	53%	0.528	14%	0.139	S	C	.	.	T	Hydrogen-bonded Turn	trans	-59.3	-20.8	-172.6	67.9	179.2	-165.5	0	0	115.5	N188 I189 W235	N188-E240 HydrophobicContact CB-CB 3.6Å; I189-E240 HydrophobicContact CD1-CB 3.97Å; I189-E240 HydrophobicContact CD1-CG 4.33Å; I189-E240 HydrophobicContact CG1-CB 4.04Å; W235-E240 WeakPolarHBondContact CZ3-O 3.31Å
241	A	97.1	Very high	97.7	Very high	8 Å²	8	29.6 Å²	29.6	7%	0.066	15%	0.146	C	C	.	.	T	Hydrogen-bonded Turn	trans	-99.3	-9.5	-174.7	0	0	0	0	0	113.7	H239 T257 R258	H239-A241 PolarHBondContact O-N 3.37Å; A241-T257 VanDerWaalsContact CA-OG1 3.23Å; A241-T257 WeakPolarHBondContact CA-OG1 3.16Å; A241-T257 WeakPolarHBondContact CB-OG1 3.36Å; A241-T257 WeakPolarHBondContact O-CG2 3.22Å; A241-T257 PolarHBondContact O-N 3.48Å; A241-T257 PolarHBondContact O-OG1 2.86Å; A241-R258 HydrophobicContact CB-CG 3.91Å
242	I	97.9	Very high	97.7	Very high	30 Å²	30	28 Å²	28	15%	0.154	14%	0.139	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-107.9	138.1	-171.4	-59.3	177.1	0	0	0	109.5	H236 H239 I254 W255	H236-I242 HydrophobicContact CB-CB 3.93Å; H236-I242 HydrophobicContact CB-CG2 4.11Å; H236-I242 WeakPolarHBondContact CB-O 3.04Å; H236-I242 PolarHBondContact N-O 3.45Å; H239-I242 HydrophobicContact CB-CB 4.2Å; H239-I242 HydrophobicContact CB-CD1 3.96Å; H239-I242 HydrophobicContact CB-CG1 4.16Å; H239-I242 PolarHBondContact O-N 2.83Å; H239-I242 VanDerWaalsContact O-N 3.15Å; I242-I254 HydrophobicContact CG2-CG2 3.89Å; I242-W255 WeakPolarHBondContact CA-O 3.39Å
243	F	98.6	Very high	97.7	Very high	0 Å²	0	27.5 Å²	27.5	0%	0	14%	0.136	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-145.2	161.3	169.3	69.1	-90.9	0	0	0	110.4	L194 I202 Y223 A234 W235 W255 T257	L194-F243 HydrophobicContact CD1-CB 3.43Å; L194-F243 VanDerWaalsContact CD1-CB 3.43Å; L194-F243 HydrophobicContact CD1-CD1 4.02Å; L194-F243 HydrophobicContact CD1-CD2 3.61Å; L194-F243 HydrophobicContact CD1-CE2 4.32Å; L194-F243 HydrophobicContact CD1-CG 3.43Å; L194-F243 VanDerWaalsContact CD1-CG 3.43Å; L194-F243 HydrophobicContact CD2-CD1 4.33Å; L194-F243 HydrophobicContact CD2-CD2 4.27Å; L194-F243 HydrophobicContact CD2-CE1 4.24Å; L194-F243 HydrophobicContact CD2-CE2 4.17Å; L194-F243 HydrophobicContact CD2-CG 4.35Å; L194-F243 HydrophobicContact CD2-CZ 4.15Å; I202-F243 HydrophobicContact CD1-CE2 4.3Å; I202-F243 HydrophobicContact CG2-CE2 4.03Å; I202-F243 HydrophobicContact CG2-CZ 4.48Å; Y223-F243 HydrophobicContact CD1-CZ 4.28Å; Y223-F243 HydrophobicContact CD2-CE1 4.34Å; Y223-F243 AromaticContact CD2-CZ 3.7Å; Y223-F243 HydrophobicContact CD2-CZ 3.7Å; Y223-F243 HydrophobicContact CE1-CE1 4.41Å; Y223-F243 HydrophobicContact CE1-CZ 4.34Å; Y223-F243 AromaticContact CE2-CE1 3.93Å; Y223-F243 HydrophobicContact CE2-CE1 3.93Å; Y223-F243 AromaticContact CE2-CZ 3.76Å; Y223-F243 HydrophobicContact CE2-CZ 3.76Å; Y223-F243 AromaticContact CG-CZ 3.98Å; Y223-F243 HydrophobicContact CG-CZ 3.98Å; Y223-F243 AromaticContact CZ-CE1 3.98Å; A234-F243 CarbonylContact O-C 3.53Å; A234-F243 WeakPolarHBondContact O-CA 3.47Å; A234-F243 VanDerWaalsContact O-CB 3.31Å; A234-F243 WeakPolarHBondContact O-CB 3.49Å; W235-F243 HydrophobicContact CD2-CB 4.28Å; W235-F243 HydrophobicContact CE3-CB 4.01Å; W235-F243 HydrophobicContact CZ3-CB 4.47Å; W235-F243 HydrophobicContact CZ3-CD1 4.27Å; F243-W255 HydrophobicContact CD1-CB 3.78Å; F243-W255 HydrophobicContact CD2-CB 3.95Å; F243-W255 AromaticContact CD2-CD1 3.6Å; F243-W255 AromaticContact CD2-CG 4Å; F243-W255 HydrophobicContact CD2-CG 4Å; F243-W255 HydrophobicContact CE1-CB 3.37Å; F243-W255 HydrophobicContact CE1-CG 4.06Å; F243-W255 HydrophobicContact CE2-CB 3.56Å; F243-W255 AromaticContact CE2-CD1 3.17Å; F243-W255 HydrophobicContact CE2-CD2 4.17Å; F243-W255 AromaticContact CE2-CG 3.35Å; F243-W255 HydrophobicContact CE2-CG 3.35Å; F243-W255 AromaticContact CE2-NE1 3.84Å; F243-W255 HydrophobicContact CG-CB 4.05Å; F243-W255 HydrophobicContact CZ-CB 3.25Å; F243-W255 AromaticContact CZ-CD1 3.74Å; F243-W255 HydrophobicContact CZ-CD2 4.06Å; F243-W255 AromaticContact CZ-CG 3.39Å; F243-W255 HydrophobicContact CZ-CG 3.39Å; F243-W255 PolarHBondContact N-O 3.3Å; F243-W255 PolarHBondContact O-N 2.79Å; F243-T257 HydrophobicContact CD1-CG2 3.88Å; F243-T257 HydrophobicContact CE1-CG2 3.76Å
244	G	98.5	Very high	97.6	Very high	0 Å²	0	27.9 Å²	27.9	0%	0	14%	0.138	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-115.1	157.7	174.4	0	0	0	0	0	111.4	V233 A234 L253 L279	V233-G244 WeakPolarHBondContact CA-O 3.38Å; A234-G244 PolarHBondContact N-O 3.44Å; A234-G244 PolarHBondContact O-N 3.27Å; G244-L253 CarbonylContact C-O 3.54Å; G244-L253 VanDerWaalsContact CA-O 3.25Å; G244-L253 WeakPolarHBondContact CA-O 2.92Å; G244-L279 VanDerWaalsContact C-CD1 3.41Å
245	S	98.6	Very high	97.6	Very high	0 Å²	0	27.5 Å²	27.5	0%	0	13%	0.134	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-143.3	151.2	170.6	61.9	0	0	0	0	111	I202 H226 D232 L253 W255	I202-S245 VanDerWaalsContact CD1-OG 3.24Å; I202-S245 WeakPolarHBondContact CD1-OG 3.2Å; H226-S245 PolarHBondContact CD2-OG 3.2Å; H226-S245 WeakPolarHBondContact NE2-CB 3.38Å; H226-S245 PolarHBondContact NE2-OG 3.01Å; D232-S245 WeakPolarHBondContact O-CA 3.36Å; S245-L253 PolarHBondContact N-O 2.89Å; S245-L253 PolarHBondContact O-N 2.91Å; S245-W255 PolarHBondContact OG-NE1 3.43Å
246	V	98.1	Very high	97.5	Very high	0 Å²	0	28.6 Å²	28.6	0%	0	14%	0.141	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-139.4	161.2	-180	-64.9	0	0	0	0	110.3	V230 E231 D232 N251 L252 V276 L279 T291	V230-V246 CarbonylContact C-O 3.54Å; E231-V246 PolarHBondContact N-O 2.9Å; D232-V246 HydrophobicContact CB-CG2 3.83Å; D232-V246 PolarHBondContact N-O 2.79Å; D232-V246 PolarHBondContact O-N 2.97Å; V246-N251 WeakPolarHBondContact CA-O 3.49Å; V246-L252 HydrophobicContact CG1-CB 4.33Å; V246-L252 HydrophobicContact CG1-CD1 3.8Å; V246-V276 HydrophobicContact CB-CB 3.86Å; V246-V276 HydrophobicContact CB-CG1 3.54Å; V246-V276 HydrophobicContact CG1-CB 4.35Å; V246-V276 HydrophobicContact CG1-CG1 3.62Å; V246-V276 HydrophobicContact CG2-CB 4.42Å; V246-V276 HydrophobicContact CG2-CG1 3.93Å; V246-V276 WeakPolarHBondContact CG2-O 3.47Å; V246-L279 HydrophobicContact CG1-CB 3.96Å; V246-L279 HydrophobicContact CG1-CD1 4.17Å; V246-L279 HydrophobicContact CG1-CG 4.45Å; V246-L279 HydrophobicContact CG2-CB 4.36Å; V246-L279 HydrophobicContact CG2-CD2 4.03Å; V246-T291 HydrophobicContact CG1-CG2 4.25Å
247	G	97.1	Very high	97.5	Very high	0 Å²	0	30.6 Å²	30.6	0%	0	15%	0.153	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-176	-164.7	178.2	0	0	0	0	0	115	I229 D249 R250 V276	I229-G247 WeakPolarHBondContact O-CA 3.45Å; G247-D249 PolarHBondContact O-N 2.83Å; G247-R250 PolarHBondContact O-N 3.13Å; G247-V276 PolarHBondContact N-O 3.25Å; G247-V276 PolarHBondContact O-N 3.47Å
248	D	96.9	Very high	97.4	Very high	49 Å²	49	36.7 Å²	36.7	26%	0.262	17%	0.171	S	C	.	.	T	Hydrogen-bonded Turn	trans	-66.4	-20.4	-175.4	-83.7	5.5	0	0	0	113.9	T228 I229 R250 E275	T228-D248 VanDerWaalsContact OG1-CB 3.26Å; T228-D248 WeakPolarHBondContact OG1-CB 3.3Å; I229-D248 HydrophobicContact CB-CB 4.23Å; I229-D248 PolarHBondContact O-N 3.11Å; D248-R250 WeakPolarHBondContact O-CG 3.43Å; D248-R250 PolarHBondContact O-N 3.5Å; D248-R250 VanDerWaalsContact O-N 3.15Å; D248-E275 HydrophobicContact CB-CG 4.16Å; D248-E275 WeakPolarHBondContact OD1-CG 2.85Å
249	D	96.7	Very high	97.3	Very high	24 Å²	24	35.3 Å²	35.3	13%	0.128	17%	0.168	C	C	.	.	T	Hydrogen-bonded Turn	trans	-75	4	174.6	70.9	-0.9	0	0	0	112.4	H226 A227 T228 G247 N251	H226-D249 WeakPolarHBondContact CA-OD2 3.33Å; H226-D249 WeakPolarHBondContact CB-OD2 3.28Å; H226-D249 IonicContact CE1-OD1 3.88Å; H226-D249 IonicContact CG-OD2 2.78Å; H226-D249 VanDerWaalsContact ND1-CG 3.28Å; H226-D249 IonicContact ND1-OD1 3.81Å; H226-D249 PolarHBondContact ND1-OD1 3.18Å; H226-D249 IonicContact ND1-OD2 3.75Å; H226-D249 PolarHBondContact ND1-OD2 3.38Å; A227-D249 HydrophobicContact CB-CB 4.08Å; A227-D249 PolarHBondContact N-OD2 3.36Å; T228-D249 WeakPolarHBondContact OG1-CB 3.12Å; T228-D249 PolarHBondContact OG1-N 3.16Å; G247-D249 PolarHBondContact O-N 2.83Å; D249-N251 VanDerWaalsContact CG-ND2 3.34Å; D249-N251 PolarHBondContact O-N 3.19Å; D249-N251 VanDerWaalsContact O-N 3.17Å; D249-N251 PolarHBondContact O-ND2 3.02Å; D249-N251 WeakPolarHBondContact OD1-CB 3.28Å; D249-N251 PolarHBondContact OD1-N 2.66Å; D249-N251 VanDerWaalsContact OD1-N 3.17Å; D249-N251 PolarHBondContact OD2-ND2 3.47Å
250	R	95.9	Very high	97	Very high	105 Å²	105	43.9 Å²	43.9	40%	0.396	20%	0.198	S	C	.	.			trans	68.9	6.9	173.6	-41.7	-178.6	-177.5	172.6	0.8	113.7	G247 D248 L270 A271 H272 D273 A274	G247-R250 PolarHBondContact O-N 3.13Å; D248-R250 WeakPolarHBondContact O-CG 3.43Å; D248-R250 PolarHBondContact O-N 3.5Å; D248-R250 VanDerWaalsContact O-N 3.15Å; R250-L270 HydrophobicContact CB-CD1 3.79Å; R250-A271 PolarHBondContact O-N 3.04Å; R250-H272 WeakPolarHBondContact CB-O 3.36Å; R250-D273 WeakPolarHBondContact CD-O 3.21Å; R250-D273 VanDerWaalsContact CZ-O 3.31Å; R250-D273 PolarHBondContact NH1-O 3.05Å; R250-A274 WeakPolarHBondContact CB-O 3.25Å; R250-A274 VanDerWaalsContact CG-O 3.28Å; R250-A274 WeakPolarHBondContact CG-O 3.43Å
251	N	96.7	Very high	96.8	Very high	32 Å²	32	42.4 Å²	42.4	17%	0.171	19%	0.193	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-96.8	141.6	-174	-61.2	-56.6	0	0	0	111.2	H226 V246 D249 L253 V268 V269	H226-N251 PolarHBondContact CE1-O 3.22Å; V246-N251 WeakPolarHBondContact CA-O 3.49Å; D249-N251 VanDerWaalsContact CG-ND2 3.34Å; D249-N251 PolarHBondContact O-N 3.19Å; D249-N251 VanDerWaalsContact O-N 3.17Å; D249-N251 PolarHBondContact O-ND2 3.02Å; D249-N251 WeakPolarHBondContact OD1-CB 3.28Å; D249-N251 PolarHBondContact OD1-N 2.66Å; D249-N251 VanDerWaalsContact OD1-N 3.17Å; D249-N251 PolarHBondContact OD2-ND2 3.47Å; N251-L253 HydrophobicContact CB-CD1 3.37Å; N251-V268 HydrophobicContact CB-CG1 4.32Å; N251-V269 CarbonylContact C-O 3.55Å; N251-V269 WeakPolarHBondContact CA-O 3.49Å
252	L	97.8	Very high	96.6	Very high	0 Å²	0	44.2 Å²	44.2	0%	0	20%	0.204	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-93.1	120.1	158.8	168.4	66.4	0	0	0	108.3	V246 I254 V269 A271 L279 L289 T291 W304 L309	V246-L252 HydrophobicContact CG1-CB 4.33Å; V246-L252 HydrophobicContact CG1-CD1 3.8Å; L252-I254 HydrophobicContact CD1-CD1 4.02Å; L252-I254 HydrophobicContact CG-CD1 4.24Å; L252-V269 HydrophobicContact CB-CB 4.42Å; L252-V269 PolarHBondContact N-O 3.31Å; L252-V269 PolarHBondContact O-N 3.47Å; L252-A271 HydrophobicContact CB-CB 3.78Å; L252-L279 HydrophobicContact CD1-CD1 3.95Å; L252-L289 HydrophobicContact CD1-CD1 4.01Å; L252-L289 HydrophobicContact CD2-CD1 3.85Å; L252-T291 HydrophobicContact CD1-CG2 4.27Å; L252-T291 HydrophobicContact CD2-CG2 4.26Å; L252-W304 HydrophobicContact CD2-CD2 4.5Å; L252-W304 HydrophobicContact CD2-CG 4.36Å; L252-L309 HydrophobicContact CD2-CD2 4.44Å
253	L	98.2	Very high	96.4	Very high	1 Å²	1	51.6 Å²	51.6	1%	0.005	23%	0.23	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-108.8	133.3	174.5	-83	62.9	0	0	0	109.7	G244 S245 N251 W255 H267 V268	G244-L253 CarbonylContact C-O 3.54Å; G244-L253 VanDerWaalsContact CA-O 3.25Å; G244-L253 WeakPolarHBondContact CA-O 2.92Å; S245-L253 PolarHBondContact N-O 2.89Å; S245-L253 PolarHBondContact O-N 2.91Å; N251-L253 HydrophobicContact CB-CD1 3.37Å; L253-W255 HydrophobicContact CB-CZ2 4.17Å; L253-W255 HydrophobicContact CD2-CH2 4.14Å; L253-W255 HydrophobicContact CD2-CZ2 3.46Å; L253-W255 VanDerWaalsContact CD2-CZ2 3.46Å; L253-W255 HydrophobicContact CG-CZ2 4.41Å; L253-H267 WeakPolarHBondContact CA-O 3.17Å; L253-V268 HydrophobicContact CD1-CG1 3.96Å; L253-V268 HydrophobicContact CG-CG1 4.47Å; L253-V268 HydrophobicContact CG-CG2 4.18Å
254	I	98.3	Very high	96.1	Very high	9 Å²	9	58.5 Å²	58.5	5%	0.046	26%	0.259	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-109.7	129.3	172.9	-54.6	-60.4	0	0	0	109	I242 L252 S265 S266 H267 F281 L289 L306 L309	I242-I254 HydrophobicContact CG2-CG2 3.89Å; L252-I254 HydrophobicContact CD1-CD1 4.02Å; L252-I254 HydrophobicContact CG-CD1 4.24Å; I254-S265 WeakPolarHBondContact O-CB 3.36Å; I254-S266 WeakPolarHBondContact O-CB 3.4Å; I254-S266 PolarHBondContact O-N 3.45Å; I254-H267 HydrophobicContact CB-CB 4.14Å; I254-H267 HydrophobicContact CG1-CB 4.31Å; I254-H267 PolarHBondContact N-O 2.93Å; I254-H267 VanDerWaalsContact N-O 3.12Å; I254-H267 PolarHBondContact O-N 3.34Å; I254-F281 HydrophobicContact CD1-CE1 4.43Å; I254-F281 HydrophobicContact CD1-CZ 4.06Å; I254-L289 HydrophobicContact CD1-CD1 4.3Å; I254-L306 HydrophobicContact CD1-CD2 3.84Å; I254-L306 HydrophobicContact CG1-CD2 3.96Å; I254-L306 HydrophobicContact CG2-CD2 4.47Å; I254-L309 HydrophobicContact CG1-CD1 3.88Å
255	W	98.3	Very high	95.9	Very high	3 Å²	3	59 Å²	59	1%	0.011	26%	0.263	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-117.2	145.4	-173.6	-57.1	90	0	0	0	110.9	I202 Y223 I242 F243 S245 L253	I202-W255 HydrophobicContact CD1-CZ2 3.97Å; Y223-W255 HydrophobicContact CD1-CD2 4.43Å; Y223-W255 AromaticContact CD1-CE3 3.73Å; Y223-W255 HydrophobicContact CD1-CE3 3.73Å; Y223-W255 HydrophobicContact CD1-CZ3 4.02Å; Y223-W255 HydrophobicContact CG-CE3 4.25Å; Y223-W255 HydrophobicContact CG-CZ3 4.41Å; I242-W255 WeakPolarHBondContact CA-O 3.39Å; F243-W255 HydrophobicContact CD1-CB 3.78Å; F243-W255 HydrophobicContact CD2-CB 3.95Å; F243-W255 AromaticContact CD2-CD1 3.6Å; F243-W255 AromaticContact CD2-CG 4Å; F243-W255 HydrophobicContact CD2-CG 4Å; F243-W255 HydrophobicContact CE1-CB 3.37Å; F243-W255 HydrophobicContact CE1-CG 4.06Å; F243-W255 HydrophobicContact CE2-CB 3.56Å; F243-W255 AromaticContact CE2-CD1 3.17Å; F243-W255 HydrophobicContact CE2-CD2 4.17Å; F243-W255 AromaticContact CE2-CG 3.35Å; F243-W255 HydrophobicContact CE2-CG 3.35Å; F243-W255 AromaticContact CE2-NE1 3.84Å; F243-W255 HydrophobicContact CG-CB 4.05Å; F243-W255 HydrophobicContact CZ-CB 3.25Å; F243-W255 AromaticContact CZ-CD1 3.74Å; F243-W255 HydrophobicContact CZ-CD2 4.06Å; F243-W255 AromaticContact CZ-CG 3.39Å; F243-W255 HydrophobicContact CZ-CG 3.39Å; F243-W255 PolarHBondContact N-O 3.3Å; F243-W255 PolarHBondContact O-N 2.79Å; S245-W255 PolarHBondContact OG-NE1 3.43Å; L253-W255 HydrophobicContact CB-CZ2 4.17Å; L253-W255 HydrophobicContact CD2-CH2 4.14Å; L253-W255 HydrophobicContact CD2-CZ2 3.46Å; L253-W255 VanDerWaalsContact CD2-CZ2 3.46Å; L253-W255 HydrophobicContact CG-CZ2 4.41Å
256	D	97.2	Very high	95.7	Very high	34 Å²	34	62 Å²	62	18%	0.182	28%	0.284	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-120.2	114.2	170.1	-171.1	-24.7	0	0	0	108.7	R258 S259	D256-R258 PolarHBondContact O-N 2.93Å; D256-R258 VanDerWaalsContact O-N 3.13Å; D256-R258 WeakPolarHBondContact OD1-CB 3.4Å; D256-R258 WeakPolarHBondContact OD1-CG 3.38Å; D256-R258 IonicContact OD1-CZ 2.96Å; D256-R258 PolarHBondContact OD1-N 2.9Å; D256-R258 IonicContact OD1-NE 3.84Å; D256-R258 PolarHBondContact OD1-NE 2.92Å; D256-R258 IonicContact OD1-NH2 3.04Å; D256-R258 IonicContact OD2-CZ 3.99Å; D256-R258 VanDerWaalsContact OD2-CZ 3.3Å; D256-R258 IonicContact OD2-NE 4Å; D256-R258 PolarHBondContact OD2-NE 3.33Å; D256-R258 VanDerWaalsContact OD2-NE 3.14Å; D256-R258 IonicContact OD2-NH2 2.95Å; D256-R258 PolarHBondContact OD2-NH2 2.95Å; D256-S259 VanDerWaalsContact O-CB 3.23Å; D256-S259 WeakPolarHBondContact O-CB 3.47Å; D256-S259 PolarHBondContact O-N 3.17Å
257	T	96.6	Very high	95.6	Very high	42 Å²	42	66.5 Å²	66.5	26%	0.258	31%	0.305	S	S	.	.	T	Hydrogen-bonded Turn	trans	-63.2	-16.3	-179.5	57.4	0	0	0	0	113.5	L204 W235 A241 F243 S259	L204-T257 HydrophobicContact CD2-CG2 4.39Å; W235-T257 HydrophobicContact CH2-CG2 3.89Å; W235-T257 HydrophobicContact CZ3-CG2 4.03Å; A241-T257 VanDerWaalsContact CA-OG1 3.23Å; A241-T257 WeakPolarHBondContact CA-OG1 3.16Å; A241-T257 WeakPolarHBondContact CB-OG1 3.36Å; A241-T257 WeakPolarHBondContact O-CG2 3.22Å; A241-T257 PolarHBondContact O-N 3.48Å; A241-T257 PolarHBondContact O-OG1 2.86Å; F243-T257 HydrophobicContact CD1-CG2 3.88Å; F243-T257 HydrophobicContact CE1-CG2 3.76Å; T257-S259 VanDerWaalsContact C-N 3.3Å
258	R	95.7	Very high	95.5	Very high	176 Å²	176	71 Å²	71	66%	0.664	33%	0.332	S	S	*	.	T	Hydrogen-bonded Turn	trans	-76.6	-19.6	174	-57.9	168.4	-67.4	-172.5	-0.1	112	A241 D256	A241-R258 HydrophobicContact CB-CG 3.91Å; D256-R258 PolarHBondContact O-N 2.93Å; D256-R258 VanDerWaalsContact O-N 3.13Å; D256-R258 WeakPolarHBondContact OD1-CB 3.4Å; D256-R258 WeakPolarHBondContact OD1-CG 3.38Å; D256-R258 IonicContact OD1-CZ 2.96Å; D256-R258 PolarHBondContact OD1-N 2.9Å; D256-R258 IonicContact OD1-NE 3.84Å; D256-R258 PolarHBondContact OD1-NE 2.92Å; D256-R258 IonicContact OD1-NH2 3.04Å; D256-R258 IonicContact OD2-CZ 3.99Å; D256-R258 VanDerWaalsContact OD2-CZ 3.3Å; D256-R258 IonicContact OD2-NE 4Å; D256-R258 PolarHBondContact OD2-NE 3.33Å; D256-R258 VanDerWaalsContact OD2-NE 3.14Å; D256-R258 IonicContact OD2-NH2 2.95Å; D256-R258 PolarHBondContact OD2-NH2 2.95Å
259	S	94.4	Very high	95.5	Very high	52 Å²	52	69.5 Å²	69.5	36%	0.364	33%	0.325	S	S	.	.			trans	-69.6	136.5	174	-175.9	0	0	0	0	110.5	D256 T257 D261	D256-S259 VanDerWaalsContact O-CB 3.23Å; D256-S259 WeakPolarHBondContact O-CB 3.47Å; D256-S259 PolarHBondContact O-N 3.17Å; T257-S259 VanDerWaalsContact C-N 3.3Å; S259-D261 PolarHBondContact OG-N 3.21Å
260	R	91.1	Very high	95.4	Very high	244 Å²	244	73.4 Å²	73.4	92%	0.921	35%	0.345	S	S	*	.	S	Bend	trans	-82.3	-17.4	175.8	-64.1	-173.6	178.8	-159.7	-0.9	113.1	V262	R260-V262 PolarHBondContact O-N 3.26Å
261	D	93.8	Very high	95.3	Very high	81 Å²	81	68.5 Å²	68.5	43%	0.433	33%	0.327	S	S	.	.			trans	-90	96.2	-179.6	-169.3	-10.5	0	0	0	110	S259 R263 K264	S259-D261 PolarHBondContact OG-N 3.21Å; D261-R263 PolarHBondContact O-N 3.3Å; D261-R263 PolarHBondContact OD1-N 2.83Å; D261-K264 HydrophobicContact CB-CB 4.18Å; D261-K264 PolarHBondContact O-N 3.18Å; D261-K264 PolarHBondContact OD1-N 3.19Å; D261-K264 WeakPolarHBondContact OD2-CB 3.45Å
262	V	93.1	Very high	95.2	Very high	46 Å²	46	67.2 Å²	67.2	28%	0.279	32%	0.32	S	S	.	.	T	Hydrogen-bonded Turn	trans	-74.9	-7.3	-179.1	-57.4	0	0	0	0	113.4	T221 I222 Y223 G224 R260	T221-V262 HydrophobicContact CG2-CB 4.38Å; T221-V262 HydrophobicContact CG2-CG1 3.44Å; T221-V262 VanDerWaalsContact CG2-CG1 3.44Å; I222-V262 WeakPolarHBondContact O-CB 3.11Å; I222-V262 WeakPolarHBondContact O-CG2 3.42Å; Y223-V262 WeakPolarHBondContact CA-O 3.42Å; Y223-V262 HydrophobicContact CD1-CB 4.04Å; Y223-V262 HydrophobicContact CD1-CG1 4.28Å; Y223-V262 HydrophobicContact CE1-CB 4.46Å; Y223-V262 HydrophobicContact CE1-CG1 4.21Å; G224-V262 PolarHBondContact N-O 3.38Å; R260-V262 PolarHBondContact O-N 3.26Å
263	R	92.6	Very high	94.9	Very high	186 Å²	186	72.4 Å²	72.4	70%	0.702	35%	0.348	S	S	*	.	T	Hydrogen-bonded Turn	trans	-99.2	-7.4	178.3	-60	-62.2	-66.3	-97.5	-2	112.7	G224 D261	G224-R263 WeakPolarHBondContact O-CA 3.43Å; G224-R263 VanDerWaalsContact O-CD 3.27Å; G224-R263 WeakPolarHBondContact O-CD 3.2Å; G224-R263 PolarHBondContact O-NE 3.22Å; D261-R263 PolarHBondContact O-N 3.3Å; D261-R263 PolarHBondContact OD1-N 2.83Å
264	K	92.4	Very high	94.7	Very high	144 Å²	144	72.9 Å²	72.9	63%	0.626	35%	0.352	S	S	*	.			trans	-123	104.2	-178.2	-173.8	177.4	178.9	-178.2	0	109.7	D261	D261-K264 HydrophobicContact CB-CB 4.18Å; D261-K264 PolarHBondContact O-N 3.18Å; D261-K264 PolarHBondContact OD1-N 3.19Å; D261-K264 WeakPolarHBondContact OD2-CB 3.45Å
265	S	94.4	Very high	94.6	Very high	12 Å²	12	75.7 Å²	75.7	8%	0.084	37%	0.365	C	S	.	.			trans	-64.4	156.2	168.5	63.1	0	0	0	0	110.5	I254 H267 V268	I254-S265 WeakPolarHBondContact O-CB 3.36Å; S265-H267 VanDerWaalsContact C-N 3.31Å; S265-H267 WeakPolarHBondContact CB-O 3.39Å; S265-H267 PolarHBondContact OG-O 2.77Å; S265-V268 WeakPolarHBondContact OG-CG2 3.28Å
266	S	94.5	Very high	94.5	Very high	62 Å²	62	75.5 Å²	75.5	43%	0.434	36%	0.364	S	S	.	.	S	Bend	trans	-66.3	-38.7	176.1	-58.9	0	0	0	0	110.8	I254	I254-S266 WeakPolarHBondContact O-CB 3.4Å; I254-S266 PolarHBondContact O-N 3.45Å
267	H	95.8	Very high	94.5	Very high	95 Å²	95	75 Å²	75	44%	0.44	36%	0.361	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-135.4	147.2	174.8	-62.1	-87.8	0	0	0	110.9	L253 I254 S265 L309	L253-H267 WeakPolarHBondContact CA-O 3.17Å; I254-H267 HydrophobicContact CB-CB 4.14Å; I254-H267 HydrophobicContact CG1-CB 4.31Å; I254-H267 PolarHBondContact N-O 2.93Å; I254-H267 VanDerWaalsContact N-O 3.12Å; I254-H267 PolarHBondContact O-N 3.34Å; S265-H267 VanDerWaalsContact C-N 3.31Å; S265-H267 WeakPolarHBondContact CB-O 3.39Å; S265-H267 PolarHBondContact OG-O 2.77Å; H267-L309 HydrophobicContact CB-CD1 3.75Å
268	V	96.4	Very high	94.5	Very high	94 Å²	94	73 Å²	73	57%	0.57	35%	0.349	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-131.6	123.3	169.2	-176.6	0	0	0	0	106.1	N251 L253 S265	N251-V268 HydrophobicContact CB-CG1 4.32Å; L253-V268 HydrophobicContact CD1-CG1 3.96Å; L253-V268 HydrophobicContact CG-CG1 4.47Å; L253-V268 HydrophobicContact CG-CG2 4.18Å; S265-V268 WeakPolarHBondContact OG-CG2 3.28Å
269	V	95.6	Very high	94.7	Very high	18 Å²	18	64.8 Å²	64.8	11%	0.109	32%	0.318	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-133.7	126.6	-173.9	-176.3	0	0	0	0	107.5	N251 L252 A271 W304 L309	N251-V269 CarbonylContact C-O 3.55Å; N251-V269 WeakPolarHBondContact CA-O 3.49Å; L252-V269 HydrophobicContact CB-CB 4.42Å; L252-V269 PolarHBondContact N-O 3.31Å; L252-V269 PolarHBondContact O-N 3.47Å; V269-A271 PolarHBondContact O-N 2.94Å; V269-W304 HydrophobicContact CG1-CH2 3.92Å; V269-W304 HydrophobicContact CG1-CZ3 3.8Å; V269-L309 VanDerWaalsContact CG1-O 3.28Å; V269-L309 WeakPolarHBondContact CG1-O 3.48Å; V269-L309 HydrophobicContact CG2-CB 3.53Å; V269-L309 HydrophobicContact CG2-CD1 3.98Å; V269-L309 HydrophobicContact CG2-CG 4.29Å
270	L	95.3	Very high	94.9	Very high	106 Å²	106	63.4 Å²	63.4	56%	0.555	31%	0.309	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-68.9	101.1	166.4	-176.7	68.2	0	0	0	107.2	R250	R250-L270 HydrophobicContact CB-CD1 3.79Å
271	A	93.1	Very high	95.2	Very high	2 Å²	2	52 Å²	52	2%	0.017	27%	0.266	C	S	.	.			trans	-81.5	-38.7	-169.8	0	0	0	0	0	111.3	R250 L252 V269 V276 W304 K312	R250-A271 PolarHBondContact O-N 3.04Å; L252-A271 HydrophobicContact CB-CB 3.78Å; V269-A271 PolarHBondContact O-N 2.94Å; A271-V276 HydrophobicContact CB-CG2 4.29Å; A271-W304 HydrophobicContact CB-CH2 4.42Å; A271-W304 HydrophobicContact CB-CZ2 3.75Å; A271-W304 WeakPolarHBondContact O-CZ2 3.46Å; A271-K312 WeakPolarHBondContact O-CE 3.41Å; A271-K312 PolarHBondContact O-NZ 2.87Å; A271-K312 VanDerWaalsContact O-NZ 3.11Å
272	H	93.9	Very high	95.4	Very high	4 Å²	4	48.4 Å²	48.4	2%	0.019	25%	0.246	C	C	.	.			trans	-142.1	166.1	-176.8	-66.7	-86	0	0	0	111.4	R250 A274 V276 T291 S293 T300 A302 K312	R250-H272 WeakPolarHBondContact CB-O 3.36Å; H272-A274 VanDerWaalsContact C-N 3.27Å; H272-V276 HydrophobicContact CB-CG2 3.94Å; H272-T291 PolarHBondContact NE2-OG1 2.9Å; H272-S293 WeakPolarHBondContact CB-OG 3.01Å; H272-S293 WeakPolarHBondContact ND1-CB 3.13Å; H272-T300 PolarHBondContact CE1-OG1 3.29Å; H272-T300 PolarHBondContact ND1-OG1 3.2Å; H272-A302 WeakPolarHBondContact CE1-CB 3.25Å; H272-K312 PolarHBondContact ND1-NZ 3.04Å
273	D	92.6	Very high	95.6	Very high	110 Å²	110	47.9 Å²	47.9	59%	0.588	24%	0.244	S	C	*	.	S	Bend	trans	-81.9	-9.1	176.8	-70.1	-43.3	0	0	0	112.9	R250	R250-D273 WeakPolarHBondContact CD-O 3.21Å; R250-D273 VanDerWaalsContact CZ-O 3.31Å; R250-D273 PolarHBondContact NH1-O 3.05Å
274	A	94.2	Very high	95.8	Very high	11 Å²	11	43.4 Å²	43.4	9%	0.091	23%	0.23	C	C	.	.	S	Bend	trans	-130.9	-175	173.3	0	0	0	0	0	111.6	R250 H272 D295	R250-A274 WeakPolarHBondContact CB-O 3.25Å; R250-A274 VanDerWaalsContact CG-O 3.28Å; R250-A274 WeakPolarHBondContact CG-O 3.43Å; H272-A274 VanDerWaalsContact C-N 3.27Å; A274-D295 VanDerWaalsContact CB-CA 3.4Å; A274-D295 HydrophobicContact CB-CB 3.59Å
275	E	94.9	Very high	96.1	Very high	67 Å²	67	38.3 Å²	38.3	31%	0.313	21%	0.212	S	C	.	.			trans	-58.3	145	-178.4	-59.5	70.8	-153.2	0	0	111.5	D248 S293 A294	D248-E275 HydrophobicContact CB-CG 4.16Å; D248-E275 WeakPolarHBondContact OD1-CG 2.85Å; E275-S293 WeakPolarHBondContact O-CA 3.19Å; E275-S293 PolarHBondContact O-OG 3.29Å; E275-A294 HydrophobicContact CB-CB 4.04Å; E275-A294 PolarHBondContact O-N 2.85Å
276	V	97.1	Very high	96.2	Very high	0 Å²	0	41 Å²	41	0%	0	22%	0.224	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-114.2	108.7	-176.4	-173.1	0	0	0	0	109.1	E231 V246 G247 A271 H272 G292	E231-V276 WeakPolarHBondContact CB-O 3.38Å; V246-V276 HydrophobicContact CB-CB 3.86Å; V246-V276 HydrophobicContact CB-CG1 3.54Å; V246-V276 HydrophobicContact CG1-CB 4.35Å; V246-V276 HydrophobicContact CG1-CG1 3.62Å; V246-V276 HydrophobicContact CG2-CB 4.42Å; V246-V276 HydrophobicContact CG2-CG1 3.93Å; V246-V276 WeakPolarHBondContact CG2-O 3.47Å; G247-V276 PolarHBondContact N-O 3.25Å; G247-V276 PolarHBondContact O-N 3.47Å; A271-V276 HydrophobicContact CB-CG2 4.29Å; H272-V276 HydrophobicContact CB-CG2 3.94Å; V276-G292 WeakPolarHBondContact CG1-O 3.5Å
277	N	96.9	Very high	96.3	Very high	23 Å²	23	41.9 Å²	41.9	12%	0.123	22%	0.218	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-85	-28.1	-167.7	-64.7	-27.5	0	0	0	113.5	D232 G292 V323	D232-N277 WeakPolarHBondContact CB-O 3.28Å; N277-G292 PolarHBondContact N-O 3.26Å; N277-V323 VanDerWaalsContact CB-O 3.31Å; N277-V323 WeakPolarHBondContact CB-O 3.5Å; N277-V323 PolarHBondContact ND2-O 3.42Å
278	C	97.6	Very high	96.4	Very high	0 Å²	0	38.6 Å²	38.6	0%	0	20%	0.203	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-153.8	156.2	-173.3	55.7	0	0	0	0	112.8	D232 T291 G292 Q325 I326	D232-C278 WeakPolarHBondContact OD2-CA 3.24Å; C278-T291 WeakPolarHBondContact O-CA 3.34Å; C278-G292 PolarHBondContact O-N 3.02Å; C278-Q325 VanDerWaalsContact SG-CA 3.6Å; C278-I326 HydrophobicContact CB-CG1 4.37Å
279	L	98.3	Very high	96.5	Very high	4 Å²	4	34.1 Å²	34.1	2%	0.021	18%	0.176	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-142.1	153	172.1	82.5	169.7	0	0	0	111.9	D232 A234 G244 V246 L252 F281 A290 T291	D232-L279 HydrophobicContact CB-CD2 3.91Å; D232-L279 PolarHBondContact OD2-N 2.77Å; A234-L279 HydrophobicContact CB-CD1 4.25Å; A234-L279 HydrophobicContact CB-CD2 3.71Å; A234-L279 HydrophobicContact CB-CG 3.73Å; G244-L279 VanDerWaalsContact C-CD1 3.41Å; V246-L279 HydrophobicContact CG1-CB 3.96Å; V246-L279 HydrophobicContact CG1-CD1 4.17Å; V246-L279 HydrophobicContact CG1-CG 4.45Å; V246-L279 HydrophobicContact CG2-CB 4.36Å; V246-L279 HydrophobicContact CG2-CD2 4.03Å; L252-L279 HydrophobicContact CD1-CD1 3.95Å; L279-F281 HydrophobicContact CD1-CE2 4.25Å; L279-A290 WeakPolarHBondContact CA-O 3.46Å; L279-T291 HydrophobicContact CB-CG2 4.08Å
280	S	98.3	Very high	96.6	Very high	23 Å²	23	33.2 Å²	33.2	16%	0.161	17%	0.171	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-149	129	174.6	-162.2	0	0	0	0	112.1	L289 A290 W328	S280-L289 WeakPolarHBondContact O-CA 3.25Å; S280-L289 WeakPolarHBondContact O-CB 3.35Å; S280-A290 PolarHBondContact N-O 3.11Å; S280-A290 PolarHBondContact O-N 3.18Å; S280-W328 PolarHBondContact O-NE1 3.09Å
281	F	98.5	Very high	96.7	Very high	5 Å²	5	28.2 Å²	28.2	2%	0.022	15%	0.145	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-81.5	138.9	173.1	-70.3	-86.8	0	0	0	110.3	A234 W235 H236 V237 I254 L279 L289 L306 W328	A234-F281 HydrophobicContact CB-CD2 4.02Å; A234-F281 HydrophobicContact CB-CE2 4.15Å; A234-F281 VanDerWaalsContact O-CE2 3.28Å; A234-F281 WeakPolarHBondContact O-CE2 3.13Å; W235-F281 WeakPolarHBondContact O-CD2 3.47Å; H236-F281 HydrophobicContact CB-CD1 4.34Å; H236-F281 HydrophobicContact CB-CE1 4.48Å; H236-F281 HydrophobicContact CB-CG 4.37Å; H236-F281 AromaticContact CD2-CD1 3.42Å; H236-F281 VanDerWaalsContact CD2-CD1 3.42Å; H236-F281 WeakPolarHBondContact CD2-CD1 3.37Å; H236-F281 AromaticContact CD2-CE1 3.7Å; V237-F281 HydrophobicContact CG2-CB 4.41Å; I254-F281 HydrophobicContact CD1-CE1 4.43Å; I254-F281 HydrophobicContact CD1-CZ 4.06Å; L279-F281 HydrophobicContact CD1-CE2 4.25Å; F281-L289 HydrophobicContact CD1-CB 3.82Å; F281-L289 HydrophobicContact CD1-CD1 4.45Å; F281-L289 HydrophobicContact CE1-CB 4.14Å; F281-L289 HydrophobicContact CE1-CD1 3.96Å; F281-L289 HydrophobicContact CE1-CD2 4.41Å; F281-L289 HydrophobicContact CE1-CG 4.42Å; F281-L289 HydrophobicContact CG-CB 4.31Å; F281-L289 HydrophobicContact CZ-CD1 4.14Å; F281-L306 HydrophobicContact CD1-CD1 4.35Å; F281-L306 HydrophobicContact CE1-CD1 4.02Å; F281-L306 HydrophobicContact CE1-CD2 4.27Å; F281-W328 VanDerWaalsContact C-CD1 3.41Å
282	N	98.2	Very high	96.9	Very high	4 Å²	4	28.1 Å²	28.1	2%	0.021	14%	0.144	C	C	.	.			trans	-65.5	130.6	175.7	-173.6	-65.4	0	0	0	109.6	F284 S285 I288 W328 E333	N282-F284 VanDerWaalsContact C-N 3.3Å; N282-F284 PolarHBondContact O-N 2.85Å; N282-F284 WeakPolarHBondContact OD1-CA 3.49Å; N282-F284 WeakPolarHBondContact OD1-CB 3.37Å; N282-F284 PolarHBondContact OD1-N 2.9Å; N282-S285 PolarHBondContact OD1-N 2.87Å; N282-I288 HydrophobicContact CB-CB 3.88Å; N282-I288 HydrophobicContact CB-CG2 4.09Å; N282-I288 VanDerWaalsContact CB-O 3.31Å; N282-I288 WeakPolarHBondContact CB-O 3.38Å; N282-I288 PolarHBondContact N-O 2.98Å; N282-W328 HydrophobicContact CB-CD2 4.02Å; N282-W328 HydrophobicContact CB-CE3 4.44Å; N282-W328 HydrophobicContact CB-CG 4.43Å; N282-W328 HydrophobicContact CB-CH2 4.48Å; N282-W328 HydrophobicContact CB-CZ2 4.08Å; N282-W328 WeakPolarHBondContact ND2-CH2 3.36Å; N282-W328 WeakPolarHBondContact ND2-CZ3 3.4Å; N282-E333 PolarHBondContact ND2-O 3.35Å
283	P	97	Very high	96.9	Very high	36 Å²	36	27.9 Å²	27.9	23%	0.234	14%	0.143	C	C	.	.	S	Bend	trans	-76.4	-15.3	-177.3	26.3	-30.2	0	0	0	114	V237 W328	V237-P283 HydrophobicContact CB-CB 4.49Å; V237-P283 HydrophobicContact CG1-CB 4.08Å; V237-P283 HydrophobicContact CG2-CB 4.33Å; P283-W328 VanDerWaalsContact CD-CB 3.43Å; P283-W328 HydrophobicContact CG-CB 4.12Å
284	F	97.4	Very high	96.9	Very high	92 Å²	92	23 Å²	23	40%	0.404	12%	0.118	S	C	.	.	S	Bend	trans	-104.3	-31.2	-177.5	-58.3	-86.5	0	0	0	112.9	N282 P330 E333	N282-F284 VanDerWaalsContact C-N 3.3Å; N282-F284 PolarHBondContact O-N 2.85Å; N282-F284 WeakPolarHBondContact OD1-CA 3.49Å; N282-F284 WeakPolarHBondContact OD1-CB 3.37Å; N282-F284 PolarHBondContact OD1-N 2.9Å; F284-P330 WeakPolarHBondContact CZ-O 3.46Å; F284-E333 HydrophobicContact CB-CB 3.66Å; F284-E333 HydrophobicContact CD1-CB 4.44Å; F284-E333 HydrophobicContact CD2-CB 3.71Å; F284-E333 HydrophobicContact CE2-CB 4.44Å; F284-E333 HydrophobicContact CG-CB 3.69Å
285	S	97.2	Very high	96.2	Very high	36 Å²	36	23.4 Å²	23.4	25%	0.252	12%	0.118	S	C	.	.			trans	-109.3	129.9	-179.2	179.7	0	0	0	0	112	N282 Y287 I288	N282-S285 PolarHBondContact OD1-N 2.87Å; S285-Y287 PolarHBondContact O-N 2.86Å; S285-Y287 PolarHBondContact OG-N 3.17Å; S285-I288 WeakPolarHBondContact OG-CG1 3.43Å
286	E	96.5	Very high	95.3	Very high	70 Å²	70	26 Å²	26	33%	0.327	13%	0.129	S	C	.	.	S	Bend	trans	-75.2	-4.5	179.8	69.5	-174.5	170.7	0	0	114.5	H236 L238 H239	H236-E286 PolarHBondContact NE2-O 3Å; H236-E286 VanDerWaalsContact NE2-O 3.11Å; L238-E286 HydrophobicContact CD1-CB 4.01Å; H239-E286 IonicContact CE1-OE2 3.89Å; H239-E286 IonicContact NE2-OE2 2.94Å
287	Y	97.1	Very high	94.1	Very high	79 Å²	79	30.1 Å²	30.1	31%	0.31	16%	0.163	S	C	.	.	S	Bend	trans	-118	-16.4	-174	-57.9	-61	0	0	0	113.9	S285 D305 L306 R307	S285-Y287 PolarHBondContact O-N 2.86Å; S285-Y287 PolarHBondContact OG-N 3.17Å; Y287-D305 CarbonylContact O-C 3.57Å; Y287-D305 WeakPolarHBondContact O-CA 3.37Å; Y287-L306 PolarHBondContact O-N 3.01Å; Y287-R307 HydrophobicContact CD1-CG 3.28Å; Y287-R307 HydrophobicContact CE1-CG 3.55Å; Y287-R307 HydrophobicContact CG-CG 3.85Å
288	I	97.9	Very high	92.6	Very high	26 Å²	26	32.6 Å²	32.6	13%	0.133	18%	0.175	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-99.2	133.1	-169.5	-59.7	-62.4	0	0	0	110.3	N282 S285 L303 W304 L313 W328	N282-I288 HydrophobicContact CB-CB 3.88Å; N282-I288 HydrophobicContact CB-CG2 4.09Å; N282-I288 VanDerWaalsContact CB-O 3.31Å; N282-I288 WeakPolarHBondContact CB-O 3.38Å; N282-I288 PolarHBondContact N-O 2.98Å; S285-I288 WeakPolarHBondContact OG-CG1 3.43Å; I288-L303 HydrophobicContact CG2-CD1 3.58Å; I288-L303 HydrophobicContact CG2-CG 4.37Å; I288-W304 WeakPolarHBondContact CA-O 3.24Å; I288-L313 HydrophobicContact CD1-CD1 3.5Å; I288-L313 VanDerWaalsContact CD1-CD1 3.5Å; I288-W328 HydrophobicContact CG2-CH2 3.76Å; I288-W328 HydrophobicContact CG2-CZ2 3.67Å
289	L	98.1	Very high	91.4	Very high	0 Å²	0	37 Å²	37	0%	0	19%	0.192	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-141.8	159.8	166.6	71.7	155.6	0	0	0	110.9	L252 I254 S280 F281 W304 L306 L309	L252-L289 HydrophobicContact CD1-CD1 4.01Å; L252-L289 HydrophobicContact CD2-CD1 3.85Å; I254-L289 HydrophobicContact CD1-CD1 4.3Å; S280-L289 WeakPolarHBondContact O-CA 3.25Å; S280-L289 WeakPolarHBondContact O-CB 3.35Å; F281-L289 HydrophobicContact CD1-CB 3.82Å; F281-L289 HydrophobicContact CD1-CD1 4.45Å; F281-L289 HydrophobicContact CE1-CB 4.14Å; F281-L289 HydrophobicContact CE1-CD1 3.96Å; F281-L289 HydrophobicContact CE1-CD2 4.41Å; F281-L289 HydrophobicContact CE1-CG 4.42Å; F281-L289 HydrophobicContact CG-CB 4.31Å; F281-L289 HydrophobicContact CZ-CD1 4.14Å; L289-W304 HydrophobicContact CD2-CB 3.72Å; L289-W304 HydrophobicContact CG-CB 3.98Å; L289-W304 PolarHBondContact N-O 2.89Å; L289-W304 PolarHBondContact O-N 2.83Å; L289-L306 HydrophobicContact CD2-CD2 3.56Å; L289-L306 HydrophobicContact CD2-CG 3.65Å; L289-L309 HydrophobicContact CD2-CD2 4.43Å
290	A	98.2	Very high	90.8	Very high	0 Å²	0	37 Å²	37	0%	0	19%	0.191	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-119.7	159.2	174.5	0	0	0	0	0	110.5	L279 S280 V301 A302 I326 W328 L336	L279-A290 WeakPolarHBondContact CA-O 3.46Å; S280-A290 PolarHBondContact N-O 3.11Å; S280-A290 PolarHBondContact O-N 3.18Å; A290-V301 HydrophobicContact CB-CG1 4.19Å; A290-A302 CarbonylContact C-O 3.53Å; A290-A302 VanDerWaalsContact CA-O 3.24Å; A290-A302 WeakPolarHBondContact CA-O 3.47Å; A290-I326 HydrophobicContact CB-CD1 3.7Å; A290-I326 VanDerWaalsContact O-CD1 3.28Å; A290-I326 WeakPolarHBondContact O-CD1 3.15Å; A290-W328 HydrophobicContact CB-CZ2 4.11Å; A290-L336 HydrophobicContact CB-CD1 4.28Å; A290-L336 HydrophobicContact CB-CD2 3.75Å
291	T	97.8	Very high	90.7	Very high	0 Å²	0	35.9 Å²	35.9	0%	0	18%	0.184	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-140.9	139.5	175.9	53.1	0	0	0	0	109.9	V246 L252 H272 C278 L279 V301 A302 W304 I326	V246-T291 HydrophobicContact CG1-CG2 4.25Å; L252-T291 HydrophobicContact CD1-CG2 4.27Å; L252-T291 HydrophobicContact CD2-CG2 4.26Å; H272-T291 PolarHBondContact NE2-OG1 2.9Å; C278-T291 WeakPolarHBondContact O-CA 3.34Å; L279-T291 HydrophobicContact CB-CG2 4.08Å; T291-V301 CarbonylContact O-C 3.5Å; T291-V301 WeakPolarHBondContact O-CA 3.32Å; T291-A302 PolarHBondContact N-O 2.8Å; T291-A302 PolarHBondContact O-N 3.28Å; T291-A302 PolarHBondContact OG1-O 2.67Å; T291-W304 PolarHBondContact OG1-NE1 2.91Å; T291-I326 VanDerWaalsContact CA-CD1 3.5Å
292	G	96.7	Very high	90.6	Very high	0 Å²	0	35.6 Å²	35.6	0%	0	18%	0.183	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-110.7	140.9	177.4	0	0	0	0	0	111.5	V276 N277 C278	V276-G292 WeakPolarHBondContact CG1-O 3.5Å; N277-G292 PolarHBondContact N-O 3.26Å; C278-G292 PolarHBondContact O-N 3.02Å
293	S	95	Very high	90.5	Very high	0 Å²	0	35.9 Å²	35.9	0%	0	18%	0.184	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-120.4	155.1	-169.5	-178.6	0	0	0	0	113.3	H272 E275 D295 T300 V323	H272-S293 WeakPolarHBondContact CB-OG 3.01Å; H272-S293 WeakPolarHBondContact ND1-CB 3.13Å; E275-S293 WeakPolarHBondContact O-CA 3.19Å; E275-S293 PolarHBondContact O-OG 3.29Å; S293-D295 VanDerWaalsContact C-N 3.28Å; S293-D295 WeakPolarHBondContact OG-CB 2.92Å; S293-D295 PolarHBondContact OG-N 3.31Å; S293-T300 PolarHBondContact N-O 3.5Å; S293-V323 PolarHBondContact O-N 3.1Å
294	A	91.9	Very high	90.6	Very high	8 Å²	8	34.5 Å²	34.5	7%	0.066	17%	0.174	C	C	.	.			trans	-84.1	1.1	168.1	0	0	0	0	0	113.2	E275 K296 E322	E275-A294 HydrophobicContact CB-CB 4.04Å; E275-A294 PolarHBondContact O-N 2.85Å; A294-K296 PolarHBondContact O-N 2.94Å; A294-K296 VanDerWaalsContact O-N 3.07Å; A294-E322 HydrophobicContact CB-CB 4.43Å; A294-E322 HydrophobicContact CB-CG 4.01Å
295	D	79.9	Confident	90.6	Very high	19 Å²	19	30.9 Å²	30.9	10%	0.102	16%	0.159	C	C	.	.			trans	-61.9	114.6	-174	-175.7	5.2	0	0	0	111.8	A274 S293 A297 R299	A274-D295 VanDerWaalsContact CB-CA 3.4Å; A274-D295 HydrophobicContact CB-CB 3.59Å; S293-D295 VanDerWaalsContact C-N 3.28Å; S293-D295 WeakPolarHBondContact OG-CB 2.92Å; S293-D295 PolarHBondContact OG-N 3.31Å; D295-A297 VanDerWaalsContact C-N 3.31Å; D295-A297 PolarHBondContact O-N 2.85Å; D295-A297 WeakPolarHBondContact OD1-CB 2.81Å; D295-A297 PolarHBondContact OD1-N 2.9Å; D295-R299 WeakPolarHBondContact O-CA 3.22Å; D295-R299 WeakPolarHBondContact O-CG 3.33Å; D295-R299 PolarHBondContact O-N 3.19Å
296	K	75.3	Confident	90.6	Very high	122 Å²	122	30.5 Å²	30.5	53%	0.53	15%	0.154	S	C	.	.	T	Hydrogen-bonded Turn	trans	-76.9	-18.3	-179.9	-60.5	-174	-179.2	-174.8	0	113.2	A294 R299 E322	A294-K296 PolarHBondContact O-N 2.94Å; A294-K296 VanDerWaalsContact O-N 3.07Å; K296-R299 WeakPolarHBondContact O-CG 3.27Å; K296-R299 PolarHBondContact O-NE 2.96Å; K296-E322 WeakPolarHBondContact CE-OE1 3.19Å; K296-E322 IonicContact NZ-OE1 3.81Å; K296-E322 PolarHBondContact NZ-OE1 3.5Å
297	A	72.2	Confident	90.5	Very high	86 Å²	86	35 Å²	35	71%	0.711	17%	0.168	S	C	*	.	T	Hydrogen-bonded Turn	trans	-81	-42.2	-177.9	0	0	0	0	0	112	D295	D295-A297 VanDerWaalsContact C-N 3.31Å; D295-A297 PolarHBondContact O-N 2.85Å; D295-A297 WeakPolarHBondContact OD1-CB 2.81Å; D295-A297 PolarHBondContact OD1-N 2.9Å
298	I	65.8	Low	90.5	Very high	74 Å²	74	35.1 Å²	35.1	38%	0.379	17%	0.174	S	C	.	.	T	Hydrogen-bonded Turn	trans	-120.3	-12.4	-177.4	-44	-177.7	0	0	0	112.3	T300 E317	I298-T300 HydrophobicContact CB-CG2 3.65Å; I298-T300 HydrophobicContact CG2-CG2 3.24Å; I298-T300 WeakPolarHBondContact O-CG2 3.45Å; I298-T300 PolarHBondContact O-N 3.04Å; I298-E317 HydrophobicContact CG2-CG 4.2Å; I298-E317 VanDerWaalsContact CG2-OE1 3.31Å; I298-E317 WeakPolarHBondContact CG2-OE1 3.46Å
299	R	71.2	Confident	90.4	Very high	94 Å²	94	34.4 Å²	34.4	36%	0.355	17%	0.171	S	C	.	.			trans	45	55.6	166.6	-57	165.4	-178.8	-173.3	-13.6	113.9	D295 K296 H319 T320	D295-R299 WeakPolarHBondContact O-CA 3.22Å; D295-R299 WeakPolarHBondContact O-CG 3.33Å; D295-R299 PolarHBondContact O-N 3.19Å; K296-R299 WeakPolarHBondContact O-CG 3.27Å; K296-R299 PolarHBondContact O-NE 2.96Å; R299-H319 HydrophobicContact CB-CB 4.46Å; R299-H319 WeakPolarHBondContact CB-O 3.25Å; R299-H319 VanDerWaalsContact CD-O 3.32Å; R299-H319 WeakPolarHBondContact CD-O 3.24Å; R299-T320 VanDerWaalsContact CD-C 3.41Å; R299-T320 WeakPolarHBondContact CD-O 3.28Å; R299-T320 PolarHBondContact NE-O 2.82Å; R299-T320 PolarHBondContact NH1-O 2.87Å; R299-T320 PolarHBondContact NH2-O 3.48Å
300	T	86.8	Confident	90.1	Very high	2 Å²	2	43.2 Å²	43.2	1%	0.012	21%	0.209	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-108.7	148.4	-160.8	68.3	0	0	0	0	114.5	H272 S293 I298 T315 F316 E317	H272-T300 PolarHBondContact CE1-OG1 3.29Å; H272-T300 PolarHBondContact ND1-OG1 3.2Å; S293-T300 PolarHBondContact N-O 3.5Å; I298-T300 HydrophobicContact CB-CG2 3.65Å; I298-T300 HydrophobicContact CG2-CG2 3.24Å; I298-T300 WeakPolarHBondContact O-CG2 3.45Å; I298-T300 PolarHBondContact O-N 3.04Å; T300-T315 VanDerWaalsContact CB-CG2 3.43Å; T300-T315 HydrophobicContact CG2-CG2 3.18Å; T300-F316 WeakPolarHBondContact CA-O 3.37Å; T300-E317 HydrophobicContact CG2-CG 4.2Å
301	V	95.7	Very high	89.9	Confident	0 Å²	0	49.1 Å²	49.1	0%	0	24%	0.24	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-97.1	128	149.3	-178	0	0	0	0	107.2	A290 T291 F316 V323 I326 L336	A290-V301 HydrophobicContact CB-CG1 4.19Å; T291-V301 CarbonylContact O-C 3.5Å; T291-V301 WeakPolarHBondContact O-CA 3.32Å; V301-F316 HydrophobicContact CB-CB 4.12Å; V301-F316 HydrophobicContact CB-CD2 3.95Å; V301-F316 HydrophobicContact CB-CG 4.44Å; V301-F316 HydrophobicContact CG1-CD2 3.98Å; V301-F316 PolarHBondContact N-O 3.45Å; V301-F316 WeakPolarHBondContact O-CD2 3.2Å; V301-F316 PolarHBondContact O-N 3.29Å; V301-V323 HydrophobicContact CG2-CG1 4.23Å; V301-V323 HydrophobicContact CG2-CG2 4.23Å; V301-I326 HydrophobicContact CG1-CG2 4.19Å; V301-I326 HydrophobicContact CG2-CG2 4.11Å; V301-L336 HydrophobicContact CG1-CD2 3.86Å
302	A	96.2	Very high	89.7	Confident	0 Å²	0	52.6 Å²	52.6	0%	0	26%	0.255	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-106.6	136.6	177.6	0	0	0	0	0	111.2	H272 A290 T291 W304 K312	H272-A302 WeakPolarHBondContact CE1-CB 3.25Å; A290-A302 CarbonylContact C-O 3.53Å; A290-A302 VanDerWaalsContact CA-O 3.24Å; A290-A302 WeakPolarHBondContact CA-O 3.47Å; T291-A302 PolarHBondContact N-O 2.8Å; T291-A302 PolarHBondContact O-N 3.28Å; T291-A302 PolarHBondContact OG1-O 2.67Å; A302-W304 HydrophobicContact CB-CZ2 4.18Å; A302-K312 HydrophobicContact CB-CD 3.74Å; A302-K312 HydrophobicContact CB-CG 4.17Å
303	L	97.5	Very high	89.6	Confident	10 Å²	10	56.8 Å²	56.8	5%	0.052	28%	0.277	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-98.9	138.4	175.7	-167.7	68.8	0	0	0	110.6	I288 L313 H314 F316 W328 L350	I288-L303 HydrophobicContact CG2-CD1 3.58Å; I288-L303 HydrophobicContact CG2-CG 4.37Å; L303-L313 HydrophobicContact CB-CB 4.25Å; L303-L313 HydrophobicContact CD2-CB 4.12Å; L303-L313 HydrophobicContact CD2-CD1 4.22Å; L303-L313 HydrophobicContact CG-CB 4.17Å; L303-L313 HydrophobicContact CG-CD1 4.23Å; L303-L313 PolarHBondContact O-N 2.81Å; L303-H314 HydrophobicContact CB-CB 4.15Å; L303-H314 HydrophobicContact CD2-CB 4.27Å; L303-H314 PolarHBondContact N-O 3.41Å; L303-F316 HydrophobicContact CB-CE2 4.02Å; L303-W328 HydrophobicContact CD1-CH2 3.84Å; L303-W328 HydrophobicContact CD1-CZ2 3.89Å; L303-L350 HydrophobicContact CD1-CD2 3.95Å; L303-L350 HydrophobicContact CD2-CD2 3.69Å; L303-L350 HydrophobicContact CD2-CG 4.3Å; L303-L350 HydrophobicContact CG-CD2 4.5Å
304	W	98	Very high	89.6	Confident	6 Å²	6	59.1 Å²	59.1	2%	0.023	29%	0.288	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-133.1	150	-174.6	-58.1	93.3	0	0	0	112.7	L252 V269 A271 I288 L289 T291 A302 L309 K312	L252-W304 HydrophobicContact CD2-CD2 4.5Å; L252-W304 HydrophobicContact CD2-CG 4.36Å; V269-W304 HydrophobicContact CG1-CH2 3.92Å; V269-W304 HydrophobicContact CG1-CZ3 3.8Å; A271-W304 HydrophobicContact CB-CH2 4.42Å; A271-W304 HydrophobicContact CB-CZ2 3.75Å; A271-W304 WeakPolarHBondContact O-CZ2 3.46Å; I288-W304 WeakPolarHBondContact CA-O 3.24Å; L289-W304 HydrophobicContact CD2-CB 3.72Å; L289-W304 HydrophobicContact CG-CB 3.98Å; L289-W304 PolarHBondContact N-O 2.89Å; L289-W304 PolarHBondContact O-N 2.83Å; T291-W304 PolarHBondContact OG1-NE1 2.91Å; A302-W304 HydrophobicContact CB-CZ2 4.18Å; W304-L309 HydrophobicContact CB-CD2 4.02Å; W304-L309 HydrophobicContact CE3-CD2 4.4Å; W304-K312 HydrophobicContact CD2-CG 4.43Å; W304-K312 HydrophobicContact CE3-CG 4.25Å; W304-K312 HydrophobicContact CH2-CD 4.3Å; W304-K312 HydrophobicContact CH2-CG 3.39Å; W304-K312 HydrophobicContact CZ2-CD 4.21Å; W304-K312 HydrophobicContact CZ2-CG 3.57Å; W304-K312 HydrophobicContact CZ3-CG 3.76Å
305	D	97.3	Very high	89.8	Confident	17 Å²	17	60.4 Å²	60.4	9%	0.091	29%	0.294	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-108.4	118.8	168.2	-167	-32.4	0	0	0	109.7	Y287 R307 N308 L309 L313	Y287-D305 CarbonylContact O-C 3.57Å; Y287-D305 WeakPolarHBondContact O-CA 3.37Å; D305-R307 PolarHBondContact O-N 2.73Å; D305-R307 VanDerWaalsContact O-N 3.13Å; D305-R307 WeakPolarHBondContact OD1-CB 3.31Å; D305-R307 VanDerWaalsContact OD1-CG 3.28Å; D305-R307 WeakPolarHBondContact OD1-CG 3.27Å; D305-R307 IonicContact OD1-CZ 2.73Å; D305-R307 PolarHBondContact OD1-N 3.34Å; D305-R307 IonicContact OD1-NE 3.03Å; D305-R307 PolarHBondContact OD1-NE 2.95Å; D305-R307 IonicContact OD1-NH2 3.34Å; D305-R307 IonicContact OD2-CZ 3.69Å; D305-R307 VanDerWaalsContact OD2-CZ 3.28Å; D305-R307 IonicContact OD2-NE 3.57Å; D305-R307 PolarHBondContact OD2-NE 2.78Å; D305-R307 IonicContact OD2-NH2 3.9Å; D305-R307 PolarHBondContact OD2-NH2 3.5Å; D305-N308 CarbonylContact O-C 3.58Å; D305-N308 PolarHBondContact O-N 2.81Å; D305-L309 WeakPolarHBondContact O-CD2 3.31Å; D305-L309 PolarHBondContact O-N 2.9Å; D305-L313 HydrophobicContact CB-CD1 3.8Å; D305-L313 HydrophobicContact CB-CD2 3.99Å; D305-L313 HydrophobicContact CB-CG 3.89Å
306	L	96.7	Very high	90.5	Very high	28 Å²	28	59.5 Å²	59.5	15%	0.147	29%	0.29	C	S	.	.	T	Hydrogen-bonded Turn	trans	-58	-25.6	176.4	-72.7	175	0	0	0	113.2	I254 F281 Y287 L289 N308 L309	I254-L306 HydrophobicContact CD1-CD2 3.84Å; I254-L306 HydrophobicContact CG1-CD2 3.96Å; I254-L306 HydrophobicContact CG2-CD2 4.47Å; F281-L306 HydrophobicContact CD1-CD1 4.35Å; F281-L306 HydrophobicContact CE1-CD1 4.02Å; F281-L306 HydrophobicContact CE1-CD2 4.27Å; Y287-L306 PolarHBondContact O-N 3.01Å; L289-L306 HydrophobicContact CD2-CD2 3.56Å; L289-L306 HydrophobicContact CD2-CG 3.65Å; L306-N308 VanDerWaalsContact C-N 3.29Å; L306-N308 PolarHBondContact O-N 3Å; L306-L309 HydrophobicContact CD2-CD1 4.35Å; L306-L309 HydrophobicContact CD2-CD2 4.37Å
307	R	95.9	Very high	91.2	Very high	165 Å²	165	59.3 Å²	59.3	62%	0.623	29%	0.291	S	S	*	.	T	Hydrogen-bonded Turn	trans	-71.8	-26.4	176.8	-56.1	171.5	-66.9	-171.3	3.5	111.8	Y287 D305	Y287-R307 HydrophobicContact CD1-CG 3.28Å; Y287-R307 HydrophobicContact CE1-CG 3.55Å; Y287-R307 HydrophobicContact CG-CG 3.85Å; D305-R307 PolarHBondContact O-N 2.73Å; D305-R307 VanDerWaalsContact O-N 3.13Å; D305-R307 WeakPolarHBondContact OD1-CB 3.31Å; D305-R307 VanDerWaalsContact OD1-CG 3.28Å; D305-R307 WeakPolarHBondContact OD1-CG 3.27Å; D305-R307 IonicContact OD1-CZ 2.73Å; D305-R307 PolarHBondContact OD1-N 3.34Å; D305-R307 IonicContact OD1-NE 3.03Å; D305-R307 PolarHBondContact OD1-NE 2.95Å; D305-R307 IonicContact OD1-NH2 3.34Å; D305-R307 IonicContact OD2-CZ 3.69Å; D305-R307 VanDerWaalsContact OD2-CZ 3.28Å; D305-R307 IonicContact OD2-NE 3.57Å; D305-R307 PolarHBondContact OD2-NE 2.78Å; D305-R307 IonicContact OD2-NH2 3.9Å; D305-R307 PolarHBondContact OD2-NH2 3.5Å
308	N	95.4	Very high	92.1	Very high	80 Å²	80	57 Å²	57	43%	0.428	27%	0.269	S	S	.	.			trans	-148.7	83.5	178.8	-176.2	23	0	0	0	112.2	D305 L306 K310	D305-N308 CarbonylContact O-C 3.58Å; D305-N308 PolarHBondContact O-N 2.81Å; L306-N308 VanDerWaalsContact C-N 3.29Å; L306-N308 PolarHBondContact O-N 3Å; N308-K310 PolarHBondContact O-N 3.25Å; N308-K310 VanDerWaalsContact O-N 3.17Å; N308-K310 WeakPolarHBondContact OD1-CB 3.28Å; N308-K310 WeakPolarHBondContact OD1-CG 3.44Å; N308-K310 PolarHBondContact OD1-N 2.82Å
309	L	95.8	Very high	93.4	Very high	12 Å²	12	53.9 Å²	53.9	6%	0.063	25%	0.253	C	S	.	.	T	Hydrogen-bonded Turn	trans	-79.4	12.2	177.8	-62.8	169.1	0	0	0	114.5	L252 I254 H267 V269 L289 W304 D305 L306 L311	L252-L309 HydrophobicContact CD2-CD2 4.44Å; I254-L309 HydrophobicContact CG1-CD1 3.88Å; H267-L309 HydrophobicContact CB-CD1 3.75Å; V269-L309 VanDerWaalsContact CG1-O 3.28Å; V269-L309 WeakPolarHBondContact CG1-O 3.48Å; V269-L309 HydrophobicContact CG2-CB 3.53Å; V269-L309 HydrophobicContact CG2-CD1 3.98Å; V269-L309 HydrophobicContact CG2-CG 4.29Å; L289-L309 HydrophobicContact CD2-CD2 4.43Å; W304-L309 HydrophobicContact CB-CD2 4.02Å; W304-L309 HydrophobicContact CE3-CD2 4.4Å; D305-L309 WeakPolarHBondContact O-CD2 3.31Å; D305-L309 PolarHBondContact O-N 2.9Å; L306-L309 HydrophobicContact CD2-CD1 4.35Å; L306-L309 HydrophobicContact CD2-CD2 4.37Å; L309-L311 VanDerWaalsContact C-N 3.33Å
310	K	92.9	Very high	94.3	Very high	184 Å²	184	53.3 Å²	53.3	80%	0.8	26%	0.26	S	S	*	.	T	Hydrogen-bonded Turn	trans	-75.9	-24.8	179.8	-64.4	-178.4	-179	177.4	0	113	N308	N308-K310 PolarHBondContact O-N 3.25Å; N308-K310 VanDerWaalsContact O-N 3.17Å; N308-K310 WeakPolarHBondContact OD1-CB 3.28Å; N308-K310 WeakPolarHBondContact OD1-CG 3.44Å; N308-K310 PolarHBondContact OD1-N 2.82Å
311	L	93.3	Very high	94.5	Very high	125 Å²	125	55.7 Å²	55.7	65%	0.654	27%	0.273	S	S	*	.	S	Bend	trans	-137.1	146.1	-177.7	-64	172.9	0	0	0	108.4	L309	L309-L311 VanDerWaalsContact C-N 3.33Å
312	K	94.6	Very high	94.5	Very high	72 Å²	72	58 Å²	58	31%	0.313	28%	0.284	S	S	.	.			trans	-62.8	140	165.7	-65.5	177.6	176	-174.1	0	108.5	A271 H272 A302 W304	A271-K312 WeakPolarHBondContact O-CE 3.41Å; A271-K312 PolarHBondContact O-NZ 2.87Å; A271-K312 VanDerWaalsContact O-NZ 3.11Å; H272-K312 PolarHBondContact ND1-NZ 3.04Å; A302-K312 HydrophobicContact CB-CD 3.74Å; A302-K312 HydrophobicContact CB-CG 4.17Å; W304-K312 HydrophobicContact CD2-CG 4.43Å; W304-K312 HydrophobicContact CE3-CG 4.25Å; W304-K312 HydrophobicContact CH2-CD 4.3Å; W304-K312 HydrophobicContact CH2-CG 3.39Å; W304-K312 HydrophobicContact CZ2-CD 4.21Å; W304-K312 HydrophobicContact CZ2-CG 3.57Å; W304-K312 HydrophobicContact CZ3-CG 3.76Å
313	L	95.1	Very high	94.5	Very high	89 Å²	89	58 Å²	58	47%	0.466	28%	0.284	S	S	.	.	S	Bend	trans	-70.6	-44.9	169.3	-76.9	-178.4	0	0	0	110.7	I288 L303 D305	I288-L313 HydrophobicContact CD1-CD1 3.5Å; I288-L313 VanDerWaalsContact CD1-CD1 3.5Å; L303-L313 HydrophobicContact CB-CB 4.25Å; L303-L313 HydrophobicContact CD2-CB 4.12Å; L303-L313 HydrophobicContact CD2-CD1 4.22Å; L303-L313 HydrophobicContact CG-CB 4.17Å; L303-L313 HydrophobicContact CG-CD1 4.23Å; L303-L313 PolarHBondContact O-N 2.81Å; D305-L313 HydrophobicContact CB-CD1 3.8Å; D305-L313 HydrophobicContact CB-CD2 3.99Å; D305-L313 HydrophobicContact CB-CG 3.89Å
314	H	95.1	Very high	94.5	Very high	49 Å²	49	60.1 Å²	60.1	23%	0.227	29%	0.293	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-156.1	162.6	-179.7	-167.1	50.3	0	0	0	110	L303 F316 I353 E368	L303-H314 HydrophobicContact CB-CB 4.15Å; L303-H314 HydrophobicContact CD2-CB 4.27Å; L303-H314 PolarHBondContact N-O 3.41Å; H314-F316 AromaticContact CD2-CD1 4Å; H314-F316 AromaticContact CD2-CE1 3.86Å; H314-I353 HydrophobicContact CB-CD1 4.27Å; H314-E368 IonicContact CD2-OE1 3.83Å; H314-E368 IonicContact CE1-OE1 3.67Å; H314-E368 IonicContact NE2-OE1 2.79Å; H314-E368 PolarHBondContact NE2-OE1 3.32Å
315	T	94.4	Very high	94.4	Very high	34 Å²	34	60.3 Å²	60.3	21%	0.209	29%	0.294	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-131.3	120.1	175.8	-57.8	0	0	0	0	107.6	T300 E317	T300-T315 VanDerWaalsContact CB-CG2 3.43Å; T300-T315 HydrophobicContact CG2-CG2 3.18Å; T315-E317 HydrophobicContact CG2-CG 3.78Å
316	F	94.6	Very high	94.4	Very high	1 Å²	1	59.5 Å²	59.5	0%	0.004	29%	0.29	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-86.8	113	175.3	-55.1	-88.5	0	0	0	108.9	T300 V301 L303 H314 L336 W348 L350 I353 E368	T300-F316 WeakPolarHBondContact CA-O 3.37Å; V301-F316 HydrophobicContact CB-CB 4.12Å; V301-F316 HydrophobicContact CB-CD2 3.95Å; V301-F316 HydrophobicContact CB-CG 4.44Å; V301-F316 HydrophobicContact CG1-CD2 3.98Å; V301-F316 PolarHBondContact N-O 3.45Å; V301-F316 WeakPolarHBondContact O-CD2 3.2Å; V301-F316 PolarHBondContact O-N 3.29Å; L303-F316 HydrophobicContact CB-CE2 4.02Å; H314-F316 AromaticContact CD2-CD1 4Å; H314-F316 AromaticContact CD2-CE1 3.86Å; F316-L336 HydrophobicContact CE2-CD2 4.2Å; F316-W348 HydrophobicContact CB-CD2 4.17Å; F316-W348 HydrophobicContact CB-CE3 4.07Å; F316-W348 HydrophobicContact CB-CH2 4.06Å; F316-W348 HydrophobicContact CB-CZ2 4.16Å; F316-W348 HydrophobicContact CB-CZ3 4.01Å; F316-W348 HydrophobicContact CD1-CB 4.16Å; F316-W348 AromaticContact CD1-CD2 3.91Å; F316-W348 HydrophobicContact CD1-CD2 3.91Å; F316-W348 AromaticContact CD1-CE3 3.76Å; F316-W348 HydrophobicContact CD1-CE3 3.76Å; F316-W348 HydrophobicContact CD1-CG 4.11Å; F316-W348 HydrophobicContact CD1-CZ3 4.43Å; F316-W348 HydrophobicContact CE1-CB 4.06Å; F316-W348 HydrophobicContact CE1-CG 4.46Å; F316-W348 HydrophobicContact CG-CD2 4.22Å; F316-W348 HydrophobicContact CG-CE3 4.28Å; F316-L350 HydrophobicContact CE1-CD1 4.22Å; F316-L350 HydrophobicContact CZ-CD1 3.64Å; F316-L350 HydrophobicContact CZ-CG 3.99Å; F316-I353 HydrophobicContact CE1-CD1 4.06Å; F316-I353 HydrophobicContact CE1-CG1 4.43Å; F316-I353 HydrophobicContact CZ-CD1 4.08Å; F316-E368 HydrophobicContact CD1-CG 3.59Å; F316-E368 HydrophobicContact CE1-CB 4.3Å; F316-E368 HydrophobicContact CE1-CG 3.79Å
317	E	90.8	Very high	94.5	Very high	118 Å²	118	59.9 Å²	59.9	55%	0.551	29%	0.29	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-113.9	85.9	-174.4	-62.3	-174	-178.5	0	0	110.2	I298 T300 T315	I298-E317 HydrophobicContact CG2-CG 4.2Å; I298-E317 VanDerWaalsContact CG2-OE1 3.31Å; I298-E317 WeakPolarHBondContact CG2-OE1 3.46Å; T300-E317 HydrophobicContact CG2-CG 4.2Å; T315-E317 HydrophobicContact CG2-CG 3.78Å
318	S	91	Very high	94.6	Very high	37 Å²	37	52.7 Å²	52.7	26%	0.259	26%	0.263	S	S	.	.			trans	-150.9	-16.6	169.7	135.2	0	0	0	0	114.6	T320 L346 L369	S318-T320 PolarHBondContact O-N 2.89Å; S318-L346 WeakPolarHBondContact OG-CD1 3.43Å; S318-L369 WeakPolarHBondContact OG-CD2 3.48Å
319	H	92.3	Very high	94.8	Very high	8 Å²	8	49 Å²	49	4%	0.037	24%	0.244	C	C	.	.			trans	-58.7	140.7	169.5	-88.5	-63.8	0	0	0	111	R299 V323 S338 D342 L346	R299-H319 HydrophobicContact CB-CB 4.46Å; R299-H319 WeakPolarHBondContact CB-O 3.25Å; R299-H319 VanDerWaalsContact CD-O 3.32Å; R299-H319 WeakPolarHBondContact CD-O 3.24Å; H319-V323 HydrophobicContact CB-CG2 4.15Å; H319-S338 PolarHBondContact CD2-OG 2.88Å; H319-S338 VanDerWaalsContact NE2-CB 3.34Å; H319-S338 WeakPolarHBondContact NE2-CB 3.36Å; H319-S338 PolarHBondContact NE2-OG 2.77Å; H319-D342 WeakPolarHBondContact CA-OD2 3.38Å; H319-D342 IonicContact CE1-OD1 2.81Å; H319-D342 IonicContact CE1-OD2 2.89Å; H319-D342 IonicContact CG-OD2 2.68Å; H319-D342 IonicContact ND1-OD1 3.59Å; H319-D342 PolarHBondContact ND1-OD1 2.99Å; H319-D342 IonicContact ND1-OD2 3.28Å; H319-D342 PolarHBondContact ND1-OD2 2.93Å; H319-L346 HydrophobicContact CB-CD1 4.4Å
320	T	90.9	Very high	94.8	Very high	83 Å²	83	51 Å²	51	51%	0.509	26%	0.258	S	S	.	.	S	Bend	trans	-103.5	3.2	-178.8	64.1	0	0	0	0	113.4	R299 S318 D342	R299-T320 VanDerWaalsContact CD-C 3.41Å; R299-T320 WeakPolarHBondContact CD-O 3.28Å; R299-T320 PolarHBondContact NE-O 2.82Å; R299-T320 PolarHBondContact NH1-O 2.87Å; R299-T320 PolarHBondContact NH2-O 3.48Å; S318-T320 PolarHBondContact O-N 2.89Å; T320-D342 PolarHBondContact N-OD2 3Å; T320-D342 WeakPolarHBondContact OG1-CB 3.49Å
321	D	92.1	Very high	94.9	Very high	52 Å²	52	45.4 Å²	45.4	28%	0.278	23%	0.234	S	C	.	.	S	Bend	trans	-159.3	-173.1	172.2	-154.8	-7.2	0	0	0	110	T341 D342	D321-T341 WeakPolarHBondContact CB-OG1 3.47Å; D321-T341 PolarHBondContact OD1-OG1 2.92Å; D321-T341 PolarHBondContact OD2-OG1 2.88Å; D321-D342 HydrophobicContact CB-CB 4.12Å
322	E	94.4	Very high	95	Very high	49 Å²	49	42.1 Å²	42.1	23%	0.229	22%	0.217	C	C	.	.			trans	-50.6	133.2	-177.7	-57.7	169.2	-169.9	0	0	113	A294 K296 G340 T341	A294-E322 HydrophobicContact CB-CB 4.43Å; A294-E322 HydrophobicContact CB-CG 4.01Å; K296-E322 WeakPolarHBondContact CE-OE1 3.19Å; K296-E322 IonicContact NZ-OE1 3.81Å; K296-E322 PolarHBondContact NZ-OE1 3.5Å; E322-G340 CarbonylContact O-C 3.53Å; E322-G340 WeakPolarHBondContact O-CA 3.32Å; E322-T341 WeakPolarHBondContact CA-OG1 3.3Å; E322-T341 HydrophobicContact CB-CG2 4.05Å; E322-T341 WeakPolarHBondContact CB-OG1 3.45Å; E322-T341 PolarHBondContact N-OG1 3.17Å; E322-T341 PolarHBondContact O-N 3.47Å; E322-T341 PolarHBondContact O-OG1 3.07Å; E322-T341 VanDerWaalsContact O-OG1 3.08Å
323	V	96.7	Very high	95.1	Very high	0 Å²	0	44.4 Å²	44.4	0%	0	23%	0.229	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-86.2	123.4	174.7	-176.8	0	0	0	0	109.4	N277 S293 V301 H319 I326	N277-V323 VanDerWaalsContact CB-O 3.31Å; N277-V323 WeakPolarHBondContact CB-O 3.5Å; N277-V323 PolarHBondContact ND2-O 3.42Å; S293-V323 PolarHBondContact O-N 3.1Å; V301-V323 HydrophobicContact CG2-CG1 4.23Å; V301-V323 HydrophobicContact CG2-CG2 4.23Å; H319-V323 HydrophobicContact CB-CG2 4.15Å; V323-I326 HydrophobicContact CG1-CG2 3.9Å
324	F	96.4	Very high	95.2	Very high	53 Å²	53	41.6 Å²	41.6	23%	0.232	22%	0.215	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-92.9	-39.5	-179.8	-78.3	-34.7	0	0	0	113.9	S339 T341 K379 P381	F324-S339 PolarHBondContact N-O 2.76Å; F324-T341 HydrophobicContact CD1-CG2 4.43Å; F324-T341 HydrophobicContact CD2-CG2 4.02Å; F324-T341 HydrophobicContact CE1-CG2 3.74Å; F324-T341 HydrophobicContact CE2-CG2 3.3Å; F324-T341 HydrophobicContact CZ-CG2 3.14Å; F324-K379 HydrophobicContact CE2-CB 4.06Å; F324-K379 HydrophobicContact CE2-CD 4.29Å; F324-P381 HydrophobicContact CD2-CB 4.5Å
325	Q	97.2	Very high	95.3	Very high	10 Å²	10	39.3 Å²	39.3	5%	0.047	21%	0.205	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-143	147.6	-174.6	-175.1	61.7	-76.2	0	0	111	C278 Q327 S338 S339 D382 F383	C278-Q325 VanDerWaalsContact SG-CA 3.6Å; Q325-Q327 HydrophobicContact CG-CG 4.28Å; Q325-S338 CarbonylContact O-C 3.49Å; Q325-S338 WeakPolarHBondContact O-CA 3.34Å; Q325-S339 PolarHBondContact N-O 2.87Å; Q325-S339 PolarHBondContact O-N 3.11Å; Q325-D382 PolarHBondContact NE2-OD1 3.38Å; Q325-D382 VanDerWaalsContact NE2-OD1 3.07Å; Q325-F383 HydrophobicContact CB-CD1 4.19Å; Q325-F383 HydrophobicContact CB-CE1 3.97Å; Q325-F383 HydrophobicContact CG-CD1 4.11Å; Q325-F383 HydrophobicContact CG-CE1 3.82Å
326	I	97.9	Very high	95.5	Very high	1 Å²	1	37.7 Å²	37.7	1%	0.005	20%	0.195	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-134.6	140.7	168.7	65.3	-179.8	0	0	0	110.4	C278 A290 T291 V301 V323 L336 A337	C278-I326 HydrophobicContact CB-CG1 4.37Å; A290-I326 HydrophobicContact CB-CD1 3.7Å; A290-I326 VanDerWaalsContact O-CD1 3.28Å; A290-I326 WeakPolarHBondContact O-CD1 3.15Å; T291-I326 VanDerWaalsContact CA-CD1 3.5Å; V301-I326 HydrophobicContact CG1-CG2 4.19Å; V301-I326 HydrophobicContact CG2-CG2 4.11Å; V323-I326 HydrophobicContact CG1-CG2 3.9Å; I326-L336 HydrophobicContact CB-CD1 4.47Å; I326-A337 CarbonylContact C-O 3.59Å; I326-A337 VanDerWaalsContact CA-O 3.25Å; I326-A337 WeakPolarHBondContact CA-O 3.38Å
327	Q	98.3	Very high	95.6	Very high	35 Å²	35	37.6 Å²	37.6	16%	0.164	20%	0.195	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-147.2	129.7	176.2	-66.1	-178	20.7	0	0	110.7	Q325 A337 F383 W385	Q325-Q327 HydrophobicContact CG-CG 4.28Å; Q327-A337 PolarHBondContact N-O 3.46Å; Q327-A337 PolarHBondContact O-N 3.23Å; Q327-F383 HydrophobicContact CB-CE2 3.9Å; Q327-F383 HydrophobicContact CB-CZ 3.86Å; Q327-F383 HydrophobicContact CG-CE2 4.33Å; Q327-F383 HydrophobicContact CG-CZ 4.15Å; Q327-F383 PolarHBondContact NE2-O 3.01Å; Q327-W385 PolarHBondContact O-NE1 2.87Å; Q327-W385 VanDerWaalsContact O-NE1 3.11Å
328	W	98.5	Very high	96	Very high	14 Å²	14	32 Å²	32	5%	0.053	17%	0.169	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-65.9	145.5	168.3	-68.1	95.1	0	0	0	110.9	S280 F281 N282 P283 I288 A290 L303 L336 L350	S280-W328 PolarHBondContact O-NE1 3.09Å; F281-W328 VanDerWaalsContact C-CD1 3.41Å; N282-W328 HydrophobicContact CB-CD2 4.02Å; N282-W328 HydrophobicContact CB-CE3 4.44Å; N282-W328 HydrophobicContact CB-CG 4.43Å; N282-W328 HydrophobicContact CB-CH2 4.48Å; N282-W328 HydrophobicContact CB-CZ2 4.08Å; N282-W328 WeakPolarHBondContact ND2-CH2 3.36Å; N282-W328 WeakPolarHBondContact ND2-CZ3 3.4Å; P283-W328 VanDerWaalsContact CD-CB 3.43Å; P283-W328 HydrophobicContact CG-CB 4.12Å; I288-W328 HydrophobicContact CG2-CH2 3.76Å; I288-W328 HydrophobicContact CG2-CZ2 3.67Å; A290-W328 HydrophobicContact CB-CZ2 4.11Å; L303-W328 HydrophobicContact CD1-CH2 3.84Å; L303-W328 HydrophobicContact CD1-CZ2 3.89Å; W328-L336 HydrophobicContact CD2-CD1 3.86Å; W328-L336 HydrophobicContact CE3-CB 4.12Å; W328-L336 HydrophobicContact CE3-CD1 4.31Å; W328-L336 HydrophobicContact CG-CD1 4.07Å; W328-L336 HydrophobicContact CZ2-CD1 4.39Å; W328-L336 HydrophobicContact CZ3-CB 4.12Å; W328-L350 HydrophobicContact CH2-CD1 3.92Å; W328-L350 HydrophobicContact CH2-CD2 3.56Å; W328-L350 HydrophobicContact CH2-CG 4.42Å; W328-L350 HydrophobicContact CZ3-CD1 3.85Å; W328-L350 HydrophobicContact CZ3-CD2 3.92Å
329	S	97.8	Very high	96.3	Very high	3 Å²	3	30.2 Å²	30.2	2%	0.021	16%	0.156	C	C	.	.			trans	-61.1	134.4	168.5	177.3	0	0	0	0	109.6	H331 N332 I335	S329-H331 PolarHBondContact O-N 2.84Å; S329-H331 PolarHBondContact OG-N 2.84Å; S329-N332 PolarHBondContact OG-N 2.9Å; S329-I335 PolarHBondContact N-O 2.97Å
330	P	96.4	Very high	96.4	Very high	55 Å²	55	29.9 Å²	29.9	36%	0.357	15%	0.154	S	C	.	.	S	Bend	trans	-75.9	-6	173.5	31.5	-34.4	0	0	0	112.6	F284 W385	F284-P330 WeakPolarHBondContact CZ-O 3.46Å; P330-W385 VanDerWaalsContact CD-CB 3.42Å; P330-W385 HydrophobicContact CG-CB 3.91Å
331	H	95.3	Very high	96.6	Very high	66 Å²	66	26.3 Å²	26.3	31%	0.306	13%	0.133	S	C	.	.	S	Bend	trans	-112.5	-27.2	-173	-57.5	-69.3	0	0	0	113.8	S329 N386 S387 A389 L390	S329-H331 PolarHBondContact O-N 2.84Å; S329-H331 PolarHBondContact OG-N 2.84Å; H331-N386 PolarHBondContact NE2-O 3.18Å; H331-S387 PolarHBondContact CE1-O 2.96Å; H331-S387 VanDerWaalsContact CE1-O 3.23Å; H331-A389 PolarHBondContact NE2-O 3.18Å; H331-L390 HydrophobicContact CB-CD2 3.66Å; H331-L390 VanDerWaalsContact CG-CD2 3.48Å
332	N	95.7	Very high	96.6	Very high	55 Å²	55	24.6 Å²	24.6	29%	0.294	12%	0.123	S	C	.	.			trans	-130.8	131.8	-176.4	-173	-22.2	0	0	0	110.4	S329 T334 I335	S329-N332 PolarHBondContact OG-N 2.9Å; N332-T334 VanDerWaalsContact C-N 3.34Å; N332-T334 PolarHBondContact O-N 3.41Å; N332-T334 PolarHBondContact OD1-N 3.21Å; N332-T334 PolarHBondContact OD1-OG1 2.85Å; N332-I335 HydrophobicContact CB-CB 4.11Å; N332-I335 HydrophobicContact CB-CG1 3.68Å; N332-I335 VanDerWaalsContact CG-CG1 3.47Å; N332-I335 WeakPolarHBondContact ND2-CG1 3.34Å
333	E	96	Very high	96.7	Very high	121 Å²	121	23.3 Å²	23.3	57%	0.565	12%	0.118	S	C	*	.	T	Hydrogen-bonded Turn	trans	-69.4	-26.1	-176.9	69.7	-179	170.6	0	0	114.7	N282 F284	N282-E333 PolarHBondContact ND2-O 3.35Å; F284-E333 HydrophobicContact CB-CB 3.66Å; F284-E333 HydrophobicContact CD1-CB 4.44Å; F284-E333 HydrophobicContact CD2-CB 3.71Å; F284-E333 HydrophobicContact CE2-CB 4.44Å; F284-E333 HydrophobicContact CG-CB 3.69Å
334	T	96.5	Very high	96.6	Very high	29 Å²	29	25.7 Å²	25.7	18%	0.178	13%	0.127	C	C	.	.	T	Hydrogen-bonded Turn	trans	-96.5	-7.7	-176.8	68.2	0	0	0	0	112.9	N332 D349 L350	N332-T334 VanDerWaalsContact C-N 3.34Å; N332-T334 PolarHBondContact O-N 3.41Å; N332-T334 PolarHBondContact OD1-N 3.21Å; N332-T334 PolarHBondContact OD1-OG1 2.85Å; T334-D349 VanDerWaalsContact CB-OD1 3.23Å; T334-D349 WeakPolarHBondContact CB-OD1 3.19Å; T334-D349 PolarHBondContact OG1-OD1 2.83Å; T334-L350 WeakPolarHBondContact O-CB 3.39Å; T334-L350 WeakPolarHBondContact O-CD1 3.5Å; T334-L350 PolarHBondContact O-N 2.82Å
335	I	97.9	Very high	96.7	Very high	1 Å²	1	23.1 Å²	23.1	1%	0.005	12%	0.116	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-96.7	124.9	-172.5	-57.7	-63.1	0	0	0	111.2	S329 N332 I347 W348 D349 L370 W385 W391	S329-I335 PolarHBondContact N-O 2.97Å; N332-I335 HydrophobicContact CB-CB 4.11Å; N332-I335 HydrophobicContact CB-CG1 3.68Å; N332-I335 VanDerWaalsContact CG-CG1 3.47Å; N332-I335 WeakPolarHBondContact ND2-CG1 3.34Å; I335-I347 HydrophobicContact CG2-CG2 3.76Å; I335-W348 WeakPolarHBondContact CA-O 3.43Å; I335-D349 HydrophobicContact CD1-CB 3.65Å; I335-L370 HydrophobicContact CD1-CD2 3.96Å; I335-W385 HydrophobicContact CG2-CH2 3.74Å; I335-W385 HydrophobicContact CG2-CZ2 3.83Å; I335-W391 HydrophobicContact CB-CH2 4.48Å; I335-W391 HydrophobicContact CD1-CH2 3.76Å; I335-W391 HydrophobicContact CD1-CZ3 4.47Å; I335-W391 HydrophobicContact CG1-CH2 3.68Å; I335-W391 HydrophobicContact CG1-CZ2 4.43Å; I335-W391 HydrophobicContact CG1-CZ3 4.36Å; I335-W391 HydrophobicContact CG2-CH2 4.12Å; I335-W391 HydrophobicContact CG2-CZ3 3.93Å
336	L	98.1	Very high	96.7	Very high	0 Å²	0	22.9 Å²	22.9	0%	0	12%	0.115	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-120.9	147.4	174.5	178.6	65.5	0	0	0	108.8	A290 V301 F316 I326 W328 W348 L350	A290-L336 HydrophobicContact CB-CD1 4.28Å; A290-L336 HydrophobicContact CB-CD2 3.75Å; V301-L336 HydrophobicContact CG1-CD2 3.86Å; F316-L336 HydrophobicContact CE2-CD2 4.2Å; I326-L336 HydrophobicContact CB-CD1 4.47Å; W328-L336 HydrophobicContact CD2-CD1 3.86Å; W328-L336 HydrophobicContact CE3-CB 4.12Å; W328-L336 HydrophobicContact CE3-CD1 4.31Å; W328-L336 HydrophobicContact CG-CD1 4.07Å; W328-L336 HydrophobicContact CZ2-CD1 4.39Å; W328-L336 HydrophobicContact CZ3-CB 4.12Å; L336-W348 HydrophobicContact CB-CB 4.32Å; L336-W348 PolarHBondContact N-O 3.2Å; L336-W348 PolarHBondContact O-N 2.9Å; L336-L350 HydrophobicContact CB-CD1 4.21Å
337	A	98.4	Very high	96.7	Very high	0 Å²	0	22.8 Å²	22.8	0%	0	12%	0.115	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-123.4	152.4	168.7	0	0	0	0	0	110.7	I326 Q327 L346 I347 F383 W385	I326-A337 CarbonylContact C-O 3.59Å; I326-A337 VanDerWaalsContact CA-O 3.25Å; I326-A337 WeakPolarHBondContact CA-O 3.38Å; Q327-A337 PolarHBondContact N-O 3.46Å; Q327-A337 PolarHBondContact O-N 3.23Å; A337-L346 CarbonylContact C-O 3.54Å; A337-L346 WeakPolarHBondContact CA-O 3.49Å; A337-I347 HydrophobicContact CB-CD1 3.54Å; A337-F383 HydrophobicContact CB-CD2 4.42Å; A337-F383 HydrophobicContact CB-CE2 3.38Å; A337-F383 HydrophobicContact CB-CZ 3.48Å; A337-F383 VanDerWaalsContact CB-CZ 3.48Å; A337-F383 WeakPolarHBondContact O-CZ 3.25Å; A337-W385 HydrophobicContact CB-CZ2 3.6Å
338	S	98.1	Very high	96.7	Very high	0 Å²	0	21.1 Å²	21.1	0%	0	11%	0.107	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-141.5	148.2	173.9	57.2	0	0	0	0	111.6	H319 Q325 V345 L346 W348	H319-S338 PolarHBondContact CD2-OG 2.88Å; H319-S338 VanDerWaalsContact NE2-CB 3.34Å; H319-S338 WeakPolarHBondContact NE2-CB 3.36Å; H319-S338 PolarHBondContact NE2-OG 2.77Å; Q325-S338 CarbonylContact O-C 3.49Å; Q325-S338 WeakPolarHBondContact O-CA 3.34Å; S338-V345 CarbonylContact O-C 3.48Å; S338-V345 VanDerWaalsContact O-CA 3.28Å; S338-V345 WeakPolarHBondContact O-CA 3.36Å; S338-L346 PolarHBondContact N-O 2.91Å; S338-L346 PolarHBondContact O-N 3.28Å; S338-W348 PolarHBondContact OG-NE1 3.37Å
339	S	97.4	Very high	96.6	Very high	0 Å²	0	21.3 Å²	21.3	0%	0	11%	0.109	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-129.2	154.2	174.3	75.1	0	0	0	0	110.9	F324 Q325 R344 V380 F383	F324-S339 PolarHBondContact N-O 2.76Å; Q325-S339 PolarHBondContact N-O 2.87Å; Q325-S339 PolarHBondContact O-N 3.11Å; S339-R344 WeakPolarHBondContact CA-O 3.31Å; S339-V380 WeakPolarHBondContact CB-O 3.09Å; S339-V380 PolarHBondContact OG-O 3.11Å; S339-F383 WeakPolarHBondContact OG-CD1 3.28Å
340	G	94.6	Very high	96.5	Very high	0 Å²	0	22.8 Å²	22.8	0%	0	12%	0.116	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-151.2	-173.7	-174.2	0	0	0	0	0	115.5	E322 D342 R344 V380	E322-G340 CarbonylContact O-C 3.53Å; E322-G340 WeakPolarHBondContact O-CA 3.32Å; G340-D342 PolarHBondContact O-N 2.9Å; G340-R344 PolarHBondContact N-O 3.48Å; G340-V380 PolarHBondContact O-N 3.23Å
341	T	94.5	Very high	96.5	Very high	9 Å²	9	23.5 Å²	23.5	6%	0.055	12%	0.123	C	C	.	.	T	Hydrogen-bonded Turn	trans	-75.1	-9.1	175.4	47.2	0	0	0	0	113.3	D321 E322 F324 N343 K379	D321-T341 WeakPolarHBondContact CB-OG1 3.47Å; D321-T341 PolarHBondContact OD1-OG1 2.92Å; D321-T341 PolarHBondContact OD2-OG1 2.88Å; E322-T341 WeakPolarHBondContact CA-OG1 3.3Å; E322-T341 HydrophobicContact CB-CG2 4.05Å; E322-T341 WeakPolarHBondContact CB-OG1 3.45Å; E322-T341 PolarHBondContact N-OG1 3.17Å; E322-T341 PolarHBondContact O-N 3.47Å; E322-T341 PolarHBondContact O-OG1 3.07Å; E322-T341 VanDerWaalsContact O-OG1 3.08Å; F324-T341 HydrophobicContact CD1-CG2 4.43Å; F324-T341 HydrophobicContact CD2-CG2 4.02Å; F324-T341 HydrophobicContact CE1-CG2 3.74Å; F324-T341 HydrophobicContact CE2-CG2 3.3Å; F324-T341 HydrophobicContact CZ-CG2 3.14Å; T341-N343 PolarHBondContact O-N 2.76Å; T341-N343 PolarHBondContact O-OD1 2.87Å; T341-K379 HydrophobicContact CG2-CD 4.01Å; T341-K379 HydrophobicContact CG2-CG 4.3Å
342	D	93.2	Very high	96.4	Very high	15 Å²	15	21.9 Å²	21.9	8%	0.08	12%	0.115	C	C	.	.	T	Hydrogen-bonded Turn	trans	-80.2	9.7	173.6	60.2	0.1	0	0	0	114	H319 T320 D321 G340 R344	H319-D342 WeakPolarHBondContact CA-OD2 3.38Å; H319-D342 IonicContact CE1-OD1 2.81Å; H319-D342 IonicContact CE1-OD2 2.89Å; H319-D342 IonicContact CG-OD2 2.68Å; H319-D342 IonicContact ND1-OD1 3.59Å; H319-D342 PolarHBondContact ND1-OD1 2.99Å; H319-D342 IonicContact ND1-OD2 3.28Å; H319-D342 PolarHBondContact ND1-OD2 2.93Å; T320-D342 PolarHBondContact N-OD2 3Å; T320-D342 WeakPolarHBondContact OG1-CB 3.49Å; D321-D342 HydrophobicContact CB-CB 4.12Å; G340-D342 PolarHBondContact O-N 2.9Å; D342-R344 PolarHBondContact O-N 2.68Å; D342-R344 PolarHBondContact OD1-N 2.92Å
343	N	95.2	Very high	96.3	Very high	23 Å²	23	22 Å²	22	12%	0.123	12%	0.115	C	C	.	.	S	Bend	trans	64.9	21.7	178.2	-41.3	-29.4	0	0	0	113.1	T341 T377 A378 K379	T341-N343 PolarHBondContact O-N 2.76Å; T341-N343 PolarHBondContact O-OD1 2.87Å; N343-T377 PolarHBondContact ND2-O 2.73Å; N343-A378 WeakPolarHBondContact CA-O 3.41Å; N343-A378 VanDerWaalsContact CB-O 3.25Å; N343-A378 WeakPolarHBondContact CB-O 3.21Å; N343-A378 VanDerWaalsContact CG-C 3.42Å; N343-A378 WeakPolarHBondContact OD1-CA 3.4Å; N343-A378 PolarHBondContact OD1-O 2.79Å; N343-K379 PolarHBondContact OD1-N 3.25Å
344	R	95.6	Very high	96.1	Very high	49 Å²	49	19.5 Å²	19.5	19%	0.185	12%	0.122	C	C	.	.			trans	-117.8	152	-178.6	-59.3	-56.4	-176	-100.4	-3.7	112.2	E18 S339 G340 D342 L346 V372 H373	E18-R344 IonicContact OE2-CZ 3.69Å; E18-R344 IonicContact OE2-NH2 2.78Å; E18-R344 PolarHBondContact OE2-NH2 3.17Å; S339-R344 WeakPolarHBondContact CA-O 3.31Å; G340-R344 PolarHBondContact N-O 3.48Å; D342-R344 PolarHBondContact O-N 2.68Å; D342-R344 PolarHBondContact OD1-N 2.92Å; R344-L346 HydrophobicContact CB-CD2 4.03Å; R344-L346 HydrophobicContact CB-CG 4.47Å; R344-V372 HydrophobicContact CB-CG1 4.46Å; R344-V372 HydrophobicContact CG-CG1 4.19Å; R344-H373 WeakPolarHBondContact CA-O 3.35Å
345	V	97.9	Very high	96	Very high	0 Å²	0	22.6 Å²	22.6	0%	0	13%	0.134	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-112.7	120.2	156.4	-174.9	0	0	0	0	107.5	S338 I347 H373 V380 F383 W405	S338-V345 CarbonylContact O-C 3.48Å; S338-V345 VanDerWaalsContact O-CA 3.28Å; S338-V345 WeakPolarHBondContact O-CA 3.36Å; V345-I347 HydrophobicContact CG1-CD1 4.39Å; V345-H373 HydrophobicContact CB-CB 4.09Å; V345-H373 PolarHBondContact N-O 3.48Å; V345-H373 WeakPolarHBondContact O-CB 3.46Å; V345-H373 PolarHBondContact O-N 3.29Å; V345-V380 HydrophobicContact CG2-CG1 3.81Å; V345-F383 HydrophobicContact CG1-CD1 4.49Å; V345-F383 HydrophobicContact CG1-CD2 4.43Å; V345-F383 HydrophobicContact CG1-CG 4.34Å; V345-W405 HydrophobicContact CB-CZ2 4.09Å; V345-W405 HydrophobicContact CG1-CH2 4.35Å; V345-W405 HydrophobicContact CG1-CZ2 4.06Å
346	L	97.7	Very high	95.7	Very high	4 Å²	4	32.3 Å²	32.3	2%	0.021	18%	0.179	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-100.8	137	178.9	-55.2	-175.5	0	0	0	109.2	S318 H319 A337 S338 R344 W348 L369 V372	S318-L346 WeakPolarHBondContact OG-CD1 3.43Å; H319-L346 HydrophobicContact CB-CD1 4.4Å; A337-L346 CarbonylContact C-O 3.54Å; A337-L346 WeakPolarHBondContact CA-O 3.49Å; S338-L346 PolarHBondContact N-O 2.91Å; S338-L346 PolarHBondContact O-N 3.28Å; R344-L346 HydrophobicContact CB-CD2 4.03Å; R344-L346 HydrophobicContact CB-CG 4.47Å; L346-W348 HydrophobicContact CB-CH2 4.31Å; L346-W348 HydrophobicContact CB-CZ2 3.61Å; L346-W348 HydrophobicContact CD1-CH2 3.6Å; L346-W348 HydrophobicContact CD1-CZ2 3.37Å; L346-W348 HydrophobicContact CG-CZ2 4.11Å; L346-L369 HydrophobicContact CB-CD1 4.01Å; L346-L369 HydrophobicContact CD1-CD1 4.4Å; L346-L369 HydrophobicContact CD2-CD1 4.14Å; L346-L369 HydrophobicContact CG-CD1 4.41Å; L346-V372 HydrophobicContact CD2-CB 4.03Å; L346-V372 HydrophobicContact CD2-CG1 3.68Å; L346-V372 HydrophobicContact CD2-CG2 3.7Å
347	I	97.9	Very high	95.4	Very high	0 Å²	0	35.4 Å²	35.4	0%	0	19%	0.194	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-110.6	128.2	173.1	-50.5	-59	0	0	0	107.6	I335 A337 V345 L370 F371 W385 W391 I393 W405	I335-I347 HydrophobicContact CG2-CG2 3.76Å; A337-I347 HydrophobicContact CB-CD1 3.54Å; V345-I347 HydrophobicContact CG1-CD1 4.39Å; I347-L370 HydrophobicContact CG2-CB 4.39Å; I347-L370 HydrophobicContact CG2-CD2 4.06Å; I347-L370 WeakPolarHBondContact O-CB 3.46Å; I347-L370 PolarHBondContact O-N 2.83Å; I347-F371 HydrophobicContact CB-CB 4.05Å; I347-F371 HydrophobicContact CG1-CB 4.14Å; I347-F371 HydrophobicContact CG1-CD1 4.33Å; I347-F371 PolarHBondContact N-O 3.4Å; I347-F371 PolarHBondContact O-N 2.86Å; I347-W385 HydrophobicContact CD1-CH2 3.95Å; I347-W385 HydrophobicContact CD1-CZ2 3.95Å; I347-W385 HydrophobicContact CG2-CH2 4.28Å; I347-W391 HydrophobicContact CG2-CZ3 4.15Å; I347-I393 HydrophobicContact CD1-CD1 3.6Å; I347-W405 HydrophobicContact CD1-CH2 4.1Å; I347-W405 HydrophobicContact CG1-CH2 4.31Å
348	W	97.4	Very high	95.2	Very high	0 Å²	0	38.4 Å²	38.4	0%	0	21%	0.212	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-115.1	142.1	-177	-44.6	94.4	0	0	0	110.5	F316 I335 L336 S338 L346 E368 L369	F316-W348 HydrophobicContact CB-CD2 4.17Å; F316-W348 HydrophobicContact CB-CE3 4.07Å; F316-W348 HydrophobicContact CB-CH2 4.06Å; F316-W348 HydrophobicContact CB-CZ2 4.16Å; F316-W348 HydrophobicContact CB-CZ3 4.01Å; F316-W348 HydrophobicContact CD1-CB 4.16Å; F316-W348 AromaticContact CD1-CD2 3.91Å; F316-W348 HydrophobicContact CD1-CD2 3.91Å; F316-W348 AromaticContact CD1-CE3 3.76Å; F316-W348 HydrophobicContact CD1-CE3 3.76Å; F316-W348 HydrophobicContact CD1-CG 4.11Å; F316-W348 HydrophobicContact CD1-CZ3 4.43Å; F316-W348 HydrophobicContact CE1-CB 4.06Å; F316-W348 HydrophobicContact CE1-CG 4.46Å; F316-W348 HydrophobicContact CG-CD2 4.22Å; F316-W348 HydrophobicContact CG-CE3 4.28Å; I335-W348 WeakPolarHBondContact CA-O 3.43Å; L336-W348 HydrophobicContact CB-CB 4.32Å; L336-W348 PolarHBondContact N-O 3.2Å; L336-W348 PolarHBondContact O-N 2.9Å; S338-W348 PolarHBondContact OG-NE1 3.37Å; L346-W348 HydrophobicContact CB-CH2 4.31Å; L346-W348 HydrophobicContact CB-CZ2 3.61Å; L346-W348 HydrophobicContact CD1-CH2 3.6Å; L346-W348 HydrophobicContact CD1-CZ2 3.37Å; L346-W348 HydrophobicContact CG-CZ2 4.11Å; W348-E368 CarbonylContact C-O 3.51Å; W348-E368 WeakPolarHBondContact CA-O 3.42Å; W348-E368 HydrophobicContact CE3-CG 4.33Å; W348-L369 HydrophobicContact CD2-CD1 4.38Å; W348-L369 HydrophobicContact CE3-CB 4.11Å; W348-L369 HydrophobicContact CE3-CD1 3.82Å; W348-L369 HydrophobicContact CH2-CD1 3.95Å; W348-L369 HydrophobicContact CZ2-CD1 4.48Å; W348-L369 HydrophobicContact CZ3-CB 3.91Å; W348-L369 HydrophobicContact CZ3-CD1 3.58Å; W348-L369 HydrophobicContact CZ3-CG 4.26Å
349	D	96.4	Very high	94.9	Very high	17 Å²	17	43.2 Å²	43.2	9%	0.091	24%	0.243	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-117.4	109.3	170.1	-169.8	-9.4	0	0	0	110.6	T334 I335 S351 K352 E368 L370	T334-D349 VanDerWaalsContact CB-OD1 3.23Å; T334-D349 WeakPolarHBondContact CB-OD1 3.19Å; T334-D349 PolarHBondContact OG1-OD1 2.83Å; I335-D349 HydrophobicContact CD1-CB 3.65Å; D349-S351 PolarHBondContact O-N 3.43Å; D349-S351 WeakPolarHBondContact OD1-CB 3.1Å; D349-S351 PolarHBondContact OD1-N 3.25Å; D349-S351 PolarHBondContact OD1-OG 3.06Å; D349-S351 PolarHBondContact OD2-OG 3.48Å; D349-S351 VanDerWaalsContact OD2-OG 3.04Å; D349-K352 HydrophobicContact CB-CD 4.42Å; D349-K352 HydrophobicContact CB-CG 4.31Å; D349-K352 PolarHBondContact O-N 3.25Å; D349-E368 PolarHBondContact N-O 3.44Å; D349-E368 VanDerWaalsContact O-CB 3.31Å; D349-E368 WeakPolarHBondContact O-CB 3.49Å; D349-L370 HydrophobicContact CB-CB 4.35Å
350	L	96.3	Very high	94.5	Very high	34 Å²	34	49.6 Å²	49.6	18%	0.178	27%	0.273	C	S	.	.	G	3₁₀ helix	trans	-61.5	-23.1	178.4	-86.3	70.6	0	0	0	113.3	L303 F316 W328 T334 L336 K352 I353	L303-L350 HydrophobicContact CD1-CD2 3.95Å; L303-L350 HydrophobicContact CD2-CD2 3.69Å; L303-L350 HydrophobicContact CD2-CG 4.3Å; L303-L350 HydrophobicContact CG-CD2 4.5Å; F316-L350 HydrophobicContact CE1-CD1 4.22Å; F316-L350 HydrophobicContact CZ-CD1 3.64Å; F316-L350 HydrophobicContact CZ-CG 3.99Å; W328-L350 HydrophobicContact CH2-CD1 3.92Å; W328-L350 HydrophobicContact CH2-CD2 3.56Å; W328-L350 HydrophobicContact CH2-CG 4.42Å; W328-L350 HydrophobicContact CZ3-CD1 3.85Å; W328-L350 HydrophobicContact CZ3-CD2 3.92Å; T334-L350 WeakPolarHBondContact O-CB 3.39Å; T334-L350 WeakPolarHBondContact O-CD1 3.5Å; T334-L350 PolarHBondContact O-N 2.82Å; L336-L350 HydrophobicContact CB-CD1 4.21Å; L350-K352 PolarHBondContact O-N 3.06Å; L350-I353 HydrophobicContact CB-CD1 4.14Å; L350-I353 HydrophobicContact CG-CD1 3.98Å; L350-I353 WeakPolarHBondContact O-CG1 3.41Å; L350-I353 PolarHBondContact O-N 2.91Å
351	S	95.4	Very high	94.3	Very high	71 Å²	71	53.4 Å²	53.4	50%	0.497	29%	0.293	S	S	.	.	G	3₁₀ helix	trans	-69	-24.4	-179.7	71.4	0	0	0	0	112.6	D349	D349-S351 PolarHBondContact O-N 3.43Å; D349-S351 WeakPolarHBondContact OD1-CB 3.1Å; D349-S351 PolarHBondContact OD1-N 3.25Å; D349-S351 PolarHBondContact OD1-OG 3.06Å; D349-S351 PolarHBondContact OD2-OG 3.48Å; D349-S351 VanDerWaalsContact OD2-OG 3.04Å
352	K	94.2	Very high	94	Very high	32 Å²	32	59.4 Å²	59.4	14%	0.139	32%	0.321	C	S	.	.	G	3₁₀ helix	trans	-90.3	-0.1	-178.2	-61.3	-171.3	169.8	-68	0	114.2	D349 L350 G354 E355 P367 E414	D349-K352 HydrophobicContact CB-CD 4.42Å; D349-K352 HydrophobicContact CB-CG 4.31Å; D349-K352 PolarHBondContact O-N 3.25Å; L350-K352 PolarHBondContact O-N 3.06Å; K352-G354 PolarHBondContact O-N 2.79Å; K352-G354 VanDerWaalsContact O-N 3.12Å; K352-E355 HydrophobicContact CB-CG 4.37Å; K352-E355 IonicContact NZ-OE2 3.52Å; K352-E355 WeakPolarHBondContact O-CB 3.46Å; K352-E355 WeakPolarHBondContact O-CG 3.48Å; K352-E355 PolarHBondContact O-N 3.13Å; K352-E355 VanDerWaalsContact O-N 3.08Å; K352-P367 HydrophobicContact CB-CB 4.5Å; K352-P367 WeakPolarHBondContact CB-O 3.36Å; K352-P367 WeakPolarHBondContact CD-O 3.23Å; K352-P367 WeakPolarHBondContact O-CB 3.43Å; K352-P367 WeakPolarHBondContact O-CG 3.16Å; K352-E414 IonicContact NZ-OE1 2.76Å; K352-E414 PolarHBondContact NZ-OE1 3.47Å
353	I	94.2	Very high	93.8	Very high	57 Å²	57	62.7 Å²	62.7	29%	0.292	35%	0.35	S	S	.	.	T	Hydrogen-bonded Turn	trans	-60.3	120	178.9	-67	170.5	0	0	0	109.6	H314 F316 L350 E368	H314-I353 HydrophobicContact CB-CD1 4.27Å; F316-I353 HydrophobicContact CE1-CD1 4.06Å; F316-I353 HydrophobicContact CE1-CG1 4.43Å; F316-I353 HydrophobicContact CZ-CD1 4.08Å; L350-I353 HydrophobicContact CB-CD1 4.14Å; L350-I353 HydrophobicContact CG-CD1 3.98Å; L350-I353 WeakPolarHBondContact O-CG1 3.41Å; L350-I353 PolarHBondContact O-N 2.91Å; I353-E368 HydrophobicContact CG1-CB 3.8Å; I353-E368 HydrophobicContact CG1-CG 4.18Å
354	G	91.9	Very high	93.4	Very high	69 Å²	69	68.5 Å²	68.5	71%	0.711	38%	0.381	S	S	*	.	T	Hydrogen-bonded Turn	trans	80.3	12.8	178.4	0	0	0	0	0	114.8	K352	K352-G354 PolarHBondContact O-N 2.79Å; K352-G354 VanDerWaalsContact O-N 3.12Å
355	E	93.2	Very high	93.2	Very high	94 Å²	94	66.9 Å²	66.9	44%	0.439	38%	0.38	S	S	.	.			trans	-63.7	144.7	166.6	-72.3	-174.1	170.1	0	0	111.1	K352 P367	K352-E355 HydrophobicContact CB-CG 4.37Å; K352-E355 IonicContact NZ-OE2 3.52Å; K352-E355 WeakPolarHBondContact O-CB 3.46Å; K352-E355 WeakPolarHBondContact O-CG 3.48Å; K352-E355 PolarHBondContact O-N 3.13Å; K352-E355 VanDerWaalsContact O-N 3.08Å; E355-P367 HydrophobicContact CB-CB 4Å; E355-P367 HydrophobicContact CB-CG 4.42Å
356	E	92.9	Very high	92.9	Very high	204 Å²	204	68.4 Å²	68.4	95%	0.953	39%	0.39	S	S	*	.			trans	-78.3	126	176.9	-66.5	-176.7	171.2	0	0	109.9
357	Q	91.9	Very high	92.8	Very high	66 Å²	66	69.4 Å²	69.4	31%	0.308	40%	0.397	S	S	.	.			trans	-106.1	157.6	176.8	-73.6	180	-58.4	0	0	111.8	D361 E362 G365 P367	Q357-D361 HydrophobicContact CB-CB 4.14Å; Q357-D361 HydrophobicContact CG-CB 4.34Å; Q357-E362 HydrophobicContact CB-CB 4.34Å; Q357-G365 PolarHBondContact NE2-O 2.95Å; Q357-G365 PolarHBondContact OE1-O 2.86Å; Q357-P367 HydrophobicContact CG-CB 3.89Å; Q357-P367 HydrophobicContact CG-CG 4.46Å; Q357-P367 VanDerWaalsContact OE1-CD 3.23Å
358	T	92.7	Very high	92.6	Very high	63 Å²	63	69.9 Å²	69.9	39%	0.387	40%	0.399	S	S	.	.			trans	-71.8	157.5	164.7	70	0	0	0	0	110	E360 D361 E362	T358-E360 PolarHBondContact O-N 2.91Å; T358-E360 PolarHBondContact OG1-OE2 3.09Å; T358-D361 PolarHBondContact O-N 2.97Å; T358-D361 VanDerWaalsContact O-N 3.12Å; T358-D361 PolarHBondContact OG1-N 2.95Å; T358-D361 PolarHBondContact OG1-OD2 2.94Å; T358-E362 WeakPolarHBondContact O-CB 3.18Å; T358-E362 PolarHBondContact O-N 3.04Å
359	P	91.6	Very high	92.5	Very high	100 Å²	100	71.2 Å²	71.2	65%	0.649	41%	0.406	S	S	*	.	H	α-helix	trans	-59.6	-27	175.9	-24	34.7	0	0	0	113.5	A363	P359-A363 PolarHBondContact O-N 3.22Å
360	E	90.6	Very high	92.4	Very high	134 Å²	134	71.9 Å²	71.9	63%	0.626	41%	0.409	S	S	*	.	H	α-helix	trans	-68.7	-47.9	173.3	-64.7	82	-175	0	0	111.4	T358 A363	T358-E360 PolarHBondContact O-N 2.91Å; T358-E360 PolarHBondContact OG1-OE2 3.09Å; E360-A363 WeakPolarHBondContact O-CB 3.33Å; E360-A363 PolarHBondContact O-N 3.15Å
361	D	89.8	Confident	92.4	Very high	80 Å²	80	70.9 Å²	70.9	43%	0.428	40%	0.404	S	S	.	.	H	α-helix	trans	-69.7	-37.4	-179.6	-55.7	-44.4	0	0	0	112.1	Q357 T358 A363 D364 G365	Q357-D361 HydrophobicContact CB-CB 4.14Å; Q357-D361 HydrophobicContact CG-CB 4.34Å; T358-D361 PolarHBondContact O-N 2.97Å; T358-D361 VanDerWaalsContact O-N 3.12Å; T358-D361 PolarHBondContact OG1-N 2.95Å; T358-D361 PolarHBondContact OG1-OD2 2.94Å; D361-A363 PolarHBondContact O-N 2.81Å; D361-D364 PolarHBondContact O-N 2.82Å; D361-G365 PolarHBondContact O-N 3.48Å
362	E	88.5	Confident	92.4	Very high	136 Å²	136	70.4 Å²	70.4	64%	0.636	40%	0.398	S	S	*	.	H	α-helix	trans	-61.2	-27.9	176.2	-172.8	-178	-172	0	0	111.6	Q357 T358 D364	Q357-E362 HydrophobicContact CB-CB 4.34Å; T358-E362 WeakPolarHBondContact O-CB 3.18Å; T358-E362 PolarHBondContact O-N 3.04Å; E362-D364 VanDerWaalsContact C-N 3.32Å
363	A	88.9	Confident	92.5	Very high	84 Å²	84	68.9 Å²	68.9	69%	0.694	39%	0.391	S	S	*	.	H	α-helix	trans	-72.8	-25.2	176.3	0	0	0	0	0	113	P359 E360 D361	P359-A363 PolarHBondContact O-N 3.22Å; E360-A363 WeakPolarHBondContact O-CB 3.33Å; E360-A363 PolarHBondContact O-N 3.15Å; D361-A363 PolarHBondContact O-N 2.81Å
364	D	87	Confident	92.5	Very high	144 Å²	144	66.7 Å²	66.7	77%	0.77	38%	0.382	S	S	*	.	H	α-helix	trans	-85.9	-23.9	178.9	-72.4	-24.6	0	0	0	112.3	D361 E362	D361-D364 PolarHBondContact O-N 2.82Å; E362-D364 VanDerWaalsContact C-N 3.32Å
365	G	90	Very high	92.6	Very high	16 Å²	16	63.4 Å²	63.4	17%	0.165	35%	0.349	C	S	.	.			trans	154.5	173.7	173.6	0	0	0	0	0	113.3	Q357 D361	Q357-G365 PolarHBondContact NE2-O 2.95Å; Q357-G365 PolarHBondContact OE1-O 2.86Å; D361-G365 PolarHBondContact O-N 3.48Å
366	P	93.4	Very high	92.7	Very high	32 Å²	32	59 Å²	59	21%	0.208	33%	0.328	C	S	.	.			trans	-66.4	155.4	177.6	31.9	-36.6	0	0	0	111.1	E368 L369	P366-E368 PolarHBondContact O-N 2.76Å; P366-L369 HydrophobicContact CG-CB 4.07Å; P366-L369 WeakPolarHBondContact O-CB 3.3Å; P366-L369 PolarHBondContact O-N 2.84Å
367	P	94.1	Very high	92.8	Very high	24 Å²	24	52 Å²	52	16%	0.156	30%	0.299	C	S	.	.	T	Hydrogen-bonded Turn	trans	-63.9	-28.6	-172.3	25.7	-33.1	0	0	0	113.3	K352 E355 Q357 L369	K352-P367 HydrophobicContact CB-CB 4.5Å; K352-P367 WeakPolarHBondContact CB-O 3.36Å; K352-P367 WeakPolarHBondContact CD-O 3.23Å; K352-P367 WeakPolarHBondContact O-CB 3.43Å; K352-P367 WeakPolarHBondContact O-CG 3.16Å; E355-P367 HydrophobicContact CB-CB 4Å; E355-P367 HydrophobicContact CB-CG 4.42Å; Q357-P367 HydrophobicContact CG-CB 3.89Å; Q357-P367 HydrophobicContact CG-CG 4.46Å; Q357-P367 VanDerWaalsContact OE1-CD 3.23Å; P367-L369 PolarHBondContact O-N 3.42Å
368	E	94.8	Very high	93	Very high	10 Å²	10	49.8 Å²	49.8	5%	0.047	29%	0.292	C	S	.	.	T	Hydrogen-bonded Turn	trans	-74.4	-9.2	175.9	68.7	-88.8	-156.7	0	0	114.3	H314 F316 W348 D349 I353 P366 L370	H314-E368 IonicContact CD2-OE1 3.83Å; H314-E368 IonicContact CE1-OE1 3.67Å; H314-E368 IonicContact NE2-OE1 2.79Å; H314-E368 PolarHBondContact NE2-OE1 3.32Å; F316-E368 HydrophobicContact CD1-CG 3.59Å; F316-E368 HydrophobicContact CE1-CB 4.3Å; F316-E368 HydrophobicContact CE1-CG 3.79Å; W348-E368 CarbonylContact C-O 3.51Å; W348-E368 WeakPolarHBondContact CA-O 3.42Å; W348-E368 HydrophobicContact CE3-CG 4.33Å; D349-E368 PolarHBondContact N-O 3.44Å; D349-E368 VanDerWaalsContact O-CB 3.31Å; D349-E368 WeakPolarHBondContact O-CB 3.49Å; I353-E368 HydrophobicContact CG1-CB 3.8Å; I353-E368 HydrophobicContact CG1-CG 4.18Å; P366-E368 PolarHBondContact O-N 2.76Å; E368-L370 PolarHBondContact O-N 2.98Å; E368-L370 VanDerWaalsContact O-N 3.14Å
369	L	95.2	Very high	93.2	Very high	28 Å²	28	51 Å²	51	15%	0.147	29%	0.292	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-79.9	91.7	173.2	-179.1	62.9	0	0	0	109.9	S318 L346 W348 P366 P367 V372	S318-L369 WeakPolarHBondContact OG-CD2 3.48Å; L346-L369 HydrophobicContact CB-CD1 4.01Å; L346-L369 HydrophobicContact CD1-CD1 4.4Å; L346-L369 HydrophobicContact CD2-CD1 4.14Å; L346-L369 HydrophobicContact CG-CD1 4.41Å; W348-L369 HydrophobicContact CD2-CD1 4.38Å; W348-L369 HydrophobicContact CE3-CB 4.11Å; W348-L369 HydrophobicContact CE3-CD1 3.82Å; W348-L369 HydrophobicContact CH2-CD1 3.95Å; W348-L369 HydrophobicContact CZ2-CD1 4.48Å; W348-L369 HydrophobicContact CZ3-CB 3.91Å; W348-L369 HydrophobicContact CZ3-CD1 3.58Å; W348-L369 HydrophobicContact CZ3-CG 4.26Å; P366-L369 HydrophobicContact CG-CB 4.07Å; P366-L369 WeakPolarHBondContact O-CB 3.3Å; P366-L369 PolarHBondContact O-N 2.84Å; P367-L369 PolarHBondContact O-N 3.42Å; L369-V372 HydrophobicContact CD1-CG2 4.12Å; L369-V372 HydrophobicContact CD2-CG2 3.84Å; L369-V372 HydrophobicContact CG-CG2 4.16Å
370	L	94.7	Very high	93.5	Very high	31 Å²	31	46.3 Å²	46.3	16%	0.162	26%	0.261	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-69.9	-42.1	-177.7	-179	65.6	0	0	0	112.7	I335 I347 D349 E368 W391	I335-L370 HydrophobicContact CD1-CD2 3.96Å; I347-L370 HydrophobicContact CG2-CB 4.39Å; I347-L370 HydrophobicContact CG2-CD2 4.06Å; I347-L370 WeakPolarHBondContact O-CB 3.46Å; I347-L370 PolarHBondContact O-N 2.83Å; D349-L370 HydrophobicContact CB-CB 4.35Å; E368-L370 PolarHBondContact O-N 2.98Å; E368-L370 VanDerWaalsContact O-N 3.14Å; L370-W391 HydrophobicContact CD2-CH2 3.76Å; L370-W391 HydrophobicContact CD2-CZ3 3.97Å
371	F	95.8	Very high	93.8	Very high	14 Å²	14	40.5 Å²	40.5	6%	0.061	24%	0.235	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-157.2	145.6	-174.8	-173.4	-101.8	0	0	0	113.4	L29 Y30 I347 H373 W405 L407 I411	L29-F371 HydrophobicContact CB-CE2 4.09Å; L29-F371 HydrophobicContact CB-CZ 4.11Å; L29-F371 HydrophobicContact CD2-CE2 4.09Å; Y30-F371 HydrophobicContact CD1-CZ 4.3Å; Y30-F371 AromaticContact CE1-CE1 3.67Å; Y30-F371 HydrophobicContact CE1-CE1 3.67Å; Y30-F371 AromaticContact CE1-CZ 3.45Å; Y30-F371 HydrophobicContact CE1-CZ 3.45Å; Y30-F371 VanDerWaalsContact CE1-CZ 3.45Å; Y30-F371 AromaticContact CZ-CZ 3.69Å; Y30-F371 WeakPolarHBondContact OH-CZ 3.28Å; I347-F371 HydrophobicContact CB-CB 4.05Å; I347-F371 HydrophobicContact CG1-CB 4.14Å; I347-F371 HydrophobicContact CG1-CD1 4.33Å; I347-F371 PolarHBondContact N-O 3.4Å; I347-F371 PolarHBondContact O-N 2.86Å; F371-H373 HydrophobicContact CD1-CB 4.39Å; F371-H373 HydrophobicContact CE1-CB 3.9Å; F371-W405 HydrophobicContact CD1-CZ3 4.07Å; F371-W405 HydrophobicContact CE1-CE3 4.42Å; F371-W405 AromaticContact CE1-CZ3 3.87Å; F371-W405 HydrophobicContact CE1-CZ3 3.87Å; F371-L407 HydrophobicContact CB-CD2 3.78Å; F371-L407 HydrophobicContact CD1-CD2 4.07Å; F371-L407 HydrophobicContact CD1-CG 4.13Å; F371-L407 HydrophobicContact CD2-CD2 4.34Å; F371-L407 HydrophobicContact CE1-CG 4.4Å; F371-L407 HydrophobicContact CG-CD2 3.81Å; F371-L407 HydrophobicContact CG-CG 4.26Å; F371-I411 HydrophobicContact CD2-CD1 3.93Å; F371-I411 HydrophobicContact CD2-CG2 4.12Å; F371-I411 HydrophobicContact CE2-CD1 3.76Å
372	V	95.6	Very high	94.2	Very high	61 Å²	61	36.7 Å²	36.7	37%	0.37	22%	0.215	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-117.5	109.8	174.2	-177	0	0	0	0	110	R344 L346 L369 G374	R344-V372 HydrophobicContact CB-CG1 4.46Å; R344-V372 HydrophobicContact CG-CG1 4.19Å; L346-V372 HydrophobicContact CD2-CB 4.03Å; L346-V372 HydrophobicContact CD2-CG1 3.68Å; L346-V372 HydrophobicContact CD2-CG2 3.7Å; L369-V372 HydrophobicContact CD1-CG2 4.12Å; L369-V372 HydrophobicContact CD2-CG2 3.84Å; L369-V372 HydrophobicContact CG-CG2 4.16Å; V372-G374 PolarHBondContact O-N 3.21Å
373	H	96.9	Very high	94.7	Very high	0 Å²	0	30.2 Å²	30.2	0%	0	19%	0.185	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-82.4	102	169	177.8	68.2	0	0	0	110.2	Y30 R344 V345 F371 H376 Q403 W405	Y30-H373 AromaticContact CE1-ND1 3.75Å; Y30-H373 AromaticContact CZ-ND1 3.52Å; Y30-H373 PolarHBondContact OH-ND1 3.02Å; R344-H373 WeakPolarHBondContact CA-O 3.35Å; V345-H373 HydrophobicContact CB-CB 4.09Å; V345-H373 PolarHBondContact N-O 3.48Å; V345-H373 WeakPolarHBondContact O-CB 3.46Å; V345-H373 PolarHBondContact O-N 3.29Å; F371-H373 HydrophobicContact CD1-CB 4.39Å; F371-H373 HydrophobicContact CE1-CB 3.9Å; H373-H376 AromaticContact NE2-CD2 3.71Å; H373-H376 AromaticContact NE2-NE2 3.97Å; H373-Q403 PolarHBondContact CE1-OE1 3.23Å; H373-Q403 PolarHBondContact NE2-OE1 3.29Å; H373-Q403 VanDerWaalsContact NE2-OE1 3.17Å; H373-W405 HydrophobicContact CB-CH2 3.67Å; H373-W405 HydrophobicContact CB-CZ2 3.71Å; H373-W405 HydrophobicContact CB-CZ3 4.12Å; H373-W405 AromaticContact CD2-CE2 3.77Å; H373-W405 AromaticContact CD2-CZ2 3.9Å; H373-W405 AromaticContact CD2-NE1 3.67Å; H373-W405 AromaticContact CE1-CD1 3.58Å; H373-W405 AromaticContact CE1-CE2 3.99Å; H373-W405 AromaticContact CE1-CG 3.85Å; H373-W405 AromaticContact CE1-NE1 3.69Å; H373-W405 AromaticContact CG-CE2 3.64Å; H373-W405 AromaticContact CG-CZ2 3.69Å; H373-W405 AromaticContact CG-NE1 3.96Å; H373-W405 AromaticContact ND1-CD2 3.8Å; H373-W405 AromaticContact ND1-CE2 3.8Å; H373-W405 AromaticContact ND1-CG 3.99Å; H373-W405 AromaticContact ND1-NE1 3.98Å; H373-W405 AromaticContact NE2-CD1 3.74Å; H373-W405 AromaticContact NE2-CE2 3.98Å; H373-W405 AromaticContact NE2-NE1 3.48Å; H373-W405 PolarHBondContact NE2-NE1 2.92Å
374	G	94.1	Very high	95.2	Very high	10 Å²	10	26.5 Å²	26.5	10%	0.103	15%	0.154	C	C	.	.			trans	-100.5	23.9	179.4	0	0	0	0	0	115.3	V372	V372-G374 PolarHBondContact O-N 3.21Å
375	G	93.2	Very high	95.7	Very high	1 Å²	1	20.1 Å²	20.1	1%	0.01	12%	0.119	C	C	.	.			trans	-75	-22	-175.3	0	0	0	0	0	115.3	H19 Q403	H19-G375 PolarHBondContact CE1-O 2.91Å; H19-G375 PolarHBondContact ND1-O 2.76Å; G375-Q403 PolarHBondContact O-NE2 3.18Å
376	H	95.5	Very high	96.1	Very high	2 Å²	2	19.4 Å²	19.4	1%	0.009	11%	0.111	C	C	.	.			trans	-87.6	146.9	-177.1	-73.2	-67	0	0	0	112.1	H373 V380 S395 A397 V401 Q403	H373-H376 AromaticContact NE2-CD2 3.71Å; H373-H376 AromaticContact NE2-NE2 3.97Å; H376-V380 HydrophobicContact CB-CG2 3.89Å; H376-S395 PolarHBondContact NE2-OG 2.86Å; H376-A397 HydrophobicContact CB-CB 4.17Å; H376-A397 VanDerWaalsContact ND1-CB 3.28Å; H376-A397 WeakPolarHBondContact ND1-CB 3.35Å; H376-V401 PolarHBondContact CE1-O 3.26Å; H376-Q403 VanDerWaalsContact CE1-CG 3.45Å; H376-Q403 WeakPolarHBondContact CE1-CG 3.49Å; H376-Q403 PolarHBondContact ND1-NE2 3.08Å
377	T	94.8	Very high	96.1	Very high	55 Å²	55	20.5 Å²	20.5	34%	0.337	12%	0.119	S	C	.	.	S	Bend	trans	-105.1	-2.3	176.4	60.5	0	0	0	0	113.6	I15 H19 N343 D399	I15-T377 HydrophobicContact CG2-CG2 4.18Å; H19-T377 HydrophobicContact CB-CG2 3.87Å; N343-T377 PolarHBondContact ND2-O 2.73Å; T377-D399 PolarHBondContact N-OD2 3.26Å; T377-D399 PolarHBondContact OG1-OD2 2.93Å
378	A	96.1	Very high	96.1	Very high	20 Å²	20	21.6 Å²	21.6	17%	0.165	12%	0.124	C	C	.	.	S	Bend	trans	-136.3	177.1	174.5	0	0	0	0	0	111.1	N343 D398 D399	N343-A378 WeakPolarHBondContact CA-O 3.41Å; N343-A378 VanDerWaalsContact CB-O 3.25Å; N343-A378 WeakPolarHBondContact CB-O 3.21Å; N343-A378 VanDerWaalsContact CG-C 3.42Å; N343-A378 WeakPolarHBondContact OD1-CA 3.4Å; N343-A378 PolarHBondContact OD1-O 2.79Å; A378-D398 HydrophobicContact CB-CB 4.12Å; A378-D399 HydrophobicContact CB-CB 3.67Å; A378-D399 PolarHBondContact N-OD2 3.13Å
379	K	96.6	Very high	96.1	Very high	90 Å²	90	21.6 Å²	21.6	39%	0.391	13%	0.126	S	C	.	.			trans	-58.4	145.6	-174.6	-55.2	173.2	172.2	-175.9	0	110.9	F324 T341 N343 P381 A397 D398	F324-K379 HydrophobicContact CE2-CB 4.06Å; F324-K379 HydrophobicContact CE2-CD 4.29Å; T341-K379 HydrophobicContact CG2-CD 4.01Å; T341-K379 HydrophobicContact CG2-CG 4.3Å; N343-K379 PolarHBondContact OD1-N 3.25Å; K379-P381 WeakPolarHBondContact O-CD 3Å; K379-A397 WeakPolarHBondContact O-CA 3.43Å; K379-A397 WeakPolarHBondContact O-CB 3.38Å; K379-D398 WeakPolarHBondContact CD-OD2 3.47Å; K379-D398 PolarHBondContact O-N 3.42Å; K379-D398 VanDerWaalsContact O-N 3.09Å
380	V	98	Very high	95.9	Very high	0 Å²	0	25.3 Å²	25.3	0%	0	15%	0.145	C	C	.	.			trans	-109.9	88.3	-178.2	-173.2	0	0	0	0	110.1	S339 G340 V345 H376 D382 V396	S339-V380 WeakPolarHBondContact CB-O 3.09Å; S339-V380 PolarHBondContact OG-O 3.11Å; G340-V380 PolarHBondContact O-N 3.23Å; V345-V380 HydrophobicContact CG2-CG1 3.81Å; H376-V380 HydrophobicContact CB-CG2 3.89Å; V380-D382 PolarHBondContact O-N 3.41Å; V380-V396 WeakPolarHBondContact CA-O 3.46Å; V380-V396 WeakPolarHBondContact CG1-O 3.39Å
381	P	97.4	Very high	96	Very high	13 Å²	13	25.3 Å²	25.3	8%	0.084	14%	0.143	C	C	.	.			trans	-68.5	-28.9	-174.9	25.7	-37.2	0	0	0	115	L43 F324 K379 V396	L43-P381 HydrophobicContact CD2-CB 4.13Å; L43-P381 HydrophobicContact CD2-CG 4.21Å; F324-P381 HydrophobicContact CD2-CB 4.5Å; K379-P381 WeakPolarHBondContact O-CD 3Å; P381-V396 VanDerWaalsContact CD-O 3.3Å; P381-V396 WeakPolarHBondContact CD-O 2.94Å; P381-V396 HydrophobicContact CG-CG2 4.42Å
382	D	98.3	Very high	95.9	Very high	0 Å²	0	24.9 Å²	24.9	0%	0	14%	0.142	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-152.9	152.2	179.9	-152.3	19.2	0	0	0	110.4	L43 T44 V45 R129 R131 Q325 V380 V396	L43-D382 WeakPolarHBondContact O-CB 2.97Å; T44-D382 VanDerWaalsContact CA-OD2 3.29Å; T44-D382 WeakPolarHBondContact CA-OD2 3.48Å; T44-D382 PolarHBondContact OG1-OD2 3.17Å; T44-D382 VanDerWaalsContact OG1-OD2 3.07Å; V45-D382 HydrophobicContact CG1-CB 4.28Å; V45-D382 PolarHBondContact N-OD2 2.97Å; R129-D382 IonicContact NH1-OD1 3.14Å; R131-D382 IonicContact CZ-OD2 2.81Å; R131-D382 IonicContact NH1-OD2 2.81Å; R131-D382 PolarHBondContact NH1-OD2 2.89Å; R131-D382 IonicContact NH2-OD1 3.62Å; R131-D382 PolarHBondContact NH2-OD1 3.1Å; R131-D382 IonicContact NH2-OD2 3.85Å; R131-D382 PolarHBondContact NH2-OD2 3.34Å; Q325-D382 PolarHBondContact NE2-OD1 3.38Å; Q325-D382 VanDerWaalsContact NE2-OD1 3.07Å; V380-D382 PolarHBondContact O-N 3.41Å; D382-V396 HydrophobicContact CB-CG2 4.27Å; D382-V396 WeakPolarHBondContact O-CG2 3.31Å; D382-V396 PolarHBondContact O-N 2.87Å
383	F	98.6	Very high	96.1	Very high	0 Å²	0	22 Å²	22	0%	0	12%	0.124	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-146.3	167.4	171.4	72.2	-84.3	0	0	0	108.9	Q325 Q327 A337 S339 V345 W385 I393 C394	Q325-F383 HydrophobicContact CB-CD1 4.19Å; Q325-F383 HydrophobicContact CB-CE1 3.97Å; Q325-F383 HydrophobicContact CG-CD1 4.11Å; Q325-F383 HydrophobicContact CG-CE1 3.82Å; Q327-F383 HydrophobicContact CB-CE2 3.9Å; Q327-F383 HydrophobicContact CB-CZ 3.86Å; Q327-F383 HydrophobicContact CG-CE2 4.33Å; Q327-F383 HydrophobicContact CG-CZ 4.15Å; Q327-F383 PolarHBondContact NE2-O 3.01Å; A337-F383 HydrophobicContact CB-CD2 4.42Å; A337-F383 HydrophobicContact CB-CE2 3.38Å; A337-F383 HydrophobicContact CB-CZ 3.48Å; A337-F383 VanDerWaalsContact CB-CZ 3.48Å; A337-F383 WeakPolarHBondContact O-CZ 3.25Å; S339-F383 WeakPolarHBondContact OG-CD1 3.28Å; V345-F383 HydrophobicContact CG1-CD1 4.49Å; V345-F383 HydrophobicContact CG1-CD2 4.43Å; V345-F383 HydrophobicContact CG1-CG 4.34Å; F383-W385 AromaticContact CE2-NE1 3.96Å; F383-I393 HydrophobicContact CB-CG2 4.27Å; F383-I393 HydrophobicContact CD2-CG2 3.98Å; F383-C394 CarbonylContact C-O 3.52Å; F383-C394 WeakPolarHBondContact CA-O 3.48Å; F383-C394 VanDerWaalsContact CB-O 3.27Å; F383-C394 WeakPolarHBondContact CB-O 3.38Å
384	S	98.6	Very high	96.1	Very high	6 Å²	6	22 Å²	22	4%	0.042	12%	0.124	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-149.9	135.6	177.9	-174.5	0	0	0	0	112.2	W47 I393 C394	W47-S384 PolarHBondContact N-OG 3.41Å; W47-S384 PolarHBondContact NE1-O 2.89Å; W47-S384 VanDerWaalsContact NE1-O 3.09Å; S384-I393 WeakPolarHBondContact O-CA 3.35Å; S384-C394 PolarHBondContact N-O 3.47Å; S384-C394 PolarHBondContact O-N 2.85Å
385	W	98.4	Very high	96.3	Very high	10 Å²	10	21.5 Å²	21.5	4%	0.038	12%	0.119	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-73.3	136.2	168.5	-67.3	99.3	0	0	0	111.5	Q327 P330 I335 A337 I347 F383 S387 W391 I393	Q327-W385 PolarHBondContact O-NE1 2.87Å; Q327-W385 VanDerWaalsContact O-NE1 3.11Å; P330-W385 VanDerWaalsContact CD-CB 3.42Å; P330-W385 HydrophobicContact CG-CB 3.91Å; I335-W385 HydrophobicContact CG2-CH2 3.74Å; I335-W385 HydrophobicContact CG2-CZ2 3.83Å; A337-W385 HydrophobicContact CB-CZ2 3.6Å; I347-W385 HydrophobicContact CD1-CH2 3.95Å; I347-W385 HydrophobicContact CD1-CZ2 3.95Å; I347-W385 HydrophobicContact CG2-CH2 4.28Å; F383-W385 AromaticContact CE2-NE1 3.96Å; W385-S387 PolarHBondContact O-N 3.39Å; W385-W391 HydrophobicContact CH2-CE3 4.08Å; W385-W391 HydrophobicContact CH2-CZ3 4.13Å; W385-W391 AromaticContact CZ3-CE3 3.97Å; W385-W391 HydrophobicContact CZ3-CE3 3.97Å; W385-W391 HydrophobicContact CZ3-CZ3 4.46Å; W385-I393 HydrophobicContact CD2-CD1 3.89Å; W385-I393 HydrophobicContact CD2-CG1 3.87Å; W385-I393 HydrophobicContact CE3-CD1 3.62Å; W385-I393 HydrophobicContact CE3-CG1 3.46Å; W385-I393 VanDerWaalsContact CE3-CG1 3.46Å; W385-I393 HydrophobicContact CH2-CD1 3.57Å; W385-I393 HydrophobicContact CH2-CG1 4.36Å; W385-I393 HydrophobicContact CZ2-CD1 3.86Å; W385-I393 HydrophobicContact CZ3-CD1 3.44Å; W385-I393 VanDerWaalsContact CZ3-CD1 3.44Å; W385-I393 HydrophobicContact CZ3-CG1 3.74Å
386	N	97.3	Very high	96.6	Very high	0 Å²	0	21.5 Å²	21.5	0%	0	12%	0.119	C	C	.	.			trans	-79.2	113.9	172.3	-169.3	-22.6	0	0	0	109.9	W47 Y68 H331 N388 A389 M392	W47-N386 VanDerWaalsContact CD1-CA 3.47Å; W47-N386 VanDerWaalsContact CD1-N 3.3Å; W47-N386 HydrophobicContact CD2-CB 4.08Å; W47-N386 HydrophobicContact CG-CB 3.96Å; Y68-N386 VanDerWaalsContact CD1-ND2 3.3Å; Y68-N386 WeakPolarHBondContact CD1-ND2 3.39Å; Y68-N386 WeakPolarHBondContact CE1-ND2 3.46Å; H331-N386 PolarHBondContact NE2-O 3.18Å; N386-N388 PolarHBondContact O-N 2.83Å; N386-N388 VanDerWaalsContact O-N 3.11Å; N386-N388 WeakPolarHBondContact OD1-CA 3.49Å; N386-N388 WeakPolarHBondContact OD1-CB 3.3Å; N386-N388 PolarHBondContact OD1-N 3.45Å; N386-A389 HydrophobicContact CB-CB 4.25Å; N386-A389 PolarHBondContact O-N 3.19Å; N386-A389 PolarHBondContact OD1-N 3.4Å; N386-M392 HydrophobicContact CB-CB 4Å; N386-M392 HydrophobicContact CB-CG 4.2Å; N386-M392 WeakPolarHBondContact CB-O 3.35Å; N386-M392 HydrophobicContact CB-SD 4.49Å; N386-M392 PolarHBondContact N-O 3.19Å; N386-M392 PolarHBondContact ND2-SD 3.14Å
387	S	95	Very high	96.6	Very high	55 Å²	55	21.4 Å²	21.4	39%	0.385	12%	0.118	S	C	.	.	T	Hydrogen-bonded Turn	trans	-67.1	-8.8	176.8	54.1	0	0	0	0	114.4	H331 W385	H331-S387 PolarHBondContact CE1-O 2.96Å; H331-S387 VanDerWaalsContact CE1-O 3.23Å; W385-S387 PolarHBondContact O-N 3.39Å
388	N	94.6	Very high	96.7	Very high	47 Å²	47	21.8 Å²	21.8	25%	0.251	12%	0.118	S	C	.	.	T	Hydrogen-bonded Turn	trans	-116.5	-0.2	-175.1	-55.1	-93.4	0	0	0	113.1	G50 F51 Y68 N386	G50-N388 WeakPolarHBondContact CA-OD1 3.33Å; G50-N388 VanDerWaalsContact N-CG 3.3Å; G50-N388 PolarHBondContact N-ND2 2.92Å; G50-N388 PolarHBondContact N-OD1 2.99Å; F51-N388 HydrophobicContact CD1-CB 4.01Å; Y68-N388 HydrophobicContact CD1-CB 4.49Å; Y68-N388 HydrophobicContact CE1-CB 3.9Å; N386-N388 PolarHBondContact O-N 2.83Å; N386-N388 VanDerWaalsContact O-N 3.11Å; N386-N388 WeakPolarHBondContact OD1-CA 3.49Å; N386-N388 WeakPolarHBondContact OD1-CB 3.3Å; N386-N388 PolarHBondContact OD1-N 3.45Å
389	A	93	Very high	96.5	Very high	11 Å²	11	23.1 Å²	23.1	9%	0.091	12%	0.123	C	C	.	.	S	Bend	trans	-142.3	124.5	176.2	0	0	0	0	0	109.2	Y68 H331 N386 M392	Y68-A389 HydrophobicContact CE1-CB 4.42Å; H331-A389 PolarHBondContact NE2-O 3.18Å; N386-A389 HydrophobicContact CB-CB 4.25Å; N386-A389 PolarHBondContact O-N 3.19Å; N386-A389 PolarHBondContact OD1-N 3.4Å; A389-M392 HydrophobicContact CB-CB 3.78Å; A389-M392 HydrophobicContact CB-CE 3.97Å; A389-M392 HydrophobicContact CB-CG 4.45Å; A389-M392 HydrophobicContact CB-SD 3.92Å
390	L	92.6	Very high	96.4	Very high	105 Å²	105	21 Å²	21	55%	0.55	12%	0.116	S	C	.	.	T	Hydrogen-bonded Turn	trans	-60.8	139.8	177.3	-65	174.3	0	0	0	109.8	H331 M392 Q406	H331-L390 HydrophobicContact CB-CD2 3.66Å; H331-L390 VanDerWaalsContact CG-CD2 3.48Å; L390-M392 PolarHBondContact O-N 3.03Å; L390-Q406 PolarHBondContact O-NE2 3.35Å
391	W	95	Very high	96.2	Very high	31 Å²	31	22.4 Å²	22.4	12%	0.117	12%	0.124	C	C	.	.	T	Hydrogen-bonded Turn	trans	57	11.7	174	-59.9	108.8	0	0	0	116.5	I335 I347 L370 W385 Q406 L407 H412	I335-W391 HydrophobicContact CB-CH2 4.48Å; I335-W391 HydrophobicContact CD1-CH2 3.76Å; I335-W391 HydrophobicContact CD1-CZ3 4.47Å; I335-W391 HydrophobicContact CG1-CH2 3.68Å; I335-W391 HydrophobicContact CG1-CZ2 4.43Å; I335-W391 HydrophobicContact CG1-CZ3 4.36Å; I335-W391 HydrophobicContact CG2-CH2 4.12Å; I335-W391 HydrophobicContact CG2-CZ3 3.93Å; I347-W391 HydrophobicContact CG2-CZ3 4.15Å; L370-W391 HydrophobicContact CD2-CH2 3.76Å; L370-W391 HydrophobicContact CD2-CZ3 3.97Å; W385-W391 HydrophobicContact CH2-CE3 4.08Å; W385-W391 HydrophobicContact CH2-CZ3 4.13Å; W385-W391 AromaticContact CZ3-CE3 3.97Å; W385-W391 HydrophobicContact CZ3-CE3 3.97Å; W385-W391 HydrophobicContact CZ3-CZ3 4.46Å; W391-Q406 HydrophobicContact CB-CG 4.33Å; W391-Q406 WeakPolarHBondContact O-CA 3.47Å; W391-L407 HydrophobicContact CB-CB 4.41Å; W391-L407 HydrophobicContact CB-CD1 4.36Å; W391-L407 HydrophobicContact CE3-CD1 4.16Å; W391-L407 HydrophobicContact CE3-CD2 4.13Å; W391-L407 HydrophobicContact CZ3-CD2 4.35Å; W391-L407 PolarHBondContact O-N 3.32Å; W391-H412 AromaticContact CD1-CD2 3.63Å; W391-H412 AromaticContact CD1-CE1 3.38Å; W391-H412 AromaticContact CD1-CG 3.92Å; W391-H412 AromaticContact CD1-ND1 3.76Å; W391-H412 AromaticContact CD1-NE2 3.24Å; W391-H412 HydrophobicContact CD2-CB 4.38Å; W391-H412 AromaticContact CD2-CD2 3.77Å; W391-H412 AromaticContact CD2-CG 3.99Å; W391-H412 AromaticContact CE2-CD2 3.78Å; W391-H412 AromaticContact CE2-CG 3.52Å; W391-H412 AromaticContact CE2-ND1 3.81Å; W391-H412 AromaticContact CG-CD2 3.69Å; W391-H412 AromaticContact CG-NE2 3.62Å; W391-H412 HydrophobicContact CH2-CB 3.91Å; W391-H412 HydrophobicContact CZ2-CB 3.55Å; W391-H412 AromaticContact CZ2-CG 3.82Å; W391-H412 HydrophobicContact CZ3-CB 4.48Å; W391-H412 AromaticContact NE1-CD2 3.68Å; W391-H412 AromaticContact NE1-CE1 3.4Å; W391-H412 PolarHBondContact NE1-CE1 3.27Å; W391-H412 AromaticContact NE1-CG 3.48Å; W391-H412 AromaticContact NE1-ND1 3.29Å; W391-H412 PolarHBondContact NE1-ND1 3.12Å; W391-H412 AromaticContact NE1-NE2 3.61Å
392	M	95.6	Very high	96.2	Very high	6 Å²	6	21.8 Å²	21.8	3%	0.03	12%	0.12	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-94	124.7	178.3	-176.2	177.7	-66.1	0	0	110.3	W47 Y68 M90 N386 A389 L390 I404 W405 Q406	W47-M392 HydrophobicContact CZ2-CG 4.37Å; W47-M392 HydrophobicContact CZ2-SD 4.4Å; Y68-M392 HydrophobicContact CE2-SD 4.39Å; M90-M392 HydrophobicContact CE-CE 3.86Å; M90-M392 HydrophobicContact CG-CE 4.25Å; M90-M392 HydrophobicContact CG-SD 4.41Å; N386-M392 HydrophobicContact CB-CB 4Å; N386-M392 HydrophobicContact CB-CG 4.2Å; N386-M392 WeakPolarHBondContact CB-O 3.35Å; N386-M392 HydrophobicContact CB-SD 4.49Å; N386-M392 PolarHBondContact N-O 3.19Å; N386-M392 PolarHBondContact ND2-SD 3.14Å; A389-M392 HydrophobicContact CB-CB 3.78Å; A389-M392 HydrophobicContact CB-CE 3.97Å; A389-M392 HydrophobicContact CB-CG 4.45Å; A389-M392 HydrophobicContact CB-SD 3.92Å; L390-M392 PolarHBondContact O-N 3.03Å; M392-I404 HydrophobicContact CG-CG2 4.28Å; M392-I404 HydrophobicContact SD-CG2 4.43Å; M392-W405 CarbonylContact C-O 3.46Å; M392-W405 WeakPolarHBondContact CA-O 3.23Å; M392-Q406 HydrophobicContact CB-CB 4.47Å
393	I	98.2	Very high	96	Very high	0 Å²	0	21.9 Å²	21.9	0%	0	12%	0.12	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-125.8	146	-178	-62.1	175.8	0	0	0	108.7	I347 F383 S384 W385 I404 W405	I347-I393 HydrophobicContact CD1-CD1 3.6Å; F383-I393 HydrophobicContact CB-CG2 4.27Å; F383-I393 HydrophobicContact CD2-CG2 3.98Å; S384-I393 WeakPolarHBondContact O-CA 3.35Å; W385-I393 HydrophobicContact CD2-CD1 3.89Å; W385-I393 HydrophobicContact CD2-CG1 3.87Å; W385-I393 HydrophobicContact CE3-CD1 3.62Å; W385-I393 HydrophobicContact CE3-CG1 3.46Å; W385-I393 VanDerWaalsContact CE3-CG1 3.46Å; W385-I393 HydrophobicContact CH2-CD1 3.57Å; W385-I393 HydrophobicContact CH2-CG1 4.36Å; W385-I393 HydrophobicContact CZ2-CD1 3.86Å; W385-I393 HydrophobicContact CZ3-CD1 3.44Å; W385-I393 VanDerWaalsContact CZ3-CD1 3.44Å; W385-I393 HydrophobicContact CZ3-CG1 3.74Å; I393-I404 WeakPolarHBondContact O-CA 3.47Å; I393-W405 HydrophobicContact CB-CD2 4.22Å; I393-W405 HydrophobicContact CB-CH2 4.18Å; I393-W405 HydrophobicContact CB-CZ2 3.74Å; I393-W405 HydrophobicContact CD1-CH2 3.57Å; I393-W405 HydrophobicContact CD1-CZ2 3.9Å; I393-W405 HydrophobicContact CD1-CZ3 4.09Å; I393-W405 HydrophobicContact CG1-CH2 4.38Å; I393-W405 HydrophobicContact CG1-CZ2 4.39Å; I393-W405 HydrophobicContact CG2-CH2 4.39Å; I393-W405 HydrophobicContact CG2-CZ2 3.63Å; I393-W405 PolarHBondContact N-O 3.05Å; I393-W405 PolarHBondContact O-N 3.12Å
394	C	97.9	Very high	95.9	Very high	0 Å²	0	21.9 Å²	21.9	0%	0	12%	0.12	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-113.1	141.8	161.7	63.3	0	0	0	0	109.8	V45 W47 F383 S384 L402 Q403 I404	V45-C394 HydrophobicContact CG2-CB 4.34Å; V45-C394 WeakPolarHBondContact CG2-SG 3.42Å; W47-C394 VanDerWaalsContact CD1-SG 3.56Å; W47-C394 VanDerWaalsContact CE2-SG 3.57Å; W47-C394 HydrophobicContact CZ2-CB 3.69Å; W47-C394 PolarHBondContact NE1-SG 3.28Å; F383-C394 CarbonylContact C-O 3.52Å; F383-C394 WeakPolarHBondContact CA-O 3.48Å; F383-C394 VanDerWaalsContact CB-O 3.27Å; F383-C394 WeakPolarHBondContact CB-O 3.38Å; S384-C394 PolarHBondContact N-O 3.47Å; S384-C394 PolarHBondContact O-N 2.85Å; C394-L402 HydrophobicContact CB-CD1 4.23Å; C394-Q403 CarbonylContact C-O 3.55Å; C394-Q403 VanDerWaalsContact CA-O 3.24Å; C394-Q403 WeakPolarHBondContact CA-O 3.47Å; C394-I404 HydrophobicContact CB-CG1 3.91Å
395	S	98.5	Very high	95.7	Very high	0 Å²	0	21.6 Å²	21.6	0%	0	12%	0.118	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-138.9	140.2	178.3	50.2	0	0	0	0	109.9	H376 Q403 W405	H376-S395 PolarHBondContact NE2-OG 2.86Å; S395-Q403 PolarHBondContact N-O 2.98Å; S395-Q403 PolarHBondContact O-N 3.04Å; S395-W405 PolarHBondContact OG-NE1 3.17Å; S395-W405 VanDerWaalsContact OG-NE1 3.17Å
396	V	98	Very high	95.5	Very high	0 Å²	0	23.3 Å²	23.3	0%	0	13%	0.127	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-114.9	147.9	178.5	-71	0	0	0	0	109.6	S42 V45 L72 V380 P381 D382 V401 L402	S42-V396 WeakPolarHBondContact O-CG2 3.45Å; V45-V396 HydrophobicContact CB-CG1 3.87Å; V45-V396 HydrophobicContact CB-CG2 4.04Å; V45-V396 HydrophobicContact CG1-CG1 4.2Å; V45-V396 HydrophobicContact CG1-CG2 3.89Å; V45-V396 HydrophobicContact CG2-CG1 4.26Å; L72-V396 HydrophobicContact CD2-CG1 3.87Å; V380-V396 WeakPolarHBondContact CA-O 3.46Å; V380-V396 WeakPolarHBondContact CG1-O 3.39Å; P381-V396 VanDerWaalsContact CD-O 3.3Å; P381-V396 WeakPolarHBondContact CD-O 2.94Å; P381-V396 HydrophobicContact CG-CG2 4.42Å; D382-V396 HydrophobicContact CB-CG2 4.27Å; D382-V396 WeakPolarHBondContact O-CG2 3.31Å; D382-V396 PolarHBondContact O-N 2.87Å; V396-V401 WeakPolarHBondContact CA-O 3.47Å; V396-L402 HydrophobicContact CG1-CB 4.33Å; V396-L402 HydrophobicContact CG1-CD1 3.63Å
397	A	97.3	Very high	95.3	Very high	0 Å²	0	23.3 Å²	23.3	0%	0	13%	0.127	C	C	.	.			trans	-130.2	161.2	179	0	0	0	0	0	113.3	H376 K379 D399 N400 V401	H376-A397 HydrophobicContact CB-CB 4.17Å; H376-A397 VanDerWaalsContact ND1-CB 3.28Å; H376-A397 WeakPolarHBondContact ND1-CB 3.35Å; K379-A397 WeakPolarHBondContact O-CA 3.43Å; K379-A397 WeakPolarHBondContact O-CB 3.38Å; A397-D399 WeakPolarHBondContact CB-OD1 3.32Å; A397-D399 PolarHBondContact O-N 2.69Å; A397-N400 PolarHBondContact O-N 2.97Å; A397-V401 PolarHBondContact N-O 2.81Å
398	D	95.3	Very high	95.1	Very high	63 Å²	63	20.8 Å²	20.8	34%	0.337	11%	0.109	S	C	.	.	T	Hydrogen-bonded Turn	trans	-65.3	-15.5	-179.7	-77.5	-4.7	0	0	0	113.7	A378 K379 N400	A378-D398 HydrophobicContact CB-CB 4.12Å; K379-D398 WeakPolarHBondContact CD-OD2 3.47Å; K379-D398 PolarHBondContact O-N 3.42Å; K379-D398 VanDerWaalsContact O-N 3.09Å; D398-N400 PolarHBondContact O-N 3.05Å
399	D	92.8	Very high	94.8	Very high	49 Å²	49	22.1 Å²	22.1	26%	0.262	12%	0.116	S	C	.	.	T	Hydrogen-bonded Turn	trans	-86.4	17.2	175	59.8	5.4	0	0	0	113.3	T377 A378 A397 V401	T377-D399 PolarHBondContact N-OD2 3.26Å; T377-D399 PolarHBondContact OG1-OD2 2.93Å; A378-D399 HydrophobicContact CB-CB 3.67Å; A378-D399 PolarHBondContact N-OD2 3.13Å; A397-D399 WeakPolarHBondContact CB-OD1 3.32Å; A397-D399 PolarHBondContact O-N 2.69Å; D399-V401 PolarHBondContact O-N 3.18Å; D399-V401 WeakPolarHBondContact OD1-CB 3.35Å; D399-V401 WeakPolarHBondContact OD1-CG2 3.22Å; D399-V401 PolarHBondContact OD1-N 3.13Å
400	N	94.2	Very high	94.6	Very high	46 Å²	46	28.4 Å²	28.4	25%	0.246	14%	0.139	C	C	.	.	S	Bend	trans	67.2	18.4	-179.4	-50.2	8.4	0	0	0	113.9	L38 E39 P41 A397 D398	L38-N400 HydrophobicContact CB-CB 4.47Å; L38-N400 WeakPolarHBondContact CB-O 3.18Å; L38-N400 PolarHBondContact N-O 3.48Å; L38-N400 WeakPolarHBondContact O-CB 3.21Å; E39-N400 PolarHBondContact O-ND2 3.32Å; P41-N400 WeakPolarHBondContact CB-OD1 3.37Å; P41-N400 WeakPolarHBondContact CD-OD1 3.06Å; A397-N400 PolarHBondContact O-N 2.97Å; D398-N400 PolarHBondContact O-N 3.05Å
401	V	94.7	Very high	94.3	Very high	28 Å²	28	25.3 Å²	25.3	17%	0.17	12%	0.122	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-95.6	125.5	178.7	-175.2	0	0	0	0	110.8	M35 H376 V396 A397 D399 Q403	M35-V401 HydrophobicContact CE-CG1 4.39Å; H376-V401 PolarHBondContact CE1-O 3.26Å; V396-V401 WeakPolarHBondContact CA-O 3.47Å; A397-V401 PolarHBondContact N-O 2.81Å; D399-V401 PolarHBondContact O-N 3.18Å; D399-V401 WeakPolarHBondContact OD1-CB 3.35Å; D399-V401 WeakPolarHBondContact OD1-CG2 3.22Å; D399-V401 PolarHBondContact OD1-N 3.13Å; V401-Q403 HydrophobicContact CG1-CG 3.72Å
402	L	95.6	Very high	93.7	Very high	1 Å²	1	25.4 Å²	25.4	1%	0.005	12%	0.124	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-97.7	125.2	161.9	169.3	65.9	0	0	0	108.5	H36 L38 V45 M70 L72 L115 C394 V396 I404	H36-L402 PolarHBondContact N-O 2.83Å; H36-L402 PolarHBondContact O-N 3.15Å; L38-L402 HydrophobicContact CD1-CB 4.06Å; L38-L402 HydrophobicContact CD2-CB 4.46Å; L38-L402 HydrophobicContact CG-CB 4.14Å; V45-L402 HydrophobicContact CG2-CD1 4.41Å; M70-L402 HydrophobicContact SD-CD1 4.34Å; M70-L402 HydrophobicContact SD-CD2 3.89Å; L72-L402 HydrophobicContact CD1-CD2 4.16Å; L115-L402 HydrophobicContact CD1-CD2 3.33Å; C394-L402 HydrophobicContact CB-CD1 4.23Å; V396-L402 HydrophobicContact CG1-CB 4.33Å; V396-L402 HydrophobicContact CG1-CD1 3.63Å; L402-I404 HydrophobicContact CD1-CG1 4.44Å; L402-I404 HydrophobicContact CG-CG1 4.44Å
403	Q	95.5	Very high	92.9	Very high	1 Å²	1	28.2 Å²	28.2	1%	0.005	14%	0.139	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-112.9	137.6	171.5	-59.2	-169.4	26.3	0	0	110	L34 M35 H373 G375 H376 C394 S395 V401	L34-Q403 CarbonylContact O-C 3.58Å; L34-Q403 VanDerWaalsContact O-CA 3.31Å; L34-Q403 WeakPolarHBondContact O-CA 3.44Å; M35-Q403 HydrophobicContact CG-CG 4.17Å; H373-Q403 PolarHBondContact CE1-OE1 3.23Å; H373-Q403 PolarHBondContact NE2-OE1 3.29Å; H373-Q403 VanDerWaalsContact NE2-OE1 3.17Å; G375-Q403 PolarHBondContact O-NE2 3.18Å; H376-Q403 VanDerWaalsContact CE1-CG 3.45Å; H376-Q403 WeakPolarHBondContact CE1-CG 3.49Å; H376-Q403 PolarHBondContact ND1-NE2 3.08Å; C394-Q403 CarbonylContact C-O 3.55Å; C394-Q403 VanDerWaalsContact CA-O 3.24Å; C394-Q403 WeakPolarHBondContact CA-O 3.47Å; S395-Q403 PolarHBondContact N-O 2.98Å; S395-Q403 PolarHBondContact O-N 3.04Å; V401-Q403 HydrophobicContact CG1-CG 3.72Å
404	I	95.4	Very high	91.2	Very high	0 Å²	0	35.8 Å²	35.8	0%	0	18%	0.175	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-123.9	121.8	171.2	-59.4	168.9	0	0	0	106.5	L33 L34 W47 M70 V88 M90 M392 I393 C394 L402	L33-I404 CarbonylContact C-O 3.5Å; L33-I404 WeakPolarHBondContact CA-O 3.45Å; L34-I404 HydrophobicContact CB-CB 4.18Å; L34-I404 HydrophobicContact CD2-CD1 3.9Å; L34-I404 PolarHBondContact N-O 3.2Å; L34-I404 PolarHBondContact O-N 3.48Å; W47-I404 HydrophobicContact CH2-CD1 3.98Å; W47-I404 HydrophobicContact CH2-CG1 4.35Å; W47-I404 HydrophobicContact CH2-CG2 3.98Å; W47-I404 HydrophobicContact CZ2-CD1 4.42Å; W47-I404 HydrophobicContact CZ2-CG1 4.29Å; W47-I404 HydrophobicContact CZ2-CG2 3.78Å; M70-I404 HydrophobicContact CE-CD1 3.4Å; M70-I404 VanDerWaalsContact CE-CD1 3.4Å; M70-I404 HydrophobicContact CE-CG1 4.3Å; M70-I404 HydrophobicContact SD-CD1 4.42Å; V88-I404 HydrophobicContact CB-CD1 4.04Å; V88-I404 HydrophobicContact CG1-CD1 3.91Å; V88-I404 HydrophobicContact CG2-CD1 3.88Å; M90-I404 HydrophobicContact CE-CG2 4.5Å; M90-I404 HydrophobicContact SD-CG2 4.47Å; M392-I404 HydrophobicContact CG-CG2 4.28Å; M392-I404 HydrophobicContact SD-CG2 4.43Å; I393-I404 WeakPolarHBondContact O-CA 3.47Å; C394-I404 HydrophobicContact CB-CG1 3.91Å; L402-I404 HydrophobicContact CD1-CG1 4.44Å; L402-I404 HydrophobicContact CG-CG1 4.44Å
405	W	95	Very high	88.9	Confident	0 Å²	0	44.1 Å²	44.1	0%	0	21%	0.214	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-144.1	150.9	-170	49.8	-83.3	0	0	0	110.9	Y30 A32 L33 V345 I347 F371 H373 M392 I393 S395 L407	Y30-W405 HydrophobicContact CD1-CB 3.97Å; Y30-W405 HydrophobicContact CD1-CE3 4.14Å; Y30-W405 HydrophobicContact CE1-CB 4.18Å; Y30-W405 HydrophobicContact CE1-CD2 4.25Å; Y30-W405 AromaticContact CE1-CE3 3.77Å; Y30-W405 HydrophobicContact CE1-CE3 3.77Å; Y30-W405 HydrophobicContact CE1-CG 4.43Å; Y30-W405 HydrophobicContact CE1-CZ3 4.45Å; A32-W405 CarbonylContact O-C 3.55Å; A32-W405 WeakPolarHBondContact O-CA 3.41Å; L33-W405 HydrophobicContact CD1-CB 3.83Å; V345-W405 HydrophobicContact CB-CZ2 4.09Å; V345-W405 HydrophobicContact CG1-CH2 4.35Å; V345-W405 HydrophobicContact CG1-CZ2 4.06Å; I347-W405 HydrophobicContact CD1-CH2 4.1Å; I347-W405 HydrophobicContact CG1-CH2 4.31Å; F371-W405 HydrophobicContact CD1-CZ3 4.07Å; F371-W405 HydrophobicContact CE1-CE3 4.42Å; F371-W405 AromaticContact CE1-CZ3 3.87Å; F371-W405 HydrophobicContact CE1-CZ3 3.87Å; H373-W405 HydrophobicContact CB-CH2 3.67Å; H373-W405 HydrophobicContact CB-CZ2 3.71Å; H373-W405 HydrophobicContact CB-CZ3 4.12Å; H373-W405 AromaticContact CD2-CE2 3.77Å; H373-W405 AromaticContact CD2-CZ2 3.9Å; H373-W405 AromaticContact CD2-NE1 3.67Å; H373-W405 AromaticContact CE1-CD1 3.58Å; H373-W405 AromaticContact CE1-CE2 3.99Å; H373-W405 AromaticContact CE1-CG 3.85Å; H373-W405 AromaticContact CE1-NE1 3.69Å; H373-W405 AromaticContact CG-CE2 3.64Å; H373-W405 AromaticContact CG-CZ2 3.69Å; H373-W405 AromaticContact CG-NE1 3.96Å; H373-W405 AromaticContact ND1-CD2 3.8Å; H373-W405 AromaticContact ND1-CE2 3.8Å; H373-W405 AromaticContact ND1-CG 3.99Å; H373-W405 AromaticContact ND1-NE1 3.98Å; H373-W405 AromaticContact NE2-CD1 3.74Å; H373-W405 AromaticContact NE2-CE2 3.98Å; H373-W405 AromaticContact NE2-NE1 3.48Å; H373-W405 PolarHBondContact NE2-NE1 2.92Å; M392-W405 CarbonylContact C-O 3.46Å; M392-W405 WeakPolarHBondContact CA-O 3.23Å; I393-W405 HydrophobicContact CB-CD2 4.22Å; I393-W405 HydrophobicContact CB-CH2 4.18Å; I393-W405 HydrophobicContact CB-CZ2 3.74Å; I393-W405 HydrophobicContact CD1-CH2 3.57Å; I393-W405 HydrophobicContact CD1-CZ2 3.9Å; I393-W405 HydrophobicContact CD1-CZ3 4.09Å; I393-W405 HydrophobicContact CG1-CH2 4.38Å; I393-W405 HydrophobicContact CG1-CZ2 4.39Å; I393-W405 HydrophobicContact CG2-CH2 4.39Å; I393-W405 HydrophobicContact CG2-CZ2 3.63Å; I393-W405 PolarHBondContact N-O 3.05Å; I393-W405 PolarHBondContact O-N 3.12Å; S395-W405 PolarHBondContact OG-NE1 3.17Å; S395-W405 VanDerWaalsContact OG-NE1 3.17Å; W405-L407 HydrophobicContact CE3-CD1 3.83Å; W405-L407 HydrophobicContact CH2-CD1 4.33Å; W405-L407 HydrophobicContact CZ3-CD1 3.32Å; W405-L407 HydrophobicContact CZ3-CG 4.1Å
406	Q	93.7	Very high	85.9	Confident	46 Å²	46	55.5 Å²	55.5	22%	0.215	27%	0.274	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-127.9	125.1	175.5	-175.2	177.1	-10.7	0	0	107.8	Y30 D31 A32 L390 W391 M392	Y30-Q406 CarbonylContact C-O 3.03Å; Y30-Q406 VanDerWaalsContact CA-O 3.25Å; Y30-Q406 WeakPolarHBondContact CA-O 3.49Å; Y30-Q406 WeakPolarHBondContact CB-O 3.38Å; D31-Q406 PolarHBondContact N-O 3.19Å; A32-Q406 HydrophobicContact CB-CB 4.08Å; A32-Q406 PolarHBondContact O-N 3.16Å; L390-Q406 PolarHBondContact O-NE2 3.35Å; W391-Q406 HydrophobicContact CB-CG 4.33Å; W391-Q406 WeakPolarHBondContact O-CA 3.47Å; M392-Q406 HydrophobicContact CB-CB 4.47Å
407	L	92.9	Very high	85.3	Confident	0 Å²	0	58.3 Å²	58.3	0%	0	29%	0.288	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-58.1	146.6	178	-73	77.2	0	0	0	109.9	F371 W391 W405 I411	F371-L407 HydrophobicContact CB-CD2 3.78Å; F371-L407 HydrophobicContact CD1-CD2 4.07Å; F371-L407 HydrophobicContact CD1-CG 4.13Å; F371-L407 HydrophobicContact CD2-CD2 4.34Å; F371-L407 HydrophobicContact CE1-CG 4.4Å; F371-L407 HydrophobicContact CG-CD2 3.81Å; F371-L407 HydrophobicContact CG-CG 4.26Å; W391-L407 HydrophobicContact CB-CB 4.41Å; W391-L407 HydrophobicContact CB-CD1 4.36Å; W391-L407 HydrophobicContact CE3-CD1 4.16Å; W391-L407 HydrophobicContact CE3-CD2 4.13Å; W391-L407 HydrophobicContact CZ3-CD2 4.35Å; W391-L407 PolarHBondContact O-N 3.32Å; W405-L407 HydrophobicContact CE3-CD1 3.83Å; W405-L407 HydrophobicContact CH2-CD1 4.33Å; W405-L407 HydrophobicContact CZ3-CD1 3.32Å; W405-L407 HydrophobicContact CZ3-CG 4.1Å; L407-I411 HydrophobicContact CD2-CG2 4.44Å
408	A	91	Very high	84.6	Confident	2 Å²	2	61.3 Å²	61.3	2%	0.017	30%	0.303	C	S	.	.			trans	-66.4	137	172.8	0	0	0	0	0	111.2	L28 L29 D31 Y410 I411	L28-A408 WeakPolarHBondContact O-CB 3.31Å; L29-A408 PolarHBondContact O-N 3.35Å; D31-A408 WeakPolarHBondContact OD2-CA 3.47Å; A408-Y410 VanDerWaalsContact C-N 3.25Å; A408-Y410 HydrophobicContact CB-CD1 3.79Å; A408-Y410 HydrophobicContact CB-CE1 3.49Å; A408-Y410 VanDerWaalsContact CB-CE1 3.49Å; A408-Y410 PolarHBondContact O-N 2.72Å; A408-Y410 VanDerWaalsContact O-N 3.13Å; A408-I411 HydrophobicContact CB-CD1 4.01Å; A408-I411 HydrophobicContact CB-CG1 4.25Å; A408-I411 WeakPolarHBondContact O-CB 3.45Å; A408-I411 PolarHBondContact O-N 3.4Å
409	D	88.4	Confident	84.1	Confident	75 Å²	75	61.2 Å²	61.2	40%	0.401	30%	0.301	S	S	.	.	H	α-helix	trans	-51.8	-39.5	-173.6	-160.9	54.1	0	0	0	114.3	D31 I411 H412 N413	D31-D409 PolarHBondContact OD2-N 3.04Å; D409-I411 PolarHBondContact O-N 2.92Å; D409-H412 PolarHBondContact O-N 2.69Å; D409-H412 PolarHBondContact O-ND1 2.64Å; D409-H412 IonicContact OD1-CE1 3.26Å; D409-H412 PolarHBondContact OD1-CE1 3.26Å; D409-H412 VanDerWaalsContact OD1-CE1 3.26Å; D409-H412 IonicContact OD1-NE2 3.94Å; D409-N413 VanDerWaalsContact O-CB 3.31Å; D409-N413 WeakPolarHBondContact O-CB 3.4Å; D409-N413 PolarHBondContact O-N 3.35Å; D409-N413 PolarHBondContact OD1-ND2 2.91Å; D409-N413 PolarHBondContact OD2-ND2 2.76Å
410	Y	88.3	Confident	83.5	Confident	144 Å²	144	61.9 Å²	61.9	57%	0.565	30%	0.304	S	S	*	.	H	α-helix	trans	-70.7	-14.9	-178.1	73.1	-96.1	0	0	0	114.1	L28 A408	L28-Y410 WeakPolarHBondContact O-CE1 3.48Å; L28-Y410 PolarHBondContact O-OH 3.01Å; A408-Y410 VanDerWaalsContact C-N 3.25Å; A408-Y410 HydrophobicContact CB-CD1 3.79Å; A408-Y410 HydrophobicContact CB-CE1 3.49Å; A408-Y410 VanDerWaalsContact CB-CE1 3.49Å; A408-Y410 PolarHBondContact O-N 2.72Å; A408-Y410 VanDerWaalsContact O-N 3.13Å
411	I	86.7	Confident	82.9	Confident	39 Å²	39	62.9 Å²	62.9	20%	0.2	31%	0.307	C	S	.	.	H	α-helix	trans	-76.7	-33.4	179.2	-63.2	176.5	0	0	0	110.1	F371 L407 A408 D409	F371-I411 HydrophobicContact CD2-CD1 3.93Å; F371-I411 HydrophobicContact CD2-CG2 4.12Å; F371-I411 HydrophobicContact CE2-CD1 3.76Å; L407-I411 HydrophobicContact CD2-CG2 4.44Å; A408-I411 HydrophobicContact CB-CD1 4.01Å; A408-I411 HydrophobicContact CB-CG1 4.25Å; A408-I411 WeakPolarHBondContact O-CB 3.45Å; A408-I411 PolarHBondContact O-N 3.4Å; D409-I411 PolarHBondContact O-N 2.92Å
412	H	82	Confident	82.1	Confident	33 Å²	33	65.3 Å²	65.3	15%	0.153	32%	0.316	C	S	.	.	H	α-helix	trans	-116	-14	-173.3	61.7	65.9	0	0	0	114.2	W391 D409	W391-H412 AromaticContact CD1-CD2 3.63Å; W391-H412 AromaticContact CD1-CE1 3.38Å; W391-H412 AromaticContact CD1-CG 3.92Å; W391-H412 AromaticContact CD1-ND1 3.76Å; W391-H412 AromaticContact CD1-NE2 3.24Å; W391-H412 HydrophobicContact CD2-CB 4.38Å; W391-H412 AromaticContact CD2-CD2 3.77Å; W391-H412 AromaticContact CD2-CG 3.99Å; W391-H412 AromaticContact CE2-CD2 3.78Å; W391-H412 AromaticContact CE2-CG 3.52Å; W391-H412 AromaticContact CE2-ND1 3.81Å; W391-H412 AromaticContact CG-CD2 3.69Å; W391-H412 AromaticContact CG-NE2 3.62Å; W391-H412 HydrophobicContact CH2-CB 3.91Å; W391-H412 HydrophobicContact CZ2-CB 3.55Å; W391-H412 AromaticContact CZ2-CG 3.82Å; W391-H412 HydrophobicContact CZ3-CB 4.48Å; W391-H412 AromaticContact NE1-CD2 3.68Å; W391-H412 AromaticContact NE1-CE1 3.4Å; W391-H412 PolarHBondContact NE1-CE1 3.27Å; W391-H412 AromaticContact NE1-CG 3.48Å; W391-H412 AromaticContact NE1-ND1 3.29Å; W391-H412 PolarHBondContact NE1-ND1 3.12Å; W391-H412 AromaticContact NE1-NE2 3.61Å; D409-H412 PolarHBondContact O-N 2.69Å; D409-H412 PolarHBondContact O-ND1 2.64Å; D409-H412 IonicContact OD1-CE1 3.26Å; D409-H412 PolarHBondContact OD1-CE1 3.26Å; D409-H412 VanDerWaalsContact OD1-CE1 3.26Å; D409-H412 IonicContact OD1-NE2 3.94Å
413	N	80.2	Confident	81.1	Confident	66 Å²	66	69.9 Å²	69.9	35%	0.353	34%	0.339	S	S	.	.			trans	-99	108.7	170.7	-65.4	-10.6	0	0	0	109	D409 E415	D409-N413 VanDerWaalsContact O-CB 3.31Å; D409-N413 WeakPolarHBondContact O-CB 3.4Å; D409-N413 PolarHBondContact O-N 3.35Å; D409-N413 PolarHBondContact OD1-ND2 2.91Å; D409-N413 PolarHBondContact OD2-ND2 2.76Å; N413-E415 PolarHBondContact O-N 3.02Å
414	E	62.4	Low	80	Confident	158 Å²	158	75.2 Å²	75.2	74%	0.738	36%	0.364	S	S	*	.			trans	-74.1	81.1	160.9	-66.7	178.3	-178.3	0	0	107.8	K352	K352-E414 IonicContact NZ-OE1 2.76Å; K352-E414 PolarHBondContact NZ-OE1 3.47Å
415	E	50	Low	78.7	Confident	175 Å²	175	81.4 Å²	81.4	82%	0.818	40%	0.395	S	S	*	.			trans	-84.3	114	155.6	-73	-165.1	163.5	0	0	107.7	N413	N413-E415 PolarHBondContact O-N 3.02Å
416	D	34.1	Very low	77.2	Confident	239 Å²	239	88.8 Å²	88.8	100%	1.278	43%	0.431	S	S	*	.			trans	-46	0	175.2	-73.5	-47.8	0	0	0	115.3

Retrieved 416 of 416 residues in 1466 ms (Link to these results)

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