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Bis(monoacylglycero)phosphate synthase CLN5

Catalyzes the synthesis of bis(monoacylglycero)phosphate (BMP) via transacylation of 2 molecules of lysophosphatidylglycerol (LPG). BMP also known as lysobisphosphatidic acid plays a key role in the formation of intraluminal vesicles and in maintaining intracellular cholesterol homeostasis. Can use only LPG as the exclusive lysophospholipid acyl donor for base exchange and displays BMP synthase activity towards various LPGs (LPG 14:0, LPG 16:0, LPG 18:0, LPG 18:1) with a higher preference for longer chain lengths. Plays a role in influencing the retrograde trafficking of lysosomal sorting receptors SORT1 and IGF2R from the endosomes to the trans-Golgi network by controlling the recruitment of retromer complex to the endosomal membrane. Regulates the localization and activation of RAB7A which is required to recruit the retromer complex to the endosomal membrane. Exhibits palmitoyl protein thioesterase (S-depalmitoylation) activity in vitro and most likely plays a role in protein S-depalmitoylation.

AlphaFold DB , UniProt , Accession A0A087XYB9, Species POEFO (Poecilia formosa, Amazon molly), Gene n/a, Length 337 aa.

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(Predicted Aligned Error values between residue pairs)

Download Structure PDB PAE Table

Site	Residue	pLDDT	pLDDT confidence	pLDDT₁₀	pLDDT10 confidence	SASA	SASA [Å²]	SASA₁₀	SASA10 [Å²]	RSA	RSA unformatted	RSA₁₀	RSA10 unformatted	Surface	Surface10 (not used)	Disorder (not used)	Disorder	Sec. str.	Secondary structure	Isomer	Phi (φ)	Psi (ψ)	Omega (ω)	Chi 1 (χ₁)	Chi 2 (χ₂)	Chi 3 (χ₃)	Chi 4 (χ₄)	Chi 5 (χ₅)	Tau (τ)	Contacts (colored by PAE)	Contact details
1	V	42.2	Very low	51	Low	197 Å²	197	149.3 Å²	149.3	100%	1.194	78%	0.783	S	S	*	*				0	107.7	0	177.8	0	0	0	0	106.3
2	Y	32.5	Very low	52.7	Low	232 Å²	232	144.7 Å²	144.7	91%	0.91	76%	0.755	S	S	*	*			trans	-63	131.9	-173.7	-95.6	-102.2	0	0	0	110.4	S4	Y2-S4 PolarHBondContact O-N 3.18Å
3	L	40.3	Very low	54.2	Low	174 Å²	174	138.5 Å²	138.5	91%	0.911	73%	0.726	S	S	*	*			trans	-67.9	107.7	165.4	-75.8	162.3	0	0	0	107.3	G5	L3-G5 PolarHBondContact O-N 3.18Å
4	S	40.7	Very low	55.5	Low	118 Å²	118	133.7 Å²	133.7	83%	0.825	71%	0.709	S	S	*	*			trans	-61.6	112.9	173.7	-177.8	0	0	0	0	108.8	Y2 C6	Y2-S4 PolarHBondContact O-N 3.18Å; S4-C6 PolarHBondContact O-N 2.84Å
5	G	45.3	Very low	56.8	Low	61 Å²	61	128.5 Å²	128.5	63%	0.629	68%	0.684	S	S	*	*			trans	-61.4	131.8	170	0	0	0	0	0	109.8	L3 D7	L3-G5 PolarHBondContact O-N 3.18Å; G5-D7 PolarHBondContact O-N 3.38Å
6	C	49.3	Very low	57.9	Low	119 Å²	119	123.9 Å²	123.9	80%	0.804	67%	0.665	S	S	*	*			trans	-76.1	97.9	169.9	-145.8	0	0	0	0	106.8	S4 M8	S4-C6 PolarHBondContact O-N 2.84Å; C6-M8 VanDerWaalsContact C-N 3.27Å; C6-M8 PolarHBondContact O-N 2.8Å
7	D	51.8	Low	58.8	Low	169 Å²	169	122.4 Å²	122.4	90%	0.904	66%	0.656	S	S	*	*			trans	-72.6	84.6	173.8	-105.8	-23.3	0	0	0	108.7	G5	G5-D7 PolarHBondContact O-N 3.38Å
8	M	52.6	Low	59.6	Low	87 Å²	87	124 Å²	124	43%	0.429	66%	0.656	S	S	.	*			trans	-75.3	125.8	170.7	-70.5	177.5	62.6	0	0	109	C6 E12 V13 C16	C6-M8 VanDerWaalsContact C-N 3.27Å; C6-M8 PolarHBondContact O-N 2.8Å; M8-E12 HydrophobicContact CB-CB 4.37Å; M8-E12 HydrophobicContact CE-CB 4.05Å; M8-V13 HydrophobicContact CB-CG2 3.86Å; M8-V13 HydrophobicContact CE-CG2 4.22Å; M8-C16 HydrophobicContact CE-CB 4.36Å
9	S	71.4	Confident	60.3	Low	55 Å²	55	122.5 Å²	122.5	39%	0.385	65%	0.648	S	S	.	*			trans	-61.2	152.2	173.4	67.2	0	0	0	0	110.8	W11 E12 V13	S9-W11 PolarHBondContact O-N 3.5Å; S9-E12 WeakPolarHBondContact CB-OE2 3.34Å; S9-E12 PolarHBondContact N-OE2 3.01Å; S9-E12 PolarHBondContact O-N 3.11Å; S9-E12 VanDerWaalsContact OG-CD 3.28Å; S9-E12 WeakPolarHBondContact OG-CG 3.47Å; S9-E12 PolarHBondContact OG-N 2.93Å; S9-E12 PolarHBondContact OG-OE2 2.94Å; S9-V13 PolarHBondContact O-N 3.07Å
10	R	67.2	Low	60.7	Low	232 Å²	232	121.6 Å²	121.6	88%	0.875	64%	0.642	S	S	*	*	H	α-helix	trans	-51.9	-30.4	176.1	-84.9	-176.5	169.4	-167.4	-2.9	113	C14	R10-C14 WeakPolarHBondContact O-CB 3.47Å; R10-C14 PolarHBondContact O-N 3.17Å; R10-C14 VanDerWaalsContact O-N 3.11Å
11	W	68	Low	61.1	Low	198 Å²	198	120.7 Å²	120.7	75%	0.75	64%	0.638	S	S	*	*	H	α-helix	trans	-67.4	-46.6	175.3	178.4	-101.7	0	0	0	112.2	S9 V13 C14 V15	S9-W11 PolarHBondContact O-N 3.5Å; W11-V13 PolarHBondContact O-N 3.29Å; W11-C14 PolarHBondContact O-N 2.86Å; W11-V15 HydrophobicContact CD2-CG2 4.42Å; W11-V15 HydrophobicContact CZ2-CG2 4.36Å; W11-V15 VanDerWaalsContact O-CG2 3.31Å; W11-V15 WeakPolarHBondContact O-CG2 3.44Å; W11-V15 PolarHBondContact O-N 3.49Å
12	E	71.4	Confident	62	Low	94 Å²	94	114 Å²	114	44%	0.439	60%	0.6	S	S	.	*	H	α-helix	trans	-65.4	-39.2	178.7	-70.8	161.9	148.3	0	0	111.8	M8 S9 V15 C16	M8-E12 HydrophobicContact CB-CB 4.37Å; M8-E12 HydrophobicContact CE-CB 4.05Å; S9-E12 WeakPolarHBondContact CB-OE2 3.34Å; S9-E12 PolarHBondContact N-OE2 3.01Å; S9-E12 PolarHBondContact O-N 3.11Å; S9-E12 VanDerWaalsContact OG-CD 3.28Å; S9-E12 WeakPolarHBondContact OG-CG 3.47Å; S9-E12 PolarHBondContact OG-N 2.93Å; S9-E12 PolarHBondContact OG-OE2 2.94Å; E12-V15 PolarHBondContact O-N 3.33Å; E12-C16 WeakPolarHBondContact O-CB 3.31Å; E12-C16 PolarHBondContact O-N 3.24Å; E12-C16 PolarHBondContact O-SG 3.44Å; E12-C16 VanDerWaalsContact O-SG 3.33Å
13	V	71.8	Confident	63.2	Low	64 Å²	64	108 Å²	108	39%	0.388	58%	0.583	S	S	.	*	H	α-helix	trans	-62.5	-43.8	173.7	178.5	0	0	0	0	111	M8 S9 W11 C16 L17	M8-V13 HydrophobicContact CB-CG2 3.86Å; M8-V13 HydrophobicContact CE-CG2 4.22Å; S9-V13 PolarHBondContact O-N 3.07Å; W11-V13 PolarHBondContact O-N 3.29Å; V13-C16 PolarHBondContact O-N 2.96Å; V13-L17 HydrophobicContact CG1-CD1 4.19Å; V13-L17 WeakPolarHBondContact O-CB 3.36Å; V13-L17 PolarHBondContact O-N 2.89Å
14	C	72.7	Confident	63.9	Low	72 Å²	72	105.8 Å²	105.8	49%	0.486	57%	0.567	S	S	.	*	H	α-helix	trans	-64.7	-37.9	175.9	-85.2	0	0	0	0	112.8	R10 W11 K18	R10-C14 WeakPolarHBondContact O-CB 3.47Å; R10-C14 PolarHBondContact O-N 3.17Å; R10-C14 VanDerWaalsContact O-N 3.11Å; W11-C14 PolarHBondContact O-N 2.86Å; C14-K18 WeakPolarHBondContact O-CB 3.39Å; C14-K18 VanDerWaalsContact O-CG 3.26Å; C14-K18 WeakPolarHBondContact O-CG 3.5Å; C14-K18 PolarHBondContact O-N 2.88Å
15	V	75	Confident	64.5	Low	55 Å²	55	103.9 Å²	103.9	33%	0.333	55%	0.551	S	S	.	*	H	α-helix	trans	-67.9	-44.6	176.7	169.7	0	0	0	0	110.6	W11 E12 K18 L19	W11-V15 HydrophobicContact CD2-CG2 4.42Å; W11-V15 HydrophobicContact CZ2-CG2 4.36Å; W11-V15 VanDerWaalsContact O-CG2 3.31Å; W11-V15 WeakPolarHBondContact O-CG2 3.44Å; W11-V15 PolarHBondContact O-N 3.49Å; E12-V15 PolarHBondContact O-N 3.33Å; V15-K18 PolarHBondContact O-N 3.35Å; V15-L19 HydrophobicContact CG1-CD1 3.84Å; V15-L19 WeakPolarHBondContact O-CB 3.26Å; V15-L19 PolarHBondContact O-N 3.35Å
16	C	73.9	Confident	64.9	Low	55 Å²	55	104.8 Å²	104.8	37%	0.372	54%	0.544	S	S	.	.	H	α-helix	trans	-62.6	-42	175.2	-72.5	0	0	0	0	112.3	M8 E12 V13 L19 L20	M8-C16 HydrophobicContact CE-CB 4.36Å; E12-C16 WeakPolarHBondContact O-CB 3.31Å; E12-C16 PolarHBondContact O-N 3.24Å; E12-C16 PolarHBondContact O-SG 3.44Å; E12-C16 VanDerWaalsContact O-SG 3.33Å; V13-C16 PolarHBondContact O-N 2.96Å; C16-L19 PolarHBondContact O-N 3.49Å; C16-L20 WeakPolarHBondContact O-CB 3.4Å; C16-L20 WeakPolarHBondContact O-CD1 3.38Å; C16-L20 WeakPolarHBondContact O-CG 3.41Å; C16-L20 PolarHBondContact O-N 2.84Å
17	L	72.9	Confident	64.9	Low	98 Å²	98	102 Å²	102	51%	0.513	53%	0.53	S	S	.	.	H	α-helix	trans	-64.1	-42.9	175.5	-118.7	110	0	0	0	111.5	V13 L19 L20 L21	V13-L17 HydrophobicContact CG1-CD1 4.19Å; V13-L17 WeakPolarHBondContact O-CB 3.36Å; V13-L17 PolarHBondContact O-N 2.89Å; L17-L19 VanDerWaalsContact C-N 3.33Å; L17-L19 PolarHBondContact O-N 2.89Å; L17-L20 PolarHBondContact O-N 3.3Å; L17-L21 HydrophobicContact CD2-CD1 4.25Å; L17-L21 VanDerWaalsContact O-CB 3.29Å; L17-L21 WeakPolarHBondContact O-CB 3.39Å; L17-L21 WeakPolarHBondContact O-CD1 3.3Å; L17-L21 VanDerWaalsContact O-CG 3.23Å; L17-L21 WeakPolarHBondContact O-CG 3.28Å; L17-L21 PolarHBondContact O-N 2.9Å
18	K	74	Confident	64.7	Low	152 Å²	152	100.6 Å²	100.6	66%	0.661	52%	0.518	S	S	*	.	H	α-helix	trans	-64	-38.6	176.4	-76.5	-179.6	-179.6	-171.6	0	111.9	C14 V15 S22	C14-K18 WeakPolarHBondContact O-CB 3.39Å; C14-K18 VanDerWaalsContact O-CG 3.26Å; C14-K18 WeakPolarHBondContact O-CG 3.5Å; C14-K18 PolarHBondContact O-N 2.88Å; V15-K18 PolarHBondContact O-N 3.35Å; K18-S22 WeakPolarHBondContact O-CB 3.41Å; K18-S22 PolarHBondContact O-N 3.5Å; K18-S22 PolarHBondContact O-OG 2.87Å
19	L	72.3	Confident	64.3	Low	96 Å²	96	102.1 Å²	102.1	50%	0.503	53%	0.527	S	S	.	.	H	α-helix	trans	-66.2	-42.1	174	-92	154	0	0	0	112.6	V15 C16 L17 S22 L23	V15-L19 HydrophobicContact CG1-CD1 3.84Å; V15-L19 WeakPolarHBondContact O-CB 3.26Å; V15-L19 PolarHBondContact O-N 3.35Å; C16-L19 PolarHBondContact O-N 3.49Å; L17-L19 VanDerWaalsContact C-N 3.33Å; L17-L19 PolarHBondContact O-N 2.89Å; L19-S22 WeakPolarHBondContact CA-OG 3.23Å; L19-S22 PolarHBondContact O-N 3.01Å; L19-S22 PolarHBondContact O-OG 3.38Å; L19-S22 VanDerWaalsContact O-OG 3.1Å; L19-L23 VanDerWaalsContact O-CB 3.3Å; L19-L23 WeakPolarHBondContact O-CB 3.34Å; L19-L23 WeakPolarHBondContact O-CD1 3.29Å; L19-L23 VanDerWaalsContact O-CG 3.28Å; L19-L23 WeakPolarHBondContact O-CG 3.39Å; L19-L23 PolarHBondContact O-N 3.47Å
20	L	69.7	Low	62.8	Low	103 Å²	103	109.2 Å²	109.2	54%	0.539	55%	0.545	S	S	.	.	H	α-helix	trans	-67.2	-38.8	176.5	-81.7	159.4	0	0	0	112.1	C16 L17 L23 H24	C16-L20 WeakPolarHBondContact O-CB 3.4Å; C16-L20 WeakPolarHBondContact O-CD1 3.38Å; C16-L20 WeakPolarHBondContact O-CG 3.41Å; C16-L20 PolarHBondContact O-N 2.84Å; L17-L20 PolarHBondContact O-N 3.3Å; L20-L23 PolarHBondContact O-N 2.86Å; L20-H24 PolarHBondContact O-N 2.86Å; L20-H24 PolarHBondContact O-ND1 3.26Å
21	L	68.1	Low	61.6	Low	104 Å²	104	101.2 Å²	101.2	55%	0.545	53%	0.528	S	S	.	.	H	α-helix	trans	-69	-41.2	175	-75	164	0	0	0	111.4	L17 H24 V25	L17-L21 HydrophobicContact CD2-CD1 4.25Å; L17-L21 VanDerWaalsContact O-CB 3.29Å; L17-L21 WeakPolarHBondContact O-CB 3.39Å; L17-L21 WeakPolarHBondContact O-CD1 3.3Å; L17-L21 VanDerWaalsContact O-CG 3.23Å; L17-L21 WeakPolarHBondContact O-CG 3.28Å; L17-L21 PolarHBondContact O-N 2.9Å; L21-H24 PolarHBondContact O-N 3.09Å; L21-V25 WeakPolarHBondContact O-CG2 3.48Å; L21-V25 PolarHBondContact O-N 3.07Å; L21-V25 VanDerWaalsContact O-N 3.09Å
22	S	60.7	Low	60.6	Low	57 Å²	57	99 Å²	99	40%	0.399	53%	0.531	S	S	.	.	H	α-helix	trans	-70.8	-31.2	174.8	53.3	0	0	0	0	112.6	K18 L19 H24 V25 V26	K18-S22 WeakPolarHBondContact O-CB 3.41Å; K18-S22 PolarHBondContact O-N 3.5Å; K18-S22 PolarHBondContact O-OG 2.87Å; L19-S22 WeakPolarHBondContact CA-OG 3.23Å; L19-S22 PolarHBondContact O-N 3.01Å; L19-S22 PolarHBondContact O-OG 3.38Å; L19-S22 VanDerWaalsContact O-OG 3.1Å; S22-H24 VanDerWaalsContact C-N 3.35Å; S22-V25 PolarHBondContact O-N 2.87Å; S22-V26 WeakPolarHBondContact O-CB 3.43Å; S22-V26 WeakPolarHBondContact O-CG2 3.43Å; S22-V26 PolarHBondContact O-N 3.05Å
23	L	58.9	Low	59.6	Low	105 Å²	105	97.8 Å²	97.8	55%	0.55	55%	0.545	S	S	.	.	H	α-helix	trans	-64	-35.9	169.3	-82.3	159.9	0	0	0	112.5	L19 L20 A27	L19-L23 VanDerWaalsContact O-CB 3.3Å; L19-L23 WeakPolarHBondContact O-CB 3.34Å; L19-L23 WeakPolarHBondContact O-CD1 3.29Å; L19-L23 VanDerWaalsContact O-CG 3.28Å; L19-L23 WeakPolarHBondContact O-CG 3.39Å; L19-L23 PolarHBondContact O-N 3.47Å; L20-L23 PolarHBondContact O-N 2.86Å; L23-A27 VanDerWaalsContact O-CB 3.23Å; L23-A27 WeakPolarHBondContact O-CB 3.23Å; L23-A27 PolarHBondContact O-N 2.77Å
24	H	53.2	Low	59.1	Low	127 Å²	127	105.3 Å²	105.3	59%	0.588	57%	0.566	S	S	*	*	H	α-helix	trans	-67.7	-41.6	173.3	-86	66.5	0	0	0	112.2	L20 L21 S22 A27 Q28	L20-H24 PolarHBondContact O-N 2.86Å; L20-H24 PolarHBondContact O-ND1 3.26Å; L21-H24 PolarHBondContact O-N 3.09Å; S22-H24 VanDerWaalsContact C-N 3.35Å; H24-A27 PolarHBondContact O-N 2.9Å; H24-Q28 WeakPolarHBondContact O-CG 3.22Å; H24-Q28 PolarHBondContact O-N 3.36Å
25	V	53.8	Low	59.3	Low	78 Å²	78	106.3 Å²	106.3	47%	0.473	56%	0.564	S	S	.	*	H	α-helix	trans	-66.3	-39.8	176.3	177.2	0	0	0	0	111.3	L21 S22 Q28 L29	L21-V25 WeakPolarHBondContact O-CG2 3.48Å; L21-V25 PolarHBondContact O-N 3.07Å; L21-V25 VanDerWaalsContact O-N 3.09Å; S22-V25 PolarHBondContact O-N 2.87Å; V25-Q28 PolarHBondContact O-N 3.37Å; V25-L29 HydrophobicContact CG1-CD1 3.99Å; V25-L29 WeakPolarHBondContact O-CB 3.44Å; V25-L29 WeakPolarHBondContact O-CG 3.45Å; V25-L29 PolarHBondContact O-N 3.1Å
26	V	53.3	Low	60	Low	80 Å²	80	111.3 Å²	111.3	49%	0.485	58%	0.583	S	S	.	*	H	α-helix	trans	-69.7	-33.3	175.4	174.4	0	0	0	0	112	S22 R30	S22-V26 WeakPolarHBondContact O-CB 3.43Å; S22-V26 WeakPolarHBondContact O-CG2 3.43Å; S22-V26 PolarHBondContact O-N 3.05Å; V26-R30 PolarHBondContact O-N 3.33Å
27	A	51.2	Low	61	Low	62 Å²	62	111.4 Å²	111.4	51%	0.512	58%	0.576	S	S	.	*	H	α-helix	trans	-69.6	-35.6	173.6	0	0	0	0	0	112.4	L23 H24 R30 A31	L23-A27 VanDerWaalsContact O-CB 3.23Å; L23-A27 WeakPolarHBondContact O-CB 3.23Å; L23-A27 PolarHBondContact O-N 2.77Å; H24-A27 PolarHBondContact O-N 2.9Å; A27-R30 PolarHBondContact O-N 2.93Å; A27-A31 PolarHBondContact O-N 2.9Å
28	Q	46.3	Very low	62.1	Low	139 Å²	139	109.4 Å²	109.4	65%	0.65	57%	0.569	S	S	*	*	H	α-helix	trans	-70.2	-38.6	172.8	-75.4	178	-34.2	0	0	112	H24 V25 R30 A31	H24-Q28 WeakPolarHBondContact O-CG 3.22Å; H24-Q28 PolarHBondContact O-N 3.36Å; V25-Q28 PolarHBondContact O-N 3.37Å; Q28-R30 VanDerWaalsContact C-N 3.31Å; Q28-R30 PolarHBondContact O-N 3.48Å; Q28-A31 WeakPolarHBondContact O-CB 3.42Å; Q28-A31 PolarHBondContact O-N 2.93Å
29	L	44.7	Very low	63.3	Low	119 Å²	119	102.7 Å²	102.7	62%	0.623	54%	0.54	S	S	*	.	H	α-helix	trans	-68.9	-24.6	174.1	-77.2	161	0	0	0	113.6	V25	V25-L29 HydrophobicContact CG1-CD1 3.99Å; V25-L29 WeakPolarHBondContact O-CB 3.44Å; V25-L29 WeakPolarHBondContact O-CG 3.45Å; V25-L29 PolarHBondContact O-N 3.1Å
30	R	40.4	Very low	64.4	Low	204 Å²	204	102.6 Å²	102.6	77%	0.77	55%	0.546	S	S	*	.	T	Hydrogen-bonded Turn	trans	-80.2	-14.6	172	-91.6	-174.6	174.5	179.6	-0.7	113.8	V26 A27 Q28 D32	V26-R30 PolarHBondContact O-N 3.33Å; A27-R30 PolarHBondContact O-N 2.93Å; Q28-R30 VanDerWaalsContact C-N 3.31Å; Q28-R30 PolarHBondContact O-N 3.48Å; R30-D32 VanDerWaalsContact C-N 3.3Å
31	A	42.3	Very low	65.8	Low	63 Å²	63	99.4 Å²	99.4	52%	0.521	53%	0.527	S	S	.	.	G	3₁₀ helix	trans	-75.8	-20.1	177.3	0	0	0	0	0	112.6	A27 Q28 G33	A27-A31 PolarHBondContact O-N 2.9Å; Q28-A31 WeakPolarHBondContact O-CB 3.42Å; Q28-A31 PolarHBondContact O-N 2.93Å; A31-G33 PolarHBondContact O-N 3.26Å
32	D	45.7	Very low	67.2	Low	151 Å²	151	99.5 Å²	99.5	81%	0.807	52%	0.52	S	S	*	.	G	3₁₀ helix	trans	-72.3	-2.5	174.6	-94.8	-15.1	0	0	0	114.3	R30	R30-D32 VanDerWaalsContact C-N 3.3Å
33	G	51.8	Low	68.9	Low	70 Å²	70	102 Å²	102	72%	0.722	52%	0.52	S	S	*	.	G	3₁₀ helix	trans	-106.3	5.5	-179.8	0	0	0	0	0	115.3	A31	A31-G33 PolarHBondContact O-N 3.26Å
34	R	60.9	Low	70.7	Confident	221 Å²	221	99.8 Å²	99.8	83%	0.834	51%	0.507	S	S	*	.	S	Bend	trans	-96.2	117.2	176.7	-80.8	-176	169.9	-178	-3.8	110	Q36	R34-Q36 PolarHBondContact O-N 3.09Å; R34-Q36 VanDerWaalsContact O-N 3.17Å
35	Q	76.8	Confident	72.7	Confident	94 Å²	94	101.6 Å²	101.6	44%	0.439	52%	0.521	S	S	.	.	P	Polyproline II helix	trans	-49	119.7	169.5	-174.5	66.1	38.3	0	0	109.4	W37	Q35-W37 HydrophobicContact CB-CZ2 4.39Å; Q35-W37 HydrophobicContact CG-CD2 4.11Å; Q35-W37 HydrophobicContact CG-CE3 4.29Å; Q35-W37 HydrophobicContact CG-CH2 3.7Å; Q35-W37 HydrophobicContact CG-CZ2 3.47Å; Q35-W37 VanDerWaalsContact CG-CZ2 3.47Å; Q35-W37 HydrophobicContact CG-CZ3 4.12Å
36	Q	89.4	Confident	74.7	Confident	159 Å²	159	104.9 Å²	104.9	74%	0.743	53%	0.531	S	S	*	.	P	Polyproline II helix	trans	-91.2	132.3	174.6	-172.6	172.6	3.6	0	0	108.8	R34 P38	R34-Q36 PolarHBondContact O-N 3.09Å; R34-Q36 VanDerWaalsContact O-N 3.17Å; Q36-P38 CarbonylContact O-C 3.48Å
37	W	94.8	Very high	76.6	Confident	57 Å²	57	103.7 Å²	103.7	22%	0.216	52%	0.518	C	S	.	.	S	Bend	trans	-106.9	141.7	177.1	-58.4	118.2	0	0	0	110.3	Q35 V39 T210 W212 F213 E253 P254 W318	Q35-W37 HydrophobicContact CB-CZ2 4.39Å; Q35-W37 HydrophobicContact CG-CD2 4.11Å; Q35-W37 HydrophobicContact CG-CE3 4.29Å; Q35-W37 HydrophobicContact CG-CH2 3.7Å; Q35-W37 HydrophobicContact CG-CZ2 3.47Å; Q35-W37 VanDerWaalsContact CG-CZ2 3.47Å; Q35-W37 HydrophobicContact CG-CZ3 4.12Å; W37-V39 HydrophobicContact CE3-CG2 3.7Å; W37-V39 HydrophobicContact CH2-CG2 4.46Å; W37-V39 HydrophobicContact CZ3-CG2 3.39Å; W37-T210 HydrophobicContact CB-CG2 4.09Å; W37-W212 HydrophobicContact CB-CE3 4.27Å; W37-W212 AromaticContact CD1-CE3 4Å; W37-W212 AromaticContact CD1-CZ3 3.61Å; W37-W212 AromaticContact CD2-CE3 3.47Å; W37-W212 HydrophobicContact CD2-CE3 3.47Å; W37-W212 VanDerWaalsContact CD2-CE3 3.47Å; W37-W212 AromaticContact CD2-CZ3 3.86Å; W37-W212 HydrophobicContact CD2-CZ3 3.86Å; W37-W212 AromaticContact CE2-CE3 3.7Å; W37-W212 AromaticContact CE2-CZ3 3.74Å; W37-W212 HydrophobicContact CE3-CB 4.25Å; W37-W212 AromaticContact CE3-CE3 3.8Å; W37-W212 HydrophobicContact CE3-CE3 3.8Å; W37-W212 AromaticContact CG-CE3 3.68Å; W37-W212 HydrophobicContact CG-CE3 3.68Å; W37-W212 AromaticContact CG-CZ3 3.77Å; W37-W212 HydrophobicContact CG-CZ3 3.77Å; W37-W212 HydrophobicContact CZ2-CE3 4.24Å; W37-W212 HydrophobicContact CZ2-CZ3 4.41Å; W37-W212 HydrophobicContact CZ3-CB 4.27Å; W37-W212 HydrophobicContact CZ3-CE3 4.3Å; W37-W212 AromaticContact NE1-CZ3 3.58Å; W37-F213 HydrophobicContact CZ3-CZ 4.37Å; W37-E253 HydrophobicContact CZ2-CG 3.62Å; W37-E253 PolarHBondContact NE1-OE1 3.19Å; W37-E253 VanDerWaalsContact NE1-OE1 3.1Å; W37-P254 HydrophobicContact CH2-CB 4.1Å; W37-P254 HydrophobicContact CH2-CG 4.13Å; W37-P254 HydrophobicContact CZ3-CG 4.32Å; W37-W318 HydrophobicContact CH2-CZ3 4.11Å
38	P	96.9	Very high	78.7	Confident	57 Å²	57	103.6 Å²	103.6	37%	0.37	51%	0.512	S	S	.	.	S	Bend	cis	-66.9	158.1	-9.9	30.1	-35.3	0	0	0	111.8	Q36 P40 V211 W212	Q36-P38 CarbonylContact O-C 3.48Å; P38-P40 WeakPolarHBondContact O-CD 3.47Å; P38-V211 VanDerWaalsContact CA-O 3.31Å; P38-V211 WeakPolarHBondContact CA-O 3.27Å; P38-V211 HydrophobicContact CB-CB 4.39Å; P38-V211 HydrophobicContact CB-CG1 4.18Å; P38-V211 WeakPolarHBondContact CB-O 3.3Å; P38-W212 CarbonylContact C-O 3.6Å; P38-W212 WeakPolarHBondContact CA-O 3.42Å
39	V	97.8	Very high	81.1	Confident	10 Å²	10	102.8 Å²	102.8	6%	0.061	52%	0.519	C	S	.	.	B	Isolated β-bridge	trans	-63.7	122.8	170.8	-173.5	0	0	0	0	108	W37 W212 F213 Y313 W318	W37-V39 HydrophobicContact CE3-CG2 3.7Å; W37-V39 HydrophobicContact CH2-CG2 4.46Å; W37-V39 HydrophobicContact CZ3-CG2 3.39Å; V39-W212 PolarHBondContact N-O 3.06Å; V39-F213 HydrophobicContact CB-CD1 3.75Å; V39-F213 HydrophobicContact CB-CE1 3.57Å; V39-F213 HydrophobicContact CG1-CE1 4.16Å; V39-F213 HydrophobicContact CG2-CD1 3.85Å; V39-F213 HydrophobicContact CG2-CE1 3.3Å; V39-F213 HydrophobicContact CG2-CZ 3.82Å; V39-Y313 HydrophobicContact CB-CE1 4.47Å; V39-Y313 HydrophobicContact CG1-CD1 4.42Å; V39-Y313 HydrophobicContact CG1-CE1 4.37Å; V39-W318 HydrophobicContact CG2-CH2 4.27Å; V39-W318 HydrophobicContact CG2-CZ2 4.39Å
40	P	96.8	Very high	83.5	Confident	95 Å²	95	99.6 Å²	99.6	62%	0.617	51%	0.509	S	S	*	.	P	Polyproline II helix	trans	-68.2	140.3	-178.8	27.1	-33.7	0	0	0	110.5	P38 R42 N314	P38-P40 WeakPolarHBondContact O-CD 3.47Å; P40-R42 PolarHBondContact O-N 3.19Å; P40-N314 PolarHBondContact O-ND2 3.22Å
41	Y	97.6	Very high	86.1	Confident	36 Å²	36	93.3 Å²	93.3	14%	0.141	49%	0.491	C	S	.	.	P	Polyproline II helix	trans	-59.3	124.1	169.9	-179.4	-83.1	0	0	0	110	R43 I194 Y195 Y216	Y41-R43 HydrophobicContact CD1-CG 4.25Å; Y41-R43 PolarHBondContact O-N 3.45Å; Y41-I194 PolarHBondContact OH-N 3.29Å; Y41-Y195 AromaticContact CD2-CE1 3.82Å; Y41-Y195 HydrophobicContact CD2-CE1 3.82Å; Y41-Y195 HydrophobicContact CD2-CE2 4.21Å; Y41-Y195 AromaticContact CD2-CZ 3.52Å; Y41-Y195 VanDerWaalsContact CD2-OH 3.27Å; Y41-Y195 WeakPolarHBondContact CD2-OH 3.25Å; Y41-Y195 HydrophobicContact CE1-CD1 4.37Å; Y41-Y195 AromaticContact CE1-CE1 3.97Å; Y41-Y195 HydrophobicContact CE1-CE1 3.97Å; Y41-Y195 AromaticContact CE2-CD1 3.68Å; Y41-Y195 HydrophobicContact CE2-CD1 3.68Å; Y41-Y195 HydrophobicContact CE2-CD2 4.08Å; Y41-Y195 AromaticContact CE2-CE1 3.17Å; Y41-Y195 HydrophobicContact CE2-CE1 3.17Å; Y41-Y195 AromaticContact CE2-CE2 3.64Å; Y41-Y195 HydrophobicContact CE2-CE2 3.64Å; Y41-Y195 HydrophobicContact CE2-CG 4.1Å; Y41-Y195 AromaticContact CE2-CZ 3.14Å; Y41-Y195 WeakPolarHBondContact CE2-OH 3.29Å; Y41-Y195 HydrophobicContact CG-CE1 4.47Å; Y41-Y195 AromaticContact CZ-CD1 3.47Å; Y41-Y195 VanDerWaalsContact CZ-CD1 3.47Å; Y41-Y195 AromaticContact CZ-CE1 3.27Å; Y41-Y195 AromaticContact CZ-CZ 3.8Å; Y41-Y195 WeakPolarHBondContact OH-CD1 3.25Å; Y41-Y195 WeakPolarHBondContact OH-CE1 3.26Å; Y41-Y195 PolarHBondContact OH-N 2.88Å; Y41-Y195 PolarHBondContact OH-O 3.3Å; Y41-Y216 AromaticContact CD1-CD2 3.99Å; Y41-Y216 HydrophobicContact CD1-CD2 3.99Å; Y41-Y216 AromaticContact CD1-CE2 3.83Å; Y41-Y216 HydrophobicContact CD1-CE2 3.83Å; Y41-Y216 HydrophobicContact CD2-CD1 4.4Å; Y41-Y216 AromaticContact CD2-CD2 3.4Å; Y41-Y216 HydrophobicContact CD2-CD2 3.4Å; Y41-Y216 HydrophobicContact CD2-CE2 4.11Å; Y41-Y216 AromaticContact CD2-CG 3.56Å; Y41-Y216 HydrophobicContact CD2-CG 3.56Å; Y41-Y216 HydrophobicContact CE1-CD2 4.13Å; Y41-Y216 HydrophobicContact CE1-CE1 4.34Å; Y41-Y216 AromaticContact CE1-CE2 3.89Å; Y41-Y216 HydrophobicContact CE1-CE2 3.89Å; Y41-Y216 HydrophobicContact CE1-CG 4.45Å; Y41-Y216 AromaticContact CE1-CZ 4Å; Y41-Y216 VanDerWaalsContact CE2-CB 3.44Å; Y41-Y216 AromaticContact CE2-CD1 3.67Å; Y41-Y216 HydrophobicContact CE2-CD1 3.67Å; Y41-Y216 AromaticContact CE2-CD2 3.51Å; Y41-Y216 HydrophobicContact CE2-CD2 3.51Å; Y41-Y216 HydrophobicContact CE2-CE1 4.26Å; Y41-Y216 HydrophobicContact CE2-CE2 4.11Å; Y41-Y216 AromaticContact CE2-CG 3.25Å; Y41-Y216 HydrophobicContact CE2-CG 3.25Å; Y41-Y216 AromaticContact CG-CD2 3.63Å; Y41-Y216 HydrophobicContact CG-CD2 3.63Å; Y41-Y216 AromaticContact CG-CE2 3.95Å; Y41-Y216 HydrophobicContact CG-CE2 3.95Å; Y41-Y216 HydrophobicContact CG-CG 4.25Å; Y41-Y216 AromaticContact CZ-CD1 3.75Å; Y41-Y216 AromaticContact CZ-CD2 3.89Å; Y41-Y216 AromaticContact CZ-CE1 3.89Å; Y41-Y216 AromaticContact CZ-CG 3.75Å
42	R	97.3	Very high	88.7	Confident	105 Å²	105	95.4 Å²	95.4	40%	0.396	50%	0.502	S	S	.	.	P	Polyproline II helix	trans	-78.1	120	179.1	-178.1	179.4	-69.2	162	0.7	109.1	P40 F44 N314 E316	P40-R42 PolarHBondContact O-N 3.19Å; R42-F44 HydrophobicContact CG-CE2 4.26Å; R42-F44 HydrophobicContact CG-CZ 4.24Å; R42-F44 VanDerWaalsContact O-CE2 3.3Å; R42-F44 WeakPolarHBondContact O-CE2 3.27Å; R42-N314 HydrophobicContact CB-CB 4.03Å; R42-N314 WeakPolarHBondContact CB-OD1 3.41Å; R42-N314 PolarHBondContact N-OD1 3.45Å; R42-N314 PolarHBondContact NH1-O 3.36Å; R42-E316 IonicContact CZ-OE1 3.71Å; R42-E316 IonicContact NH1-OE1 2.68Å; R42-E316 PolarHBondContact NH1-OE1 3.44Å; R42-E316 IonicContact NH2-OE1 3.9Å; R42-E316 PolarHBondContact NH2-OE1 3.38Å; R42-E316 IonicContact NH2-OE2 2.7Å
43	R	97.2	Very high	91	Very high	109 Å²	109	92 Å²	92	41%	0.411	48%	0.48	S	S	.	.	P	Polyproline II helix	trans	-88.8	159.8	169.4	-50.6	-158.4	106.5	-171.8	14	111	Y41 D189 T192 Y216	Y41-R43 HydrophobicContact CD1-CG 4.25Å; Y41-R43 PolarHBondContact O-N 3.45Å; R43-D189 IonicContact CZ-OD1 3.89Å; R43-D189 IonicContact NH1-OD1 3.29Å; R43-D189 IonicContact NH2-OD1 3.54Å; R43-D189 PolarHBondContact NH2-OD1 3.32Å; R43-D189 IonicContact NH2-OD2 3.09Å; R43-T192 WeakPolarHBondContact CA-O 3.18Å; R43-T192 PolarHBondContact NE-OG1 3.33Å; R43-T192 PolarHBondContact NH1-OG1 2.85Å; R43-Y216 PolarHBondContact NH2-OH 2.79Å; R43-Y216 VanDerWaalsContact NH2-OH 3.15Å
44	F	97	Very high	93.1	Very high	60 Å²	60	89.4 Å²	89.4	26%	0.263	45%	0.451	S	S	.	.			trans	-120.7	160.4	-178.3	-66.2	-97.4	0	0	0	110.3	R42 Q46 T192 I194 Y195 F315	R42-F44 HydrophobicContact CG-CE2 4.26Å; R42-F44 HydrophobicContact CG-CZ 4.24Å; R42-F44 VanDerWaalsContact O-CE2 3.3Å; R42-F44 WeakPolarHBondContact O-CE2 3.27Å; F44-Q46 VanDerWaalsContact C-N 3.27Å; F44-Q46 PolarHBondContact O-N 3.04Å; F44-T192 PolarHBondContact N-O 2.88Å; F44-T192 VanDerWaalsContact O-CA 3.3Å; F44-T192 WeakPolarHBondContact O-CA 3.38Å; F44-T192 VanDerWaalsContact O-CB 3.25Å; F44-T192 WeakPolarHBondContact O-CB 3.46Å; F44-T192 VanDerWaalsContact O-CG2 3.25Å; F44-T192 WeakPolarHBondContact O-CG2 3.46Å; F44-I194 HydrophobicContact CB-CD1 3.99Å; F44-I194 HydrophobicContact CB-CG2 4.47Å; F44-I194 HydrophobicContact CD1-CD1 4Å; F44-I194 HydrophobicContact CD2-CD1 3.42Å; F44-I194 VanDerWaalsContact CD2-CD1 3.42Å; F44-I194 HydrophobicContact CD2-CG1 3.51Å; F44-I194 HydrophobicContact CE1-CD1 4.4Å; F44-I194 HydrophobicContact CE2-CD1 3.89Å; F44-I194 HydrophobicContact CE2-CG1 3.97Å; F44-I194 HydrophobicContact CG-CD1 3.5Å; F44-I194 HydrophobicContact CG-CG1 4.08Å; F44-I194 HydrophobicContact CZ-CD1 4.37Å; F44-Y195 HydrophobicContact CE2-CD1 4.28Å; F44-Y195 HydrophobicContact CE2-CE1 4.42Å; F44-F315 HydrophobicContact CE1-CD2 4.39Å; F44-F315 HydrophobicContact CE1-CE2 4.2Å; F44-F315 HydrophobicContact CE2-CD2 4.11Å; F44-F315 AromaticContact CE2-CE2 3.54Å; F44-F315 HydrophobicContact CE2-CE2 3.54Å; F44-F315 HydrophobicContact CE2-CZ 4.48Å; F44-F315 AromaticContact CZ-CD2 3.46Å; F44-F315 HydrophobicContact CZ-CD2 3.46Å; F44-F315 VanDerWaalsContact CZ-CD2 3.46Å; F44-F315 AromaticContact CZ-CE2 3.23Å; F44-F315 HydrophobicContact CZ-CE2 3.23Å; F44-F315 HydrophobicContact CZ-CZ 4.18Å
45	D	95.7	Very high	94.6	Very high	165 Å²	165	86.5 Å²	86.5	88%	0.882	45%	0.446	S	S	*	.	S	Bend	trans	-69.1	-30.1	176.8	-62.1	-28.6	0	0	0	111.8
46	Q	94.3	Very high	95.4	Very high	146 Å²	146	83.8 Å²	83.8	68%	0.682	44%	0.44	S	S	*	.	S	Bend	trans	-159.7	158.6	178.3	62.8	-178.5	9.8	0	0	111.8	F44 E191	F44-Q46 VanDerWaalsContact C-N 3.27Å; F44-Q46 PolarHBondContact O-N 3.04Å; Q46-E191 CarbonylContact C-O 3.43Å; Q46-E191 VanDerWaalsContact C-O 3.23Å; Q46-E191 WeakPolarHBondContact CA-O 3.4Å
47	R	94.4	Very high	95.3	Very high	56 Å²	56	82.8 Å²	82.8	21%	0.211	44%	0.439	C	S	.	.	P	Polyproline II helix	trans	-76.7	122.6	172.2	-176.3	-179.2	-64	-83.6	0.1	111	G149 N190 E191 G193 I194	R47-G149 PolarHBondContact NH1-O 3.14Å; R47-G149 PolarHBondContact NH2-O 2.96Å; R47-N190 VanDerWaalsContact CZ-O 3.32Å; R47-N190 PolarHBondContact NE-O 3.11Å; R47-N190 VanDerWaalsContact NE-O 3.11Å; R47-N190 PolarHBondContact NH2-O 2.74Å; R47-N190 PolarHBondContact NH2-OD1 2.81Å; R47-E191 PolarHBondContact N-O 3.31Å; R47-G193 PolarHBondContact NH2-O 2.74Å; R47-I194 HydrophobicContact CB-CG2 3.84Å; R47-I194 HydrophobicContact CG-CB 4.42Å; R47-I194 HydrophobicContact CG-CG2 4.22Å; R47-I194 PolarHBondContact NH1-O 3.4Å
48	P	95.8	Very high	95.1	Very high	60 Å²	60	85 Å²	85	39%	0.39	45%	0.448	S	S	.	.	P	Polyproline II helix	trans	-70.6	150	172.1	30.3	-33.2	0	0	0	110.5	Q148 I194	P48-Q148 PolarHBondContact O-NE2 2.87Å; P48-I194 HydrophobicContact CG-CD1 4.31Å
49	P	95.1	Very high	94.9	Very high	122 Å²	122	86.7 Å²	86.7	79%	0.792	46%	0.459	S	S	*	.	P	Polyproline II helix	trans	-58.2	149.5	171.2	27.4	-34.6	0	0	0	110.4
50	A	94.9	Very high	94.7	Very high	52 Å²	52	89 Å²	89	43%	0.43	47%	0.468	S	S	.	.	P	Polyproline II helix	trans	-61.9	136.6	173.4	0	0	0	0	0	110.9	F126	A50-F126 HydrophobicContact CB-CE2 4.37Å; A50-F126 HydrophobicContact CB-CZ 3.61Å
51	D	96.6	Very high	94.6	Very high	71 Å²	71	85.4 Å²	85.4	38%	0.38	45%	0.446	S	S	.	.	P	Polyproline II helix	trans	-66.8	142.9	171.1	-169.4	-70.9	0	0	0	109.9	F53 C54 F144	D51-F53 PolarHBondContact O-N 2.9Å; D51-F53 VanDerWaalsContact O-N 3.1Å; D51-F53 VanDerWaalsContact OD1-CB 3.27Å; D51-F53 WeakPolarHBondContact OD1-CB 3.49Å; D51-F53 PolarHBondContact OD1-N 3.18Å; D51-C54 WeakPolarHBondContact O-CB 3.23Å; D51-C54 PolarHBondContact O-N 3.1Å; D51-F144 HydrophobicContact CB-CE1 4.38Å; D51-F144 HydrophobicContact CB-CZ 3.72Å
52	S	95.7	Very high	94.4	Very high	107 Å²	107	88.2 Å²	88.2	75%	0.748	47%	0.468	S	S	*	.	T	Hydrogen-bonded Turn	trans	-59.4	-21.3	178.9	53.1	0	0	0	0	114.3	C54	S52-C54 VanDerWaalsContact C-N 3.3Å
53	F	94.9	Very high	94.2	Very high	80 Å²	80	88.2 Å²	88.2	35%	0.351	48%	0.48	S	S	.	.	T	Hydrogen-bonded Turn	trans	-69.3	-29.7	173.2	179.3	-90.2	0	0	0	112.3	D51 E55 H135 R137 F144	D51-F53 PolarHBondContact O-N 2.9Å; D51-F53 VanDerWaalsContact O-N 3.1Å; D51-F53 VanDerWaalsContact OD1-CB 3.27Å; D51-F53 WeakPolarHBondContact OD1-CB 3.49Å; D51-F53 PolarHBondContact OD1-N 3.18Å; F53-E55 PolarHBondContact O-N 2.9Å; F53-H135 HydrophobicContact CE1-CB 3.73Å; F53-H135 AromaticContact CE1-CD2 3.76Å; F53-H135 AromaticContact CE1-CG 3.55Å; F53-H135 AromaticContact CE1-ND1 3.94Å; F53-H135 HydrophobicContact CZ-CB 3.95Å; F53-R137 HydrophobicContact CE2-CG 4.05Å; F53-R137 HydrophobicContact CZ-CG 4Å; F53-F144 HydrophobicContact CB-CE1 4.09Å; F53-F144 AromaticContact CD1-CD1 3.57Å; F53-F144 HydrophobicContact CD1-CD1 3.57Å; F53-F144 AromaticContact CD1-CE1 3.54Å; F53-F144 HydrophobicContact CD1-CE1 3.54Å; F53-F144 AromaticContact CE1-CD1 3.97Å; F53-F144 HydrophobicContact CE1-CD1 3.97Å; F53-F144 HydrophobicContact CE1-CE1 4.39Å; F53-F144 HydrophobicContact CG-CD1 4.35Å; F53-F144 HydrophobicContact CG-CE1 4.13Å
54	C	95.4	Very high	93.9	Very high	16 Å²	16	83.8 Å²	83.8	11%	0.108	47%	0.469	C	S	.	.			trans	-81.2	99.5	-179	-59.3	0	0	0	0	110	D51 S52 F126 C146	D51-C54 WeakPolarHBondContact O-CB 3.23Å; D51-C54 PolarHBondContact O-N 3.1Å; S52-C54 VanDerWaalsContact C-N 3.3Å; C54-F126 HydrophobicContact CB-CD1 3.96Å; C54-F126 HydrophobicContact CB-CD2 3.98Å; C54-F126 HydrophobicContact CB-CE1 3.72Å; C54-F126 HydrophobicContact CB-CE2 3.73Å; C54-F126 HydrophobicContact CB-CG 4.1Å; C54-F126 HydrophobicContact CB-CZ 3.61Å; C54-F126 WeakPolarHBondContact O-CE1 3.14Å; C54-C146 WeakPolarHBondContact CA-SG 3.46Å; C54-C146 HydrophobicContact CB-CB 3.76Å; C54-C146 WeakPolarHBondContact CB-SG 3.47Å; C54-C146 VanDerWaalsContact SG-CA 3.53Å; C54-C146 WeakPolarHBondContact SG-CB 3.35Å; C54-C146 CovalentContact SG-SG 2.04Å; C54-C146 PolarHBondContact SG-SG 2.98Å
55	E	93.3	Very high	93.4	Very high	159 Å²	159	84 Å²	84	74%	0.743	47%	0.473	S	S	*	.			trans	-114.3	134.4	176.9	-65.1	-175.1	176.1	0	0	110.6	F53	F53-E55 PolarHBondContact O-N 2.9Å
56	A	91.8	Very high	92.5	Very high	38 Å²	38	87.8 Å²	87.8	31%	0.314	47%	0.474	S	S	.	.			trans	-94.9	133.6	178.1	0	0	0	0	0	110	Y58 L125 F126	A56-Y58 VanDerWaalsContact C-N 3.32Å; A56-Y58 WeakPolarHBondContact CB-O 3.27Å; A56-L125 WeakPolarHBondContact CB-O 3.33Å; A56-F126 HydrophobicContact CB-CD1 4Å
57	L	88.9	Confident	91.7	Very high	137 Å²	137	85.9 Å²	85.9	72%	0.717	47%	0.469	S	S	*	.	S	Bend	trans	-66.8	-39.2	174.1	179.1	63.6	0	0	0	111.3
58	Y	89.7	Confident	90.9	Very high	104 Å²	104	84.5 Å²	84.5	41%	0.408	47%	0.472	S	S	.	.	S	Bend	trans	-111.6	132.7	170.9	-58.2	-76.4	0	0	0	108.7	A56 F60 W89 F91 Q127	A56-Y58 VanDerWaalsContact C-N 3.32Å; A56-Y58 WeakPolarHBondContact CB-O 3.27Å; Y58-F60 PolarHBondContact O-N 2.89Å; Y58-W89 HydrophobicContact CE2-CZ3 4.42Å; Y58-F91 HydrophobicContact CD2-CE2 4.44Å; Y58-F91 HydrophobicContact CD2-CZ 4.29Å; Y58-F91 HydrophobicContact CE1-CE2 4.33Å; Y58-F91 AromaticContact CE2-CE2 3.87Å; Y58-F91 HydrophobicContact CE2-CE2 3.87Å; Y58-F91 HydrophobicContact CE2-CZ 4.05Å; Y58-F91 AromaticContact CZ-CE2 3.8Å; Y58-Q127 PolarHBondContact O-NE2 3.44Å
59	P	92.7	Very high	90.4	Very high	92 Å²	92	88.1 Å²	88.1	60%	0.597	48%	0.478	S	S	*	.			trans	-61.9	135.8	-179.4	25.8	-34.2	0	0	0	110.8	P62	P59-P62 HydrophobicContact CG-CB 4.12Å
60	F	93.8	Very high	90.1	Very high	58 Å²	58	83.8 Å²	83.8	25%	0.254	45%	0.447	S	S	.	.	S	Bend	trans	-65	133.3	169.4	174	-98.6	0	0	0	110.2	Y58 Y123 L125 A150 C152	Y58-F60 PolarHBondContact O-N 2.89Å; F60-Y123 AromaticContact CD2-CD2 3.8Å; F60-Y123 HydrophobicContact CD2-CD2 3.8Å; F60-Y123 HydrophobicContact CD2-CE1 4.45Å; F60-Y123 AromaticContact CD2-CE2 3.33Å; F60-Y123 HydrophobicContact CD2-CE2 3.33Å; F60-Y123 AromaticContact CD2-CZ 3.72Å; F60-Y123 HydrophobicContact CE2-CD1 4.19Å; F60-Y123 AromaticContact CE2-CD2 3.86Å; F60-Y123 HydrophobicContact CE2-CD2 3.86Å; F60-Y123 HydrophobicContact CE2-CE1 4Å; F60-Y123 AromaticContact CE2-CE2 3.64Å; F60-Y123 HydrophobicContact CE2-CE2 3.64Å; F60-Y123 HydrophobicContact CE2-CG 4.13Å; F60-Y123 AromaticContact CE2-CZ 3.72Å; F60-Y123 HydrophobicContact CG-CE2 4.37Å; F60-L125 HydrophobicContact CB-CG 4.41Å; F60-L125 HydrophobicContact CD1-CD1 4.48Å; F60-L125 HydrophobicContact CD1-CG 4.25Å; F60-L125 HydrophobicContact CD2-CD1 4.15Å; F60-L125 HydrophobicContact CD2-CG 4.24Å; F60-L125 HydrophobicContact CE1-CD1 4.45Å; F60-L125 HydrophobicContact CE2-CD1 4.13Å; F60-L125 HydrophobicContact CG-CD1 4.35Å; F60-L125 HydrophobicContact CG-CG 4.03Å; F60-L125 HydrophobicContact CZ-CD1 4.28Å; F60-A150 HydrophobicContact CE1-CB 4.1Å; F60-A150 HydrophobicContact CE2-CB 4.43Å; F60-A150 HydrophobicContact CZ-CB 3.69Å; F60-A150 WeakPolarHBondContact CZ-O 3.17Å; F60-C152 HydrophobicContact CE2-CB 4.47Å; F60-C152 HydrophobicContact CZ-CB 4.03Å
61	C	94.2	Very high	90	Very high	21 Å²	21	83.5 Å²	83.5	14%	0.142	44%	0.44	C	S	.	.	S	Bend	trans	49.6	55.8	172.6	-157.3	0	0	0	0	114.5	T63 G64 Y123 C152	C61-T63 VanDerWaalsContact C-N 3.27Å; C61-T63 PolarHBondContact O-N 3.24Å; C61-T63 VanDerWaalsContact O-N 3.17Å; C61-G64 PolarHBondContact O-N 2.95Å; C61-G64 VanDerWaalsContact O-N 3.14Å; C61-G64 VanDerWaalsContact SG-CA 3.59Å; C61-Y123 VanDerWaalsContact CA-OH 3.27Å; C61-Y123 WeakPolarHBondContact CA-OH 3.33Å; C61-Y123 PolarHBondContact N-OH 2.99Å; C61-C152 WeakPolarHBondContact CA-SG 3.25Å; C61-C152 HydrophobicContact CB-CB 3.7Å; C61-C152 WeakPolarHBondContact CB-SG 3.35Å; C61-C152 WeakPolarHBondContact SG-CA 3.49Å; C61-C152 WeakPolarHBondContact SG-CB 3.41Å; C61-C152 CovalentContact SG-SG 2.03Å; C61-C152 PolarHBondContact SG-SG 3.33Å
62	P	93.9	Very high	89.9	Confident	95 Å²	95	85.3 Å²	85.3	62%	0.617	46%	0.459	S	S	*	.	T	Hydrogen-bonded Turn	trans	-63.3	-29.4	-167.2	25	-34.3	0	0	0	114.4	P59	P59-P62 HydrophobicContact CG-CB 4.12Å
63	T	93	Very high	89.9	Confident	104 Å²	104	80.8 Å²	80.8	64%	0.638	43%	0.426	S	S	*	.	T	Hydrogen-bonded Turn	trans	-108	4.1	-179.2	52.8	0	0	0	0	113	C61	C61-T63 VanDerWaalsContact C-N 3.27Å; C61-T63 PolarHBondContact O-N 3.24Å; C61-T63 VanDerWaalsContact O-N 3.17Å
64	G	91.4	Very high	90	Very high	17 Å²	17	85.1 Å²	85.1	18%	0.175	44%	0.44	C	S	.	.	S	Bend	trans	-79.2	167	179.5	0	0	0	0	0	113.9	C61 R66 F153	C61-G64 PolarHBondContact O-N 2.95Å; C61-G64 VanDerWaalsContact O-N 3.14Å; C61-G64 VanDerWaalsContact SG-CA 3.59Å; G64-R66 PolarHBondContact O-N 2.78Å; G64-F153 WeakPolarHBondContact CA-O 3.2Å
65	D	85.8	Confident	90.1	Very high	65 Å²	65	89.4 Å²	89.4	35%	0.348	46%	0.462	S	S	.	.			trans	-64.3	126.5	172.1	-174.7	-88.8	0	0	0	109.7	D67 G68 R69 F153	D65-D67 PolarHBondContact O-N 2.87Å; D65-D67 WeakPolarHBondContact OD1-CA 3.42Å; D65-D67 WeakPolarHBondContact OD1-CB 3.48Å; D65-D67 PolarHBondContact OD1-N 2.66Å; D65-G68 PolarHBondContact O-N 3.04Å; D65-G68 PolarHBondContact OD1-N 3.47Å; D65-R69 WeakPolarHBondContact CB-O 3.45Å; D65-R69 WeakPolarHBondContact OD1-CB 3.4Å; D65-R69 PolarHBondContact OD1-N 3.42Å; D65-R69 IonicContact OD1-NE 3.71Å; D65-F153 PolarHBondContact N-O 2.73Å
66	R	76.8	Confident	90.3	Very high	243 Å²	243	86.8 Å²	86.8	92%	0.917	46%	0.461	S	S	*	.	T	Hydrogen-bonded Turn	trans	-60.8	-29.1	-176.3	-71.1	-176.3	175	-175	-2.3	113.6	G64 G68	G64-R66 PolarHBondContact O-N 2.78Å; R66-G68 VanDerWaalsContact C-N 3.34Å
67	D	77.1	Confident	90.6	Very high	107 Å²	107	85.4 Å²	85.4	57%	0.572	45%	0.449	S	S	*	.	T	Hydrogen-bonded Turn	trans	-97.9	9.9	-179.9	-57.7	-37.9	0	0	0	110.9	D65 R69	D65-D67 PolarHBondContact O-N 2.87Å; D65-D67 WeakPolarHBondContact OD1-CA 3.42Å; D65-D67 WeakPolarHBondContact OD1-CB 3.48Å; D65-D67 PolarHBondContact OD1-N 2.66Å; D67-R69 HydrophobicContact CB-CG 3.92Å; D67-R69 PolarHBondContact O-N 3.18Å; D67-R69 IonicContact OD2-CZ 2.92Å; D67-R69 IonicContact OD2-NE 2.62Å; D67-R69 IonicContact OD2-NH1 3.94Å; D67-R69 IonicContact OD2-NH2 3.67Å; D67-R69 PolarHBondContact OD2-NH2 3.32Å
68	G	77.6	Confident	91.1	Very high	27 Å²	27	81.2 Å²	81.2	28%	0.278	43%	0.428	S	S	.	.			trans	60.5	26.5	-176.8	0	0	0	0	0	113	D65 R66 Q187	D65-G68 PolarHBondContact O-N 3.04Å; D65-G68 PolarHBondContact OD1-N 3.47Å; R66-G68 VanDerWaalsContact C-N 3.34Å; G68-Q187 PolarHBondContact O-NE2 3.27Å
69	R	85.1	Confident	91.5	Very high	135 Å²	135	76.2 Å²	76.2	51%	0.509	41%	0.409	S	S	.	.	P	Polyproline II helix	trans	-83.1	139.2	-177.2	-67.2	-178.8	-64.5	-154.9	-10.4	111.5	D65 D67	D65-R69 WeakPolarHBondContact CB-O 3.45Å; D65-R69 WeakPolarHBondContact OD1-CB 3.4Å; D65-R69 PolarHBondContact OD1-N 3.42Å; D65-R69 IonicContact OD1-NE 3.71Å; D67-R69 HydrophobicContact CB-CG 3.92Å; D67-R69 PolarHBondContact O-N 3.18Å; D67-R69 IonicContact OD2-CZ 2.92Å; D67-R69 IonicContact OD2-NE 2.62Å; D67-R69 IonicContact OD2-NH1 3.94Å; D67-R69 IonicContact OD2-NH2 3.67Å; D67-R69 PolarHBondContact OD2-NH2 3.32Å
70	F	90.6	Very high	91.8	Very high	32 Å²	32	72.5 Å²	72.5	14%	0.14	39%	0.385	C	S	.	.	P	Polyproline II helix	trans	-92.4	141.4	170.3	-69.9	-105.1	0	0	0	109.5	M120 F153 F179 A183 V186 Q187	F70-M120 HydrophobicContact CE1-CG 4.29Å; F70-M120 HydrophobicContact CE1-SD 3.44Å; F70-M120 WeakPolarHBondContact CE1-SD 3.4Å; F70-M120 HydrophobicContact CZ-CG 4.3Å; F70-M120 HydrophobicContact CZ-SD 3.54Å; F70-M120 VanDerWaalsContact CZ-SD 3.54Å; F70-F153 HydrophobicContact CD1-CB 4.43Å; F70-F153 HydrophobicContact CD1-CD1 4.15Å; F70-F153 AromaticContact CD1-CD2 3.44Å; F70-F153 HydrophobicContact CD1-CD2 3.44Å; F70-F153 VanDerWaalsContact CD1-CD2 3.44Å; F70-F153 HydrophobicContact CD1-CE1 4.26Å; F70-F153 AromaticContact CD1-CE2 3.5Å; F70-F153 HydrophobicContact CD1-CE2 3.5Å; F70-F153 AromaticContact CD1-CG 3.73Å; F70-F153 HydrophobicContact CD1-CG 3.73Å; F70-F153 AromaticContact CD1-CZ 3.91Å; F70-F153 HydrophobicContact CD1-CZ 3.91Å; F70-F153 HydrophobicContact CE1-CB 3.9Å; F70-F153 HydrophobicContact CE1-CD1 4.38Å; F70-F153 AromaticContact CE1-CD2 3.08Å; F70-F153 HydrophobicContact CE1-CD2 3.08Å; F70-F153 AromaticContact CE1-CE2 3.56Å; F70-F153 HydrophobicContact CE1-CE2 3.56Å; F70-F153 AromaticContact CE1-CG 3.53Å; F70-F153 HydrophobicContact CE1-CG 3.53Å; F70-F153 HydrophobicContact CE1-CZ 4.39Å; F70-F153 HydrophobicContact CE2-CB 4.36Å; F70-F153 HydrophobicContact CG-CD2 4.48Å; F70-F153 HydrophobicContact CG-CG 4.39Å; F70-F153 HydrophobicContact CZ-CB 3.83Å; F70-F153 AromaticContact CZ-CD2 3.89Å; F70-F153 HydrophobicContact CZ-CD2 3.89Å; F70-F153 AromaticContact CZ-CG 3.99Å; F70-F153 HydrophobicContact CZ-CG 3.99Å; F70-F179 HydrophobicContact CD1-CZ 4.19Å; F70-A183 HydrophobicContact CB-CB 3.63Å; F70-A183 HydrophobicContact CD1-CB 3.83Å; F70-A183 HydrophobicContact CD2-CB 4.11Å; F70-A183 HydrophobicContact CG-CB 3.58Å; F70-V186 HydrophobicContact CE2-CB 4.22Å; F70-V186 HydrophobicContact CE2-CG1 3.9Å; F70-V186 HydrophobicContact CZ-CB 4.06Å; F70-V186 HydrophobicContact CZ-CG1 3.64Å; F70-Q187 HydrophobicContact CD2-CG 4.27Å; F70-Q187 HydrophobicContact CE2-CG 4.4Å
71	P	91.9	Very high	92	Very high	45 Å²	45	69.7 Å²	69.7	29%	0.292	37%	0.373	S	S	.	.	P	Polyproline II helix	trans	-65.2	139.2	170.8	28.3	-33.1	0	0	0	109.5	I73 Y118 F153	P71-I73 PolarHBondContact O-N 3.37Å; P71-Y118 HydrophobicContact CG-CD1 4.31Å; P71-Y118 HydrophobicContact CG-CE1 3.73Å; P71-Y118 HydrophobicContact CG-CE2 4.2Å; P71-F153 HydrophobicContact CG-CE1 3.96Å; P71-F153 HydrophobicContact CG-CZ 4.1Å
72	S	94	Very high	92.2	Very high	109 Å²	109	70.9 Å²	70.9	76%	0.762	38%	0.375	S	S	*	.	P	Polyproline II helix	trans	-73.2	122.5	172	-171.3	0	0	0	0	109.4
73	I	96.4	Very high	92.4	Very high	12 Å²	12	66.6 Å²	66.6	6%	0.062	35%	0.346	C	S	.	.	P	Polyproline II helix	trans	-92.2	146	173.4	-61.6	-172.1	0	0	0	109.1	P71 D75 D77 V79 F179 N180	P71-I73 PolarHBondContact O-N 3.37Å; I73-D75 PolarHBondContact O-N 2.92Å; I73-D77 HydrophobicContact CG2-CB 3.69Å; I73-D77 WeakPolarHBondContact CG2-OD2 3.37Å; I73-V79 HydrophobicContact CD1-CG1 4.37Å; I73-V79 HydrophobicContact CD1-CG2 3.69Å; I73-V79 HydrophobicContact CG2-CG2 3.86Å; I73-F179 HydrophobicContact CB-CD1 4.08Å; I73-F179 HydrophobicContact CD1-CB 4.46Å; I73-F179 HydrophobicContact CD1-CD1 3.42Å; I73-F179 VanDerWaalsContact CD1-CD1 3.42Å; I73-F179 HydrophobicContact CD1-CD2 4.09Å; I73-F179 HydrophobicContact CD1-CE1 3.53Å; I73-F179 HydrophobicContact CD1-CE2 4.17Å; I73-F179 HydrophobicContact CD1-CG 3.72Å; I73-F179 HydrophobicContact CD1-CZ 3.91Å; I73-F179 HydrophobicContact CG1-CD1 3.65Å; I73-F179 HydrophobicContact CG1-CE1 3.75Å; I73-F179 HydrophobicContact CG1-CG 4.38Å; I73-N180 PolarHBondContact N-OD1 3.1Å; I73-N180 PolarHBondContact O-ND2 2.68Å
74	R	97.4	Very high	92.6	Very high	171 Å²	171	61.7 Å²	61.7	65%	0.645	32%	0.316	S	S	*	.	P	Polyproline II helix	trans	-63.8	134.4	176.1	-76.2	174.3	172.2	179.8	1.6	109.9	S76 D77 G176	R74-S76 PolarHBondContact O-N 3.36Å; R74-D77 HydrophobicContact CB-CB 4.4Å; R74-D77 WeakPolarHBondContact O-CB 3.41Å; R74-D77 PolarHBondContact O-N 3.23Å; R74-G176 WeakPolarHBondContact O-CA 3.5Å
75	D	97.8	Very high	92.8	Very high	107 Å²	107	60.9 Å²	60.9	57%	0.572	31%	0.307	S	S	*	.	T	Hydrogen-bonded Turn	trans	-54.7	-35.5	-172.1	-71.6	-17.4	0	0	0	114.5	I73 D77 G176 S177 N180	I73-D75 PolarHBondContact O-N 2.92Å; D75-D77 VanDerWaalsContact C-N 3.34Å; D75-G176 PolarHBondContact O-N 3.16Å; D75-S177 PolarHBondContact O-N 3.29Å; D75-N180 PolarHBondContact OD1-ND2 3.05Å
76	S	97.2	Very high	93.1	Very high	104 Å²	104	57.9 Å²	57.9	73%	0.727	29%	0.291	S	S	*	.	T	Hydrogen-bonded Turn	trans	-83.1	-4.9	-180	64.3	0	0	0	0	114.7	R74	R74-S76 PolarHBondContact O-N 3.36Å
77	D	98.2	Very high	93.6	Very high	9 Å²	9	46.4 Å²	46.4	5%	0.048	25%	0.248	C	C	.	.			trans	-69.4	156.6	179	-168.1	15.1	0	0	0	111	I73 R74 D75 S111 Q113 T175 G176	I73-D77 HydrophobicContact CG2-CB 3.69Å; I73-D77 WeakPolarHBondContact CG2-OD2 3.37Å; R74-D77 HydrophobicContact CB-CB 4.4Å; R74-D77 WeakPolarHBondContact O-CB 3.41Å; R74-D77 PolarHBondContact O-N 3.23Å; D75-D77 VanDerWaalsContact C-N 3.34Å; D77-S111 WeakPolarHBondContact OD2-CB 3.46Å; D77-S111 PolarHBondContact OD2-OG 3.43Å; D77-Q113 HydrophobicContact CB-CB 4.41Å; D77-Q113 WeakPolarHBondContact OD1-CB 3.35Å; D77-Q113 PolarHBondContact OD1-N 3.26Å; D77-T175 CarbonylContact O-C 3.52Å; D77-T175 VanDerWaalsContact O-CA 3.27Å; D77-T175 WeakPolarHBondContact O-CA 3.43Å; D77-G176 PolarHBondContact O-N 3.46Å
78	V	98.3	Very high	93.7	Very high	48 Å²	48	42.9 Å²	42.9	29%	0.291	23%	0.231	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-106.1	120.4	173.2	-179.9	0	0	0	0	108	L112 E173	V78-L112 HydrophobicContact CB-CB 4.19Å; V78-L112 HydrophobicContact CB-CD2 4.13Å; V78-L112 VanDerWaalsContact O-CB 3.25Å; V78-L112 WeakPolarHBondContact O-CB 3.35Å; V78-L112 PolarHBondContact O-N 2.8Å; V78-E173 HydrophobicContact CG1-CB 4.09Å; V78-E173 HydrophobicContact CG1-CG 4.18Å
79	V	98.6	Very high	93.1	Very high	0 Å²	0	44.7 Å²	44.7	0%	0	23%	0.229	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-109.9	114.5	-179.7	-173.3	0	0	0	0	108.5	I73 F109 S110 E173 V174 F179	I73-V79 HydrophobicContact CD1-CG1 4.37Å; I73-V79 HydrophobicContact CD1-CG2 3.69Å; I73-V79 HydrophobicContact CG2-CG2 3.86Å; V79-F109 HydrophobicContact CG1-CB 3.9Å; V79-F109 HydrophobicContact CG1-CD1 4.08Å; V79-F109 HydrophobicContact CG1-CG 4.46Å; V79-S110 CarbonylContact C-O 3.48Å; V79-S110 VanDerWaalsContact CA-O 3.3Å; V79-S110 WeakPolarHBondContact CA-O 3.44Å; V79-E173 CarbonylContact O-C 3.56Å; V79-E173 WeakPolarHBondContact O-CA 3.48Å; V79-V174 HydrophobicContact CB-CG2 3.91Å; V79-V174 HydrophobicContact CG1-CG2 4.48Å; V79-V174 PolarHBondContact N-O 2.8Å; V79-V174 PolarHBondContact O-N 3.1Å; V79-F179 HydrophobicContact CG1-CD2 4.17Å; V79-F179 HydrophobicContact CG2-CB 4.31Å
80	S	98.7	Very high	92.4	Very high	13 Å²	13	39.9 Å²	39.9	9%	0.091	21%	0.213	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-70.4	136.9	172.1	-62.8	0	0	0	0	109.7	Y82 F109 S110 K170	S80-Y82 VanDerWaalsContact CB-CE2 3.45Å; S80-F109 CarbonylContact O-C 3.47Å; S80-F109 VanDerWaalsContact O-CA 3.26Å; S80-F109 WeakPolarHBondContact O-CA 3.49Å; S80-S110 PolarHBondContact N-O 3.06Å; S80-S110 PolarHBondContact O-N 2.91Å; S80-K170 WeakPolarHBondContact OG-CE 3.43Å; S80-K170 PolarHBondContact OG-NZ 2.81Å
81	V	98.6	Very high	91.3	Very high	0 Å²	0	44.9 Å²	44.9	0%	0	24%	0.235	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-109.7	131.4	177.5	-174.2	0	0	0	0	109.2	I107 G108 F109 I171 G172 V174 L229	V81-I107 HydrophobicContact CG1-CG2 3.86Å; V81-G108 CarbonylContact C-O 3.57Å; V81-G108 WeakPolarHBondContact CA-O 3.41Å; V81-F109 HydrophobicContact CG1-CE1 4.1Å; V81-F109 HydrophobicContact CG2-CD1 4.11Å; V81-F109 HydrophobicContact CG2-CE1 4.04Å; V81-I171 HydrophobicContact CB-CG1 4.46Å; V81-I171 HydrophobicContact CG1-CD1 4.28Å; V81-I171 HydrophobicContact CG1-CG1 4.18Å; V81-I171 WeakPolarHBondContact O-CG1 3.48Å; V81-I171 PolarHBondContact O-N 3.06Å; V81-G172 PolarHBondContact N-O 3.17Å; V81-G172 PolarHBondContact O-N 2.91Å; V81-V174 HydrophobicContact CG2-CG1 4Å; V81-V174 HydrophobicContact CG2-CG2 4.01Å; V81-L229 HydrophobicContact CG1-CD1 4.22Å
82	Y	98.4	Very high	90.1	Very high	46 Å²	46	47.6 Å²	47.6	18%	0.18	24%	0.242	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-119.1	137.8	-176.9	-59	-100	0	0	0	111.1	S80 I107 G108 I157 L168 E169 K170	S80-Y82 VanDerWaalsContact CB-CE2 3.45Å; Y82-I107 WeakPolarHBondContact O-CA 3.42Å; Y82-G108 PolarHBondContact N-O 3.15Å; Y82-G108 PolarHBondContact O-N 3.3Å; Y82-I157 HydrophobicContact CD2-CD1 4.14Å; Y82-I157 HydrophobicContact CE2-CD1 4.49Å; Y82-L168 HydrophobicContact CD1-CD2 3.91Å; Y82-L168 HydrophobicContact CE1-CD2 4.33Å; Y82-E169 CarbonylContact C-O 3.58Å; Y82-E169 WeakPolarHBondContact CA-O 3.32Å; Y82-K170 HydrophobicContact CD1-CB 3.84Å; Y82-K170 HydrophobicContact CE1-CB 3.68Å; Y82-K170 HydrophobicContact CE1-CG 4.29Å
83	R	97.9	Very high	88.8	Confident	4 Å²	4	48 Å²	48	2%	0.015	23%	0.227	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-81.1	122.6	161.4	176.4	179.7	176.5	-118.5	-6.9	107.8	E169 I171 Y226 N243	R83-E169 PolarHBondContact N-O 3.32Å; R83-E169 PolarHBondContact O-N 3.32Å; R83-I171 HydrophobicContact CB-CD1 4.32Å; R83-I171 HydrophobicContact CB-CG2 3.72Å; R83-Y226 WeakPolarHBondContact CA-OH 3.38Å; R83-N243 PolarHBondContact NH2-O 3.32Å
84	L	97.7	Very high	87.6	Confident	1 Å²	1	49 Å²	49	1%	0.005	24%	0.24	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-118.5	128.1	178	-57.9	-179.2	0	0	0	108.5	A106 T119 I157 W162 T167 L168	L84-A106 HydrophobicContact CB-CB 3.9Å; L84-A106 HydrophobicContact CD1-CB 4.34Å; L84-A106 PolarHBondContact N-O 2.84Å; L84-A106 VanDerWaalsContact N-O 3.12Å; L84-A106 PolarHBondContact O-N 3.31Å; L84-A106 VanDerWaalsContact O-O 3.13Å; L84-T119 HydrophobicContact CD1-CG2 3.98Å; L84-I157 HydrophobicContact CD1-CG2 4.36Å; L84-I157 HydrophobicContact CD2-CG2 4.15Å; L84-W162 HydrophobicContact CB-CD2 3.76Å; L84-W162 HydrophobicContact CB-CE3 3.7Å; L84-W162 HydrophobicContact CB-CG 4.26Å; L84-W162 HydrophobicContact CB-CH2 4.35Å; L84-W162 HydrophobicContact CB-CZ2 4.4Å; L84-W162 HydrophobicContact CB-CZ3 4Å; L84-W162 HydrophobicContact CD1-CD2 4.28Å; L84-W162 HydrophobicContact CD1-CG 4.47Å; L84-W162 HydrophobicContact CD1-CZ2 4.29Å; L84-W162 HydrophobicContact CD2-CB 4.24Å; L84-W162 HydrophobicContact CD2-CD2 4.36Å; L84-W162 HydrophobicContact CD2-CG 3.98Å; L84-W162 HydrophobicContact CG-CD2 4.35Å; L84-W162 HydrophobicContact CG-CG 4.46Å; L84-T167 CarbonylContact C-O 3.52Å; L84-T167 WeakPolarHBondContact CA-O 3.24Å; L84-L168 HydrophobicContact CD2-CB 4.3Å; L84-L168 HydrophobicContact CD2-CD1 4.4Å; L84-L168 HydrophobicContact CD2-CG 3.79Å
85	Q	94.8	Very high	86.1	Confident	0 Å²	0	43.6 Å²	43.6	0%	0	23%	0.225	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-146.5	139.6	177.6	-170.5	174.9	50.2	0	0	109.7	M103 H104 D105 G166 T167 N243 Y331	Q85-M103 HydrophobicContact CG-CB 3.62Å; Q85-M103 HydrophobicContact CG-CE 3.92Å; Q85-M103 HydrophobicContact CG-CG 4.15Å; Q85-H104 VanDerWaalsContact CA-O 3.29Å; Q85-H104 WeakPolarHBondContact CA-O 3.46Å; Q85-D105 WeakPolarHBondContact CG-OD1 3.42Å; Q85-D105 PolarHBondContact NE2-OD1 3.44Å; Q85-G166 CarbonylContact O-C 3.59Å; Q85-G166 WeakPolarHBondContact O-CA 3.43Å; Q85-T167 PolarHBondContact N-O 2.93Å; Q85-T167 PolarHBondContact O-N 3.09Å; Q85-N243 PolarHBondContact NE2-O 3.2Å; Q85-Y331 PolarHBondContact OE1-OH 2.75Å
86	T	91.9	Very high	84.7	Confident	2 Å²	2	42.2 Å²	42.2	1%	0.012	22%	0.22	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-153.1	154.3	179.1	-167.1	0	0	0	0	110.3	V88 M103 H104 H161 W162	T86-V88 PolarHBondContact O-N 3.38Å; T86-M103 CarbonylContact O-C 3.59Å; T86-M103 WeakPolarHBondContact O-CA 3.41Å; T86-H104 HydrophobicContact CG2-CB 4.3Å; T86-H104 PolarHBondContact N-O 2.75Å; T86-H104 PolarHBondContact O-N 2.84Å; T86-H161 WeakPolarHBondContact CG2-CE1 3.47Å; T86-H161 WeakPolarHBondContact CG2-NE2 3.3Å; T86-H161 PolarHBondContact OG1-O 2.84Å; T86-W162 HydrophobicContact CG2-CE3 3.76Å; T86-W162 HydrophobicContact CG2-CH2 4.2Å; T86-W162 HydrophobicContact CG2-CZ3 3.44Å; T86-W162 VanDerWaalsContact CG2-CZ3 3.44Å
87	P	86.8	Confident	83.4	Confident	2 Å²	2	39.1 Å²	39.1	1%	0.013	20%	0.195	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-57.3	137.1	175.4	-27.9	38.1	0	0	0	113	M103 N165	P87-M103 HydrophobicContact CG-CE 4.1Å; P87-M103 HydrophobicContact CG-SD 4.29Å; P87-N165 WeakPolarHBondContact CD-O 3.26Å; P87-N165 HydrophobicContact CG-CB 4.11Å
88	V	79	Confident	81.6	Confident	34 Å²	34	39.1 Å²	39.1	21%	0.206	20%	0.197	C	C	.	.	T	Hydrogen-bonded Turn	trans	-65.3	147.3	178.2	-160.3	0	0	0	0	109.8	T86 E90 L97 I102 M103 H104	T86-V88 PolarHBondContact O-N 3.38Å; V88-E90 PolarHBondContact O-N 2.95Å; V88-E90 VanDerWaalsContact O-N 3.11Å; V88-L97 WeakPolarHBondContact O-CD1 3.25Å; V88-I102 HydrophobicContact CB-CG2 4.29Å; V88-I102 HydrophobicContact CG2-CG2 3.74Å; V88-I102 PolarHBondContact N-O 3.45Å; V88-M103 WeakPolarHBondContact CG2-O 3.46Å; V88-H104 HydrophobicContact CG2-CB 4.09Å
89	W	66.8	Low	80.3	Confident	64 Å²	64	44 Å²	44	24%	0.242	21%	0.214	C	C	.	.	T	Hydrogen-bonded Turn	trans	54.3	28.1	176.7	-62.2	83.9	0	0	0	114.6	Y58 F91 K92 Y93 L97 Q127	Y58-W89 HydrophobicContact CE2-CZ3 4.42Å; W89-F91 HydrophobicContact CB-CE1 4.49Å; W89-F91 HydrophobicContact CD2-CE1 4.33Å; W89-F91 HydrophobicContact CD2-CZ 4.28Å; W89-F91 AromaticContact CE3-CE1 3.98Å; W89-F91 HydrophobicContact CE3-CE1 3.98Å; W89-F91 HydrophobicContact CE3-CE2 4.29Å; W89-F91 AromaticContact CE3-CZ 3.5Å; W89-F91 HydrophobicContact CE3-CZ 3.5Å; W89-F91 AromaticContact CZ3-CZ 3.89Å; W89-F91 HydrophobicContact CZ3-CZ 3.89Å; W89-F91 PolarHBondContact O-N 2.85Å; W89-F91 VanDerWaalsContact O-N 3.15Å; W89-K92 HydrophobicContact CB-CB 4.48Å; W89-K92 HydrophobicContact CE3-CB 4.06Å; W89-K92 HydrophobicContact CE3-CD 3.52Å; W89-K92 HydrophobicContact CE3-CG 4.44Å; W89-K92 HydrophobicContact CZ3-CD 3.66Å; W89-K92 PolarHBondContact O-N 3.23Å; W89-Y93 HydrophobicContact CB-CD2 3.57Å; W89-Y93 HydrophobicContact CB-CE2 4Å; W89-Y93 HydrophobicContact CD2-CE2 4.25Å; W89-Y93 HydrophobicContact CE3-CE2 4.14Å; W89-Y93 HydrophobicContact CG-CD2 4.26Å; W89-Y93 HydrophobicContact CG-CE2 4.22Å; W89-Y93 PolarHBondContact O-N 3.09Å; W89-L97 HydrophobicContact CB-CD1 4.2Å; W89-Q127 HydrophobicContact CH2-CB 4.33Å; W89-Q127 HydrophobicContact CH2-CG 4.05Å; W89-Q127 HydrophobicContact CZ2-CB 4.17Å; W89-Q127 HydrophobicContact CZ2-CG 4.24Å
90	E	70.3	Confident	78.9	Confident	34 Å²	34	50.6 Å²	50.6	16%	0.159	24%	0.243	C	C	.	.	H	α-helix	trans	-52.1	-39.1	176.7	-174.3	-179.6	-146.2	0	0	111.7	V88 K92 G94 H161 N165	V88-E90 PolarHBondContact O-N 2.95Å; V88-E90 VanDerWaalsContact O-N 3.11Å; E90-K92 PolarHBondContact O-N 3.25Å; E90-K92 VanDerWaalsContact O-N 3.11Å; E90-G94 WeakPolarHBondContact O-CA 3.31Å; E90-G94 PolarHBondContact O-N 3.46Å; E90-H161 IonicContact OE2-CE1 3.62Å; E90-H161 IonicContact OE2-ND1 3.64Å; E90-H161 PolarHBondContact OE2-ND1 3.15Å; E90-N165 PolarHBondContact OE1-ND2 3.39Å
91	F	66	Low	78	Confident	138 Å²	138	54.4 Å²	54.4	61%	0.605	26%	0.259	S	S	*	.	H	α-helix	trans	-59.1	-24.8	176.8	74.1	-91.2	0	0	0	114.3	Y58 W89	Y58-F91 HydrophobicContact CD2-CE2 4.44Å; Y58-F91 HydrophobicContact CD2-CZ 4.29Å; Y58-F91 HydrophobicContact CE1-CE2 4.33Å; Y58-F91 AromaticContact CE2-CE2 3.87Å; Y58-F91 HydrophobicContact CE2-CE2 3.87Å; Y58-F91 HydrophobicContact CE2-CZ 4.05Å; Y58-F91 AromaticContact CZ-CE2 3.8Å; W89-F91 HydrophobicContact CB-CE1 4.49Å; W89-F91 HydrophobicContact CD2-CE1 4.33Å; W89-F91 HydrophobicContact CD2-CZ 4.28Å; W89-F91 AromaticContact CE3-CE1 3.98Å; W89-F91 HydrophobicContact CE3-CE1 3.98Å; W89-F91 HydrophobicContact CE3-CE2 4.29Å; W89-F91 AromaticContact CE3-CZ 3.5Å; W89-F91 HydrophobicContact CE3-CZ 3.5Å; W89-F91 AromaticContact CZ3-CZ 3.89Å; W89-F91 HydrophobicContact CZ3-CZ 3.89Å; W89-F91 PolarHBondContact O-N 2.85Å; W89-F91 VanDerWaalsContact O-N 3.15Å
92	K	67.5	Low	77.4	Confident	102 Å²	102	56.2 Å²	56.2	44%	0.443	27%	0.269	S	S	.	.	H	α-helix	trans	-106.7	-37.3	-176	-170.6	174.7	-179.8	-169.7	0	112.9	W89 E90	W89-K92 HydrophobicContact CB-CB 4.48Å; W89-K92 HydrophobicContact CE3-CB 4.06Å; W89-K92 HydrophobicContact CE3-CD 3.52Å; W89-K92 HydrophobicContact CE3-CG 4.44Å; W89-K92 HydrophobicContact CZ3-CD 3.66Å; W89-K92 PolarHBondContact O-N 3.23Å; E90-K92 PolarHBondContact O-N 3.25Å; E90-K92 VanDerWaalsContact O-N 3.11Å
93	Y	67	Low	77	Confident	117 Å²	117	54.9 Å²	54.9	46%	0.459	26%	0.264	S	S	.	.	H	α-helix	trans	-120.5	2.7	-171.9	-56.5	-64.6	0	0	0	113.7	W89 V96 L97	W89-Y93 HydrophobicContact CB-CD2 3.57Å; W89-Y93 HydrophobicContact CB-CE2 4Å; W89-Y93 HydrophobicContact CD2-CE2 4.25Å; W89-Y93 HydrophobicContact CE3-CE2 4.14Å; W89-Y93 HydrophobicContact CG-CD2 4.26Å; W89-Y93 HydrophobicContact CG-CE2 4.22Å; W89-Y93 PolarHBondContact O-N 3.09Å; Y93-V96 WeakPolarHBondContact O-CG2 3.48Å; Y93-L97 HydrophobicContact CD2-CD1 4.26Å
94	G	69.9	Low	76.8	Confident	32 Å²	32	55.9 Å²	55.9	33%	0.33	27%	0.269	S	S	.	.	G	3₁₀ helix	trans	58.4	-148.1	-173.3	0	0	0	0	0	112	E90 V96	E90-G94 WeakPolarHBondContact O-CA 3.31Å; E90-G94 PolarHBondContact O-N 3.46Å; G94-V96 PolarHBondContact O-N 3.36Å; G94-V96 VanDerWaalsContact O-N 3.14Å
95	D	67.6	Low	76.8	Confident	59 Å²	59	56 Å²	56	32%	0.316	27%	0.27	S	S	.	.	G	3₁₀ helix	trans	-76	6.9	-177	-176.8	46.2	0	0	0	114.5	L97 G98 K99	D95-L97 PolarHBondContact O-N 2.5Å; D95-G98 PolarHBondContact O-N 2.97Å; D95-K99 PolarHBondContact O-N 2.86Å
96	V	66.6	Low	76.9	Confident	77 Å²	77	56 Å²	56	47%	0.467	27%	0.27	S	S	.	.	G	3₁₀ helix	trans	-61.5	-43.8	-176.3	174.7	0	0	0	0	111.8	Y93 G94 G98 K99 F100	Y93-V96 WeakPolarHBondContact O-CG2 3.48Å; G94-V96 PolarHBondContact O-N 3.36Å; G94-V96 VanDerWaalsContact O-N 3.14Å; V96-G98 VanDerWaalsContact C-N 3.3Å; V96-G98 PolarHBondContact O-N 2.9Å; V96-K99 WeakPolarHBondContact O-CB 3.35Å; V96-K99 PolarHBondContact O-N 2.8Å; V96-F100 HydrophobicContact CG1-CE2 4.3Å; V96-F100 VanDerWaalsContact O-CD2 3.26Å; V96-F100 WeakPolarHBondContact O-CD2 3.49Å
97	L	69.8	Low	77.2	Confident	40 Å²	40	56 Å²	56	21%	0.209	27%	0.269	C	S	.	.	T	Hydrogen-bonded Turn	trans	-73	-24.7	179.4	-62.8	-171.5	0	0	0	112.4	V88 W89 Y93 D95 K99 F100 H101 I102	V88-L97 WeakPolarHBondContact O-CD1 3.25Å; W89-L97 HydrophobicContact CB-CD1 4.2Å; Y93-L97 HydrophobicContact CD2-CD1 4.26Å; D95-L97 PolarHBondContact O-N 2.5Å; L97-K99 VanDerWaalsContact C-N 3.3Å; L97-K99 PolarHBondContact O-N 2.99Å; L97-F100 CarbonylContact O-C 3.47Å; L97-F100 PolarHBondContact O-N 3.04Å; L97-F100 VanDerWaalsContact O-N 3.13Å; L97-H101 PolarHBondContact O-N 3Å; L97-I102 HydrophobicContact CB-CB 4.39Å; L97-I102 HydrophobicContact CD2-CD1 4.43Å; L97-I102 PolarHBondContact O-N 2.88Å; L97-I102 VanDerWaalsContact O-N 3.07Å
98	G	61.1	Low	77.8	Confident	9 Å²	9	55.9 Å²	55.9	9%	0.093	27%	0.269	C	S	.	.	G	3₁₀ helix	trans	-63.4	-36.3	172.1	0	0	0	0	0	112.2	D95 V96 F100 H101	D95-G98 PolarHBondContact O-N 2.97Å; V96-G98 VanDerWaalsContact C-N 3.3Å; V96-G98 PolarHBondContact O-N 2.9Å; G98-F100 PolarHBondContact O-N 2.95Å; G98-H101 WeakPolarHBondContact O-CA 3.31Å; G98-H101 PolarHBondContact O-N 2.89Å; G98-H101 PolarHBondContact O-ND1 3.37Å
99	K	70.6	Confident	78.7	Confident	149 Å²	149	54.2 Å²	54.2	65%	0.648	26%	0.259	S	S	*	.	G	3₁₀ helix	trans	-66.3	-20.4	174.3	-62.8	177.4	-172.1	-179.2	0	114.1	D95 V96 L97	D95-K99 PolarHBondContact O-N 2.86Å; V96-K99 WeakPolarHBondContact O-CB 3.35Å; V96-K99 PolarHBondContact O-N 2.8Å; L97-K99 VanDerWaalsContact C-N 3.3Å; L97-K99 PolarHBondContact O-N 2.99Å
100	F	69.6	Low	80.2	Confident	139 Å²	139	52.3 Å²	52.3	61%	0.61	26%	0.255	S	S	*	.	G	3₁₀ helix	trans	-100.2	6.9	172.4	-64.3	-77.9	0	0	0	112.4	V96 L97 G98 I102	V96-F100 HydrophobicContact CG1-CE2 4.3Å; V96-F100 VanDerWaalsContact O-CD2 3.26Å; V96-F100 WeakPolarHBondContact O-CD2 3.49Å; L97-F100 CarbonylContact O-C 3.47Å; L97-F100 PolarHBondContact O-N 3.04Å; L97-F100 VanDerWaalsContact O-N 3.13Å; G98-F100 PolarHBondContact O-N 2.95Å; F100-I102 VanDerWaalsContact C-N 3.25Å; F100-I102 HydrophobicContact CB-CD1 4.31Å; F100-I102 HydrophobicContact CB-CG1 4.32Å; F100-I102 PolarHBondContact O-N 3.29Å
101	H	79.9	Confident	81.5	Confident	94 Å²	94	50.8 Å²	50.8	44%	0.435	25%	0.249	S	C	.	.	T	Hydrogen-bonded Turn	trans	51.5	43.1	-177.3	-56.9	-61.2	0	0	0	113.2	L97 G98 T245 Y331	L97-H101 PolarHBondContact O-N 3Å; G98-H101 WeakPolarHBondContact O-CA 3.31Å; G98-H101 PolarHBondContact O-N 2.89Å; G98-H101 PolarHBondContact O-ND1 3.37Å; H101-T245 PolarHBondContact O-OG1 2.78Å; H101-Y331 VanDerWaalsContact CB-CB 3.49Å; H101-Y331 HydrophobicContact CB-CD1 4.03Å; H101-Y331 HydrophobicContact CB-CD2 4.04Å; H101-Y331 HydrophobicContact CB-CG 3.6Å; H101-Y331 AromaticContact CG-CD1 3.96Å
102	I	85.5	Confident	83	Confident	38 Å²	38	50.5 Å²	50.5	20%	0.195	25%	0.253	C	S	.	.			trans	-95.4	99.6	168.8	-59	172.5	0	0	0	106.5	V88 L97 F100 T245 I329	V88-I102 HydrophobicContact CB-CG2 4.29Å; V88-I102 HydrophobicContact CG2-CG2 3.74Å; V88-I102 PolarHBondContact N-O 3.45Å; L97-I102 HydrophobicContact CB-CB 4.39Å; L97-I102 HydrophobicContact CD2-CD1 4.43Å; L97-I102 PolarHBondContact O-N 2.88Å; L97-I102 VanDerWaalsContact O-N 3.07Å; F100-I102 VanDerWaalsContact C-N 3.25Å; F100-I102 HydrophobicContact CB-CD1 4.31Å; F100-I102 HydrophobicContact CB-CG1 4.32Å; F100-I102 PolarHBondContact O-N 3.29Å; I102-T245 HydrophobicContact CG1-CG2 4.48Å; I102-T245 HydrophobicContact CG2-CG2 4.48Å; I102-I329 HydrophobicContact CD1-CD1 3.96Å; I102-I329 HydrophobicContact CG1-CD1 4.47Å; I102-I329 HydrophobicContact CG1-CG2 4.07Å
103	M	90.5	Very high	84.4	Confident	17 Å²	17	50.2 Å²	50.2	8%	0.084	25%	0.253	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-110.6	147	-170.3	-48.4	-57.3	-73.4	0	0	110.9	Q85 T86 P87 V88 T245 Y331	Q85-M103 HydrophobicContact CG-CB 3.62Å; Q85-M103 HydrophobicContact CG-CE 3.92Å; Q85-M103 HydrophobicContact CG-CG 4.15Å; T86-M103 CarbonylContact O-C 3.59Å; T86-M103 WeakPolarHBondContact O-CA 3.41Å; P87-M103 HydrophobicContact CG-CE 4.1Å; P87-M103 HydrophobicContact CG-SD 4.29Å; V88-M103 WeakPolarHBondContact CG2-O 3.46Å; M103-T245 PolarHBondContact N-OG1 2.74Å; M103-Y331 HydrophobicContact CG-CD2 4.28Å; M103-Y331 HydrophobicContact CG-CE2 3.79Å
104	H	94.1	Very high	85.7	Confident	26 Å²	26	49.2 Å²	49.2	12%	0.12	26%	0.259	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-98.1	136	166.3	-179.7	54.3	0	0	0	108.7	Q85 T86 V88 E121 W162	Q85-H104 VanDerWaalsContact CA-O 3.29Å; Q85-H104 WeakPolarHBondContact CA-O 3.46Å; T86-H104 HydrophobicContact CG2-CB 4.3Å; T86-H104 PolarHBondContact N-O 2.75Å; T86-H104 PolarHBondContact O-N 2.84Å; V88-H104 HydrophobicContact CG2-CB 4.09Å; H104-E121 IonicContact CD2-OE2 2.74Å; H104-E121 IonicContact CE1-OE2 3.33Å; H104-E121 IonicContact NE2-OE2 3.86Å; H104-E121 PolarHBondContact NE2-OE2 3.25Å; H104-W162 AromaticContact CD2-CH2 3.95Å
105	D	96.8	Very high	86.9	Confident	3 Å²	3	50.3 Å²	50.3	2%	0.016	27%	0.27	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-116.4	137.9	-174.3	-59.6	-69.4	0	0	0	111.2	Q85 S219 V222 Y244	Q85-D105 WeakPolarHBondContact CG-OD1 3.42Å; Q85-D105 PolarHBondContact NE2-OD1 3.44Å; D105-S219 VanDerWaalsContact OD2-CB 3.31Å; D105-S219 WeakPolarHBondContact OD2-CB 3.3Å; D105-V222 HydrophobicContact CB-CG2 3.89Å; D105-Y244 HydrophobicContact CB-CD1 4.48Å; D105-Y244 HydrophobicContact CB-CE1 4.42Å; D105-Y244 WeakPolarHBondContact OD1-CD1 3.49Å; D105-Y244 WeakPolarHBondContact OD2-CD1 3.48Å
106	A	98	Very high	88.3	Confident	1 Å²	1	48.3 Å²	48.3	1%	0.008	26%	0.262	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-146.2	172	-179.9	0	0	0	0	0	111.7	L84 T119 E121 W162	L84-A106 HydrophobicContact CB-CB 3.9Å; L84-A106 HydrophobicContact CD1-CB 4.34Å; L84-A106 PolarHBondContact N-O 2.84Å; L84-A106 VanDerWaalsContact N-O 3.12Å; L84-A106 PolarHBondContact O-N 3.31Å; L84-A106 VanDerWaalsContact O-O 3.13Å; A106-T119 HydrophobicContact CB-CG2 4.27Å; A106-E121 HydrophobicContact CB-CB 4.47Å; A106-E121 HydrophobicContact CB-CG 3.76Å; A106-W162 HydrophobicContact CB-CH2 3.5Å; A106-W162 VanDerWaalsContact CB-CH2 3.5Å; A106-W162 HydrophobicContact CB-CZ2 3.96Å; A106-W162 HydrophobicContact CB-CZ3 4.1Å
107	I	98.6	Very high	89.7	Confident	0 Å²	0	47 Å²	47	0%	0	25%	0.252	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-123.6	126.7	176	-53	174.5	0	0	0	109.2	V81 Y82 F109 M120 V222 T225 Y226	V81-I107 HydrophobicContact CG1-CG2 3.86Å; Y82-I107 WeakPolarHBondContact O-CA 3.42Å; I107-F109 HydrophobicContact CB-CE2 4.08Å; I107-F109 HydrophobicContact CB-CZ 4.23Å; I107-F109 HydrophobicContact CG2-CD2 4.32Å; I107-F109 HydrophobicContact CG2-CE1 3.96Å; I107-F109 HydrophobicContact CG2-CE2 3.61Å; I107-F109 HydrophobicContact CG2-CZ 3.4Å; I107-M120 HydrophobicContact CD1-CE 4.06Å; I107-M120 PolarHBondContact N-O 3.31Å; I107-M120 PolarHBondContact O-N 3.15Å; I107-V222 HydrophobicContact CD1-CB 4.44Å; I107-V222 HydrophobicContact CD1-CG1 4.23Å; I107-V222 HydrophobicContact CD1-CG2 4.4Å; I107-V222 HydrophobicContact CG1-CB 4.41Å; I107-V222 HydrophobicContact CG1-CG1 4.05Å; I107-V222 HydrophobicContact CG1-CG2 4Å; I107-T225 VanDerWaalsContact CD1-CB 3.42Å; I107-T225 HydrophobicContact CD1-CG2 3.43Å; I107-T225 VanDerWaalsContact CD1-CG2 3.43Å; I107-Y226 HydrophobicContact CB-CE1 4.49Å; I107-Y226 HydrophobicContact CD1-CD1 3.89Å; I107-Y226 HydrophobicContact CD1-CE1 3.53Å; I107-Y226 HydrophobicContact CG1-CD1 4.5Å; I107-Y226 HydrophobicContact CG1-CE1 3.66Å; I107-Y226 HydrophobicContact CG2-CE1 4.05Å
108	G	98.3	Very high	91	Very high	0 Å²	0	46.5 Å²	46.5	0%	0	25%	0.248	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-95.6	147	172.2	0	0	0	0	0	111.3	V81 Y82 Y118	V81-G108 CarbonylContact C-O 3.57Å; V81-G108 WeakPolarHBondContact CA-O 3.41Å; Y82-G108 PolarHBondContact N-O 3.15Å; Y82-G108 PolarHBondContact O-N 3.3Å; G108-Y118 CarbonylContact C-O 3.52Å; G108-Y118 WeakPolarHBondContact CA-O 3.45Å
109	F	98.4	Very high	92.8	Very high	0 Å²	0	46 Å²	46	0%	0	24%	0.243	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-130	141.1	172.2	-60.7	-81.4	0	0	0	110	V79 S80 V81 I107 N117 Y118 M120 F179 M182 L229	V79-F109 HydrophobicContact CG1-CB 3.9Å; V79-F109 HydrophobicContact CG1-CD1 4.08Å; V79-F109 HydrophobicContact CG1-CG 4.46Å; S80-F109 CarbonylContact O-C 3.47Å; S80-F109 VanDerWaalsContact O-CA 3.26Å; S80-F109 WeakPolarHBondContact O-CA 3.49Å; V81-F109 HydrophobicContact CG1-CE1 4.1Å; V81-F109 HydrophobicContact CG2-CD1 4.11Å; V81-F109 HydrophobicContact CG2-CE1 4.04Å; I107-F109 HydrophobicContact CB-CE2 4.08Å; I107-F109 HydrophobicContact CB-CZ 4.23Å; I107-F109 HydrophobicContact CG2-CD2 4.32Å; I107-F109 HydrophobicContact CG2-CE1 3.96Å; I107-F109 HydrophobicContact CG2-CE2 3.61Å; I107-F109 HydrophobicContact CG2-CZ 3.4Å; F109-N117 CarbonylContact O-C 3.6Å; F109-N117 WeakPolarHBondContact O-CA 3.41Å; F109-N117 VanDerWaalsContact O-CB 3.31Å; F109-N117 WeakPolarHBondContact O-CB 3.47Å; F109-Y118 PolarHBondContact N-O 3.46Å; F109-Y118 PolarHBondContact O-N 3.21Å; F109-M120 HydrophobicContact CE2-CB 3.97Å; F109-M120 HydrophobicContact CE2-CE 3.94Å; F109-M120 HydrophobicContact CE2-SD 4.34Å; F109-M120 HydrophobicContact CZ-CE 4.13Å; F109-F179 HydrophobicContact CB-CE2 4.02Å; F109-F179 AromaticContact CD1-CD2 3.84Å; F109-F179 HydrophobicContact CD1-CD2 3.84Å; F109-F179 AromaticContact CD1-CE2 3.89Å; F109-F179 HydrophobicContact CD1-CE2 3.89Å; F109-F179 AromaticContact CD2-CE2 3.94Å; F109-F179 HydrophobicContact CD2-CE2 3.94Å; F109-F179 HydrophobicContact CE1-CD2 4.18Å; F109-F179 HydrophobicContact CE1-CE2 4.33Å; F109-F179 HydrophobicContact CE2-CE2 4.37Å; F109-F179 HydrophobicContact CG-CD2 4.1Å; F109-F179 AromaticContact CG-CE2 3.67Å; F109-F179 HydrophobicContact CG-CE2 3.67Å; F109-M182 HydrophobicContact CE1-CE 3.81Å; F109-M182 HydrophobicContact CE2-CE 3.99Å; F109-M182 HydrophobicContact CZ-CE 3.4Å; F109-M182 HydrophobicContact CZ-SD 4.46Å; F109-L229 HydrophobicContact CE1-CD1 4.41Å
110	S	98.1	Very high	94.1	Very high	24 Å²	24	39 Å²	39	17%	0.168	21%	0.213	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-138.6	123.5	172.2	-179	0	0	0	0	111.2	V79 S80 A116	V79-S110 CarbonylContact C-O 3.48Å; V79-S110 VanDerWaalsContact CA-O 3.3Å; V79-S110 WeakPolarHBondContact CA-O 3.44Å; S80-S110 PolarHBondContact N-O 3.06Å; S80-S110 PolarHBondContact O-N 2.91Å; S110-A116 CarbonylContact C-O 3.23Å; S110-A116 WeakPolarHBondContact CA-O 3.48Å
111	S	97.9	Very high	95.3	Very high	2 Å²	2	33.2 Å²	33.2	1%	0.014	19%	0.188	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-77	126.9	175.7	163.4	0	0	0	0	110.3	D77 Q113 T114 G115 A116	D77-S111 WeakPolarHBondContact OD2-CB 3.46Å; D77-S111 PolarHBondContact OD2-OG 3.43Å; S111-Q113 PolarHBondContact OG-N 3.22Å; S111-T114 VanDerWaalsContact CB-OG1 3.24Å; S111-T114 WeakPolarHBondContact CB-OG1 3.33Å; S111-T114 PolarHBondContact OG-N 3.17Å; S111-T114 PolarHBondContact OG-OG1 2.62Å; S111-G115 VanDerWaalsContact O-CA 3.25Å; S111-G115 WeakPolarHBondContact O-CA 3.38Å; S111-G115 PolarHBondContact O-N 2.83Å; S111-A116 PolarHBondContact N-O 3.48Å
112	L	97.2	Very high	96.2	Very high	132 Å²	132	28.8 Å²	28.8	69%	0.691	17%	0.167	S	C	*	.	T	Hydrogen-bonded Turn	trans	-69.7	-36.1	174.5	-176.8	62.2	0	0	0	111.7	V78	V78-L112 HydrophobicContact CB-CB 4.19Å; V78-L112 HydrophobicContact CB-CD2 4.13Å; V78-L112 VanDerWaalsContact O-CB 3.25Å; V78-L112 WeakPolarHBondContact O-CB 3.35Å; V78-L112 PolarHBondContact O-N 2.8Å
113	Q	96.4	Very high	96.7	Very high	95 Å²	95	29 Å²	29	44%	0.444	17%	0.166	S	C	.	.	T	Hydrogen-bonded Turn	trans	-75.4	-41.4	-176.2	-176.9	167.3	36.9	0	0	113.6	D77 S111	D77-Q113 HydrophobicContact CB-CB 4.41Å; D77-Q113 WeakPolarHBondContact OD1-CB 3.35Å; D77-Q113 PolarHBondContact OD1-N 3.26Å; S111-Q113 PolarHBondContact OG-N 3.22Å
114	T	95.2	Very high	96.9	Very high	96 Å²	96	29.5 Å²	29.5	59%	0.589	17%	0.168	S	C	*	.	T	Hydrogen-bonded Turn	trans	-95.5	-21	-177.8	67.3	0	0	0	0	112.5	S111 A116	S111-T114 VanDerWaalsContact CB-OG1 3.24Å; S111-T114 WeakPolarHBondContact CB-OG1 3.33Å; S111-T114 PolarHBondContact OG-N 3.17Å; S111-T114 PolarHBondContact OG-OG1 2.62Å; T114-A116 PolarHBondContact O-N 2.96Å; T114-A116 WeakPolarHBondContact OG1-CB 3.1Å; T114-A116 PolarHBondContact OG1-N 3.25Å; T114-A116 VanDerWaalsContact OG1-N 3.15Å
115	G	95.3	Very high	97	Very high	55 Å²	55	29.4 Å²	29.4	57%	0.567	17%	0.168	S	C	*	.			trans	73.6	-2.1	-170.3	0	0	0	0	0	113.8	S111	S111-G115 VanDerWaalsContact O-CA 3.25Å; S111-G115 WeakPolarHBondContact O-CA 3.38Å; S111-G115 PolarHBondContact O-N 2.83Å
116	A	96.1	Very high	96.9	Very high	18 Å²	18	30 Å²	30	15%	0.149	17%	0.17	C	C	.	.			trans	-69.5	146	177.2	0	0	0	0	0	110.5	S110 S111 T114 Y118	S110-A116 CarbonylContact C-O 3.23Å; S110-A116 WeakPolarHBondContact CA-O 3.48Å; S111-A116 PolarHBondContact N-O 3.48Å; T114-A116 PolarHBondContact O-N 2.96Å; T114-A116 WeakPolarHBondContact OG1-CB 3.1Å; T114-A116 PolarHBondContact OG1-N 3.25Å; T114-A116 VanDerWaalsContact OG1-N 3.15Å; A116-Y118 HydrophobicContact CB-CE2 4.05Å; A116-Y118 WeakPolarHBondContact CB-OH 3.31Å
117	N	97.1	Very high	96.6	Very high	48 Å²	48	31.8 Å²	31.8	26%	0.257	18%	0.179	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-129.7	158.3	173.7	65.5	17.2	0	0	0	110.9	F109 G156 I157	F109-N117 CarbonylContact O-C 3.6Å; F109-N117 WeakPolarHBondContact O-CA 3.41Å; F109-N117 VanDerWaalsContact O-CB 3.31Å; F109-N117 WeakPolarHBondContact O-CB 3.47Å; N117-G156 PolarHBondContact O-N 3.21Å; N117-G156 WeakPolarHBondContact OD1-CA 3.47Å; N117-G156 PolarHBondContact OD1-N 3.44Å; N117-I157 HydrophobicContact CB-CD1 3.97Å; N117-I157 HydrophobicContact CB-CG1 4.04Å; N117-I157 PolarHBondContact OD1-N 3.05Å; N117-I157 VanDerWaalsContact OD1-N 3.1Å
118	Y	97	Very high	96.2	Very high	30 Å²	30	34.1 Å²	34.1	12%	0.118	19%	0.191	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-144.9	148.5	-171.4	-51.3	-81.3	0	0	0	109.8	P71 G108 F109 A116 F153 F154 E155	P71-Y118 HydrophobicContact CG-CD1 4.31Å; P71-Y118 HydrophobicContact CG-CE1 3.73Å; P71-Y118 HydrophobicContact CG-CE2 4.2Å; G108-Y118 CarbonylContact C-O 3.52Å; G108-Y118 WeakPolarHBondContact CA-O 3.45Å; F109-Y118 PolarHBondContact N-O 3.46Å; F109-Y118 PolarHBondContact O-N 3.21Å; A116-Y118 HydrophobicContact CB-CE2 4.05Å; A116-Y118 WeakPolarHBondContact CB-OH 3.31Å; Y118-F153 AromaticContact CD1-CE1 3.59Å; Y118-F153 HydrophobicContact CD1-CE1 3.59Å; Y118-F153 HydrophobicContact CD1-CE2 4.5Å; Y118-F153 AromaticContact CD1-CZ 3.45Å; Y118-F153 HydrophobicContact CD1-CZ 3.45Å; Y118-F153 VanDerWaalsContact CD1-CZ 3.45Å; Y118-F153 HydrophobicContact CD2-CZ 4.05Å; Y118-F153 HydrophobicContact CE1-CE1 4.3Å; Y118-F153 HydrophobicContact CE1-CZ 4.32Å; Y118-F153 AromaticContact CG-CE1 3.97Å; Y118-F153 HydrophobicContact CG-CE1 3.97Å; Y118-F153 HydrophobicContact CG-CE2 4.06Å; Y118-F153 AromaticContact CG-CZ 3.31Å; Y118-F153 HydrophobicContact CG-CZ 3.31Å; Y118-F154 CarbonylContact C-O 3.53Å; Y118-F154 VanDerWaalsContact CA-O 3.27Å; Y118-F154 WeakPolarHBondContact CA-O 3.45Å; Y118-E155 HydrophobicContact CD1-CB 4.19Å; Y118-E155 HydrophobicContact CD1-CG 4.37Å; Y118-E155 HydrophobicContact CE1-CB 4.28Å; Y118-E155 HydrophobicContact CE1-CG 4.17Å
119	T	97.8	Very high	95.8	Very high	0 Å²	0	36.2 Å²	36.2	0%	0	21%	0.213	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-114.4	135.2	171.8	-60.6	0	0	0	0	108.9	L84 A106 E121 F153 F154 G156 W162	L84-T119 HydrophobicContact CD1-CG2 3.98Å; A106-T119 HydrophobicContact CB-CG2 4.27Å; T119-E121 HydrophobicContact CG2-CG 3.83Å; T119-F153 WeakPolarHBondContact O-CA 3.43Å; T119-F154 VanDerWaalsContact CB-CZ 3.49Å; T119-F154 HydrophobicContact CG2-CE1 3.95Å; T119-F154 HydrophobicContact CG2-CE2 4.1Å; T119-F154 HydrophobicContact CG2-CZ 3.51Å; T119-F154 PolarHBondContact N-O 3.43Å; T119-F154 PolarHBondContact O-N 3.47Å; T119-G156 WeakPolarHBondContact CB-O 3.29Å; T119-G156 PolarHBondContact N-O 2.9Å; T119-G156 PolarHBondContact OG1-O 3.47Å; T119-W162 HydrophobicContact CG2-CZ2 3.94Å
120	M	97.7	Very high	95.5	Very high	0 Å²	0	37.6 Å²	37.6	0%	0	22%	0.22	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-123.6	124.7	176.1	-168.4	174.2	69.7	0	0	110	F70 I107 F109 C152 F153 M182 V186 F221 T225	F70-M120 HydrophobicContact CE1-CG 4.29Å; F70-M120 HydrophobicContact CE1-SD 3.44Å; F70-M120 WeakPolarHBondContact CE1-SD 3.4Å; F70-M120 HydrophobicContact CZ-CG 4.3Å; F70-M120 HydrophobicContact CZ-SD 3.54Å; F70-M120 VanDerWaalsContact CZ-SD 3.54Å; I107-M120 HydrophobicContact CD1-CE 4.06Å; I107-M120 PolarHBondContact N-O 3.31Å; I107-M120 PolarHBondContact O-N 3.15Å; F109-M120 HydrophobicContact CE2-CB 3.97Å; F109-M120 HydrophobicContact CE2-CE 3.94Å; F109-M120 HydrophobicContact CE2-SD 4.34Å; F109-M120 HydrophobicContact CZ-CE 4.13Å; M120-C152 WeakPolarHBondContact CA-O 3.31Å; M120-F153 HydrophobicContact CB-CD2 3.99Å; M120-F153 HydrophobicContact CG-CD2 4.19Å; M120-M182 HydrophobicContact CE-CE 4.5Å; M120-M182 HydrophobicContact CE-SD 3.93Å; M120-M182 HydrophobicContact SD-SD 4.31Å; M120-V186 HydrophobicContact CE-CG2 4.06Å; M120-V186 HydrophobicContact SD-CG1 4.1Å; M120-V186 HydrophobicContact SD-CG2 3.9Å; M120-F221 HydrophobicContact CE-CE1 3.85Å; M120-F221 HydrophobicContact CE-CZ 3.72Å; M120-F221 HydrophobicContact CG-CE1 4.09Å; M120-F221 HydrophobicContact CG-CZ 4.12Å; M120-F221 HydrophobicContact SD-CE1 4.41Å; M120-F221 HydrophobicContact SD-CZ 4Å; M120-T225 HydrophobicContact CE-CG2 3.6Å
121	E	96.4	Very high	95.4	Very high	19 Å²	19	36.5 Å²	36.5	9%	0.089	21%	0.213	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-130.4	167.4	-177.4	-44.1	-169.4	175.5	0	0	109.8	H104 A106 T119 Y123 A151 C152 F154 W162	H104-E121 IonicContact CD2-OE2 2.74Å; H104-E121 IonicContact CE1-OE2 3.33Å; H104-E121 IonicContact NE2-OE2 3.86Å; H104-E121 PolarHBondContact NE2-OE2 3.25Å; A106-E121 HydrophobicContact CB-CB 4.47Å; A106-E121 HydrophobicContact CB-CG 3.76Å; T119-E121 HydrophobicContact CG2-CG 3.83Å; E121-Y123 HydrophobicContact CB-CD1 3.89Å; E121-Y123 HydrophobicContact CB-CE1 4.11Å; E121-Y123 WeakPolarHBondContact OE2-CE1 3.2Å; E121-A151 CarbonylContact O-C 3.54Å; E121-A151 VanDerWaalsContact O-CA 3.29Å; E121-A151 WeakPolarHBondContact O-CA 3.19Å; E121-C152 PolarHBondContact N-O 2.89Å; E121-C152 PolarHBondContact O-N 2.91Å; E121-F154 HydrophobicContact CG-CE1 4.12Å; E121-W162 WeakPolarHBondContact OE1-CZ2 3.27Å
122	W	97.3	Very high	95.2	Very high	0 Å²	0	37 Å²	37	0%	0	22%	0.215	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-142.7	118	167.9	-170.9	105.1	0	0	0	108.9	G149 A150 Y196 Y216 C218 F221	W122-G149 VanDerWaalsContact CZ2-O 3.25Å; W122-G149 WeakPolarHBondContact CZ2-O 3.44Å; W122-A150 VanDerWaalsContact CA-O 3.29Å; W122-A150 WeakPolarHBondContact CA-O 3.38Å; W122-Y196 HydrophobicContact CE3-CD2 4.06Å; W122-Y196 HydrophobicContact CE3-CE2 4.44Å; W122-Y196 AromaticContact CH2-CD2 3.99Å; W122-Y196 HydrophobicContact CH2-CD2 3.99Å; W122-Y196 HydrophobicContact CH2-CG 4.3Å; W122-Y196 AromaticContact CZ3-CD2 3.25Å; W122-Y196 HydrophobicContact CZ3-CD2 3.25Å; W122-Y196 AromaticContact CZ3-CE2 3.94Å; W122-Y196 HydrophobicContact CZ3-CE2 3.94Å; W122-Y196 AromaticContact CZ3-CG 3.94Å; W122-Y196 HydrophobicContact CZ3-CG 3.94Å; W122-Y216 AromaticContact CH2-CD1 3.54Å; W122-Y216 HydrophobicContact CH2-CD1 3.54Å; W122-Y216 AromaticContact CH2-CE1 3.87Å; W122-Y216 HydrophobicContact CH2-CE1 3.87Å; W122-Y216 AromaticContact CZ2-CD1 3.8Å; W122-Y216 HydrophobicContact CZ2-CD1 3.8Å; W122-Y216 AromaticContact CZ2-CE1 3.6Å; W122-Y216 HydrophobicContact CZ2-CE1 3.6Å; W122-Y216 HydrophobicContact CZ3-CD1 4.13Å; W122-Y216 WeakPolarHBondContact CZ3-O 3.42Å; W122-C218 VanDerWaalsContact O-CA 3.27Å; W122-C218 WeakPolarHBondContact O-CA 3.18Å; W122-C218 WeakPolarHBondContact O-CB 3.41Å; W122-F221 HydrophobicContact CB-CB 3.52Å; W122-F221 HydrophobicContact CB-CD1 3.33Å; W122-F221 HydrophobicContact CB-CD2 3.75Å; W122-F221 HydrophobicContact CB-CE1 3.89Å; W122-F221 HydrophobicContact CB-CE2 4.27Å; W122-F221 HydrophobicContact CB-CG 3.23Å; W122-F221 HydrophobicContact CB-CZ 4.33Å; W122-F221 AromaticContact CD1-CD2 3.63Å; W122-F221 AromaticContact CD1-CE2 3.99Å; W122-F221 HydrophobicContact CD2-CB 4.4Å; W122-F221 HydrophobicContact CG-CB 3.87Å; W122-F221 HydrophobicContact CG-CD1 4.3Å; W122-F221 AromaticContact CG-CD2 3.84Å; W122-F221 HydrophobicContact CG-CD2 3.84Å; W122-F221 HydrophobicContact CG-CE2 4.45Å; W122-F221 AromaticContact CG-CG 3.74Å; W122-F221 HydrophobicContact CG-CG 3.74Å
123	Y	95.9	Very high	95.1	Very high	43 Å²	43	32.6 Å²	32.6	17%	0.169	19%	0.191	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-154.8	179.6	-172.9	64.6	-89.3	0	0	0	111.8	F60 C61 E121 G149 A150 C152	F60-Y123 AromaticContact CD2-CD2 3.8Å; F60-Y123 HydrophobicContact CD2-CD2 3.8Å; F60-Y123 HydrophobicContact CD2-CE1 4.45Å; F60-Y123 AromaticContact CD2-CE2 3.33Å; F60-Y123 HydrophobicContact CD2-CE2 3.33Å; F60-Y123 AromaticContact CD2-CZ 3.72Å; F60-Y123 HydrophobicContact CE2-CD1 4.19Å; F60-Y123 AromaticContact CE2-CD2 3.86Å; F60-Y123 HydrophobicContact CE2-CD2 3.86Å; F60-Y123 HydrophobicContact CE2-CE1 4Å; F60-Y123 AromaticContact CE2-CE2 3.64Å; F60-Y123 HydrophobicContact CE2-CE2 3.64Å; F60-Y123 HydrophobicContact CE2-CG 4.13Å; F60-Y123 AromaticContact CE2-CZ 3.72Å; F60-Y123 HydrophobicContact CG-CE2 4.37Å; C61-Y123 VanDerWaalsContact CA-OH 3.27Å; C61-Y123 WeakPolarHBondContact CA-OH 3.33Å; C61-Y123 PolarHBondContact N-OH 2.99Å; E121-Y123 HydrophobicContact CB-CD1 3.89Å; E121-Y123 HydrophobicContact CB-CE1 4.11Å; E121-Y123 WeakPolarHBondContact OE2-CE1 3.2Å; Y123-G149 VanDerWaalsContact O-CA 3.27Å; Y123-G149 WeakPolarHBondContact O-CA 3.49Å; Y123-A150 PolarHBondContact N-O 3.43Å; Y123-A150 VanDerWaalsContact N-O 3.08Å; Y123-A150 PolarHBondContact O-N 3.46Å; Y123-C152 HydrophobicContact CD1-CB 4.39Å; Y123-C152 HydrophobicContact CE1-CB 3.63Å
124	E	96	Very high	95	Very high	27 Å²	27	28.1 Å²	28.1	13%	0.126	17%	0.17	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-70.3	134	-172.3	-50.4	89.7	159.3	0	0	112.1	F126 L128 C131 Y196	E124-F126 PolarHBondContact O-N 3.42Å; E124-L128 WeakPolarHBondContact OE1-CA 3.32Å; E124-L128 WeakPolarHBondContact OE1-CB 3.43Å; E124-L128 VanDerWaalsContact OE1-CD1 3.24Å; E124-L128 WeakPolarHBondContact OE1-CD1 3.31Å; E124-C131 VanDerWaalsContact CB-SG 3.52Å; E124-C131 HydrophobicContact CG-CB 4.03Å; E124-C131 WeakPolarHBondContact CG-SG 3.3Å; E124-Y196 HydrophobicContact CG-CD1 4.32Å; E124-Y196 HydrophobicContact CG-CD2 3.56Å; E124-Y196 HydrophobicContact CG-CE2 3.82Å; E124-Y196 HydrophobicContact CG-CG 3.86Å; E124-Y196 VanDerWaalsContact OE1-CE2 3.32Å; E124-Y196 WeakPolarHBondContact OE1-CE2 3.15Å; E124-Y196 VanDerWaalsContact OE1-CZ 3.25Å; E124-Y196 PolarHBondContact OE1-OH 3.2Å
125	L	95.8	Very high	95	Very high	24 Å²	24	25.1 Å²	25.1	13%	0.126	15%	0.149	C	C	.	.	T	Hydrogen-bonded Turn	trans	-65.5	-34	172.3	-85.6	65.8	0	0	0	111.6	A56 F60 Q148 A150	A56-L125 WeakPolarHBondContact CB-O 3.33Å; F60-L125 HydrophobicContact CB-CG 4.41Å; F60-L125 HydrophobicContact CD1-CD1 4.48Å; F60-L125 HydrophobicContact CD1-CG 4.25Å; F60-L125 HydrophobicContact CD2-CD1 4.15Å; F60-L125 HydrophobicContact CD2-CG 4.24Å; F60-L125 HydrophobicContact CE1-CD1 4.45Å; F60-L125 HydrophobicContact CE2-CD1 4.13Å; F60-L125 HydrophobicContact CG-CD1 4.35Å; F60-L125 HydrophobicContact CG-CG 4.03Å; F60-L125 HydrophobicContact CZ-CD1 4.28Å; L125-Q148 HydrophobicContact CB-CB 4.46Å; L125-Q148 HydrophobicContact CD1-CB 4.24Å; L125-Q148 HydrophobicContact CD2-CB 3.97Å; L125-Q148 HydrophobicContact CG-CB 4.46Å; L125-Q148 PolarHBondContact N-O 2.7Å; L125-A150 HydrophobicContact CD1-CB 3.56Å
126	F	95.1	Very high	94.9	Very high	15 Å²	15	24.5 Å²	24.5	7%	0.066	13%	0.133	C	C	.	.	T	Hydrogen-bonded Turn	trans	-123.5	29.8	-170.8	-47.6	-70.3	0	0	0	112.4	A50 C54 A56 E124 N130 C146 Q148	A50-F126 HydrophobicContact CB-CE2 4.37Å; A50-F126 HydrophobicContact CB-CZ 3.61Å; C54-F126 HydrophobicContact CB-CD1 3.96Å; C54-F126 HydrophobicContact CB-CD2 3.98Å; C54-F126 HydrophobicContact CB-CE1 3.72Å; C54-F126 HydrophobicContact CB-CE2 3.73Å; C54-F126 HydrophobicContact CB-CG 4.1Å; C54-F126 HydrophobicContact CB-CZ 3.61Å; C54-F126 WeakPolarHBondContact O-CE1 3.14Å; A56-F126 HydrophobicContact CB-CD1 4Å; E124-F126 PolarHBondContact O-N 3.42Å; F126-N130 HydrophobicContact CB-CB 4.09Å; F126-N130 WeakPolarHBondContact O-CB 3.25Å; F126-N130 PolarHBondContact O-ND2 2.88Å; F126-C146 HydrophobicContact CB-CB 4.38Å; F126-C146 HydrophobicContact CD2-CB 3.98Å; F126-C146 WeakPolarHBondContact CD2-O 3.27Å; F126-C146 HydrophobicContact CG-CB 4.31Å; F126-Q148 HydrophobicContact CE2-CB 4.29Å
127	Q	90.7	Very high	94.8	Very high	39 Å²	39	25.8 Å²	25.8	18%	0.182	13%	0.134	C	C	.	.	H	α-helix	trans	66.2	155.4	-177.5	-59.4	80.2	30	0	0	115.2	Y58 W89 G129 N130	Y58-Q127 PolarHBondContact O-NE2 3.44Å; W89-Q127 HydrophobicContact CH2-CB 4.33Å; W89-Q127 HydrophobicContact CH2-CG 4.05Å; W89-Q127 HydrophobicContact CZ2-CB 4.17Å; W89-Q127 HydrophobicContact CZ2-CG 4.24Å; Q127-G129 VanDerWaalsContact C-N 3.31Å; Q127-G129 PolarHBondContact O-N 3.41Å; Q127-N130 PolarHBondContact O-N 3.01Å
128	L	90.3	Very high	94.4	Very high	49 Å²	49	29.6 Å²	29.6	26%	0.257	16%	0.161	S	C	.	.	H	α-helix	trans	-51.8	-39.9	-173.9	-178.6	61.5	0	0	0	115.1	E124 N130 C131 T132 Y196 T198	E124-L128 WeakPolarHBondContact OE1-CA 3.32Å; E124-L128 WeakPolarHBondContact OE1-CB 3.43Å; E124-L128 VanDerWaalsContact OE1-CD1 3.24Å; E124-L128 WeakPolarHBondContact OE1-CD1 3.31Å; L128-N130 VanDerWaalsContact C-N 3.34Å; L128-N130 PolarHBondContact O-N 2.83Å; L128-C131 PolarHBondContact O-N 2.8Å; L128-C131 VanDerWaalsContact O-N 3.15Å; L128-T132 PolarHBondContact O-N 2.8Å; L128-T132 PolarHBondContact O-OG1 2.78Å; L128-Y196 HydrophobicContact CD1-CE1 3.78Å; L128-T198 HydrophobicContact CD1-CG2 4.11Å; L128-T198 WeakPolarHBondContact CD1-OG1 3.02Å
129	G	89.6	Confident	94.1	Very high	44 Å²	44	33.9 Å²	33.9	45%	0.454	18%	0.182	S	C	.	.	H	α-helix	trans	-59	-44.9	-178.1	0	0	0	0	0	112.6	Q127 C131 T132 F133	Q127-G129 VanDerWaalsContact C-N 3.31Å; Q127-G129 PolarHBondContact O-N 3.41Å; G129-C131 VanDerWaalsContact C-N 3.26Å; G129-C131 PolarHBondContact O-N 2.96Å; G129-T132 PolarHBondContact O-N 3.43Å; G129-F133 PolarHBondContact O-N 3.09Å
130	N	93.3	Very high	93.8	Very high	29 Å²	29	36.8 Å²	36.8	16%	0.155	20%	0.196	C	C	.	.	H	α-helix	trans	-72.6	-19.7	-179.7	-68.3	-24.2	0	0	0	113	F126 Q127 L128 H135 C146	F126-N130 HydrophobicContact CB-CB 4.09Å; F126-N130 WeakPolarHBondContact O-CB 3.25Å; F126-N130 PolarHBondContact O-ND2 2.88Å; Q127-N130 PolarHBondContact O-N 3.01Å; L128-N130 VanDerWaalsContact C-N 3.34Å; L128-N130 PolarHBondContact O-N 2.83Å; N130-H135 PolarHBondContact OD1-CE1 2.7Å; N130-H135 PolarHBondContact OD1-NE2 3.46Å; N130-C146 CarbonylContact C-O 3.51Å; N130-C146 HydrophobicContact CB-CB 4.08Å; N130-C146 CarbonylContact O-C 3.59Å
131	C	94.5	Very high	93.4	Very high	2 Å²	2	40.8 Å²	40.8	1%	0.014	21%	0.214	C	C	.	.	H	α-helix	trans	-84.3	-25.2	172.1	-63.1	0	0	0	0	113.1	E124 L128 G129 N147 Y196	E124-C131 VanDerWaalsContact CB-SG 3.52Å; E124-C131 HydrophobicContact CG-CB 4.03Å; E124-C131 WeakPolarHBondContact CG-SG 3.3Å; L128-C131 PolarHBondContact O-N 2.8Å; L128-C131 VanDerWaalsContact O-N 3.15Å; G129-C131 VanDerWaalsContact C-N 3.26Å; G129-C131 PolarHBondContact O-N 2.96Å; C131-N147 HydrophobicContact CB-CB 4.23Å; C131-N147 VanDerWaalsContact SG-CA 3.57Å; C131-Y196 HydrophobicContact CB-CD1 3.87Å; C131-Y196 HydrophobicContact CB-CG 4.11Å
132	T	94.1	Very high	93.4	Very high	12 Å²	12	41 Å²	41	7%	0.074	22%	0.219	C	C	.	.	H	α-helix	trans	-92.7	-35.3	-175.3	-50.8	0	0	0	0	112.4	L128 G129 T198 W199	L128-T132 PolarHBondContact O-N 2.8Å; L128-T132 PolarHBondContact O-OG1 2.78Å; G129-T132 PolarHBondContact O-N 3.43Å; T132-T198 HydrophobicContact CG2-CG2 4.32Å; T132-T198 PolarHBondContact OG1-OG1 3.23Å; T132-W199 HydrophobicContact CG2-CZ2 3.6Å
133	F	94.9	Very high	93.3	Very high	39 Å²	39	41.2 Å²	41.2	17%	0.171	22%	0.22	C	C	.	.	S	Bend	trans	-135.9	143	-178.2	-58.4	-67.5	0	0	0	111.8	G129 W199 Y280 F283 F309	G129-F133 PolarHBondContact O-N 3.09Å; F133-W199 AromaticContact CZ-CZ2 4Å; F133-W199 HydrophobicContact CZ-CZ2 4Å; F133-Y280 HydrophobicContact CD1-CD1 4.1Å; F133-Y280 HydrophobicContact CD1-CE1 4.27Å; F133-F283 HydrophobicContact CB-CB 3.89Å; F133-F283 HydrophobicContact CD1-CB 3.58Å; F133-F283 HydrophobicContact CD1-CD1 4.24Å; F133-F283 AromaticContact CD1-CD2 3.83Å; F133-F283 HydrophobicContact CD1-CD2 3.83Å; F133-F283 AromaticContact CD1-CG 3.62Å; F133-F283 HydrophobicContact CD1-CG 3.62Å; F133-F283 HydrophobicContact CD2-CB 3.59Å; F133-F283 HydrophobicContact CD2-CD1 4.22Å; F133-F283 HydrophobicContact CD2-CG 4.07Å; F133-F283 HydrophobicContact CE1-CB 3.92Å; F133-F283 AromaticContact CE1-CD1 3.66Å; F133-F283 HydrophobicContact CE1-CD1 3.66Å; F133-F283 AromaticContact CE1-CD2 3.63Å; F133-F283 HydrophobicContact CE1-CD2 3.63Å; F133-F283 HydrophobicContact CE1-CE1 4.04Å; F133-F283 HydrophobicContact CE1-CE2 4.02Å; F133-F283 AromaticContact CE1-CG 3.44Å; F133-F283 HydrophobicContact CE1-CG 3.44Å; F133-F283 VanDerWaalsContact CE1-CG 3.44Å; F133-F283 HydrophobicContact CE1-CZ 4.2Å; F133-F283 HydrophobicContact CE2-CB 3.93Å; F133-F283 AromaticContact CE2-CD1 3.63Å; F133-F283 HydrophobicContact CE2-CD1 3.63Å; F133-F283 HydrophobicContact CE2-CE1 4.38Å; F133-F283 AromaticContact CE2-CG 3.91Å; F133-F283 HydrophobicContact CE2-CG 3.91Å; F133-F283 HydrophobicContact CG-CB 3.39Å; F133-F283 HydrophobicContact CG-CD1 4.48Å; F133-F283 AromaticContact CG-CG 3.92Å; F133-F283 HydrophobicContact CG-CG 3.92Å; F133-F283 HydrophobicContact CZ-CB 4.08Å; F133-F283 AromaticContact CZ-CD1 3.31Å; F133-F283 HydrophobicContact CZ-CD1 3.31Å; F133-F283 HydrophobicContact CZ-CD2 4.19Å; F133-F283 AromaticContact CZ-CE1 3.7Å; F133-F283 HydrophobicContact CZ-CE1 3.7Å; F133-F283 AromaticContact CZ-CG 3.59Å; F133-F283 HydrophobicContact CZ-CG 3.59Å; F133-F283 HydrophobicContact CZ-CZ 4.28Å; F133-F309 HydrophobicContact CE1-CZ 4.49Å
134	P	95.9	Very high	93.4	Very high	1 Å²	1	41.1 Å²	41.1	1%	0.006	22%	0.221	C	C	.	.			trans	-81.9	164.6	-176.5	31.7	-30.8	0	0	0	112.8	P143 F144 W145 Y280	P134-P143 HydrophobicContact CB-CB 3.54Å; P134-P143 HydrophobicContact CG-CB 3.48Å; P134-P143 VanDerWaalsContact CG-CB 3.48Å; P134-P143 HydrophobicContact CG-CG 4.45Å; P134-F144 CarbonylContact C-O 3.58Å; P134-F144 WeakPolarHBondContact CA-O 3.3Å; P134-F144 WeakPolarHBondContact CB-O 3.25Å; P134-W145 HydrophobicContact CB-CD2 3.75Å; P134-W145 HydrophobicContact CB-CE3 4.28Å; P134-W145 HydrophobicContact CB-CG 4.07Å; P134-W145 HydrophobicContact CB-CH2 4.45Å; P134-W145 HydrophobicContact CB-CZ2 3.89Å; P134-W145 HydrophobicContact CG-CD2 4.43Å; P134-W145 HydrophobicContact CG-CH2 4.18Å; P134-W145 HydrophobicContact CG-CZ2 3.64Å; P134-Y280 HydrophobicContact CG-CD1 3.85Å; P134-Y280 HydrophobicContact CG-CD2 3.65Å; P134-Y280 HydrophobicContact CG-CE1 4.3Å; P134-Y280 HydrophobicContact CG-CE2 4.1Å; P134-Y280 HydrophobicContact CG-CG 3.51Å
135	H	94.6	Very high	93.4	Very high	34 Å²	34	41.3 Å²	41.3	16%	0.157	22%	0.22	C	C	.	.	B	Isolated β-bridge	trans	-86.6	131.7	166.8	-57.9	-91.7	0	0	0	110.8	F53 N130 R137 F144	F53-H135 HydrophobicContact CE1-CB 3.73Å; F53-H135 AromaticContact CE1-CD2 3.76Å; F53-H135 AromaticContact CE1-CG 3.55Å; F53-H135 AromaticContact CE1-ND1 3.94Å; F53-H135 HydrophobicContact CZ-CB 3.95Å; N130-H135 PolarHBondContact OD1-CE1 2.7Å; N130-H135 PolarHBondContact OD1-NE2 3.46Å; H135-R137 PolarHBondContact O-N 3.15Å; H135-F144 PolarHBondContact N-O 3.45Å; H135-F144 PolarHBondContact O-N 2.89Å
136	L	93.9	Very high	93.5	Very high	42 Å²	42	40.2 Å²	40.2	22%	0.22	22%	0.215	C	C	.	.			trans	-94	98.4	172.9	-58	-174	0	0	0	110.1	P143 R277 H281	L136-P143 HydrophobicContact CD2-CB 3.84Å; L136-P143 HydrophobicContact CD2-CG 3.95Å; L136-R277 WeakPolarHBondContact CD1-O 3.39Å; L136-R277 HydrophobicContact CD2-CG 4.46Å; L136-H281 HydrophobicContact CD1-CB 3.68Å
137	R	92.4	Very high	93.6	Very high	45 Å²	45	39.9 Å²	39.9	17%	0.17	21%	0.214	C	C	.	.			trans	-85.6	134.5	179	-69.4	172.8	56.9	-177.4	0.2	110.4	F53 H135 E139 M140 R277	F53-R137 HydrophobicContact CE2-CG 4.05Å; F53-R137 HydrophobicContact CZ-CG 4Å; H135-R137 PolarHBondContact O-N 3.15Å; R137-E139 VanDerWaalsContact C-N 3.27Å; R137-E139 IonicContact CZ-OE1 3.17Å; R137-E139 IonicContact NE-OE1 2.72Å; R137-E139 PolarHBondContact NE-OE1 3.26Å; R137-E139 IonicContact NH2-OE1 3.75Å; R137-E139 PolarHBondContact NH2-OE1 3.35Å; R137-E139 PolarHBondContact O-N 2.85Å; R137-M140 HydrophobicContact CB-CB 4.49Å; R137-M140 HydrophobicContact CB-CE 4.14Å; R137-M140 VanDerWaalsContact CD-CE 3.46Å; R137-M140 HydrophobicContact CG-CE 4.33Å; R137-M140 VanDerWaalsContact CZ-CE 3.45Å; R137-M140 PolarHBondContact O-N 3.47Å; R137-R277 PolarHBondContact O-NH2 3.22Å
138	P	89.1	Confident	93.9	Very high	127 Å²	127	39.3 Å²	39.3	83%	0.825	21%	0.211	S	C	*	.	T	Hydrogen-bonded Turn	trans	-61.1	-33.4	178	-25.9	34.6	0	0	0	114.1	M140	P138-M140 VanDerWaalsContact C-N 3.34Å
139	E	91.5	Very high	94.2	Very high	120 Å²	120	37 Å²	37	56%	0.561	20%	0.199	S	C	*	.	T	Hydrogen-bonded Turn	trans	-83.3	-6.3	-176.4	69.3	-79.5	-172.9	0	0	114.1	R137	R137-E139 VanDerWaalsContact C-N 3.27Å; R137-E139 IonicContact CZ-OE1 3.17Å; R137-E139 IonicContact NE-OE1 2.72Å; R137-E139 PolarHBondContact NE-OE1 3.26Å; R137-E139 IonicContact NH2-OE1 3.75Å; R137-E139 PolarHBondContact NH2-OE1 3.35Å; R137-E139 PolarHBondContact O-N 2.85Å
140	M	90.9	Very high	94.6	Very high	61 Å²	61	35.1 Å²	35.1	30%	0.3	18%	0.18	S	C	.	.			trans	-129.4	135.4	177.9	-65.3	-168.9	-54.7	0	0	111.7	R137 P138 F144 R277	R137-M140 HydrophobicContact CB-CB 4.49Å; R137-M140 HydrophobicContact CB-CE 4.14Å; R137-M140 VanDerWaalsContact CD-CE 3.46Å; R137-M140 HydrophobicContact CG-CE 4.33Å; R137-M140 VanDerWaalsContact CZ-CE 3.45Å; R137-M140 PolarHBondContact O-N 3.47Å; P138-M140 VanDerWaalsContact C-N 3.34Å; M140-F144 HydrophobicContact CE-CB 3.71Å; M140-F144 HydrophobicContact CE-CD2 3.41Å; M140-F144 VanDerWaalsContact CE-CD2 3.41Å; M140-F144 HydrophobicContact CE-CE2 4.24Å; M140-F144 HydrophobicContact CE-CG 3.75Å; M140-F144 HydrophobicContact SD-CD2 4.5Å; M140-R277 PolarHBondContact O-NH1 2.68Å
141	F	90.1	Very high	94.7	Very high	85 Å²	85	34.3 Å²	34.3	37%	0.373	18%	0.177	S	C	.	.	S	Bend	trans	-81.7	-32.3	-180	-159.5	-121.3	0	0	0	112.8	F264 A273 M274 R277	F141-F264 HydrophobicContact CD1-CB 3.79Å; F141-F264 AromaticContact CD1-CD1 3.75Å; F141-F264 HydrophobicContact CD1-CD1 3.75Å; F141-F264 HydrophobicContact CD1-CG 4.26Å; F141-F264 WeakPolarHBondContact CD1-O 3.25Å; F141-F264 HydrophobicContact CE1-CD1 4.06Å; F141-F264 HydrophobicContact CG-CD1 4.38Å; F141-F264 WeakPolarHBondContact O-CD1 3.36Å; F141-A273 HydrophobicContact CD1-CB 4.34Å; F141-A273 HydrophobicContact CE1-CB 3.43Å; F141-A273 VanDerWaalsContact CE1-CB 3.43Å; F141-A273 HydrophobicContact CZ-CB 3.95Å; F141-M274 HydrophobicContact CZ-CG 4.35Å; F141-R277 VanDerWaalsContact C-NH1 3.26Å; F141-R277 VanDerWaalsContact O-CD 3.3Å; F141-R277 WeakPolarHBondContact O-CD 3.46Å; F141-R277 PolarHBondContact O-NH1 2.65Å
142	A	95.7	Very high	94.8	Very high	24 Å²	24	34.3 Å²	34.3	20%	0.198	18%	0.177	C	C	.	.	S	Bend	trans	-74.9	139.2	169.4	0	0	0	0	0	110.9	D260 F264	A142-D260 HydrophobicContact CB-CB 4.15Å; A142-F264 HydrophobicContact CB-CB 4.11Å; A142-F264 HydrophobicContact CB-CD2 3.8Å; A142-F264 HydrophobicContact CB-CE2 4.39Å; A142-F264 HydrophobicContact CB-CG 3.88Å
143	P	96.2	Very high	94.9	Very high	4 Å²	4	34.4 Å²	34.4	3%	0.026	18%	0.176	C	C	.	.			trans	-56.2	139	165.9	-22.4	32.3	0	0	0	111.6	P134 L136 F264 I276 R277 Y280	P134-P143 HydrophobicContact CB-CB 3.54Å; P134-P143 HydrophobicContact CG-CB 3.48Å; P134-P143 VanDerWaalsContact CG-CB 3.48Å; P134-P143 HydrophobicContact CG-CG 4.45Å; L136-P143 HydrophobicContact CD2-CB 3.84Å; L136-P143 HydrophobicContact CD2-CG 3.95Å; P143-F264 HydrophobicContact CG-CE1 4.41Å; P143-F264 HydrophobicContact CG-CZ 4.05Å; P143-I276 HydrophobicContact CG-CG2 4.48Å; P143-R277 HydrophobicContact CG-CG 4.37Å; P143-Y280 HydrophobicContact CB-CD2 4.46Å; P143-Y280 HydrophobicContact CG-CD2 4.12Å
144	F	96.4	Very high	94.9	Very high	41 Å²	41	34.3 Å²	34.3	18%	0.18	18%	0.176	C	C	.	.	B	Isolated β-bridge	trans	-104.2	127.1	-175.4	-172.2	-100.5	0	0	0	111.5	D51 F53 P134 H135 M140	D51-F144 HydrophobicContact CB-CE1 4.38Å; D51-F144 HydrophobicContact CB-CZ 3.72Å; F53-F144 HydrophobicContact CB-CE1 4.09Å; F53-F144 AromaticContact CD1-CD1 3.57Å; F53-F144 HydrophobicContact CD1-CD1 3.57Å; F53-F144 AromaticContact CD1-CE1 3.54Å; F53-F144 HydrophobicContact CD1-CE1 3.54Å; F53-F144 AromaticContact CE1-CD1 3.97Å; F53-F144 HydrophobicContact CE1-CD1 3.97Å; F53-F144 HydrophobicContact CE1-CE1 4.39Å; F53-F144 HydrophobicContact CG-CD1 4.35Å; F53-F144 HydrophobicContact CG-CE1 4.13Å; P134-F144 CarbonylContact C-O 3.58Å; P134-F144 WeakPolarHBondContact CA-O 3.3Å; P134-F144 WeakPolarHBondContact CB-O 3.25Å; H135-F144 PolarHBondContact N-O 3.45Å; H135-F144 PolarHBondContact O-N 2.89Å; M140-F144 HydrophobicContact CE-CB 3.71Å; M140-F144 HydrophobicContact CE-CD2 3.41Å; M140-F144 VanDerWaalsContact CE-CD2 3.41Å; M140-F144 HydrophobicContact CE-CE2 4.24Å; M140-F144 HydrophobicContact CE-CG 3.75Å; M140-F144 HydrophobicContact SD-CD2 4.5Å
145	W	96.8	Very high	94.9	Very high	30 Å²	30	41.2 Å²	41.2	11%	0.114	21%	0.208	C	C	.	.			trans	-105.4	129.4	-173.7	-67.8	86.1	0	0	0	112.1	P134 N147 Y280 Y312	P134-W145 HydrophobicContact CB-CD2 3.75Å; P134-W145 HydrophobicContact CB-CE3 4.28Å; P134-W145 HydrophobicContact CB-CG 4.07Å; P134-W145 HydrophobicContact CB-CH2 4.45Å; P134-W145 HydrophobicContact CB-CZ2 3.89Å; P134-W145 HydrophobicContact CG-CD2 4.43Å; P134-W145 HydrophobicContact CG-CH2 4.18Å; P134-W145 HydrophobicContact CG-CZ2 3.64Å; W145-N147 HydrophobicContact CB-CB 4.36Å; W145-N147 HydrophobicContact CE3-CB 4.17Å; W145-Y280 HydrophobicContact CH2-CE1 4.27Å; W145-Y280 HydrophobicContact CZ2-CE1 4.27Å; W145-Y280 HydrophobicContact CZ2-CE2 4.3Å; W145-Y280 AromaticContact CZ2-CZ 3.9Å; W145-Y312 HydrophobicContact CB-CE1 4.43Å; W145-Y312 AromaticContact CD1-CD1 3.88Å; W145-Y312 AromaticContact CD1-CE1 3.5Å; W145-Y312 VanDerWaalsContact CD1-CE1 3.5Å; W145-Y312 AromaticContact CD1-CZ 3.62Å; W145-Y312 AromaticContact CD2-CD1 3.62Å; W145-Y312 HydrophobicContact CD2-CD1 3.62Å; W145-Y312 AromaticContact CD2-CE1 3.9Å; W145-Y312 HydrophobicContact CD2-CE1 3.9Å; W145-Y312 HydrophobicContact CD2-CG 4.24Å; W145-Y312 AromaticContact CE2-CD1 3.34Å; W145-Y312 AromaticContact CE2-CE1 3.84Å; W145-Y312 AromaticContact CE2-CG 3.46Å; W145-Y312 VanDerWaalsContact CE2-CG 3.46Å; W145-Y312 HydrophobicContact CE3-CD1 4.21Å; W145-Y312 AromaticContact CG-CD1 3.97Å; W145-Y312 HydrophobicContact CG-CD1 3.97Å; W145-Y312 AromaticContact CG-CE1 3.71Å; W145-Y312 HydrophobicContact CG-CE1 3.71Å; W145-Y312 HydrophobicContact CH2-CD1 4.27Å; W145-Y312 HydrophobicContact CH2-CG 4.25Å; W145-Y312 AromaticContact CZ2-CD1 3.74Å; W145-Y312 HydrophobicContact CZ2-CD1 3.74Å; W145-Y312 HydrophobicContact CZ2-CD2 4.31Å; W145-Y312 AromaticContact CZ2-CG 3.51Å; W145-Y312 HydrophobicContact CZ2-CG 3.51Å; W145-Y312 HydrophobicContact CZ3-CD1 4.48Å; W145-Y312 AromaticContact NE1-CD1 3.49Å; W145-Y312 AromaticContact NE1-CD2 3.72Å; W145-Y312 AromaticContact NE1-CE1 3.56Å; W145-Y312 AromaticContact NE1-CE2 3.77Å; W145-Y312 AromaticContact NE1-CG 3.54Å; W145-Y312 AromaticContact NE1-CZ 3.66Å
146	C	96.8	Very high	95	Very high	2 Å²	2	40.7 Å²	40.7	1%	0.014	21%	0.212	C	C	.	.			trans	-108.9	55.1	168.8	-68.7	0	0	0	0	109	C54 F126 N130	C54-C146 WeakPolarHBondContact CA-SG 3.46Å; C54-C146 HydrophobicContact CB-CB 3.76Å; C54-C146 WeakPolarHBondContact CB-SG 3.47Å; C54-C146 VanDerWaalsContact SG-CA 3.53Å; C54-C146 WeakPolarHBondContact SG-CB 3.35Å; C54-C146 CovalentContact SG-SG 2.04Å; C54-C146 PolarHBondContact SG-SG 2.98Å; F126-C146 HydrophobicContact CB-CB 4.38Å; F126-C146 HydrophobicContact CD2-CB 3.98Å; F126-C146 WeakPolarHBondContact CD2-O 3.27Å; F126-C146 HydrophobicContact CG-CB 4.31Å; N130-C146 CarbonylContact C-O 3.51Å; N130-C146 HydrophobicContact CB-CB 4.08Å; N130-C146 CarbonylContact O-C 3.59Å
147	N	97.3	Very high	95.2	Very high	8 Å²	8	39.7 Å²	39.7	4%	0.043	21%	0.206	C	C	.	.			trans	-103.2	22.3	-167.1	69.4	-23.3	0	0	0	114.4	C131 W145 Y195 Y196	C131-N147 HydrophobicContact CB-CB 4.23Å; C131-N147 VanDerWaalsContact SG-CA 3.57Å; W145-N147 HydrophobicContact CB-CB 4.36Å; W145-N147 HydrophobicContact CE3-CB 4.17Å; N147-Y195 CarbonylContact O-C 3.12Å; N147-Y195 VanDerWaalsContact O-CA 3.3Å; N147-Y195 WeakPolarHBondContact O-CA 3.3Å; N147-Y196 PolarHBondContact O-N 3.49Å
148	Q	98	Very high	95.3	Very high	26 Å²	26	42.1 Å²	42.1	12%	0.121	22%	0.223	C	C	.	.	B	Isolated β-bridge	trans	-69.2	136	176.6	-67.8	-160.4	29.6	0	0	111.1	P48 L125 F126 I194	P48-Q148 PolarHBondContact O-NE2 2.87Å; L125-Q148 HydrophobicContact CB-CB 4.46Å; L125-Q148 HydrophobicContact CD1-CB 4.24Å; L125-Q148 HydrophobicContact CD2-CB 3.97Å; L125-Q148 HydrophobicContact CG-CB 4.46Å; L125-Q148 PolarHBondContact N-O 2.7Å; F126-Q148 HydrophobicContact CE2-CB 4.29Å; Q148-I194 WeakPolarHBondContact CA-O 3.43Å
149	G	97	Very high	95.6	Very high	0 Å²	0	40.6 Å²	40.6	0%	0	21%	0.208	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-126.5	149.1	167.8	0	0	0	0	0	110.4	R47 W122 Y123 I194	R47-G149 PolarHBondContact NH1-O 3.14Å; R47-G149 PolarHBondContact NH2-O 2.96Å; W122-G149 VanDerWaalsContact CZ2-O 3.25Å; W122-G149 WeakPolarHBondContact CZ2-O 3.44Å; Y123-G149 VanDerWaalsContact O-CA 3.27Å; Y123-G149 WeakPolarHBondContact O-CA 3.49Å; G149-I194 PolarHBondContact N-O 3.01Å
150	A	96.8	Very high	95.6	Very high	6 Å²	6	40.1 Å²	40.1	5%	0.05	21%	0.209	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-149	160.9	-176	0	0	0	0	0	112.5	F60 W122 Y123 L125 N190	F60-A150 HydrophobicContact CE1-CB 4.1Å; F60-A150 HydrophobicContact CE2-CB 4.43Å; F60-A150 HydrophobicContact CZ-CB 3.69Å; F60-A150 WeakPolarHBondContact CZ-O 3.17Å; W122-A150 VanDerWaalsContact CA-O 3.29Å; W122-A150 WeakPolarHBondContact CA-O 3.38Å; Y123-A150 PolarHBondContact N-O 3.43Å; Y123-A150 VanDerWaalsContact N-O 3.08Å; Y123-A150 PolarHBondContact O-N 3.46Å; L125-A150 HydrophobicContact CD1-CB 3.56Å; A150-N190 VanDerWaalsContact CA-OD1 3.26Å; A150-N190 WeakPolarHBondContact CA-OD1 3.36Å; A150-N190 VanDerWaalsContact CB-OD1 3.25Å; A150-N190 WeakPolarHBondContact CB-OD1 3.42Å
151	A	96.5	Very high	95.6	Very high	11 Å²	11	40 Å²	40	9%	0.091	21%	0.207	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-71.4	138.6	171.2	0	0	0	0	0	110.2	E121 V186 N190 F221	E121-A151 CarbonylContact O-C 3.54Å; E121-A151 VanDerWaalsContact O-CA 3.29Å; E121-A151 WeakPolarHBondContact O-CA 3.19Å; A151-V186 HydrophobicContact CB-CG1 3.87Å; A151-N190 HydrophobicContact CB-CB 4.17Å; A151-N190 PolarHBondContact N-OD1 2.95Å; A151-F221 HydrophobicContact CB-CE2 4.36Å; A151-F221 HydrophobicContact CB-CZ 4.27Å
152	C	96.1	Very high	95.8	Very high	2 Å²	2	36.1 Å²	36.1	1%	0.014	19%	0.19	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-122.2	128.4	172.8	177.2	0	0	0	0	108.6	F60 C61 M120 E121 Y123	F60-C152 HydrophobicContact CE2-CB 4.47Å; F60-C152 HydrophobicContact CZ-CB 4.03Å; C61-C152 WeakPolarHBondContact CA-SG 3.25Å; C61-C152 HydrophobicContact CB-CB 3.7Å; C61-C152 WeakPolarHBondContact CB-SG 3.35Å; C61-C152 WeakPolarHBondContact SG-CA 3.49Å; C61-C152 WeakPolarHBondContact SG-CB 3.41Å; C61-C152 CovalentContact SG-SG 2.03Å; C61-C152 PolarHBondContact SG-SG 3.33Å; M120-C152 WeakPolarHBondContact CA-O 3.31Å; E121-C152 PolarHBondContact N-O 2.89Å; E121-C152 PolarHBondContact O-N 2.91Å; Y123-C152 HydrophobicContact CD1-CB 4.39Å; Y123-C152 HydrophobicContact CE1-CB 3.63Å
153	F	96	Very high	95.6	Very high	14 Å²	14	38.3 Å²	38.3	6%	0.061	20%	0.204	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-129.2	127.5	177.7	-179	-88.7	0	0	0	109.8	G64 D65 F70 P71 Y118 T119 M120 F179	G64-F153 WeakPolarHBondContact CA-O 3.2Å; D65-F153 PolarHBondContact N-O 2.73Å; F70-F153 HydrophobicContact CD1-CB 4.43Å; F70-F153 HydrophobicContact CD1-CD1 4.15Å; F70-F153 AromaticContact CD1-CD2 3.44Å; F70-F153 HydrophobicContact CD1-CD2 3.44Å; F70-F153 VanDerWaalsContact CD1-CD2 3.44Å; F70-F153 HydrophobicContact CD1-CE1 4.26Å; F70-F153 AromaticContact CD1-CE2 3.5Å; F70-F153 HydrophobicContact CD1-CE2 3.5Å; F70-F153 AromaticContact CD1-CG 3.73Å; F70-F153 HydrophobicContact CD1-CG 3.73Å; F70-F153 AromaticContact CD1-CZ 3.91Å; F70-F153 HydrophobicContact CD1-CZ 3.91Å; F70-F153 HydrophobicContact CE1-CB 3.9Å; F70-F153 HydrophobicContact CE1-CD1 4.38Å; F70-F153 AromaticContact CE1-CD2 3.08Å; F70-F153 HydrophobicContact CE1-CD2 3.08Å; F70-F153 AromaticContact CE1-CE2 3.56Å; F70-F153 HydrophobicContact CE1-CE2 3.56Å; F70-F153 AromaticContact CE1-CG 3.53Å; F70-F153 HydrophobicContact CE1-CG 3.53Å; F70-F153 HydrophobicContact CE1-CZ 4.39Å; F70-F153 HydrophobicContact CE2-CB 4.36Å; F70-F153 HydrophobicContact CG-CD2 4.48Å; F70-F153 HydrophobicContact CG-CG 4.39Å; F70-F153 HydrophobicContact CZ-CB 3.83Å; F70-F153 AromaticContact CZ-CD2 3.89Å; F70-F153 HydrophobicContact CZ-CD2 3.89Å; F70-F153 AromaticContact CZ-CG 3.99Å; F70-F153 HydrophobicContact CZ-CG 3.99Å; P71-F153 HydrophobicContact CG-CE1 3.96Å; P71-F153 HydrophobicContact CG-CZ 4.1Å; Y118-F153 AromaticContact CD1-CE1 3.59Å; Y118-F153 HydrophobicContact CD1-CE1 3.59Å; Y118-F153 HydrophobicContact CD1-CE2 4.5Å; Y118-F153 AromaticContact CD1-CZ 3.45Å; Y118-F153 HydrophobicContact CD1-CZ 3.45Å; Y118-F153 VanDerWaalsContact CD1-CZ 3.45Å; Y118-F153 HydrophobicContact CD2-CZ 4.05Å; Y118-F153 HydrophobicContact CE1-CE1 4.3Å; Y118-F153 HydrophobicContact CE1-CZ 4.32Å; Y118-F153 AromaticContact CG-CE1 3.97Å; Y118-F153 HydrophobicContact CG-CE1 3.97Å; Y118-F153 HydrophobicContact CG-CE2 4.06Å; Y118-F153 AromaticContact CG-CZ 3.31Å; Y118-F153 HydrophobicContact CG-CZ 3.31Å; T119-F153 WeakPolarHBondContact O-CA 3.43Å; M120-F153 HydrophobicContact CB-CD2 3.99Å; M120-F153 HydrophobicContact CG-CD2 4.19Å; F153-F179 HydrophobicContact CE2-CZ 4.22Å; F153-F179 HydrophobicContact CZ-CZ 4.2Å
154	F	95.6	Very high	95.2	Very high	38 Å²	38	43.8 Å²	43.8	17%	0.167	23%	0.229	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-145.7	158.6	-178.7	56.7	-87.1	0	0	0	112.1	Y118 T119 E121	Y118-F154 CarbonylContact C-O 3.53Å; Y118-F154 VanDerWaalsContact CA-O 3.27Å; Y118-F154 WeakPolarHBondContact CA-O 3.45Å; T119-F154 VanDerWaalsContact CB-CZ 3.49Å; T119-F154 HydrophobicContact CG2-CE1 3.95Å; T119-F154 HydrophobicContact CG2-CE2 4.1Å; T119-F154 HydrophobicContact CG2-CZ 3.51Å; T119-F154 PolarHBondContact N-O 3.43Å; T119-F154 PolarHBondContact O-N 3.47Å; E121-F154 HydrophobicContact CG-CE1 4.12Å
155	E	95.5	Very high	94.8	Very high	145 Å²	145	44.6 Å²	44.6	68%	0.678	24%	0.235	S	C	*	.	E	Extended strand (participates in β ladder)	trans	-76.7	141.6	175.9	-171.6	174.1	-168.6	0	0	111	Y118	Y118-E155 HydrophobicContact CD1-CB 4.19Å; Y118-E155 HydrophobicContact CD1-CG 4.37Å; Y118-E155 HydrophobicContact CE1-CB 4.28Å; Y118-E155 HydrophobicContact CE1-CG 4.17Å
156	G	96.2	Very high	94.4	Very high	24 Å²	24	44.4 Å²	44.4	25%	0.247	24%	0.242	C	C	.	.			trans	102.8	139.8	-176.7	0	0	0	0	0	113	N117 T119	N117-G156 PolarHBondContact O-N 3.21Å; N117-G156 WeakPolarHBondContact OD1-CA 3.47Å; N117-G156 PolarHBondContact OD1-N 3.44Å; T119-G156 WeakPolarHBondContact CB-O 3.29Å; T119-G156 PolarHBondContact N-O 2.9Å; T119-G156 PolarHBondContact OG1-O 3.47Å
157	I	97.4	Very high	94.3	Very high	20 Å²	20	46 Å²	46	10%	0.103	25%	0.252	C	S	.	.			trans	-112.1	119.3	156.2	-61	174.1	0	0	0	105.6	Y82 L84 N117 D159 L168	Y82-I157 HydrophobicContact CD2-CD1 4.14Å; Y82-I157 HydrophobicContact CE2-CD1 4.49Å; L84-I157 HydrophobicContact CD1-CG2 4.36Å; L84-I157 HydrophobicContact CD2-CG2 4.15Å; N117-I157 HydrophobicContact CB-CD1 3.97Å; N117-I157 HydrophobicContact CB-CG1 4.04Å; N117-I157 PolarHBondContact OD1-N 3.05Å; N117-I157 VanDerWaalsContact OD1-N 3.1Å; I157-D159 PolarHBondContact O-N 2.75Å; I157-D159 VanDerWaalsContact O-N 3.13Å; I157-L168 HydrophobicContact CG2-CD1 3.95Å
158	D	95.6	Very high	94.3	Very high	96 Å²	96	48.2 Å²	48.2	51%	0.513	26%	0.263	S	S	.	.			trans	-80.7	89.7	175	-174.9	-21	0	0	0	109.2	L160 H161 W162	D158-L160 PolarHBondContact O-N 3.47Å; D158-L160 VanDerWaalsContact O-N 3.16Å; D158-L160 PolarHBondContact OD1-N 2.91Å; D158-H161 HydrophobicContact CB-CB 3.83Å; D158-H161 PolarHBondContact O-N 3.18Å; D158-H161 VanDerWaalsContact O-N 3.14Å; D158-H161 PolarHBondContact OD1-N 3.3Å; D158-H161 VanDerWaalsContact OD1-N 3.13Å; D158-W162 PolarHBondContact O-N 3.22Å
159	D	94.3	Very high	94.2	Very high	96 Å²	96	48.2 Å²	48.2	51%	0.513	26%	0.263	S	S	.	.	H	α-helix	trans	-52.1	-39.2	-177	-71.5	8	0	0	0	112.4	I157 S163 L168	I157-D159 PolarHBondContact O-N 2.75Å; I157-D159 VanDerWaalsContact O-N 3.13Å; D159-S163 WeakPolarHBondContact O-CB 3.27Å; D159-S163 PolarHBondContact O-N 3.45Å; D159-S163 PolarHBondContact O-OG 2.83Å; D159-L168 HydrophobicContact CB-CD1 4.26Å
160	L	92.3	Very high	94.3	Very high	110 Å²	110	52.5 Å²	52.5	58%	0.576	28%	0.282	S	S	*	.	H	α-helix	trans	-67.6	-46.4	-178.2	-176.7	66.7	0	0	0	110.6	D158 W162 S163 Q164	D158-L160 PolarHBondContact O-N 3.47Å; D158-L160 VanDerWaalsContact O-N 3.16Å; D158-L160 PolarHBondContact OD1-N 2.91Å; L160-W162 VanDerWaalsContact C-N 3.3Å; L160-W162 PolarHBondContact O-N 3.32Å; L160-S163 PolarHBondContact O-N 2.82Å; L160-Q164 HydrophobicContact CD1-CB 4.15Å; L160-Q164 WeakPolarHBondContact O-CB 3.37Å; L160-Q164 PolarHBondContact O-N 2.87Å
161	H	92.2	Very high	94.3	Very high	59 Å²	59	52.3 Å²	52.3	27%	0.273	28%	0.28	S	S	.	.	H	α-helix	trans	-58	-40.4	179.3	177.8	47.4	0	0	0	113	T86 E90 D158	T86-H161 WeakPolarHBondContact CG2-CE1 3.47Å; T86-H161 WeakPolarHBondContact CG2-NE2 3.3Å; T86-H161 PolarHBondContact OG1-O 2.84Å; E90-H161 IonicContact OE2-CE1 3.62Å; E90-H161 IonicContact OE2-ND1 3.64Å; E90-H161 PolarHBondContact OE2-ND1 3.15Å; D158-H161 HydrophobicContact CB-CB 3.83Å; D158-H161 PolarHBondContact O-N 3.18Å; D158-H161 VanDerWaalsContact O-N 3.14Å; D158-H161 PolarHBondContact OD1-N 3.3Å; D158-H161 VanDerWaalsContact OD1-N 3.13Å
162	W	93.9	Very high	94.4	Very high	3 Å²	3	52.3 Å²	52.3	1%	0.011	28%	0.282	C	S	.	.	H	α-helix	trans	-87.7	-30	-177.5	-59	114.6	0	0	0	113.8	L84 T86 H104 A106 T119 E121 D158 L160 G166 T167 L168	L84-W162 HydrophobicContact CB-CD2 3.76Å; L84-W162 HydrophobicContact CB-CE3 3.7Å; L84-W162 HydrophobicContact CB-CG 4.26Å; L84-W162 HydrophobicContact CB-CH2 4.35Å; L84-W162 HydrophobicContact CB-CZ2 4.4Å; L84-W162 HydrophobicContact CB-CZ3 4Å; L84-W162 HydrophobicContact CD1-CD2 4.28Å; L84-W162 HydrophobicContact CD1-CG 4.47Å; L84-W162 HydrophobicContact CD1-CZ2 4.29Å; L84-W162 HydrophobicContact CD2-CB 4.24Å; L84-W162 HydrophobicContact CD2-CD2 4.36Å; L84-W162 HydrophobicContact CD2-CG 3.98Å; L84-W162 HydrophobicContact CG-CD2 4.35Å; L84-W162 HydrophobicContact CG-CG 4.46Å; T86-W162 HydrophobicContact CG2-CE3 3.76Å; T86-W162 HydrophobicContact CG2-CH2 4.2Å; T86-W162 HydrophobicContact CG2-CZ3 3.44Å; T86-W162 VanDerWaalsContact CG2-CZ3 3.44Å; H104-W162 AromaticContact CD2-CH2 3.95Å; A106-W162 HydrophobicContact CB-CH2 3.5Å; A106-W162 VanDerWaalsContact CB-CH2 3.5Å; A106-W162 HydrophobicContact CB-CZ2 3.96Å; A106-W162 HydrophobicContact CB-CZ3 4.1Å; T119-W162 HydrophobicContact CG2-CZ2 3.94Å; E121-W162 WeakPolarHBondContact OE1-CZ2 3.27Å; D158-W162 PolarHBondContact O-N 3.22Å; L160-W162 VanDerWaalsContact C-N 3.3Å; L160-W162 PolarHBondContact O-N 3.32Å; W162-G166 CarbonylContact O-C 3.52Å; W162-G166 VanDerWaalsContact O-CA 3.27Å; W162-G166 WeakPolarHBondContact O-CA 3.34Å; W162-T167 CarbonylContact O-C 3.58Å; W162-T167 PolarHBondContact O-N 3.44Å; W162-L168 HydrophobicContact CB-CB 3.99Å; W162-L168 HydrophobicContact CB-CD1 4.16Å; W162-L168 HydrophobicContact CB-CG 4.42Å
163	S	91.6	Very high	94.5	Very high	69 Å²	69	57.2 Å²	57.2	48%	0.483	31%	0.305	S	S	.	.	H	α-helix	trans	-96.8	-21.9	-173.5	68.9	0	0	0	0	114.5	D159 L160	D159-S163 WeakPolarHBondContact O-CB 3.27Å; D159-S163 PolarHBondContact O-N 3.45Å; D159-S163 PolarHBondContact O-OG 2.83Å; L160-S163 PolarHBondContact O-N 2.82Å
164	Q	87.8	Confident	94.6	Very high	119 Å²	119	56.8 Å²	56.8	56%	0.556	30%	0.303	S	S	*	.	S	Bend	trans	-67.8	-51	-173.3	-175	171.9	15.3	0	0	112.9	L160	L160-Q164 HydrophobicContact CD1-CB 4.15Å; L160-Q164 WeakPolarHBondContact O-CB 3.37Å; L160-Q164 PolarHBondContact O-N 2.87Å
165	N	86.4	Confident	94.8	Very high	59 Å²	59	57.5 Å²	57.5	32%	0.316	31%	0.31	S	S	.	.	S	Bend	trans	-125.6	16.2	-178.2	-61.3	-44.4	0	0	0	112.2	P87 E90	P87-N165 WeakPolarHBondContact CD-O 3.26Å; P87-N165 HydrophobicContact CG-CB 4.11Å; E90-N165 PolarHBondContact OE1-ND2 3.39Å
166	G	90	Very high	94.9	Very high	25 Å²	25	50.6 Å²	50.6	26%	0.258	28%	0.278	S	S	.	.	S	Bend	trans	-136.8	-149.4	-167.3	0	0	0	0	0	113.8	Q85 W162	Q85-G166 CarbonylContact O-C 3.59Å; Q85-G166 WeakPolarHBondContact O-CA 3.43Å; W162-G166 CarbonylContact O-C 3.52Å; W162-G166 VanDerWaalsContact O-CA 3.27Å; W162-G166 WeakPolarHBondContact O-CA 3.34Å
167	T	93.5	Very high	95	Very high	35 Å²	35	51.9 Å²	51.9	22%	0.215	28%	0.284	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-132.1	128	173.2	-60.1	0	0	0	0	110.2	L84 Q85 W162 E169	L84-T167 CarbonylContact C-O 3.52Å; L84-T167 WeakPolarHBondContact CA-O 3.24Å; Q85-T167 PolarHBondContact N-O 2.93Å; Q85-T167 PolarHBondContact O-N 3.09Å; W162-T167 CarbonylContact O-C 3.58Å; W162-T167 PolarHBondContact O-N 3.44Å; T167-E169 HydrophobicContact CG2-CB 3.92Å
168	L	97	Very high	95	Very high	55 Å²	55	52.6 Å²	52.6	29%	0.288	29%	0.286	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-122.9	103.6	163.3	-172.5	166.4	0	0	0	107	Y82 L84 I157 D159 W162	Y82-L168 HydrophobicContact CD1-CD2 3.91Å; Y82-L168 HydrophobicContact CE1-CD2 4.33Å; L84-L168 HydrophobicContact CD2-CB 4.3Å; L84-L168 HydrophobicContact CD2-CD1 4.4Å; L84-L168 HydrophobicContact CD2-CG 3.79Å; I157-L168 HydrophobicContact CG2-CD1 3.95Å; D159-L168 HydrophobicContact CB-CD1 4.26Å; W162-L168 HydrophobicContact CB-CB 3.99Å; W162-L168 HydrophobicContact CB-CD1 4.16Å; W162-L168 HydrophobicContact CB-CG 4.42Å
169	E	97.4	Very high	95.2	Very high	26 Å²	26	48 Å²	48	12%	0.121	26%	0.262	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-132.4	127.4	-176.4	-179.5	173.1	-176.2	0	0	111.2	Y82 R83 T167 I171 S238 R239 S240	Y82-E169 CarbonylContact C-O 3.58Å; Y82-E169 WeakPolarHBondContact CA-O 3.32Å; R83-E169 PolarHBondContact N-O 3.32Å; R83-E169 PolarHBondContact O-N 3.32Å; T167-E169 HydrophobicContact CG2-CB 3.92Å; E169-I171 HydrophobicContact CG-CG2 4.16Å; E169-I171 PolarHBondContact O-N 2.85Å; E169-S238 PolarHBondContact OE1-OG 2.79Å; E169-S238 PolarHBondContact OE2-OG 3.48Å; E169-R239 WeakPolarHBondContact OE1-CB 3.46Å; E169-R239 PolarHBondContact OE1-N 2.96Å; E169-S240 PolarHBondContact OE2-OG 2.86Å
170	K	97.8	Very high	95.4	Very high	90 Å²	90	44.6 Å²	44.6	39%	0.391	24%	0.244	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-71.7	115.8	168.6	-178.7	173.4	171.6	167.6	0	109.3	S80 Y82 E173	S80-K170 WeakPolarHBondContact OG-CE 3.43Å; S80-K170 PolarHBondContact OG-NZ 2.81Å; Y82-K170 HydrophobicContact CD1-CB 3.84Å; Y82-K170 HydrophobicContact CE1-CB 3.68Å; Y82-K170 HydrophobicContact CE1-CG 4.29Å; K170-E173 WeakPolarHBondContact CE-OE1 3.41Å; K170-E173 IonicContact NZ-OE1 3.94Å; K170-E173 PolarHBondContact NZ-OE1 3.38Å
171	I	98.1	Very high	95.6	Very high	2 Å²	2	40.5 Å²	40.5	1%	0.01	23%	0.225	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-105.7	-8.9	-176.7	58.5	165.6	0	0	0	113.4	V81 R83 E169 Y226 L236 S237 L336	V81-I171 HydrophobicContact CB-CG1 4.46Å; V81-I171 HydrophobicContact CG1-CD1 4.28Å; V81-I171 HydrophobicContact CG1-CG1 4.18Å; V81-I171 WeakPolarHBondContact O-CG1 3.48Å; V81-I171 PolarHBondContact O-N 3.06Å; R83-I171 HydrophobicContact CB-CD1 4.32Å; R83-I171 HydrophobicContact CB-CG2 3.72Å; E169-I171 HydrophobicContact CG-CG2 4.16Å; E169-I171 PolarHBondContact O-N 2.85Å; I171-Y226 HydrophobicContact CD1-CD1 4.31Å; I171-Y226 HydrophobicContact CD1-CE1 3.64Å; I171-Y226 HydrophobicContact CD1-CE2 3.96Å; I171-Y226 VanDerWaalsContact CD1-CZ 3.45Å; I171-L236 HydrophobicContact CD1-CD2 4.44Å; I171-L236 HydrophobicContact CG1-CD2 4.48Å; I171-L236 CarbonylContact O-C 3.56Å; I171-L236 WeakPolarHBondContact O-CA 3.47Å; I171-S237 CarbonylContact C-O 3.55Å; I171-S237 VanDerWaalsContact CA-O 3.31Å; I171-S237 WeakPolarHBondContact CA-O 3.31Å; I171-S237 PolarHBondContact O-N 3.47Å; I171-S237 VanDerWaalsContact O-O 3.07Å; I171-L336 HydrophobicContact CB-CD1 4.24Å; I171-L336 HydrophobicContact CD1-CD1 4.42Å; I171-L336 HydrophobicContact CD1-CD2 4.24Å; I171-L336 HydrophobicContact CG2-CD1 4.36Å
172	G	97.8	Very high	95.9	Very high	12 Å²	12	37.7 Å²	37.7	12%	0.124	21%	0.212	C	C	.	.	E	Extended strand (participates in β ladder)	trans	176.6	-172.4	178.5	0	0	0	0	0	113.8	V81	V81-G172 PolarHBondContact N-O 3.17Å; V81-G172 PolarHBondContact O-N 2.91Å
173	E	98.3	Very high	96.1	Very high	105 Å²	105	37.8 Å²	37.8	49%	0.491	21%	0.214	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-138.5	146.7	174.6	-66.6	-179.9	163.9	0	0	109.3	V78 V79 K170	V78-E173 HydrophobicContact CG1-CB 4.09Å; V78-E173 HydrophobicContact CG1-CG 4.18Å; V79-E173 CarbonylContact O-C 3.56Å; V79-E173 WeakPolarHBondContact O-CA 3.48Å; K170-E173 WeakPolarHBondContact CE-OE1 3.41Å; K170-E173 IonicContact NZ-OE1 3.94Å; K170-E173 PolarHBondContact NZ-OE1 3.38Å
174	V	98.5	Very high	96.3	Very high	5 Å²	5	41.9 Å²	41.9	3%	0.03	22%	0.219	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-133.2	159.3	173.6	-60.5	0	0	0	0	110	V79 V81 Q178 F179 L229 A234	V79-V174 HydrophobicContact CB-CG2 3.91Å; V79-V174 HydrophobicContact CG1-CG2 4.48Å; V79-V174 PolarHBondContact N-O 2.8Å; V79-V174 PolarHBondContact O-N 3.1Å; V81-V174 HydrophobicContact CG2-CG1 4Å; V81-V174 HydrophobicContact CG2-CG2 4.01Å; V174-Q178 HydrophobicContact CB-CB 4.05Å; V174-F179 HydrophobicContact CG2-CB 4.35Å; V174-L229 HydrophobicContact CG1-CD2 4.26Å; V174-A234 HydrophobicContact CG1-CB 3.49Å; V174-A234 VanDerWaalsContact CG1-CB 3.49Å
175	T	98.4	Very high	96.8	Very high	52 Å²	52	38.5 Å²	38.5	32%	0.319	20%	0.201	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-75.5	157.1	170	63.5	0	0	0	0	110.5	D77 S177 Q178 F179	D77-T175 CarbonylContact O-C 3.52Å; D77-T175 VanDerWaalsContact O-CA 3.27Å; D77-T175 WeakPolarHBondContact O-CA 3.43Å; T175-S177 PolarHBondContact O-N 3.39Å; T175-S177 PolarHBondContact OG1-OG 3.27Å; T175-Q178 PolarHBondContact O-N 2.95Å; T175-Q178 VanDerWaalsContact O-N 3.09Å; T175-Q178 WeakPolarHBondContact OG1-CG 3.48Å; T175-Q178 PolarHBondContact OG1-N 3.03Å; T175-Q178 PolarHBondContact OG1-OE1 2.86Å; T175-Q178 VanDerWaalsContact OG1-OE1 3.1Å; T175-F179 PolarHBondContact O-N 3.47Å
176	G	98.3	Very high	97.3	Very high	0 Å²	0	35.8 Å²	35.8	0%	0	19%	0.186	C	C	.	.	H	α-helix	trans	-56.4	-33.9	172	0	0	0	0	0	112.7	R74 D75 D77 Q178 F179 N180	R74-G176 WeakPolarHBondContact O-CA 3.5Å; D75-G176 PolarHBondContact O-N 3.16Å; D77-G176 PolarHBondContact O-N 3.46Å; G176-Q178 PolarHBondContact O-N 3.47Å; G176-F179 PolarHBondContact O-N 3.01Å; G176-N180 WeakPolarHBondContact O-CB 3.49Å; G176-N180 PolarHBondContact O-N 3.19Å; G176-N180 PolarHBondContact O-ND2 2.91Å
177	S	98.3	Very high	97.5	Very high	52 Å²	52	37.8 Å²	37.8	36%	0.364	19%	0.189	S	C	.	.	H	α-helix	trans	-63.8	-40.7	176.3	73.3	0	0	0	0	112.8	D75 T175 A181	D75-S177 PolarHBondContact O-N 3.29Å; T175-S177 PolarHBondContact O-N 3.39Å; T175-S177 PolarHBondContact OG1-OG 3.27Å; S177-A181 WeakPolarHBondContact O-CB 3.35Å; S177-A181 PolarHBondContact O-N 3.04Å
178	Q	98.4	Very high	97.6	Very high	35 Å²	35	40.8 Å²	40.8	16%	0.164	20%	0.204	C	C	.	.	H	α-helix	trans	-68.3	-41.4	174.9	-72.6	166.3	-44.9	0	0	111	V174 T175 G176 A181 M182 L232	V174-Q178 HydrophobicContact CB-CB 4.05Å; T175-Q178 PolarHBondContact O-N 2.95Å; T175-Q178 VanDerWaalsContact O-N 3.09Å; T175-Q178 WeakPolarHBondContact OG1-CG 3.48Å; T175-Q178 PolarHBondContact OG1-N 3.03Å; T175-Q178 PolarHBondContact OG1-OE1 2.86Å; T175-Q178 VanDerWaalsContact OG1-OE1 3.1Å; G176-Q178 PolarHBondContact O-N 3.47Å; Q178-A181 PolarHBondContact O-N 2.82Å; Q178-M182 WeakPolarHBondContact O-CB 3.46Å; Q178-M182 PolarHBondContact O-N 2.96Å; Q178-L232 HydrophobicContact CG-CB 4.3Å; Q178-L232 PolarHBondContact NE2-O 2.82Å
179	F	98.4	Very high	97.6	Very high	0 Å²	0	38.2 Å²	38.2	0%	0	19%	0.19	C	C	.	.	H	α-helix	trans	-58.4	-50	173.8	176.3	-87.8	0	0	0	111.4	F70 I73 V79 F109 F153 V174 T175 G176 A181 M182 A183	F70-F179 HydrophobicContact CD1-CZ 4.19Å; I73-F179 HydrophobicContact CB-CD1 4.08Å; I73-F179 HydrophobicContact CD1-CB 4.46Å; I73-F179 HydrophobicContact CD1-CD1 3.42Å; I73-F179 VanDerWaalsContact CD1-CD1 3.42Å; I73-F179 HydrophobicContact CD1-CD2 4.09Å; I73-F179 HydrophobicContact CD1-CE1 3.53Å; I73-F179 HydrophobicContact CD1-CE2 4.17Å; I73-F179 HydrophobicContact CD1-CG 3.72Å; I73-F179 HydrophobicContact CD1-CZ 3.91Å; I73-F179 HydrophobicContact CG1-CD1 3.65Å; I73-F179 HydrophobicContact CG1-CE1 3.75Å; I73-F179 HydrophobicContact CG1-CG 4.38Å; V79-F179 HydrophobicContact CG1-CD2 4.17Å; V79-F179 HydrophobicContact CG2-CB 4.31Å; F109-F179 HydrophobicContact CB-CE2 4.02Å; F109-F179 AromaticContact CD1-CD2 3.84Å; F109-F179 HydrophobicContact CD1-CD2 3.84Å; F109-F179 AromaticContact CD1-CE2 3.89Å; F109-F179 HydrophobicContact CD1-CE2 3.89Å; F109-F179 AromaticContact CD2-CE2 3.94Å; F109-F179 HydrophobicContact CD2-CE2 3.94Å; F109-F179 HydrophobicContact CE1-CD2 4.18Å; F109-F179 HydrophobicContact CE1-CE2 4.33Å; F109-F179 HydrophobicContact CE2-CE2 4.37Å; F109-F179 HydrophobicContact CG-CD2 4.1Å; F109-F179 AromaticContact CG-CE2 3.67Å; F109-F179 HydrophobicContact CG-CE2 3.67Å; F153-F179 HydrophobicContact CE2-CZ 4.22Å; F153-F179 HydrophobicContact CZ-CZ 4.2Å; V174-F179 HydrophobicContact CG2-CB 4.35Å; T175-F179 PolarHBondContact O-N 3.47Å; G176-F179 PolarHBondContact O-N 3.01Å; F179-A181 VanDerWaalsContact C-N 3.28Å; F179-A181 PolarHBondContact O-N 3.15Å; F179-M182 HydrophobicContact CD2-CE 3.8Å; F179-M182 HydrophobicContact CE2-CE 3.92Å; F179-M182 HydrophobicContact CG-CE 4.49Å; F179-M182 PolarHBondContact O-N 2.78Å; F179-M182 VanDerWaalsContact O-N 3.17Å; F179-A183 WeakPolarHBondContact O-CB 3.09Å; F179-A183 PolarHBondContact O-N 3.12Å
180	N	98.1	Very high	97.5	Very high	24 Å²	24	38.5 Å²	38.5	13%	0.128	19%	0.193	C	C	.	.	H	α-helix	trans	-63.3	-33.2	179.6	-65.7	-26.8	0	0	0	112.5	I73 D75 G176 R184	I73-N180 PolarHBondContact N-OD1 3.1Å; I73-N180 PolarHBondContact O-ND2 2.68Å; D75-N180 PolarHBondContact OD1-ND2 3.05Å; G176-N180 WeakPolarHBondContact O-CB 3.49Å; G176-N180 PolarHBondContact O-N 3.19Å; G176-N180 PolarHBondContact O-ND2 2.91Å; N180-R184 WeakPolarHBondContact O-CG 3.31Å; N180-R184 PolarHBondContact O-N 2.89Å; N180-R184 PolarHBondContact O-NE 3.29Å
181	A	98.4	Very high	97.3	Very high	23 Å²	23	39.5 Å²	39.5	19%	0.19	20%	0.199	C	C	.	.	H	α-helix	trans	-70.6	-41.9	174.2	0	0	0	0	0	112	S177 Q178 F179 W185 L232	S177-A181 WeakPolarHBondContact O-CB 3.35Å; S177-A181 PolarHBondContact O-N 3.04Å; Q178-A181 PolarHBondContact O-N 2.82Å; F179-A181 VanDerWaalsContact C-N 3.28Å; F179-A181 PolarHBondContact O-N 3.15Å; A181-W185 PolarHBondContact O-N 2.93Å; A181-W185 VanDerWaalsContact O-N 3.16Å; A181-L232 HydrophobicContact CB-CD1 4Å; A181-L232 HydrophobicContact CB-CD2 3.93Å
182	M	98.2	Very high	97.3	Very high	0 Å²	0	40.8 Å²	40.8	0%	0	21%	0.207	C	C	.	.	H	α-helix	trans	-62.9	-44.7	173.5	177	-81	-59.8	0	0	111.3	F109 M120 Q178 F179 R184 W185 V186 T225 L229 L232	F109-M182 HydrophobicContact CE1-CE 3.81Å; F109-M182 HydrophobicContact CE2-CE 3.99Å; F109-M182 HydrophobicContact CZ-CE 3.4Å; F109-M182 HydrophobicContact CZ-SD 4.46Å; M120-M182 HydrophobicContact CE-CE 4.5Å; M120-M182 HydrophobicContact CE-SD 3.93Å; M120-M182 HydrophobicContact SD-SD 4.31Å; Q178-M182 WeakPolarHBondContact O-CB 3.46Å; Q178-M182 PolarHBondContact O-N 2.96Å; F179-M182 HydrophobicContact CD2-CE 3.8Å; F179-M182 HydrophobicContact CE2-CE 3.92Å; F179-M182 HydrophobicContact CG-CE 4.49Å; F179-M182 PolarHBondContact O-N 2.78Å; F179-M182 VanDerWaalsContact O-N 3.17Å; M182-R184 VanDerWaalsContact C-N 3.33Å; M182-R184 PolarHBondContact O-N 2.9Å; M182-W185 CarbonylContact O-C 3.52Å; M182-W185 WeakPolarHBondContact O-CA 3.44Å; M182-W185 WeakPolarHBondContact O-CB 3.49Å; M182-W185 PolarHBondContact O-N 3.37Å; M182-V186 HydrophobicContact CG-CG2 4.45Å; M182-V186 WeakPolarHBondContact O-CG2 3.37Å; M182-V186 PolarHBondContact O-N 2.49Å; M182-V186 HydrophobicContact SD-CG2 3.48Å; M182-V186 WeakPolarHBondContact SD-CG2 3.33Å; M182-T225 HydrophobicContact CG-CG2 4.01Å; M182-T225 HydrophobicContact SD-CG2 3.97Å; M182-L229 HydrophobicContact CB-CD2 3.74Å; M182-L229 HydrophobicContact CG-CD2 3.71Å; M182-L229 HydrophobicContact CG-CG 4.16Å; M182-L232 HydrophobicContact CB-CD1 3.97Å
183	A	97.2	Very high	97.2	Very high	5 Å²	5	40.2 Å²	40.2	4%	0.041	20%	0.201	C	C	.	.	H	α-helix	trans	-56.9	-44.4	178.2	0	0	0	0	0	112.4	F70 F179 V186 Q187	F70-A183 HydrophobicContact CB-CB 3.63Å; F70-A183 HydrophobicContact CD1-CB 3.83Å; F70-A183 HydrophobicContact CD2-CB 4.11Å; F70-A183 HydrophobicContact CG-CB 3.58Å; F179-A183 WeakPolarHBondContact O-CB 3.09Å; F179-A183 PolarHBondContact O-N 3.12Å; A183-V186 PolarHBondContact O-N 2.93Å; A183-Q187 WeakPolarHBondContact O-CG 2.92Å; A183-Q187 PolarHBondContact O-N 3.13Å
184	R	96.8	Very high	97.2	Very high	156 Å²	156	35.5 Å²	35.5	59%	0.589	18%	0.179	S	C	*	.	H	α-helix	trans	-61.3	-43.7	173.6	-75.1	-178.7	-72.7	165.8	-3.1	112.1	N180 M182 V186 Q187 D188	N180-R184 WeakPolarHBondContact O-CG 3.31Å; N180-R184 PolarHBondContact O-N 2.89Å; N180-R184 PolarHBondContact O-NE 3.29Å; M182-R184 VanDerWaalsContact C-N 3.33Å; M182-R184 PolarHBondContact O-N 2.9Å; R184-V186 VanDerWaalsContact C-N 3.31Å; R184-V186 PolarHBondContact O-N 3.02Å; R184-Q187 WeakPolarHBondContact O-CB 3.26Å; R184-Q187 PolarHBondContact O-N 2.96Å; R184-D188 PolarHBondContact O-N 2.85Å; R184-D188 VanDerWaalsContact O-N 3.15Å
185	W	97.5	Very high	97.1	Very high	48 Å²	48	35.3 Å²	35.3	18%	0.182	18%	0.178	C	C	.	.	H	α-helix	trans	-62.3	-37.5	175	169	82.5	0	0	0	112.4	A181 M182 Q187 D188 D189 R224 T225 K228	A181-W185 PolarHBondContact O-N 2.93Å; A181-W185 VanDerWaalsContact O-N 3.16Å; M182-W185 CarbonylContact O-C 3.52Å; M182-W185 WeakPolarHBondContact O-CA 3.44Å; M182-W185 WeakPolarHBondContact O-CB 3.49Å; M182-W185 PolarHBondContact O-N 3.37Å; W185-Q187 VanDerWaalsContact C-N 3.31Å; W185-Q187 PolarHBondContact O-N 3.04Å; W185-D188 PolarHBondContact O-N 2.97Å; W185-D189 HydrophobicContact CH2-CB 4.34Å; W185-D189 HydrophobicContact CZ2-CB 4.23Å; W185-D189 WeakPolarHBondContact CZ2-OD1 3.22Å; W185-D189 WeakPolarHBondContact O-CB 3.34Å; W185-D189 PolarHBondContact O-N 3.21Å; W185-R224 HydrophobicContact CH2-CB 3.76Å; W185-R224 HydrophobicContact CZ2-CB 4.11Å; W185-T225 HydrophobicContact CZ3-CG2 4.5Å; W185-K228 HydrophobicContact CB-CG 4.23Å; W185-K228 HydrophobicContact CD2-CB 4.07Å; W185-K228 HydrophobicContact CD2-CD 4.14Å; W185-K228 HydrophobicContact CD2-CG 3.61Å; W185-K228 HydrophobicContact CE3-CB 4.01Å; W185-K228 HydrophobicContact CE3-CG 3.81Å; W185-K228 HydrophobicContact CG-CD 3.95Å; W185-K228 HydrophobicContact CG-CG 3.77Å; W185-K228 HydrophobicContact CZ3-CB 4.23Å
186	V	97.1	Very high	97.1	Very high	1 Å²	1	33.8 Å²	33.8	1%	0.006	17%	0.166	C	C	.	.	H	α-helix	trans	-64.4	-37.6	175.6	173.1	0	0	0	0	111	F70 M120 A151 M182 A183 R184 D189 N190 F221	F70-V186 HydrophobicContact CE2-CB 4.22Å; F70-V186 HydrophobicContact CE2-CG1 3.9Å; F70-V186 HydrophobicContact CZ-CB 4.06Å; F70-V186 HydrophobicContact CZ-CG1 3.64Å; M120-V186 HydrophobicContact CE-CG2 4.06Å; M120-V186 HydrophobicContact SD-CG1 4.1Å; M120-V186 HydrophobicContact SD-CG2 3.9Å; A151-V186 HydrophobicContact CB-CG1 3.87Å; M182-V186 HydrophobicContact CG-CG2 4.45Å; M182-V186 WeakPolarHBondContact O-CG2 3.37Å; M182-V186 PolarHBondContact O-N 2.49Å; M182-V186 HydrophobicContact SD-CG2 3.48Å; M182-V186 WeakPolarHBondContact SD-CG2 3.33Å; A183-V186 PolarHBondContact O-N 2.93Å; R184-V186 VanDerWaalsContact C-N 3.31Å; R184-V186 PolarHBondContact O-N 3.02Å; V186-D189 PolarHBondContact O-N 3.04Å; V186-N190 WeakPolarHBondContact O-CB 3.44Å; V186-N190 PolarHBondContact O-N 3.06Å; V186-F221 HydrophobicContact CG1-CE2 4.17Å; V186-F221 HydrophobicContact CG1-CZ 4.08Å; V186-F221 HydrophobicContact CG2-CE2 4.49Å; V186-F221 HydrophobicContact CG2-CZ 4.35Å
187	Q	94.6	Very high	97.1	Very high	68 Å²	68	34.1 Å²	34.1	32%	0.318	17%	0.168	S	C	.	.	H	α-helix	trans	-60.9	-47.5	174.4	-68.1	179.3	-44.8	0	0	111	G68 F70 A183 R184 W185 D189 N190 E191	G68-Q187 PolarHBondContact O-NE2 3.27Å; F70-Q187 HydrophobicContact CD2-CG 4.27Å; F70-Q187 HydrophobicContact CE2-CG 4.4Å; A183-Q187 WeakPolarHBondContact O-CG 2.92Å; A183-Q187 PolarHBondContact O-N 3.13Å; R184-Q187 WeakPolarHBondContact O-CB 3.26Å; R184-Q187 PolarHBondContact O-N 2.96Å; W185-Q187 VanDerWaalsContact C-N 3.31Å; W185-Q187 PolarHBondContact O-N 3.04Å; Q187-D189 PolarHBondContact O-N 2.82Å; Q187-N190 PolarHBondContact O-N 3.45Å; Q187-E191 WeakPolarHBondContact O-CG 3.3Å; Q187-E191 PolarHBondContact O-N 3.21Å
188	D	95.3	Very high	97.1	Very high	97 Å²	97	32 Å²	32	52%	0.519	15%	0.153	S	C	.	.	H	α-helix	trans	-62.1	-40.6	174.9	-61.2	-19.5	0	0	0	112.1	R184 W185 N190 E191 T192	R184-D188 PolarHBondContact O-N 2.85Å; R184-D188 VanDerWaalsContact O-N 3.15Å; W185-D188 PolarHBondContact O-N 2.97Å; D188-N190 VanDerWaalsContact C-N 3.31Å; D188-N190 PolarHBondContact O-N 2.79Å; D188-E191 PolarHBondContact O-N 2.95Å; D188-T192 WeakPolarHBondContact O-CB 3.27Å; D188-T192 VanDerWaalsContact O-CG2 3.31Å; D188-T192 WeakPolarHBondContact O-CG2 3.49Å; D188-T192 PolarHBondContact O-N 2.93Å; D188-T192 PolarHBondContact O-OG1 3.43Å
189	D	96.4	Very high	97	Very high	2 Å²	2	31.7 Å²	31.7	1%	0.011	15%	0.15	C	C	.	.	H	α-helix	trans	-61	-41.3	175.2	-164.5	86.8	0	0	0	111.2	R43 W185 V186 Q187 T192 G193 Y216 R224	R43-D189 IonicContact CZ-OD1 3.89Å; R43-D189 IonicContact NH1-OD1 3.29Å; R43-D189 IonicContact NH2-OD1 3.54Å; R43-D189 PolarHBondContact NH2-OD1 3.32Å; R43-D189 IonicContact NH2-OD2 3.09Å; W185-D189 HydrophobicContact CH2-CB 4.34Å; W185-D189 HydrophobicContact CZ2-CB 4.23Å; W185-D189 WeakPolarHBondContact CZ2-OD1 3.22Å; W185-D189 WeakPolarHBondContact O-CB 3.34Å; W185-D189 PolarHBondContact O-N 3.21Å; V186-D189 PolarHBondContact O-N 3.04Å; Q187-D189 PolarHBondContact O-N 2.82Å; D189-T192 PolarHBondContact O-N 3.2Å; D189-G193 WeakPolarHBondContact O-CA 3.13Å; D189-G193 PolarHBondContact O-N 3.27Å; D189-Y216 PolarHBondContact OD2-OH 3.13Å; D189-R224 IonicContact OD1-NE 2.82Å; D189-R224 IonicContact OD2-NE 3.79Å; D189-R224 IonicContact OD2-NH2 3.32Å
190	N	95.2	Very high	97	Very high	32 Å²	32	31.8 Å²	31.8	17%	0.171	15%	0.15	C	C	.	.	H	α-helix	trans	-73.7	-26.2	-177.3	-164	31.5	0	0	0	113.2	R47 A150 A151 V186 Q187 D188	R47-N190 VanDerWaalsContact CZ-O 3.32Å; R47-N190 PolarHBondContact NE-O 3.11Å; R47-N190 VanDerWaalsContact NE-O 3.11Å; R47-N190 PolarHBondContact NH2-O 2.74Å; R47-N190 PolarHBondContact NH2-OD1 2.81Å; A150-N190 VanDerWaalsContact CA-OD1 3.26Å; A150-N190 WeakPolarHBondContact CA-OD1 3.36Å; A150-N190 VanDerWaalsContact CB-OD1 3.25Å; A150-N190 WeakPolarHBondContact CB-OD1 3.42Å; A151-N190 HydrophobicContact CB-CB 4.17Å; A151-N190 PolarHBondContact N-OD1 2.95Å; V186-N190 WeakPolarHBondContact O-CB 3.44Å; V186-N190 PolarHBondContact O-N 3.06Å; Q187-N190 PolarHBondContact O-N 3.45Å; D188-N190 VanDerWaalsContact C-N 3.31Å; D188-N190 PolarHBondContact O-N 2.79Å
191	E	94.9	Very high	97	Very high	110 Å²	110	30.6 Å²	30.6	51%	0.514	14%	0.144	S	C	.	.	H	α-helix	trans	-81.7	-28.8	175.1	-72.2	-178.6	179.5	0	0	112.5	Q46 R47 Q187 D188 I194	Q46-E191 CarbonylContact C-O 3.43Å; Q46-E191 VanDerWaalsContact C-O 3.23Å; Q46-E191 WeakPolarHBondContact CA-O 3.4Å; R47-E191 PolarHBondContact N-O 3.31Å; Q187-E191 WeakPolarHBondContact O-CG 3.3Å; Q187-E191 PolarHBondContact O-N 3.21Å; D188-E191 PolarHBondContact O-N 2.95Å; E191-I194 VanDerWaalsContact O-CG2 3.27Å; E191-I194 WeakPolarHBondContact O-CG2 3.46Å
192	T	96.4	Very high	97	Very high	30 Å²	30	30.8 Å²	30.8	18%	0.184	14%	0.14	C	C	.	.	H	α-helix	trans	-107.2	-27.4	-170.1	61.9	0	0	0	0	114	R43 F44 D188 D189	R43-T192 WeakPolarHBondContact CA-O 3.18Å; R43-T192 PolarHBondContact NE-OG1 3.33Å; R43-T192 PolarHBondContact NH1-OG1 2.85Å; F44-T192 PolarHBondContact N-O 2.88Å; F44-T192 VanDerWaalsContact O-CA 3.3Å; F44-T192 WeakPolarHBondContact O-CA 3.38Å; F44-T192 VanDerWaalsContact O-CB 3.25Å; F44-T192 WeakPolarHBondContact O-CB 3.46Å; F44-T192 VanDerWaalsContact O-CG2 3.25Å; F44-T192 WeakPolarHBondContact O-CG2 3.46Å; D188-T192 WeakPolarHBondContact O-CB 3.27Å; D188-T192 VanDerWaalsContact O-CG2 3.31Å; D188-T192 WeakPolarHBondContact O-CG2 3.49Å; D188-T192 PolarHBondContact O-N 2.93Å; D188-T192 PolarHBondContact O-OG1 3.43Å; D189-T192 PolarHBondContact O-N 3.2Å
193	G	97.1	Very high	97	Very high	0 Å²	0	31.3 Å²	31.3	0%	0	14%	0.144	C	C	.	.			trans	-97	85	173.4	0	0	0	0	0	111.9	R47 D189	R47-G193 PolarHBondContact NH2-O 2.74Å; D189-G193 WeakPolarHBondContact O-CA 3.13Å; D189-G193 PolarHBondContact O-N 3.27Å
194	I	97	Very high	97	Very high	5 Å²	5	34.2 Å²	34.2	3%	0.026	16%	0.159	C	C	.	.			trans	-99.7	-19.1	-158.5	67.3	170.4	0	0	0	115	Y41 F44 R47 P48 Q148 G149 E191 F315	Y41-I194 PolarHBondContact OH-N 3.29Å; F44-I194 HydrophobicContact CB-CD1 3.99Å; F44-I194 HydrophobicContact CB-CG2 4.47Å; F44-I194 HydrophobicContact CD1-CD1 4Å; F44-I194 HydrophobicContact CD2-CD1 3.42Å; F44-I194 VanDerWaalsContact CD2-CD1 3.42Å; F44-I194 HydrophobicContact CD2-CG1 3.51Å; F44-I194 HydrophobicContact CE1-CD1 4.4Å; F44-I194 HydrophobicContact CE2-CD1 3.89Å; F44-I194 HydrophobicContact CE2-CG1 3.97Å; F44-I194 HydrophobicContact CG-CD1 3.5Å; F44-I194 HydrophobicContact CG-CG1 4.08Å; F44-I194 HydrophobicContact CZ-CD1 4.37Å; R47-I194 HydrophobicContact CB-CG2 3.84Å; R47-I194 HydrophobicContact CG-CB 4.42Å; R47-I194 HydrophobicContact CG-CG2 4.22Å; R47-I194 PolarHBondContact NH1-O 3.4Å; P48-I194 HydrophobicContact CG-CD1 4.31Å; Q148-I194 WeakPolarHBondContact CA-O 3.43Å; G149-I194 PolarHBondContact N-O 3.01Å; E191-I194 VanDerWaalsContact O-CG2 3.27Å; E191-I194 WeakPolarHBondContact O-CG2 3.46Å; I194-F315 HydrophobicContact CD1-CZ 4.46Å
195	Y	98.1	Very high	96.8	Very high	2 Å²	2	30.1 Å²	30.1	1%	0.008	15%	0.152	C	C	.	.	B	Isolated β-bridge	trans	-120.8	143.1	-176.3	79.3	-88	0	0	0	111.8	Y41 F44 N147 E197 Y216 N314 F315	Y41-Y195 AromaticContact CD2-CE1 3.82Å; Y41-Y195 HydrophobicContact CD2-CE1 3.82Å; Y41-Y195 HydrophobicContact CD2-CE2 4.21Å; Y41-Y195 AromaticContact CD2-CZ 3.52Å; Y41-Y195 VanDerWaalsContact CD2-OH 3.27Å; Y41-Y195 WeakPolarHBondContact CD2-OH 3.25Å; Y41-Y195 HydrophobicContact CE1-CD1 4.37Å; Y41-Y195 AromaticContact CE1-CE1 3.97Å; Y41-Y195 HydrophobicContact CE1-CE1 3.97Å; Y41-Y195 AromaticContact CE2-CD1 3.68Å; Y41-Y195 HydrophobicContact CE2-CD1 3.68Å; Y41-Y195 HydrophobicContact CE2-CD2 4.08Å; Y41-Y195 AromaticContact CE2-CE1 3.17Å; Y41-Y195 HydrophobicContact CE2-CE1 3.17Å; Y41-Y195 AromaticContact CE2-CE2 3.64Å; Y41-Y195 HydrophobicContact CE2-CE2 3.64Å; Y41-Y195 HydrophobicContact CE2-CG 4.1Å; Y41-Y195 AromaticContact CE2-CZ 3.14Å; Y41-Y195 WeakPolarHBondContact CE2-OH 3.29Å; Y41-Y195 HydrophobicContact CG-CE1 4.47Å; Y41-Y195 AromaticContact CZ-CD1 3.47Å; Y41-Y195 VanDerWaalsContact CZ-CD1 3.47Å; Y41-Y195 AromaticContact CZ-CE1 3.27Å; Y41-Y195 AromaticContact CZ-CZ 3.8Å; Y41-Y195 WeakPolarHBondContact OH-CD1 3.25Å; Y41-Y195 WeakPolarHBondContact OH-CE1 3.26Å; Y41-Y195 PolarHBondContact OH-N 2.88Å; Y41-Y195 PolarHBondContact OH-O 3.3Å; F44-Y195 HydrophobicContact CE2-CD1 4.28Å; F44-Y195 HydrophobicContact CE2-CE1 4.42Å; N147-Y195 CarbonylContact O-C 3.12Å; N147-Y195 VanDerWaalsContact O-CA 3.3Å; N147-Y195 WeakPolarHBondContact O-CA 3.3Å; Y195-E197 HydrophobicContact CE2-CB 4.08Å; Y195-Y216 WeakPolarHBondContact O-CD1 3.32Å; Y195-N314 PolarHBondContact OH-N 3.5Å; Y195-N314 PolarHBondContact OH-OD1 3.13Å; Y195-F315 AromaticContact CD1-CE2 3.64Å; Y195-F315 HydrophobicContact CD1-CE2 3.64Å; Y195-F315 HydrophobicContact CD1-CZ 4.27Å; Y195-F315 HydrophobicContact CE1-CE2 4.13Å; Y195-F315 HydrophobicContact CG-CE2 4.14Å; Y195-F315 HydrophobicContact CG-CZ 4.41Å
196	Y	98.4	Very high	96.5	Very high	19 Å²	19	29.2 Å²	29.2	8%	0.075	16%	0.158	C	C	.	.			trans	-85	136.1	174.2	-170.9	-70.3	0	0	0	109.5	W122 E124 L128 C131 N147 T198 Y216 D217	W122-Y196 HydrophobicContact CE3-CD2 4.06Å; W122-Y196 HydrophobicContact CE3-CE2 4.44Å; W122-Y196 AromaticContact CH2-CD2 3.99Å; W122-Y196 HydrophobicContact CH2-CD2 3.99Å; W122-Y196 HydrophobicContact CH2-CG 4.3Å; W122-Y196 AromaticContact CZ3-CD2 3.25Å; W122-Y196 HydrophobicContact CZ3-CD2 3.25Å; W122-Y196 AromaticContact CZ3-CE2 3.94Å; W122-Y196 HydrophobicContact CZ3-CE2 3.94Å; W122-Y196 AromaticContact CZ3-CG 3.94Å; W122-Y196 HydrophobicContact CZ3-CG 3.94Å; E124-Y196 HydrophobicContact CG-CD1 4.32Å; E124-Y196 HydrophobicContact CG-CD2 3.56Å; E124-Y196 HydrophobicContact CG-CE2 3.82Å; E124-Y196 HydrophobicContact CG-CG 3.86Å; E124-Y196 VanDerWaalsContact OE1-CE2 3.32Å; E124-Y196 WeakPolarHBondContact OE1-CE2 3.15Å; E124-Y196 VanDerWaalsContact OE1-CZ 3.25Å; E124-Y196 PolarHBondContact OE1-OH 3.2Å; L128-Y196 HydrophobicContact CD1-CE1 3.78Å; C131-Y196 HydrophobicContact CB-CD1 3.87Å; C131-Y196 HydrophobicContact CB-CG 4.11Å; N147-Y196 PolarHBondContact O-N 3.49Å; Y196-T198 WeakPolarHBondContact CE1-OG1 3.42Å; Y196-Y216 WeakPolarHBondContact CA-O 3.31Å; Y196-D217 HydrophobicContact CE1-CB 4.03Å; Y196-D217 HydrophobicContact CE2-CB 3.88Å; Y196-D217 VanDerWaalsContact CZ-CB 3.47Å; Y196-D217 WeakPolarHBondContact OH-CB 3.27Å
197	E	98.3	Very high	96.1	Very high	8 Å²	8	35.1 Å²	35.1	4%	0.037	20%	0.196	C	C	.	.	B	Isolated β-bridge	trans	-126.3	124.6	171.1	175.3	58.7	-109.8	0	0	109.9	Y195 W199 S215 Y216 Y313	Y195-E197 HydrophobicContact CE2-CB 4.08Å; E197-W199 VanDerWaalsContact OE1-CD1 3.29Å; E197-W199 PolarHBondContact OE1-N 3.24Å; E197-S215 WeakPolarHBondContact O-CB 3.35Å; E197-Y216 PolarHBondContact N-O 3.24Å; E197-Y216 CarbonylContact O-C 3.58Å; E197-Y216 PolarHBondContact O-N 2.85Å; E197-Y313 HydrophobicContact CB-CE2 4.39Å; E197-Y313 HydrophobicContact CG-CD2 3.83Å; E197-Y313 HydrophobicContact CG-CE2 3.77Å
198	T	96.4	Very high	95.9	Very high	7 Å²	7	39.5 Å²	39.5	4%	0.043	22%	0.222	C	C	.	.			trans	-82.4	-38.8	-176.3	-55.3	0	0	0	0	112	L128 T132 Y196 I247	L128-T198 HydrophobicContact CD1-CG2 4.11Å; L128-T198 WeakPolarHBondContact CD1-OG1 3.02Å; T132-T198 HydrophobicContact CG2-CG2 4.32Å; T132-T198 PolarHBondContact OG1-OG1 3.23Å; Y196-T198 WeakPolarHBondContact CE1-OG1 3.42Å; T198-I247 HydrophobicContact CG2-CD1 3.84Å
199	W	97.6	Very high	95.9	Very high	28 Å²	28	35.6 Å²	35.6	11%	0.106	20%	0.203	C	C	.	.			trans	-90	125.7	-165.9	-55.6	106.8	0	0	0	111.6	T132 F133 E197 V201 I247 L249 F309 L311 V327	T132-W199 HydrophobicContact CG2-CZ2 3.6Å; F133-W199 AromaticContact CZ-CZ2 4Å; F133-W199 HydrophobicContact CZ-CZ2 4Å; E197-W199 VanDerWaalsContact OE1-CD1 3.29Å; E197-W199 PolarHBondContact OE1-N 3.24Å; W199-V201 HydrophobicContact CB-CG2 4.27Å; W199-I247 HydrophobicContact CE3-CG2 3.61Å; W199-I247 HydrophobicContact CH2-CG2 4.34Å; W199-I247 HydrophobicContact CZ3-CG2 3.36Å; W199-L249 HydrophobicContact CB-CD1 3.98Å; W199-L249 HydrophobicContact CB-CG 4.28Å; W199-L249 HydrophobicContact CD2-CD1 3.72Å; W199-L249 HydrophobicContact CD2-CD2 4.22Å; W199-L249 HydrophobicContact CD2-CG 3.84Å; W199-L249 HydrophobicContact CE3-CD1 3.91Å; W199-L249 HydrophobicContact CE3-CD2 3.62Å; W199-L249 HydrophobicContact CE3-CG 3.47Å; W199-L249 VanDerWaalsContact CE3-CG 3.47Å; W199-L249 HydrophobicContact CG-CD1 3.76Å; W199-L249 HydrophobicContact CG-CG 4.2Å; W199-L249 HydrophobicContact CH2-CD2 4.31Å; W199-L249 HydrophobicContact CZ3-CD2 3.65Å; W199-L249 HydrophobicContact CZ3-CG 4.07Å; W199-F309 AromaticContact CE2-CZ 3.99Å; W199-F309 HydrophobicContact CZ2-CZ 4.12Å; W199-F309 AromaticContact NE1-CZ 3.99Å; W199-L311 HydrophobicContact CB-CD1 4.16Å; W199-L311 HydrophobicContact CG-CD1 4.3Å; W199-V327 HydrophobicContact CZ3-CG1 4.1Å
200	T	98.2	Very high	96	Very high	2 Å²	2	38.5 Å²	38.5	1%	0.012	22%	0.221	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-93.4	127.6	155.9	-57.2	0	0	0	0	108.2	R202 V211 F213 S215 I247 Y248 L249	T200-R202 HydrophobicContact CG2-CG 4.25Å; T200-V211 HydrophobicContact CG2-CG1 4.28Å; T200-F213 CarbonylContact C-O 3.6Å; T200-F213 WeakPolarHBondContact CA-O 3.43Å; T200-F213 WeakPolarHBondContact CG2-O 3.34Å; T200-S215 WeakPolarHBondContact OG1-CB 3.16Å; T200-S215 PolarHBondContact OG1-N 2.58Å; T200-S215 PolarHBondContact OG1-OG 3.23Å; T200-I247 PolarHBondContact N-O 2.86Å; T200-Y248 HydrophobicContact CG2-CD1 3.84Å; T200-Y248 HydrophobicContact CG2-CE1 3.49Å; T200-Y248 VanDerWaalsContact CG2-CE1 3.49Å; T200-Y248 CarbonylContact O-C 3.54Å; T200-Y248 VanDerWaalsContact O-CA 3.3Å; T200-Y248 WeakPolarHBondContact O-CA 3.24Å; T200-L249 PolarHBondContact O-N 3.21Å
201	V	98.5	Very high	96.1	Very high	0 Å²	0	38.4 Å²	38.4	0%	0	22%	0.222	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-113.6	124.4	-175.8	-166.2	0	0	0	0	109.8	W199 W212 F213 L249 S251 L311 L320	W199-V201 HydrophobicContact CB-CG2 4.27Å; V201-W212 HydrophobicContact CB-CB 4.35Å; V201-W212 HydrophobicContact CG1-CB 4.46Å; V201-W212 PolarHBondContact O-N 2.85Å; V201-F213 HydrophobicContact CB-CB 4.19Å; V201-F213 HydrophobicContact CB-CD2 3.92Å; V201-F213 HydrophobicContact CG2-CB 4.04Å; V201-F213 HydrophobicContact CG2-CD2 3.94Å; V201-F213 HydrophobicContact CG2-CG 4.43Å; V201-F213 PolarHBondContact N-O 3.25Å; V201-F213 PolarHBondContact O-N 2.87Å; V201-L249 CarbonylContact C-O 3.53Å; V201-L249 WeakPolarHBondContact CA-O 3.42Å; V201-L249 HydrophobicContact CB-CB 4.48Å; V201-L249 HydrophobicContact CG1-CB 4.09Å; V201-L249 HydrophobicContact CG2-CB 4.16Å; V201-L249 HydrophobicContact CG2-CD1 4.31Å; V201-S251 VanDerWaalsContact CG1-OG 3.27Å; V201-S251 WeakPolarHBondContact CG1-OG 3.23Å; V201-L311 HydrophobicContact CG2-CD2 3.96Å; V201-L320 HydrophobicContact CG1-CD1 3.87Å; V201-L320 HydrophobicContact CG1-CD2 4.36Å; V201-L320 HydrophobicContact CG2-CD1 4.12Å
202	R	98.2	Very high	96.3	Very high	26 Å²	26	34.1 Å²	34.1	10%	0.098	20%	0.201	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-127.9	160	-175.3	-59.3	-178.2	66.5	-175.4	0.7	111.8	T200 G206 T210 V211 Y248 L249 Y250 S251	T200-R202 HydrophobicContact CG2-CG 4.25Å; R202-G206 PolarHBondContact NH2-O 2.03Å; R202-T210 CarbonylContact C-O 3.6Å; R202-T210 WeakPolarHBondContact CA-O 3.12Å; R202-V211 HydrophobicContact CG-CG2 4.23Å; R202-Y248 HydrophobicContact CG-CD1 4.07Å; R202-Y248 HydrophobicContact CG-CE1 4.17Å; R202-L249 PolarHBondContact N-O 3.32Å; R202-Y250 HydrophobicContact CB-CD1 4.17Å; R202-Y250 HydrophobicContact CB-CE1 4.19Å; R202-Y250 WeakPolarHBondContact O-CA 3.31Å; R202-S251 PolarHBondContact O-N 3Å
203	S	97.8	Very high	96.4	Very high	12 Å²	12	32.7 Å²	32.7	8%	0.084	19%	0.192	C	C	.	.	S	Bend	trans	-68.4	-38.9	176.4	77.4	0	0	0	0	112.5	T210 S251 K323	S203-T210 PolarHBondContact N-O 3.33Å; S203-T210 PolarHBondContact OG-N 2.8Å; S203-T210 VanDerWaalsContact OG-N 3.15Å; S203-S251 VanDerWaalsContact CA-O 3.31Å; S203-S251 WeakPolarHBondContact CA-O 3.37Å; S203-K323 PolarHBondContact O-NZ 3.31Å
204	D	96.4	Very high	96.4	Very high	65 Å²	65	36.1 Å²	36.1	35%	0.348	21%	0.208	S	C	.	.			trans	-159.5	164.1	-169.6	-61.5	-77.2	0	0	0	110.1	G206 A209 Y250 K323	D204-G206 VanDerWaalsContact C-N 3.26Å; D204-G206 PolarHBondContact O-N 2.79Å; D204-A209 HydrophobicContact CB-CB 4.06Å; D204-A209 WeakPolarHBondContact O-CB 3.44Å; D204-Y250 VanDerWaalsContact C-CD1 3.44Å; D204-Y250 WeakPolarHBondContact O-CE1 3.21Å; D204-K323 VanDerWaalsContact CG-NZ 3.28Å; D204-K323 IonicContact OD1-NZ 3.62Å; D204-K323 PolarHBondContact OD1-NZ 2.83Å; D204-K323 IonicContact OD2-NZ 2.85Å; D204-K323 PolarHBondContact OD2-NZ 3.28Å
205	P	94.3	Very high	96.4	Very high	71 Å²	71	36.1 Å²	36.1	46%	0.461	21%	0.208	S	C	.	.	S	Bend	trans	-76.6	-6.1	178.5	29.3	-36.3	0	0	0	114.8	Y250	P205-Y250 VanDerWaalsContact CA-CE1 3.42Å; P205-Y250 HydrophobicContact CB-CE1 3.89Å; P205-Y250 WeakPolarHBondContact CB-OH 3.5Å; P205-Y250 VanDerWaalsContact N-CE1 3.35Å
206	G	90.9	Very high	96.4	Very high	29 Å²	29	36.5 Å²	36.5	30%	0.299	21%	0.21	S	C	.	.	S	Bend	trans	-74.5	159.1	-175.9	0	0	0	0	0	113.6	R202 D204 N208 A209	R202-G206 PolarHBondContact NH2-O 2.03Å; D204-G206 VanDerWaalsContact C-N 3.26Å; D204-G206 PolarHBondContact O-N 2.79Å; G206-N208 PolarHBondContact O-N 3.14Å; G206-N208 VanDerWaalsContact O-N 3.15Å; G206-A209 VanDerWaalsContact O-CB 3.26Å; G206-A209 WeakPolarHBondContact O-CB 3.29Å; G206-A209 PolarHBondContact O-N 3.06Å; G206-A209 VanDerWaalsContact O-N 3.09Å
207	P	87.8	Confident	96.4	Very high	125 Å²	125	36.2 Å²	36.2	81%	0.812	21%	0.209	S	C	*	.	T	Hydrogen-bonded Turn	trans	-62.3	-24.4	-180	25.6	-35	0	0	0	113.6
208	N	91.5	Very high	96.3	Very high	159 Å²	159	36.4 Å²	36.4	85%	0.85	21%	0.212	S	C	*	.	T	Hydrogen-bonded Turn	trans	-96	12.8	179.7	-61.8	-28.3	0	0	0	113.4	G206	G206-N208 PolarHBondContact O-N 3.14Å; G206-N208 VanDerWaalsContact O-N 3.15Å
209	A	95.4	Very high	96.3	Very high	16 Å²	16	36.1 Å²	36.1	13%	0.132	21%	0.21	C	C	.	.	P	Polyproline II helix	trans	-69	141.8	-179.5	0	0	0	0	0	111.5	D204 G206 V211	D204-A209 HydrophobicContact CB-CB 4.06Å; D204-A209 WeakPolarHBondContact O-CB 3.44Å; G206-A209 VanDerWaalsContact O-CB 3.26Å; G206-A209 WeakPolarHBondContact O-CB 3.29Å; G206-A209 PolarHBondContact O-N 3.06Å; G206-A209 VanDerWaalsContact O-N 3.09Å; A209-V211 PolarHBondContact O-N 3.08Å
210	T	97.2	Very high	96.2	Very high	63 Å²	63	36 Å²	36	39%	0.387	21%	0.211	S	C	.	.	P	Polyproline II helix	trans	-68.8	129.4	172.1	-54.7	0	0	0	0	108.8	W37 R202 S203 W212	W37-T210 HydrophobicContact CB-CG2 4.09Å; R202-T210 CarbonylContact C-O 3.6Å; R202-T210 WeakPolarHBondContact CA-O 3.12Å; S203-T210 PolarHBondContact N-O 3.33Å; S203-T210 PolarHBondContact OG-N 2.8Å; S203-T210 VanDerWaalsContact OG-N 3.15Å; T210-W212 HydrophobicContact CG2-CD2 4.29Å; T210-W212 HydrophobicContact CG2-CE3 3.64Å; T210-W212 HydrophobicContact CG2-CH2 3.9Å; T210-W212 HydrophobicContact CG2-CZ3 3.43Å; T210-W212 VanDerWaalsContact CG2-CZ3 3.43Å
211	V	97.9	Very high	96.2	Very high	30 Å²	30	35.9 Å²	35.9	18%	0.182	21%	0.21	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-87.1	124.4	168.9	-174.5	0	0	0	0	107.9	P38 T200 R202 A209 F213 E214	P38-V211 VanDerWaalsContact CA-O 3.31Å; P38-V211 WeakPolarHBondContact CA-O 3.27Å; P38-V211 HydrophobicContact CB-CB 4.39Å; P38-V211 HydrophobicContact CB-CG1 4.18Å; P38-V211 WeakPolarHBondContact CB-O 3.3Å; T200-V211 HydrophobicContact CG2-CG1 4.28Å; R202-V211 HydrophobicContact CG-CG2 4.23Å; A209-V211 PolarHBondContact O-N 3.08Å; V211-F213 WeakPolarHBondContact CG1-O 3.44Å; V211-E214 HydrophobicContact CG1-CG 4.08Å
212	W	98.3	Very high	96.2	Very high	20 Å²	20	36 Å²	36	8%	0.076	21%	0.21	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-88.2	-44.8	176.3	-50.2	128.2	0	0	0	111.2	W37 P38 V39 V201 T210 S251 G252 E253 P254	W37-W212 HydrophobicContact CB-CE3 4.27Å; W37-W212 AromaticContact CD1-CE3 4Å; W37-W212 AromaticContact CD1-CZ3 3.61Å; W37-W212 AromaticContact CD2-CE3 3.47Å; W37-W212 HydrophobicContact CD2-CE3 3.47Å; W37-W212 VanDerWaalsContact CD2-CE3 3.47Å; W37-W212 AromaticContact CD2-CZ3 3.86Å; W37-W212 HydrophobicContact CD2-CZ3 3.86Å; W37-W212 AromaticContact CE2-CE3 3.7Å; W37-W212 AromaticContact CE2-CZ3 3.74Å; W37-W212 HydrophobicContact CE3-CB 4.25Å; W37-W212 AromaticContact CE3-CE3 3.8Å; W37-W212 HydrophobicContact CE3-CE3 3.8Å; W37-W212 AromaticContact CG-CE3 3.68Å; W37-W212 HydrophobicContact CG-CE3 3.68Å; W37-W212 AromaticContact CG-CZ3 3.77Å; W37-W212 HydrophobicContact CG-CZ3 3.77Å; W37-W212 HydrophobicContact CZ2-CE3 4.24Å; W37-W212 HydrophobicContact CZ2-CZ3 4.41Å; W37-W212 HydrophobicContact CZ3-CB 4.27Å; W37-W212 HydrophobicContact CZ3-CE3 4.3Å; W37-W212 AromaticContact NE1-CZ3 3.58Å; P38-W212 CarbonylContact C-O 3.6Å; P38-W212 WeakPolarHBondContact CA-O 3.42Å; V39-W212 PolarHBondContact N-O 3.06Å; V201-W212 HydrophobicContact CB-CB 4.35Å; V201-W212 HydrophobicContact CG1-CB 4.46Å; V201-W212 PolarHBondContact O-N 2.85Å; T210-W212 HydrophobicContact CG2-CD2 4.29Å; T210-W212 HydrophobicContact CG2-CE3 3.64Å; T210-W212 HydrophobicContact CG2-CH2 3.9Å; T210-W212 HydrophobicContact CG2-CZ3 3.43Å; T210-W212 VanDerWaalsContact CG2-CZ3 3.43Å; W212-S251 PolarHBondContact NE1-O 3.21Å; W212-S251 VanDerWaalsContact NE1-O 3.13Å; W212-G252 PolarHBondContact NE1-O 3.5Å; W212-E253 HydrophobicContact CH2-CB 4.02Å; W212-E253 HydrophobicContact CH2-CG 4.19Å; W212-E253 HydrophobicContact CZ2-CB 4.28Å; W212-E253 HydrophobicContact CZ3-CB 4.47Å; W212-E253 HydrophobicContact CZ3-CG 4.16Å; W212-P254 HydrophobicContact CB-CG 3.72Å; W212-P254 HydrophobicContact CD2-CG 4.23Å; W212-P254 HydrophobicContact CG-CG 3.72Å
213	F	98.5	Very high	96.2	Very high	0 Å²	0	35.3 Å²	35.3	0%	0	21%	0.209	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-140.7	136.3	-179.9	-58.8	-83.5	0	0	0	109.7	W37 V39 T200 V201 V211 P254 L311 Y313 W318 L320	W37-F213 HydrophobicContact CZ3-CZ 4.37Å; V39-F213 HydrophobicContact CB-CD1 3.75Å; V39-F213 HydrophobicContact CB-CE1 3.57Å; V39-F213 HydrophobicContact CG1-CE1 4.16Å; V39-F213 HydrophobicContact CG2-CD1 3.85Å; V39-F213 HydrophobicContact CG2-CE1 3.3Å; V39-F213 HydrophobicContact CG2-CZ 3.82Å; T200-F213 CarbonylContact C-O 3.6Å; T200-F213 WeakPolarHBondContact CA-O 3.43Å; T200-F213 WeakPolarHBondContact CG2-O 3.34Å; V201-F213 HydrophobicContact CB-CB 4.19Å; V201-F213 HydrophobicContact CB-CD2 3.92Å; V201-F213 HydrophobicContact CG2-CB 4.04Å; V201-F213 HydrophobicContact CG2-CD2 3.94Å; V201-F213 HydrophobicContact CG2-CG 4.43Å; V201-F213 PolarHBondContact N-O 3.25Å; V201-F213 PolarHBondContact O-N 2.87Å; V211-F213 WeakPolarHBondContact CG1-O 3.44Å; F213-P254 HydrophobicContact CD2-CG 4.39Å; F213-P254 HydrophobicContact CE2-CB 3.83Å; F213-P254 HydrophobicContact CE2-CG 3.63Å; F213-P254 HydrophobicContact CZ-CB 4.31Å; F213-P254 HydrophobicContact CZ-CG 4.46Å; F213-L311 HydrophobicContact CB-CD2 4.31Å; F213-L311 HydrophobicContact CD1-CD2 4.14Å; F213-L311 HydrophobicContact CD2-CD2 3.39Å; F213-L311 HydrophobicContact CE1-CD2 4.33Å; F213-L311 HydrophobicContact CE2-CD2 3.61Å; F213-L311 HydrophobicContact CG-CD2 3.69Å; F213-L311 HydrophobicContact CZ-CD2 4.1Å; F213-Y313 HydrophobicContact CB-CD2 4.21Å; F213-Y313 HydrophobicContact CB-CE2 4.05Å; F213-Y313 AromaticContact CD1-CD1 3.56Å; F213-Y313 HydrophobicContact CD1-CD1 3.56Å; F213-Y313 AromaticContact CD1-CD2 3.84Å; F213-Y313 HydrophobicContact CD1-CD2 3.84Å; F213-Y313 AromaticContact CD1-CE1 3.89Å; F213-Y313 HydrophobicContact CD1-CE1 3.89Å; F213-Y313 HydrophobicContact CD1-CE2 4.11Å; F213-Y313 AromaticContact CD1-CG 3.54Å; F213-Y313 HydrophobicContact CD1-CG 3.54Å; F213-Y313 AromaticContact CE1-CD1 3.88Å; F213-Y313 HydrophobicContact CE1-CD1 3.88Å; F213-Y313 AromaticContact CE1-CG 3.96Å; F213-Y313 HydrophobicContact CE1-CG 3.96Å; F213-Y313 HydrophobicContact CG-CD2 4.31Å; F213-Y313 HydrophobicContact CG-CG 4.39Å; F213-W318 HydrophobicContact CE1-CD2 4.2Å; F213-W318 HydrophobicContact CE1-CG 4.4Å; F213-W318 HydrophobicContact CE1-CZ2 4.42Å; F213-W318 HydrophobicContact CZ-CB 4.28Å; F213-W318 AromaticContact CZ-CD2 3.54Å; F213-W318 HydrophobicContact CZ-CD2 3.54Å; F213-W318 AromaticContact CZ-CE2 3.84Å; F213-W318 AromaticContact CZ-CE3 3.83Å; F213-W318 HydrophobicContact CZ-CE3 3.83Å; F213-W318 AromaticContact CZ-CG 3.73Å; F213-W318 HydrophobicContact CZ-CG 3.73Å; F213-W318 HydrophobicContact CZ-CZ2 4.39Å; F213-W318 HydrophobicContact CZ-CZ3 4.37Å; F213-L320 HydrophobicContact CE2-CD2 4.13Å
214	E	97.8	Very high	96.2	Very high	72 Å²	72	36.4 Å²	36.4	34%	0.336	21%	0.211	S	C	.	.			trans	-94.2	142.1	170.8	-71.9	-74	176.5	0	0	109.6	V211 Q220 Y313	V211-E214 HydrophobicContact CG1-CG 4.08Å; E214-Q220 PolarHBondContact OE2-NE2 3.14Å; E214-Y313 VanDerWaalsContact O-CE2 3.31Å; E214-Y313 WeakPolarHBondContact O-CE2 3.22Å; E214-Y313 PolarHBondContact O-OH 3.45Å; E214-Y313 VanDerWaalsContact O-OH 3.09Å
215	S	97.6	Very high	96.3	Very high	4 Å²	4	33.3 Å²	33.3	3%	0.028	19%	0.194	C	C	.	.			trans	-62.5	163.5	168.6	65.5	0	0	0	0	111.5	E197 T200 D217 Q220	E197-S215 WeakPolarHBondContact O-CB 3.35Å; T200-S215 WeakPolarHBondContact OG1-CB 3.16Å; T200-S215 PolarHBondContact OG1-N 2.58Å; T200-S215 PolarHBondContact OG1-OG 3.23Å; S215-D217 WeakPolarHBondContact CB-OD2 3.39Å; S215-D217 PolarHBondContact OG-OD2 2.6Å; S215-Q220 WeakPolarHBondContact O-CG 3.33Å
216	Y	98.2	Very high	96.5	Very high	11 Å²	11	29.9 Å²	29.9	4%	0.043	17%	0.172	C	C	.	.	B	Isolated β-bridge	trans	-136.2	78.6	172.5	-159.2	-88.1	0	0	0	108	Y41 R43 W122 D189 Y195 Y196 E197 R224	Y41-Y216 AromaticContact CD1-CD2 3.99Å; Y41-Y216 HydrophobicContact CD1-CD2 3.99Å; Y41-Y216 AromaticContact CD1-CE2 3.83Å; Y41-Y216 HydrophobicContact CD1-CE2 3.83Å; Y41-Y216 HydrophobicContact CD2-CD1 4.4Å; Y41-Y216 AromaticContact CD2-CD2 3.4Å; Y41-Y216 HydrophobicContact CD2-CD2 3.4Å; Y41-Y216 HydrophobicContact CD2-CE2 4.11Å; Y41-Y216 AromaticContact CD2-CG 3.56Å; Y41-Y216 HydrophobicContact CD2-CG 3.56Å; Y41-Y216 HydrophobicContact CE1-CD2 4.13Å; Y41-Y216 HydrophobicContact CE1-CE1 4.34Å; Y41-Y216 AromaticContact CE1-CE2 3.89Å; Y41-Y216 HydrophobicContact CE1-CE2 3.89Å; Y41-Y216 HydrophobicContact CE1-CG 4.45Å; Y41-Y216 AromaticContact CE1-CZ 4Å; Y41-Y216 VanDerWaalsContact CE2-CB 3.44Å; Y41-Y216 AromaticContact CE2-CD1 3.67Å; Y41-Y216 HydrophobicContact CE2-CD1 3.67Å; Y41-Y216 AromaticContact CE2-CD2 3.51Å; Y41-Y216 HydrophobicContact CE2-CD2 3.51Å; Y41-Y216 HydrophobicContact CE2-CE1 4.26Å; Y41-Y216 HydrophobicContact CE2-CE2 4.11Å; Y41-Y216 AromaticContact CE2-CG 3.25Å; Y41-Y216 HydrophobicContact CE2-CG 3.25Å; Y41-Y216 AromaticContact CG-CD2 3.63Å; Y41-Y216 HydrophobicContact CG-CD2 3.63Å; Y41-Y216 AromaticContact CG-CE2 3.95Å; Y41-Y216 HydrophobicContact CG-CE2 3.95Å; Y41-Y216 HydrophobicContact CG-CG 4.25Å; Y41-Y216 AromaticContact CZ-CD1 3.75Å; Y41-Y216 AromaticContact CZ-CD2 3.89Å; Y41-Y216 AromaticContact CZ-CE1 3.89Å; Y41-Y216 AromaticContact CZ-CG 3.75Å; R43-Y216 PolarHBondContact NH2-OH 2.79Å; R43-Y216 VanDerWaalsContact NH2-OH 3.15Å; W122-Y216 AromaticContact CH2-CD1 3.54Å; W122-Y216 HydrophobicContact CH2-CD1 3.54Å; W122-Y216 AromaticContact CH2-CE1 3.87Å; W122-Y216 HydrophobicContact CH2-CE1 3.87Å; W122-Y216 AromaticContact CZ2-CD1 3.8Å; W122-Y216 HydrophobicContact CZ2-CD1 3.8Å; W122-Y216 AromaticContact CZ2-CE1 3.6Å; W122-Y216 HydrophobicContact CZ2-CE1 3.6Å; W122-Y216 HydrophobicContact CZ3-CD1 4.13Å; W122-Y216 WeakPolarHBondContact CZ3-O 3.42Å; D189-Y216 PolarHBondContact OD2-OH 3.13Å; Y195-Y216 WeakPolarHBondContact O-CD1 3.32Å; Y196-Y216 WeakPolarHBondContact CA-O 3.31Å; E197-Y216 PolarHBondContact N-O 3.24Å; E197-Y216 CarbonylContact O-C 3.58Å; E197-Y216 PolarHBondContact O-N 2.85Å; Y216-R224 VanDerWaalsContact CE1-NH2 3.31Å; Y216-R224 VanDerWaalsContact CE2-NH1 3.27Å; Y216-R224 PolarHBondContact OH-NH2 2.91Å
217	D	96.9	Very high	96.9	Very high	12 Å²	12	34.3 Å²	34.3	6%	0.064	18%	0.18	C	C	.	.	S	Bend	trans	-124.7	-174.3	-170.5	58.1	42.4	0	0	0	112	Y196 S215 S219 Q220 F221	Y196-D217 HydrophobicContact CE1-CB 4.03Å; Y196-D217 HydrophobicContact CE2-CB 3.88Å; Y196-D217 VanDerWaalsContact CZ-CB 3.47Å; Y196-D217 WeakPolarHBondContact OH-CB 3.27Å; S215-D217 WeakPolarHBondContact CB-OD2 3.39Å; S215-D217 PolarHBondContact OG-OD2 2.6Å; D217-S219 PolarHBondContact O-N 2.92Å; D217-S219 WeakPolarHBondContact OD1-CA 3.34Å; D217-S219 WeakPolarHBondContact OD1-CB 3.34Å; D217-S219 PolarHBondContact OD1-N 3.05Å; D217-S219 PolarHBondContact OD1-OG 3Å; D217-Q220 PolarHBondContact O-N 3.13Å; D217-Q220 WeakPolarHBondContact OD1-CG 3.49Å; D217-Q220 PolarHBondContact OD1-N 3.13Å; D217-F221 PolarHBondContact O-N 3.16Å
218	C	96.6	Very high	97.4	Very high	12 Å²	12	30.6 Å²	30.6	8%	0.081	15%	0.151	C	C	.	.	H	α-helix	trans	-57.2	-45.5	178	54.9	0	0	0	0	112.5	W122 Q220 F221 V222	W122-C218 VanDerWaalsContact O-CA 3.27Å; W122-C218 WeakPolarHBondContact O-CA 3.18Å; W122-C218 WeakPolarHBondContact O-CB 3.41Å; C218-Q220 VanDerWaalsContact C-N 3.33Å; C218-Q220 PolarHBondContact O-N 3.17Å; C218-F221 WeakPolarHBondContact O-CB 3.29Å; C218-F221 PolarHBondContact O-N 3.18Å; C218-V222 WeakPolarHBondContact O-CG2 3.46Å; C218-V222 PolarHBondContact O-N 2.82Å
219	S	96	Very high	97.7	Very high	2 Å²	2	23 Å²	23	1%	0.014	11%	0.11	C	C	.	.	H	α-helix	trans	-59.7	-44.1	178.5	80.2	0	0	0	0	111.3	D105 D217 F221 V222 H223 K246	D105-S219 VanDerWaalsContact OD2-CB 3.31Å; D105-S219 WeakPolarHBondContact OD2-CB 3.3Å; D217-S219 PolarHBondContact O-N 2.92Å; D217-S219 WeakPolarHBondContact OD1-CA 3.34Å; D217-S219 WeakPolarHBondContact OD1-CB 3.34Å; D217-S219 PolarHBondContact OD1-N 3.05Å; D217-S219 PolarHBondContact OD1-OG 3Å; S219-F221 VanDerWaalsContact C-N 3.35Å; S219-F221 PolarHBondContact O-N 2.68Å; S219-V222 PolarHBondContact O-N 2.72Å; S219-H223 PolarHBondContact O-CD2 3.02Å; S219-H223 PolarHBondContact O-N 2.81Å; S219-K246 PolarHBondContact OG-NZ 2.94Å
220	Q	97.1	Very high	97.8	Very high	25 Å²	25	24.4 Å²	24.4	12%	0.117	12%	0.117	C	C	.	.	H	α-helix	trans	-66.7	-36.9	179.1	-66.4	-73.6	-2.5	0	0	111.5	E214 S215 D217 C218 H223 R224	E214-Q220 PolarHBondContact OE2-NE2 3.14Å; S215-Q220 WeakPolarHBondContact O-CG 3.33Å; D217-Q220 PolarHBondContact O-N 3.13Å; D217-Q220 WeakPolarHBondContact OD1-CG 3.49Å; D217-Q220 PolarHBondContact OD1-N 3.13Å; C218-Q220 VanDerWaalsContact C-N 3.33Å; C218-Q220 PolarHBondContact O-N 3.17Å; Q220-H223 PolarHBondContact O-N 2.91Å; Q220-R224 WeakPolarHBondContact O-CG 3.4Å; Q220-R224 PolarHBondContact O-N 2.87Å; Q220-R224 PolarHBondContact O-NH1 3.34Å
221	F	98.3	Very high	97.9	Very high	0 Å²	0	28 Å²	28	0%	0	13%	0.13	C	C	.	.	H	α-helix	trans	-63.3	-44.6	172.7	171.5	-100.4	0	0	0	112.3	M120 W122 A151 V186 D217 C218 S219 H223 R224 T225	M120-F221 HydrophobicContact CE-CE1 3.85Å; M120-F221 HydrophobicContact CE-CZ 3.72Å; M120-F221 HydrophobicContact CG-CE1 4.09Å; M120-F221 HydrophobicContact CG-CZ 4.12Å; M120-F221 HydrophobicContact SD-CE1 4.41Å; M120-F221 HydrophobicContact SD-CZ 4Å; W122-F221 HydrophobicContact CB-CB 3.52Å; W122-F221 HydrophobicContact CB-CD1 3.33Å; W122-F221 HydrophobicContact CB-CD2 3.75Å; W122-F221 HydrophobicContact CB-CE1 3.89Å; W122-F221 HydrophobicContact CB-CE2 4.27Å; W122-F221 HydrophobicContact CB-CG 3.23Å; W122-F221 HydrophobicContact CB-CZ 4.33Å; W122-F221 AromaticContact CD1-CD2 3.63Å; W122-F221 AromaticContact CD1-CE2 3.99Å; W122-F221 HydrophobicContact CD2-CB 4.4Å; W122-F221 HydrophobicContact CG-CB 3.87Å; W122-F221 HydrophobicContact CG-CD1 4.3Å; W122-F221 AromaticContact CG-CD2 3.84Å; W122-F221 HydrophobicContact CG-CD2 3.84Å; W122-F221 HydrophobicContact CG-CE2 4.45Å; W122-F221 AromaticContact CG-CG 3.74Å; W122-F221 HydrophobicContact CG-CG 3.74Å; A151-F221 HydrophobicContact CB-CE2 4.36Å; A151-F221 HydrophobicContact CB-CZ 4.27Å; V186-F221 HydrophobicContact CG1-CE2 4.17Å; V186-F221 HydrophobicContact CG1-CZ 4.08Å; V186-F221 HydrophobicContact CG2-CE2 4.49Å; V186-F221 HydrophobicContact CG2-CZ 4.35Å; D217-F221 PolarHBondContact O-N 3.16Å; C218-F221 WeakPolarHBondContact O-CB 3.29Å; C218-F221 PolarHBondContact O-N 3.18Å; S219-F221 VanDerWaalsContact C-N 3.35Å; S219-F221 PolarHBondContact O-N 2.68Å; F221-H223 VanDerWaalsContact C-N 3.31Å; F221-H223 PolarHBondContact O-N 2.87Å; F221-R224 PolarHBondContact O-N 3.47Å; F221-T225 PolarHBondContact O-N 2.94Å; F221-T225 PolarHBondContact O-OG1 3.06Å
222	V	98.3	Very high	97.9	Very high	1 Å²	1	29.1 Å²	29.1	1%	0.006	13%	0.134	C	C	.	.	H	α-helix	trans	-57.3	-47.2	175.8	169.7	0	0	0	0	110.4	D105 I107 C218 S219 T225 Y226 Y244	D105-V222 HydrophobicContact CB-CG2 3.89Å; I107-V222 HydrophobicContact CD1-CB 4.44Å; I107-V222 HydrophobicContact CD1-CG1 4.23Å; I107-V222 HydrophobicContact CD1-CG2 4.4Å; I107-V222 HydrophobicContact CG1-CB 4.41Å; I107-V222 HydrophobicContact CG1-CG1 4.05Å; I107-V222 HydrophobicContact CG1-CG2 4Å; C218-V222 WeakPolarHBondContact O-CG2 3.46Å; C218-V222 PolarHBondContact O-N 2.82Å; S219-V222 PolarHBondContact O-N 2.72Å; V222-T225 PolarHBondContact O-N 3.03Å; V222-Y226 HydrophobicContact CG1-CD2 3.84Å; V222-Y226 HydrophobicContact CG1-CE1 4.08Å; V222-Y226 HydrophobicContact CG1-CE2 3.29Å; V222-Y226 HydrophobicContact CG1-CG 4.44Å; V222-Y226 VanDerWaalsContact CG1-CZ 3.42Å; V222-Y226 PolarHBondContact O-N 3.14Å; V222-Y244 HydrophobicContact CG1-CE1 4.36Å
223	H	97.6	Very high	97.8	Very high	13 Å²	13	30.5 Å²	30.5	6%	0.06	16%	0.155	C	C	.	.	H	α-helix	trans	-65.9	-39.4	177.2	-73	-64	0	0	0	113.9	S219 Q220 F221 T225 Y226 R227 Y244 V334	S219-H223 PolarHBondContact O-CD2 3.02Å; S219-H223 PolarHBondContact O-N 2.81Å; Q220-H223 PolarHBondContact O-N 2.91Å; F221-H223 VanDerWaalsContact C-N 3.31Å; F221-H223 PolarHBondContact O-N 2.87Å; H223-T225 VanDerWaalsContact C-N 3.29Å; H223-T225 PolarHBondContact O-N 2.59Å; H223-Y226 PolarHBondContact O-N 2.62Å; H223-R227 WeakPolarHBondContact O-CG 3.12Å; H223-R227 PolarHBondContact O-N 2.92Å; H223-Y244 AromaticContact CE1-CD2 3.68Å; H223-Y244 AromaticContact CE1-CE2 3.18Å; H223-Y244 WeakPolarHBondContact CE1-CE2 3.4Å; H223-Y244 AromaticContact CE1-CZ 3.42Å; H223-Y244 VanDerWaalsContact CE1-CZ 3.42Å; H223-Y244 AromaticContact NE2-CD1 3.78Å; H223-Y244 AromaticContact NE2-CD2 3.31Å; H223-Y244 VanDerWaalsContact NE2-CD2 3.31Å; H223-Y244 WeakPolarHBondContact NE2-CD2 3.48Å; H223-Y244 AromaticContact NE2-CE1 3.74Å; H223-Y244 AromaticContact NE2-CE2 3.27Å; H223-Y244 VanDerWaalsContact NE2-CE2 3.27Å; H223-Y244 WeakPolarHBondContact NE2-CE2 3.17Å; H223-Y244 AromaticContact NE2-CG 3.57Å; H223-Y244 AromaticContact NE2-CZ 3.47Å; H223-V334 WeakPolarHBondContact CE1-CG1 3.41Å
224	R	97.9	Very high	97.8	Very high	34 Å²	34	30.9 Å²	30.9	13%	0.128	16%	0.158	C	C	.	.	H	α-helix	trans	-59.8	-42.8	173	-74.8	-170.7	-59.8	-84.5	2.9	110.8	W185 D189 Y216 Q220 F221 R227 K228	W185-R224 HydrophobicContact CH2-CB 3.76Å; W185-R224 HydrophobicContact CZ2-CB 4.11Å; D189-R224 IonicContact OD1-NE 2.82Å; D189-R224 IonicContact OD2-NE 3.79Å; D189-R224 IonicContact OD2-NH2 3.32Å; Y216-R224 VanDerWaalsContact CE1-NH2 3.31Å; Y216-R224 VanDerWaalsContact CE2-NH1 3.27Å; Y216-R224 PolarHBondContact OH-NH2 2.91Å; Q220-R224 WeakPolarHBondContact O-CG 3.4Å; Q220-R224 PolarHBondContact O-N 2.87Å; Q220-R224 PolarHBondContact O-NH1 3.34Å; F221-R224 PolarHBondContact O-N 3.47Å; R224-R227 PolarHBondContact O-N 2.89Å; R224-K228 WeakPolarHBondContact O-CB 3.17Å; R224-K228 PolarHBondContact O-N 2.81Å
225	T	98.4	Very high	97.7	Very high	0 Å²	0	36.2 Å²	36.2	0%	0	18%	0.18	C	C	.	.	H	α-helix	trans	-66.7	-44.7	178.2	-55.6	0	0	0	0	111.9	I107 M120 M182 W185 F221 V222 H223 R227 K228 L229	I107-T225 VanDerWaalsContact CD1-CB 3.42Å; I107-T225 HydrophobicContact CD1-CG2 3.43Å; I107-T225 VanDerWaalsContact CD1-CG2 3.43Å; M120-T225 HydrophobicContact CE-CG2 3.6Å; M182-T225 HydrophobicContact CG-CG2 4.01Å; M182-T225 HydrophobicContact SD-CG2 3.97Å; W185-T225 HydrophobicContact CZ3-CG2 4.5Å; F221-T225 PolarHBondContact O-N 2.94Å; F221-T225 PolarHBondContact O-OG1 3.06Å; V222-T225 PolarHBondContact O-N 3.03Å; H223-T225 VanDerWaalsContact C-N 3.29Å; H223-T225 PolarHBondContact O-N 2.59Å; T225-R227 PolarHBondContact O-N 3.5Å; T225-K228 CarbonylContact O-C 3.38Å; T225-K228 WeakPolarHBondContact O-CA 3.27Å; T225-K228 WeakPolarHBondContact O-CB 3.13Å; T225-K228 PolarHBondContact O-N 2.87Å; T225-K228 VanDerWaalsContact O-N 3.09Å; T225-L229 HydrophobicContact CG2-CD1 4.29Å; T225-L229 HydrophobicContact CG2-CG 4.45Å; T225-L229 WeakPolarHBondContact O-CG 3.36Å; T225-L229 PolarHBondContact O-N 2.82Å
226	Y	98.4	Very high	97.7	Very high	0 Å²	0	37 Å²	37	0%	0	18%	0.184	C	C	.	.	H	α-helix	trans	-61.3	-43.3	176.7	-68	-16	0	0	0	112	R83 I107 I171 V222 H223 K228 L229 T230 L236 L336	R83-Y226 WeakPolarHBondContact CA-OH 3.38Å; I107-Y226 HydrophobicContact CB-CE1 4.49Å; I107-Y226 HydrophobicContact CD1-CD1 3.89Å; I107-Y226 HydrophobicContact CD1-CE1 3.53Å; I107-Y226 HydrophobicContact CG1-CD1 4.5Å; I107-Y226 HydrophobicContact CG1-CE1 3.66Å; I107-Y226 HydrophobicContact CG2-CE1 4.05Å; I171-Y226 HydrophobicContact CD1-CD1 4.31Å; I171-Y226 HydrophobicContact CD1-CE1 3.64Å; I171-Y226 HydrophobicContact CD1-CE2 3.96Å; I171-Y226 VanDerWaalsContact CD1-CZ 3.45Å; V222-Y226 HydrophobicContact CG1-CD2 3.84Å; V222-Y226 HydrophobicContact CG1-CE1 4.08Å; V222-Y226 HydrophobicContact CG1-CE2 3.29Å; V222-Y226 HydrophobicContact CG1-CG 4.44Å; V222-Y226 VanDerWaalsContact CG1-CZ 3.42Å; V222-Y226 PolarHBondContact O-N 3.14Å; H223-Y226 PolarHBondContact O-N 2.62Å; Y226-K228 VanDerWaalsContact C-N 3.27Å; Y226-K228 PolarHBondContact O-N 3Å; Y226-L229 HydrophobicContact CD1-CD1 4.45Å; Y226-L229 PolarHBondContact O-N 2.93Å; Y226-T230 PolarHBondContact O-N 2.89Å; Y226-T230 PolarHBondContact O-OG1 2.94Å; Y226-L236 HydrophobicContact CD1-CD1 3.96Å; Y226-L236 HydrophobicContact CG-CD1 3.95Å; Y226-L336 HydrophobicContact CD2-CD2 3.43Å; Y226-L336 VanDerWaalsContact CD2-CD2 3.43Å; Y226-L336 HydrophobicContact CE2-CD2 3.57Å; Y226-L336 HydrophobicContact CG-CD2 4.32Å
227	R	98.4	Very high	97.6	Very high	122 Å²	122	40.6 Å²	40.6	46%	0.46	21%	0.21	S	C	.	.	H	α-helix	trans	-58.1	-43.5	172.3	-76	-172.8	-67.4	-126.8	-1.1	110.9	H223 R224 T225 L229 T230 E231 P337	H223-R227 WeakPolarHBondContact O-CG 3.12Å; H223-R227 PolarHBondContact O-N 2.92Å; R224-R227 PolarHBondContact O-N 2.89Å; T225-R227 PolarHBondContact O-N 3.5Å; R227-L229 PolarHBondContact O-N 3.17Å; R227-T230 PolarHBondContact O-N 2.91Å; R227-E231 WeakPolarHBondContact O-CG 3.39Å; R227-E231 PolarHBondContact O-N 2.84Å; R227-P337 HydrophobicContact CG-CB 3.75Å; R227-P337 HydrophobicContact CG-CG 3.92Å
228	K	98.6	Very high	97.5	Very high	47 Å²	47	41.8 Å²	41.8	20%	0.204	22%	0.219	C	C	.	.	H	α-helix	trans	-62.5	-41.8	178.2	-171.6	57.1	171.9	178.8	0	112.7	W185 R224 T225 Y226 E231 L232	W185-K228 HydrophobicContact CB-CG 4.23Å; W185-K228 HydrophobicContact CD2-CB 4.07Å; W185-K228 HydrophobicContact CD2-CD 4.14Å; W185-K228 HydrophobicContact CD2-CG 3.61Å; W185-K228 HydrophobicContact CE3-CB 4.01Å; W185-K228 HydrophobicContact CE3-CG 3.81Å; W185-K228 HydrophobicContact CG-CD 3.95Å; W185-K228 HydrophobicContact CG-CG 3.77Å; W185-K228 HydrophobicContact CZ3-CB 4.23Å; R224-K228 WeakPolarHBondContact O-CB 3.17Å; R224-K228 PolarHBondContact O-N 2.81Å; T225-K228 CarbonylContact O-C 3.38Å; T225-K228 WeakPolarHBondContact O-CA 3.27Å; T225-K228 WeakPolarHBondContact O-CB 3.13Å; T225-K228 PolarHBondContact O-N 2.87Å; T225-K228 VanDerWaalsContact O-N 3.09Å; Y226-K228 VanDerWaalsContact C-N 3.27Å; Y226-K228 PolarHBondContact O-N 3Å; K228-E231 VanDerWaalsContact CD-OE2 3.27Å; K228-E231 WeakPolarHBondContact CD-OE2 3.33Å; K228-E231 IonicContact NZ-OE2 2.66Å; K228-E231 PolarHBondContact NZ-OE2 3.2Å; K228-E231 WeakPolarHBondContact O-CB 3.3Å; K228-E231 PolarHBondContact O-N 2.82Å; K228-L232 HydrophobicContact CG-CD1 4.18Å; K228-L232 VanDerWaalsContact O-CG 3.23Å; K228-L232 WeakPolarHBondContact O-CG 3.47Å; K228-L232 PolarHBondContact O-N 2.81Å
229	L	98.6	Very high	97.3	Very high	0 Å²	0	53.1 Å²	53.1	0%	0	26%	0.261	C	S	.	.	H	α-helix	trans	-63.6	-43.1	175.9	-69.9	172.9	0	0	0	111.2	V81 F109 V174 M182 T225 Y226 R227 L232 G233 A234 L236	V81-L229 HydrophobicContact CG1-CD1 4.22Å; F109-L229 HydrophobicContact CE1-CD1 4.41Å; V174-L229 HydrophobicContact CG1-CD2 4.26Å; M182-L229 HydrophobicContact CB-CD2 3.74Å; M182-L229 HydrophobicContact CG-CD2 3.71Å; M182-L229 HydrophobicContact CG-CG 4.16Å; T225-L229 HydrophobicContact CG2-CD1 4.29Å; T225-L229 HydrophobicContact CG2-CG 4.45Å; T225-L229 WeakPolarHBondContact O-CG 3.36Å; T225-L229 PolarHBondContact O-N 2.82Å; Y226-L229 HydrophobicContact CD1-CD1 4.45Å; Y226-L229 PolarHBondContact O-N 2.93Å; R227-L229 PolarHBondContact O-N 3.17Å; L229-L232 CarbonylContact O-C 3.43Å; L229-L232 WeakPolarHBondContact O-CA 3.46Å; L229-L232 WeakPolarHBondContact O-CB 3.44Å; L229-L232 PolarHBondContact O-N 3.39Å; L229-L232 VanDerWaalsContact O-N 3.14Å; L229-G233 PolarHBondContact O-N 2.83Å; L229-A234 HydrophobicContact CB-CB 3.86Å; L229-A234 WeakPolarHBondContact O-CB 3.36Å; L229-A234 PolarHBondContact O-N 2.86Å; L229-L236 HydrophobicContact CB-CD1 4.48Å
230	T	97.8	Very high	97	Very high	45 Å²	45	55.5 Å²	55.5	28%	0.276	28%	0.277	S	S	.	.	H	α-helix	trans	-63.5	-41.4	175.6	-60.2	0	0	0	0	111.8	Y226 R227 L232 G233 P337	Y226-T230 PolarHBondContact O-N 2.89Å; Y226-T230 PolarHBondContact O-OG1 2.94Å; R227-T230 PolarHBondContact O-N 2.91Å; T230-L232 PolarHBondContact O-N 3.02Å; T230-G233 WeakPolarHBondContact O-CA 3.27Å; T230-G233 PolarHBondContact O-N 2.93Å; T230-P337 PolarHBondContact OG1-O 2.9Å
231	E	98.3	Very high	96.8	Very high	138 Å²	138	60.2 Å²	60.2	65%	0.645	30%	0.299	S	S	*	.	H	α-helix	trans	-57.4	-36.8	171.6	-74.7	172.5	-165.7	0	0	112.4	R227 K228 G233	R227-E231 WeakPolarHBondContact O-CG 3.39Å; R227-E231 PolarHBondContact O-N 2.84Å; K228-E231 VanDerWaalsContact CD-OE2 3.27Å; K228-E231 WeakPolarHBondContact CD-OE2 3.33Å; K228-E231 IonicContact NZ-OE2 2.66Å; K228-E231 PolarHBondContact NZ-OE2 3.2Å; K228-E231 WeakPolarHBondContact O-CB 3.3Å; K228-E231 PolarHBondContact O-N 2.82Å; E231-G233 PolarHBondContact O-N 2.92Å
232	L	98.2	Very high	96.5	Very high	54 Å²	54	60.5 Å²	60.5	28%	0.283	30%	0.301	S	S	.	.	T	Hydrogen-bonded Turn	trans	-78.1	-1	176	-66.5	168.6	0	0	0	112.8	Q178 A181 M182 K228 L229 T230	Q178-L232 HydrophobicContact CG-CB 4.3Å; Q178-L232 PolarHBondContact NE2-O 2.82Å; A181-L232 HydrophobicContact CB-CD1 4Å; A181-L232 HydrophobicContact CB-CD2 3.93Å; M182-L232 HydrophobicContact CB-CD1 3.97Å; K228-L232 HydrophobicContact CG-CD1 4.18Å; K228-L232 VanDerWaalsContact O-CG 3.23Å; K228-L232 WeakPolarHBondContact O-CG 3.47Å; K228-L232 PolarHBondContact O-N 2.81Å; L229-L232 CarbonylContact O-C 3.43Å; L229-L232 WeakPolarHBondContact O-CA 3.46Å; L229-L232 WeakPolarHBondContact O-CB 3.44Å; L229-L232 PolarHBondContact O-N 3.39Å; L229-L232 VanDerWaalsContact O-N 3.14Å; T230-L232 PolarHBondContact O-N 3.02Å
233	G	97.3	Very high	96.3	Very high	49 Å²	49	61.7 Å²	61.7	51%	0.505	31%	0.307	S	S	.	.	T	Hydrogen-bonded Turn	trans	97	12.7	175.2	0	0	0	0	0	115.3	L229 T230 E231	L229-G233 PolarHBondContact O-N 2.83Å; T230-G233 WeakPolarHBondContact O-CA 3.27Å; T230-G233 PolarHBondContact O-N 2.93Å; E231-G233 PolarHBondContact O-N 2.92Å
234	A	97.3	Very high	96.2	Very high	7 Å²	7	61.1 Å²	61.1	6%	0.058	30%	0.304	C	S	.	.			trans	-66.6	149.2	171.7	0	0	0	0	0	111	V174 L229 L236	V174-A234 HydrophobicContact CG1-CB 3.49Å; V174-A234 VanDerWaalsContact CG1-CB 3.49Å; L229-A234 HydrophobicContact CB-CB 3.86Å; L229-A234 WeakPolarHBondContact O-CB 3.36Å; L229-A234 PolarHBondContact O-N 2.86Å; A234-L236 HydrophobicContact CB-CD2 4.32Å; A234-L236 HydrophobicContact CB-CG 4.47Å
235	K	96.5	Very high	96	Very high	184 Å²	184	60.1 Å²	60.1	80%	0.8	30%	0.302	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-114.1	106.7	170.2	-65	-177.8	-177.6	179	0	108
236	L	97	Very high	95.8	Very high	22 Å²	22	60.6 Å²	60.6	12%	0.115	30%	0.304	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-101	135.1	-179.8	-54.1	179.7	0	0	0	109.2	I171 Y226 L229 A234 L336	I171-L236 HydrophobicContact CD1-CD2 4.44Å; I171-L236 HydrophobicContact CG1-CD2 4.48Å; I171-L236 CarbonylContact O-C 3.56Å; I171-L236 WeakPolarHBondContact O-CA 3.47Å; Y226-L236 HydrophobicContact CD1-CD1 3.96Å; Y226-L236 HydrophobicContact CG-CD1 3.95Å; L229-L236 HydrophobicContact CB-CD1 4.48Å; A234-L236 HydrophobicContact CB-CD2 4.32Å; A234-L236 HydrophobicContact CB-CG 4.47Å; L236-L336 HydrophobicContact CB-CD1 4.12Å
237	S	96.6	Very high	95.6	Very high	86 Å²	86	62.3 Å²	62.3	60%	0.601	31%	0.313	S	S	*	.			trans	-148.3	132.5	178.3	62.8	0	0	0	0	109.8	I171	I171-S237 CarbonylContact C-O 3.55Å; I171-S237 VanDerWaalsContact CA-O 3.31Å; I171-S237 WeakPolarHBondContact CA-O 3.31Å; I171-S237 PolarHBondContact O-N 3.47Å; I171-S237 VanDerWaalsContact O-O 3.07Å
238	S	94.8	Very high	95.5	Very high	36 Å²	36	57.1 Å²	57.1	25%	0.252	29%	0.293	S	S	.	.			trans	-106.9	143.4	174.7	-174.1	0	0	0	0	109.6	E169 S240	E169-S238 PolarHBondContact OE1-OG 2.79Å; E169-S238 PolarHBondContact OE2-OG 3.48Å; S238-S240 VanDerWaalsContact CB-O 3.31Å; S238-S240 WeakPolarHBondContact CB-O 2.99Å; S238-S240 PolarHBondContact OG-N 3.01Å; S238-S240 PolarHBondContact OG-O 3.33Å; S238-S240 PolarHBondContact OG-OG 2.75Å
239	R	92.2	Very high	95.5	Very high	251 Å²	251	54.9 Å²	54.9	95%	0.947	28%	0.284	S	S	*	.	S	Bend	trans	-84.5	-23.2	169.7	-61.3	-179.5	179.8	-177.8	1.1	111.4	E169	E169-R239 WeakPolarHBondContact OE1-CB 3.46Å; E169-R239 PolarHBondContact OE1-N 2.96Å
240	S	90	Very high	95.5	Very high	51 Å²	51	55 Å²	55	36%	0.357	28%	0.284	S	S	.	.	S	Bend	trans	-103.7	158.5	177.2	69.8	0	0	0	0	111.4	E169 S238 T242	E169-S240 PolarHBondContact OE2-OG 2.86Å; S238-S240 VanDerWaalsContact CB-O 3.31Å; S238-S240 WeakPolarHBondContact CB-O 2.99Å; S238-S240 PolarHBondContact OG-N 3.01Å; S238-S240 PolarHBondContact OG-O 3.33Å; S238-S240 PolarHBondContact OG-OG 2.75Å; S240-T242 PolarHBondContact O-N 2.84Å
241	Q	91.8	Very high	95.5	Very high	125 Å²	125	52.9 Å²	52.9	58%	0.584	27%	0.271	S	S	*	.			trans	-62.4	134.2	169.3	-69.3	-174.3	-59.1	0	0	109.7	N243 E333	Q241-N243 WeakPolarHBondContact CB-OD1 3.27Å; Q241-N243 PolarHBondContact O-N 3.07Å; Q241-E333 PolarHBondContact NE2-OE2 3.14Å
242	T	93.3	Very high	95.5	Very high	5 Å²	5	47.2 Å²	47.2	3%	0.031	25%	0.25	C	C	.	.			trans	-92.4	83.7	-179.5	50.4	0	0	0	0	109.7	S240 Y244 V334 P335 L336	S240-T242 PolarHBondContact O-N 2.84Å; T242-Y244 VanDerWaalsContact O-CD2 3.32Å; T242-Y244 WeakPolarHBondContact O-CD2 3.38Å; T242-Y244 VanDerWaalsContact O-CE2 3.3Å; T242-Y244 WeakPolarHBondContact O-CE2 3.45Å; T242-V334 PolarHBondContact O-N 2.63Å; T242-V334 VanDerWaalsContact O-O 3.12Å; T242-V334 PolarHBondContact OG1-O 3.19Å; T242-P335 WeakPolarHBondContact OG1-CA 3.17Å; T242-L336 HydrophobicContact CG2-CD1 4.38Å; T242-L336 HydrophobicContact CG2-CD2 4.31Å; T242-L336 HydrophobicContact CG2-CG 3.98Å
243	N	94.5	Very high	95.5	Very high	26 Å²	26	50.3 Å²	50.3	14%	0.139	26%	0.263	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-92.4	147	179.3	-71.4	37.1	0	0	0	111.9	R83 Q85 Q241 Y331 E332	R83-N243 PolarHBondContact NH2-O 3.32Å; Q85-N243 PolarHBondContact NE2-O 3.2Å; Q241-N243 WeakPolarHBondContact CB-OD1 3.27Å; Q241-N243 PolarHBondContact O-N 3.07Å; N243-Y331 VanDerWaalsContact C-CE2 3.46Å; N243-Y331 HydrophobicContact CB-CD1 3.73Å; N243-Y331 HydrophobicContact CB-CD2 4.03Å; N243-Y331 HydrophobicContact CB-CE1 3.32Å; N243-Y331 HydrophobicContact CB-CE2 3.63Å; N243-Y331 HydrophobicContact CB-CG 4.06Å; N243-Y331 PolarHBondContact ND2-O 3.45Å; N243-Y331 WeakPolarHBondContact O-CE2 3.45Å; N243-Y331 PolarHBondContact O-OH 3.13Å; N243-E332 CarbonylContact C-O 3.5Å; N243-E332 WeakPolarHBondContact CA-O 3.43Å
244	Y	94.8	Very high	95.6	Very high	1 Å²	1	48.4 Å²	48.4	0%	0.004	24%	0.241	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-136.2	146.3	-178.2	-63.7	-91.4	0	0	0	110.6	D105 V222 H223 T242 Y331 E332 V334	D105-Y244 HydrophobicContact CB-CD1 4.48Å; D105-Y244 HydrophobicContact CB-CE1 4.42Å; D105-Y244 WeakPolarHBondContact OD1-CD1 3.49Å; D105-Y244 WeakPolarHBondContact OD2-CD1 3.48Å; V222-Y244 HydrophobicContact CG1-CE1 4.36Å; H223-Y244 AromaticContact CE1-CD2 3.68Å; H223-Y244 AromaticContact CE1-CE2 3.18Å; H223-Y244 WeakPolarHBondContact CE1-CE2 3.4Å; H223-Y244 AromaticContact CE1-CZ 3.42Å; H223-Y244 VanDerWaalsContact CE1-CZ 3.42Å; H223-Y244 AromaticContact NE2-CD1 3.78Å; H223-Y244 AromaticContact NE2-CD2 3.31Å; H223-Y244 VanDerWaalsContact NE2-CD2 3.31Å; H223-Y244 WeakPolarHBondContact NE2-CD2 3.48Å; H223-Y244 AromaticContact NE2-CE1 3.74Å; H223-Y244 AromaticContact NE2-CE2 3.27Å; H223-Y244 VanDerWaalsContact NE2-CE2 3.27Å; H223-Y244 WeakPolarHBondContact NE2-CE2 3.17Å; H223-Y244 AromaticContact NE2-CG 3.57Å; H223-Y244 AromaticContact NE2-CZ 3.47Å; T242-Y244 VanDerWaalsContact O-CD2 3.32Å; T242-Y244 WeakPolarHBondContact O-CD2 3.38Å; T242-Y244 VanDerWaalsContact O-CE2 3.3Å; T242-Y244 WeakPolarHBondContact O-CE2 3.45Å; Y244-Y331 WeakPolarHBondContact O-CA 3.37Å; Y244-E332 PolarHBondContact N-O 3.18Å; Y244-E332 PolarHBondContact O-N 3.46Å; Y244-E332 VanDerWaalsContact O-N 3.13Å; Y244-V334 HydrophobicContact CD2-CB 3.76Å; Y244-V334 HydrophobicContact CD2-CG2 4.09Å; Y244-V334 HydrophobicContact CE2-CB 4.14Å
245	T	93.7	Very high	95.6	Very high	14 Å²	14	51 Å²	51	9%	0.086	26%	0.259	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-71.9	130.1	173.7	-55.5	0	0	0	0	109.4	H101 I102 M103 I329 T330	H101-T245 PolarHBondContact O-OG1 2.78Å; I102-T245 HydrophobicContact CG1-CG2 4.48Å; I102-T245 HydrophobicContact CG2-CG2 4.48Å; M103-T245 PolarHBondContact N-OG1 2.74Å; T245-I329 HydrophobicContact CG2-CG2 4Å; T245-T330 CarbonylContact C-O 3.54Å; T245-T330 WeakPolarHBondContact CA-O 3.44Å
246	K	93.4	Very high	95.6	Very high	10 Å²	10	47.8 Å²	47.8	4%	0.043	24%	0.243	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-126.4	135.7	170.5	-62.7	-65.4	-179.3	-169.2	0	109.7	S219 Y248 I329 T330 E332	S219-K246 PolarHBondContact OG-NZ 2.94Å; K246-Y248 HydrophobicContact CB-CD2 4.18Å; K246-Y248 HydrophobicContact CB-CE1 4.16Å; K246-Y248 HydrophobicContact CB-CE2 3.56Å; K246-Y248 HydrophobicContact CG-CE2 4.36Å; K246-I329 WeakPolarHBondContact O-CA 3.32Å; K246-T330 PolarHBondContact N-O 3.34Å; K246-T330 PolarHBondContact O-N 2.87Å; K246-E332 HydrophobicContact CG-CG 4.26Å
247	I	94.5	Very high	95.6	Very high	35 Å²	35	48.8 Å²	48.8	18%	0.179	25%	0.248	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-109.6	108.4	176.3	-54	174.2	0	0	0	107.2	T198 W199 T200 I329	T198-I247 HydrophobicContact CG2-CD1 3.84Å; W199-I247 HydrophobicContact CE3-CG2 3.61Å; W199-I247 HydrophobicContact CH2-CG2 4.34Å; W199-I247 HydrophobicContact CZ3-CG2 3.36Å; T200-I247 PolarHBondContact N-O 2.86Å; I247-I329 HydrophobicContact CG1-CG1 4.4Å; I247-I329 HydrophobicContact CG2-CG1 4.42Å
248	Y	96.9	Very high	95.6	Very high	13 Å²	13	44.8 Å²	44.8	5%	0.051	22%	0.221	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-101	134.3	-174.1	-70.3	-56.1	0	0	0	112.5	T200 R202 K246 V327 Q328 T330 E332	T200-Y248 HydrophobicContact CG2-CD1 3.84Å; T200-Y248 HydrophobicContact CG2-CE1 3.49Å; T200-Y248 VanDerWaalsContact CG2-CE1 3.49Å; T200-Y248 CarbonylContact O-C 3.54Å; T200-Y248 VanDerWaalsContact O-CA 3.3Å; T200-Y248 WeakPolarHBondContact O-CA 3.24Å; R202-Y248 HydrophobicContact CG-CD1 4.07Å; R202-Y248 HydrophobicContact CG-CE1 4.17Å; K246-Y248 HydrophobicContact CB-CD2 4.18Å; K246-Y248 HydrophobicContact CB-CE1 4.16Å; K246-Y248 HydrophobicContact CB-CE2 3.56Å; K246-Y248 HydrophobicContact CG-CE2 4.36Å; Y248-V327 CarbonylContact O-C 3.54Å; Y248-V327 VanDerWaalsContact O-CA 3.28Å; Y248-V327 WeakPolarHBondContact O-CA 3.45Å; Y248-Q328 PolarHBondContact N-O 3.26Å; Y248-Q328 PolarHBondContact O-N 3.45Å; Y248-T330 HydrophobicContact CD2-CG2 4.1Å; Y248-T330 HydrophobicContact CE2-CG2 4.31Å; Y248-T330 WeakPolarHBondContact CE2-OG1 3.39Å; Y248-E332 PolarHBondContact OH-OE1 3.27Å
249	L	98.2	Very high	95.7	Very high	0 Å²	0	46.2 Å²	46.2	0%	0	23%	0.225	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-102.5	135.8	156.6	-62.9	-179.8	0	0	0	109.1	W199 T200 V201 R202 F309 L320 M322 Y326 V327	W199-L249 HydrophobicContact CB-CD1 3.98Å; W199-L249 HydrophobicContact CB-CG 4.28Å; W199-L249 HydrophobicContact CD2-CD1 3.72Å; W199-L249 HydrophobicContact CD2-CD2 4.22Å; W199-L249 HydrophobicContact CD2-CG 3.84Å; W199-L249 HydrophobicContact CE3-CD1 3.91Å; W199-L249 HydrophobicContact CE3-CD2 3.62Å; W199-L249 HydrophobicContact CE3-CG 3.47Å; W199-L249 VanDerWaalsContact CE3-CG 3.47Å; W199-L249 HydrophobicContact CG-CD1 3.76Å; W199-L249 HydrophobicContact CG-CG 4.2Å; W199-L249 HydrophobicContact CH2-CD2 4.31Å; W199-L249 HydrophobicContact CZ3-CD2 3.65Å; W199-L249 HydrophobicContact CZ3-CG 4.07Å; T200-L249 PolarHBondContact O-N 3.21Å; V201-L249 CarbonylContact C-O 3.53Å; V201-L249 WeakPolarHBondContact CA-O 3.42Å; V201-L249 HydrophobicContact CB-CB 4.48Å; V201-L249 HydrophobicContact CG1-CB 4.09Å; V201-L249 HydrophobicContact CG2-CB 4.16Å; V201-L249 HydrophobicContact CG2-CD1 4.31Å; R202-L249 PolarHBondContact N-O 3.32Å; L249-F309 HydrophobicContact CD1-CD1 3.89Å; L249-F309 HydrophobicContact CD1-CD2 4.32Å; L249-F309 HydrophobicContact CD1-CE1 3.66Å; L249-F309 HydrophobicContact CD1-CE2 4.12Å; L249-F309 HydrophobicContact CD1-CG 4.24Å; L249-F309 HydrophobicContact CD1-CZ 3.79Å; L249-F309 HydrophobicContact CD2-CD2 4.49Å; L249-F309 HydrophobicContact CD2-CE2 4.27Å; L249-L320 HydrophobicContact CD1-CD1 3.81Å; L249-M322 HydrophobicContact CB-CE 4.13Å; L249-M322 HydrophobicContact CD2-CE 3.99Å; L249-Y326 WeakPolarHBondContact CA-O 3.36Å; L249-V327 HydrophobicContact CD2-CB 4.42Å; L249-V327 HydrophobicContact CD2-CG1 4.3Å; L249-V327 HydrophobicContact CD2-CG2 3.71Å
250	Y	98.4	Very high	95.8	Very high	4 Å²	4	36.6 Å²	36.6	2%	0.016	19%	0.193	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-108.7	125.9	174.9	-61.5	-75.7	0	0	0	110.7	R202 D204 P205 M322 K323 P325 Y326 Q328	R202-Y250 HydrophobicContact CB-CD1 4.17Å; R202-Y250 HydrophobicContact CB-CE1 4.19Å; R202-Y250 WeakPolarHBondContact O-CA 3.31Å; D204-Y250 VanDerWaalsContact C-CD1 3.44Å; D204-Y250 WeakPolarHBondContact O-CE1 3.21Å; P205-Y250 VanDerWaalsContact CA-CE1 3.42Å; P205-Y250 HydrophobicContact CB-CE1 3.89Å; P205-Y250 WeakPolarHBondContact CB-OH 3.5Å; P205-Y250 VanDerWaalsContact N-CE1 3.35Å; Y250-M322 WeakPolarHBondContact O-CA 3.36Å; Y250-M322 WeakPolarHBondContact O-CE 3.46Å; Y250-K323 WeakPolarHBondContact CB-O 3.49Å; Y250-K323 PolarHBondContact O-N 3.49Å; Y250-P325 VanDerWaalsContact CD2-CD 3.46Å; Y250-P325 HydrophobicContact CD2-CG 3.46Å; Y250-P325 VanDerWaalsContact CD2-CG 3.46Å; Y250-P325 HydrophobicContact CE2-CG 3.43Å; Y250-P325 VanDerWaalsContact CE2-CG 3.43Å; Y250-P325 HydrophobicContact CG-CG 4.32Å; Y250-Y326 PolarHBondContact N-O 3.24Å; Y250-Q328 HydrophobicContact CE2-CB 3.65Å; Y250-Q328 PolarHBondContact OH-OE1 3.19Å
251	S	98.5	Very high	96	Very high	0 Å²	0	38.7 Å²	38.7	0%	0	21%	0.208	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-148.4	160.5	-177.3	59.1	0	0	0	0	112.5	V201 R202 S203 W212 P321	V201-S251 VanDerWaalsContact CG1-OG 3.27Å; V201-S251 WeakPolarHBondContact CG1-OG 3.23Å; R202-S251 PolarHBondContact O-N 3Å; S203-S251 VanDerWaalsContact CA-O 3.31Å; S203-S251 WeakPolarHBondContact CA-O 3.37Å; W212-S251 PolarHBondContact NE1-O 3.21Å; W212-S251 VanDerWaalsContact NE1-O 3.13Å; S251-P321 CarbonylContact C-O 3.56Å; S251-P321 VanDerWaalsContact CA-O 3.23Å; S251-P321 WeakPolarHBondContact CA-O 3.22Å; S251-P321 WeakPolarHBondContact CB-O 3.45Å
252	G	98.2	Very high	96.1	Very high	19 Å²	19	34.1 Å²	34.1	20%	0.196	19%	0.191	C	C	.	.	S	Bend	trans	-65.6	-171.7	160.5	0	0	0	0	0	111.2	W212 P254 P321	W212-G252 PolarHBondContact NE1-O 3.5Å; G252-P254 VanDerWaalsContact O-CD 3.3Å; G252-P254 WeakPolarHBondContact O-CD 3.13Å; G252-P321 PolarHBondContact N-O 3.06Å
253	E	98	Very high	96.2	Very high	118 Å²	118	33.9 Å²	33.9	55%	0.551	19%	0.189	S	C	*	.	S	Bend	trans	-61	123.6	180	-171.3	167.9	-173.3	0	0	111.2	W37 W212	W37-E253 HydrophobicContact CZ2-CG 3.62Å; W37-E253 PolarHBondContact NE1-OE1 3.19Å; W37-E253 VanDerWaalsContact NE1-OE1 3.1Å; W212-E253 HydrophobicContact CH2-CB 4.02Å; W212-E253 HydrophobicContact CH2-CG 4.19Å; W212-E253 HydrophobicContact CZ2-CB 4.28Å; W212-E253 HydrophobicContact CZ3-CB 4.47Å; W212-E253 HydrophobicContact CZ3-CG 4.16Å
254	P	98.4	Very high	96.2	Very high	9 Å²	9	33.6 Å²	33.6	6%	0.058	19%	0.187	C	C	.	.			trans	-64.3	146.5	180	-26	36.7	0	0	0	113	W37 W212 F213 G252 W318 H319 L320	W37-P254 HydrophobicContact CH2-CB 4.1Å; W37-P254 HydrophobicContact CH2-CG 4.13Å; W37-P254 HydrophobicContact CZ3-CG 4.32Å; W212-P254 HydrophobicContact CB-CG 3.72Å; W212-P254 HydrophobicContact CD2-CG 4.23Å; W212-P254 HydrophobicContact CG-CG 3.72Å; F213-P254 HydrophobicContact CD2-CG 4.39Å; F213-P254 HydrophobicContact CE2-CB 3.83Å; F213-P254 HydrophobicContact CE2-CG 3.63Å; F213-P254 HydrophobicContact CZ-CB 4.31Å; F213-P254 HydrophobicContact CZ-CG 4.46Å; G252-P254 VanDerWaalsContact O-CD 3.3Å; G252-P254 WeakPolarHBondContact O-CD 3.13Å; P254-W318 HydrophobicContact CB-CE3 4.04Å; P254-H319 WeakPolarHBondContact CA-O 3.45Å; P254-L320 HydrophobicContact CB-CD2 3.76Å; P254-L320 HydrophobicContact CG-CD2 3.79Å
255	S	97.8	Very high	95.9	Very high	61 Å²	61	36.3 Å²	36.3	43%	0.427	22%	0.215	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-107.5	124.5	174.9	-60.7	0	0	0	0	110.8	W318 H319	S255-W318 WeakPolarHBondContact O-CA 3.42Å; S255-H319 PolarHBondContact N-O 3.31Å; S255-H319 PolarHBondContact O-N 3.22Å
256	Y	97.5	Very high	95.6	Very high	118 Å²	118	40.4 Å²	40.4	46%	0.463	23%	0.234	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-66.8	130	174.4	-179.6	-109.3	0	0	0	110.9	E316 W318	Y256-E316 HydrophobicContact CE2-CB 3.81Å; Y256-E316 HydrophobicContact CE2-CG 3.99Å; Y256-E316 WeakPolarHBondContact CE2-OE2 3.38Å; Y256-W318 HydrophobicContact CD2-CD2 4.15Å; Y256-W318 AromaticContact CD2-CE2 3.71Å; Y256-W318 HydrophobicContact CD2-CE3 4.41Å; Y256-W318 AromaticContact CD2-CH2 3.87Å; Y256-W318 HydrophobicContact CD2-CH2 3.87Å; Y256-W318 AromaticContact CD2-CZ2 3.56Å; Y256-W318 HydrophobicContact CD2-CZ2 3.56Å; Y256-W318 HydrophobicContact CD2-CZ3 4.3Å; Y256-W318 HydrophobicContact CE2-CZ2 4.27Å; Y256-W318 HydrophobicContact CG-CH2 4.32Å; Y256-W318 HydrophobicContact CG-CZ2 4.44Å; Y256-W318 HydrophobicContact CG-CZ3 4.48Å
257	L	96.9	Very high	95.3	Very high	42 Å²	42	45.7 Å²	45.7	22%	0.22	27%	0.269	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-106.2	-33	-179.7	-57.1	175.5	0	0	0	112.9	I263 L272 I276 Y310 Y317 H319	L257-I263 HydrophobicContact CB-CD1 3.83Å; L257-L272 HydrophobicContact CB-CD2 4.38Å; L257-L272 HydrophobicContact CD1-CD1 4.31Å; L257-L272 HydrophobicContact CD2-CD2 4.4Å; L257-I276 HydrophobicContact CD1-CD1 4.23Å; L257-Y310 HydrophobicContact CD1-CD1 3.63Å; L257-Y310 HydrophobicContact CD1-CE1 3.68Å; L257-Y317 VanDerWaalsContact CB-O 3.3Å; L257-Y317 WeakPolarHBondContact CB-O 3.28Å; L257-Y317 PolarHBondContact N-O 2.92Å; L257-H319 HydrophobicContact CD1-CB 4Å; L257-H319 HydrophobicContact CD2-CB 3.99Å; L257-H319 HydrophobicContact CG-CB 4.19Å
258	G	96.3	Very high	95.1	Very high	3 Å²	3	48.4 Å²	48.4	3%	0.031	30%	0.297	C	S	.	.	E	Extended strand (participates in β ladder)	trans	131.3	178	-176.7	0	0	0	0	0	113.5	Y317	G258-Y317 PolarHBondContact O-N 2.89Å
259	N	96.5	Very high	94.9	Very high	65 Å²	65	50.6 Å²	50.6	35%	0.348	31%	0.309	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-93.1	-179.4	172.1	65.4	32.5	0	0	0	112.1	S261 A262 I263 E316	N259-S261 VanDerWaalsContact C-N 3.33Å; N259-S261 PolarHBondContact O-N 2.79Å; N259-S261 PolarHBondContact OD1-N 2.76Å; N259-S261 VanDerWaalsContact OD1-N 3.14Å; N259-A262 PolarHBondContact O-N 3.19Å; N259-A262 WeakPolarHBondContact OD1-CB 3.18Å; N259-A262 PolarHBondContact OD1-N 2.92Å; N259-I263 PolarHBondContact O-N 3.38Å; N259-E316 HydrophobicContact CB-CG 4.18Å
260	D	94.9	Very high	94.7	Very high	50 Å²	50	56.3 Å²	56.3	27%	0.267	33%	0.333	S	S	.	.	H	α-helix	trans	-52.8	-47.5	-179.3	-72.6	-31.9	0	0	0	113	A142 A262 F264 Y317	A142-D260 HydrophobicContact CB-CB 4.15Å; D260-A262 PolarHBondContact O-N 3Å; D260-F264 WeakPolarHBondContact O-CB 3.37Å; D260-F264 WeakPolarHBondContact O-CD2 3.28Å; D260-F264 PolarHBondContact O-N 3.4Å; D260-Y317 WeakPolarHBondContact OD1-CE2 3.35Å; D260-Y317 PolarHBondContact OD1-OH 3.45Å
261	S	93.1	Very high	94.5	Very high	95 Å²	95	61.6 Å²	61.6	66%	0.664	36%	0.362	S	S	*	.	H	α-helix	trans	-68.8	-36.8	-177.8	-65.8	0	0	0	0	112.3	N259 G265	N259-S261 VanDerWaalsContact C-N 3.33Å; N259-S261 PolarHBondContact O-N 2.79Å; N259-S261 PolarHBondContact OD1-N 2.76Å; N259-S261 VanDerWaalsContact OD1-N 3.14Å; S261-G265 WeakPolarHBondContact O-CA 3.48Å; S261-G265 PolarHBondContact O-N 3.01Å
262	A	94.4	Very high	94.4	Very high	28 Å²	28	63.3 Å²	63.3	23%	0.231	37%	0.371	C	S	.	.	H	α-helix	trans	-67.7	-43.9	179.7	0	0	0	0	0	111.8	N259 D260 Q266 L269	N259-A262 PolarHBondContact O-N 3.19Å; N259-A262 WeakPolarHBondContact OD1-CB 3.18Å; N259-A262 PolarHBondContact OD1-N 2.92Å; D260-A262 PolarHBondContact O-N 3Å; A262-Q266 VanDerWaalsContact O-CG 3.25Å; A262-Q266 WeakPolarHBondContact O-CG 3.49Å; A262-L269 WeakPolarHBondContact O-CD1 3.09Å
263	I	95.9	Very high	94.3	Very high	0 Å²	0	62.4 Å²	62.4	0%	0	36%	0.362	C	S	.	.	H	α-helix	trans	-85.8	-51.1	-174.3	-64.2	170.7	0	0	0	111.6	L257 N259 L272 A273 I276 Y317	L257-I263 HydrophobicContact CB-CD1 3.83Å; N259-I263 PolarHBondContact O-N 3.38Å; I263-L272 HydrophobicContact CG1-CD2 4.47Å; I263-L272 HydrophobicContact CG2-CD2 4.4Å; I263-L272 HydrophobicContact CG2-CG 4.37Å; I263-A273 HydrophobicContact CG2-CB 4Å; I263-I276 HydrophobicContact CD1-CD1 4.14Å; I263-I276 HydrophobicContact CG2-CD1 4.05Å; I263-Y317 HydrophobicContact CD1-CD2 3.69Å; I263-Y317 HydrophobicContact CD1-CG 3.99Å
264	F	94.5	Very high	94.2	Very high	21 Å²	21	60.7 Å²	60.7	9%	0.092	36%	0.355	C	S	.	.	H	α-helix	trans	-91.1	-15.2	-170.7	-58.6	-84.3	0	0	0	113	F141 A142 P143 D260 A273 I276 R277 Y317	F141-F264 HydrophobicContact CD1-CB 3.79Å; F141-F264 AromaticContact CD1-CD1 3.75Å; F141-F264 HydrophobicContact CD1-CD1 3.75Å; F141-F264 HydrophobicContact CD1-CG 4.26Å; F141-F264 WeakPolarHBondContact CD1-O 3.25Å; F141-F264 HydrophobicContact CE1-CD1 4.06Å; F141-F264 HydrophobicContact CG-CD1 4.38Å; F141-F264 WeakPolarHBondContact O-CD1 3.36Å; A142-F264 HydrophobicContact CB-CB 4.11Å; A142-F264 HydrophobicContact CB-CD2 3.8Å; A142-F264 HydrophobicContact CB-CE2 4.39Å; A142-F264 HydrophobicContact CB-CG 3.88Å; P143-F264 HydrophobicContact CG-CE1 4.41Å; P143-F264 HydrophobicContact CG-CZ 4.05Å; D260-F264 WeakPolarHBondContact O-CB 3.37Å; D260-F264 WeakPolarHBondContact O-CD2 3.28Å; D260-F264 PolarHBondContact O-N 3.4Å; F264-A273 HydrophobicContact CD1-CB 3.63Å; F264-A273 HydrophobicContact CE1-CB 3.8Å; F264-A273 HydrophobicContact CG-CB 4.44Å; F264-I276 HydrophobicContact CZ-CB 4.3Å; F264-I276 HydrophobicContact CZ-CD1 4.43Å; F264-I276 HydrophobicContact CZ-CG2 3.97Å; F264-R277 HydrophobicContact CE1-CG 4.07Å; F264-Y317 HydrophobicContact CD2-CE2 4.47Å; F264-Y317 HydrophobicContact CE2-CD2 4.25Å; F264-Y317 HydrophobicContact CE2-CE1 4.38Å; F264-Y317 AromaticContact CE2-CE2 3.6Å; F264-Y317 HydrophobicContact CE2-CE2 3.6Å; F264-Y317 AromaticContact CE2-CZ 3.67Å; F264-Y317 HydrophobicContact CZ-CE2 4.46Å
265	G	87.9	Confident	94	Very high	58 Å²	58	64.3 Å²	64.3	60%	0.598	37%	0.374	S	S	*	.	S	Bend	trans	-87.8	-12.9	176.2	0	0	0	0	0	114.8	S261	S261-G265 WeakPolarHBondContact O-CA 3.48Å; S261-G265 PolarHBondContact O-N 3.01Å
266	Q	88.2	Confident	94	Very high	100 Å²	100	61.4 Å²	61.4	47%	0.467	35%	0.353	S	S	.	.			trans	-108.9	120.6	-172.1	-64.1	-169.9	22.8	0	0	112.6	A262 A268 L269	A262-Q266 VanDerWaalsContact O-CG 3.25Å; A262-Q266 WeakPolarHBondContact O-CG 3.49Å; Q266-A268 PolarHBondContact O-N 3.15Å; Q266-A268 VanDerWaalsContact O-N 3.12Å; Q266-L269 PolarHBondContact O-N 3.21Å; Q266-L269 VanDerWaalsContact O-N 3.07Å
267	P	86.8	Confident	93.9	Very high	121 Å²	121	58 Å²	58	79%	0.786	34%	0.34	S	S	*	.	G	3₁₀ helix	trans	-57.8	-29.5	177.5	-26.9	35	0	0	0	114.3	L269 K270	P267-L269 VanDerWaalsContact C-N 3.27Å; P267-L269 PolarHBondContact O-N 3.4Å; P267-K270 VanDerWaalsContact O-CB 3.31Å; P267-K270 WeakPolarHBondContact O-CB 3.41Å; P267-K270 PolarHBondContact O-N 2.96Å
268	A	89.5	Confident	93.7	Very high	92 Å²	92	60.8 Å²	60.8	76%	0.76	35%	0.352	S	S	*	.	G	3₁₀ helix	trans	-66.6	-26.2	179.3	0	0	0	0	0	113.4	Q266	Q266-A268 PolarHBondContact O-N 3.15Å; Q266-A268 VanDerWaalsContact O-N 3.12Å
269	L	93.2	Very high	93.7	Very high	59 Å²	59	60.9 Å²	60.9	31%	0.309	35%	0.351	S	S	.	.	G	3₁₀ helix	trans	-101.7	16.7	179.6	-63.6	-178.8	0	0	0	112.8	A262 Q266 P267 N271 L272 A273	A262-L269 WeakPolarHBondContact O-CD1 3.09Å; Q266-L269 PolarHBondContact O-N 3.21Å; Q266-L269 VanDerWaalsContact O-N 3.07Å; P267-L269 VanDerWaalsContact C-N 3.27Å; P267-L269 PolarHBondContact O-N 3.4Å; L269-N271 VanDerWaalsContact C-N 3.26Å; L269-N271 PolarHBondContact O-N 3.17Å; L269-L272 PolarHBondContact O-N 3.48Å; L269-L272 VanDerWaalsContact O-N 3.17Å; L269-A273 PolarHBondContact O-N 2.74Å
270	K	92.8	Very high	93.6	Very high	119 Å²	119	58 Å²	58	52%	0.517	34%	0.335	S	S	.	.	H	α-helix	trans	-54.4	-39.5	-177.9	-175.9	-179.6	178.4	-176.8	0	113.2	P267 A273 M274	P267-K270 VanDerWaalsContact O-CB 3.31Å; P267-K270 WeakPolarHBondContact O-CB 3.41Å; P267-K270 PolarHBondContact O-N 2.96Å; K270-A273 PolarHBondContact O-N 3.42Å; K270-M274 HydrophobicContact CG-CE 4.22Å; K270-M274 HydrophobicContact CG-SD 4.31Å; K270-M274 VanDerWaalsContact O-CG 3.29Å; K270-M274 WeakPolarHBondContact O-CG 3.37Å; K270-M274 PolarHBondContact O-N 2.88Å
271	N	95.5	Very high	93.5	Very high	115 Å²	115	58.7 Å²	58.7	62%	0.615	34%	0.337	S	S	*	.	H	α-helix	trans	-64.5	-50.4	179.4	-67.7	-10.9	0	0	0	111.1	L269 A273 M274 D275	L269-N271 VanDerWaalsContact C-N 3.26Å; L269-N271 PolarHBondContact O-N 3.17Å; N271-A273 VanDerWaalsContact C-N 3.3Å; N271-A273 PolarHBondContact O-N 3.11Å; N271-M274 PolarHBondContact O-N 3.15Å; N271-M274 VanDerWaalsContact O-N 3.09Å; N271-M274 WeakPolarHBondContact OD1-CE 3.49Å; N271-D275 PolarHBondContact O-N 3.25Å
272	L	96.3	Very high	93.3	Very high	37 Å²	37	54.6 Å²	54.6	19%	0.194	31%	0.308	C	S	.	.	H	α-helix	trans	-57.2	-43.5	175.5	177.6	62.5	0	0	0	112	L257 I263 L269 M274 D275 I276 Y310	L257-L272 HydrophobicContact CB-CD2 4.38Å; L257-L272 HydrophobicContact CD1-CD1 4.31Å; L257-L272 HydrophobicContact CD2-CD2 4.4Å; I263-L272 HydrophobicContact CG1-CD2 4.47Å; I263-L272 HydrophobicContact CG2-CD2 4.4Å; I263-L272 HydrophobicContact CG2-CG 4.37Å; L269-L272 PolarHBondContact O-N 3.48Å; L269-L272 VanDerWaalsContact O-N 3.17Å; L272-M274 VanDerWaalsContact C-N 3.33Å; L272-M274 PolarHBondContact O-N 3.22Å; L272-D275 PolarHBondContact O-N 2.81Å; L272-I276 HydrophobicContact CD1-CD1 4.01Å; L272-I276 HydrophobicContact CD1-CG1 4.24Å; L272-I276 HydrophobicContact CG-CD1 3.94Å; L272-I276 WeakPolarHBondContact O-CG1 3.37Å; L272-I276 PolarHBondContact O-N 2.9Å; L272-Y310 HydrophobicContact CD1-CE1 4.09Å
273	A	96.1	Very high	92.9	Very high	0 Å²	0	55.8 Å²	55.8	0%	0	31%	0.308	C	S	.	.	H	α-helix	trans	-62.1	-39.6	177.4	0	0	0	0	0	112.5	F141 I263 F264 L269 K270 N271 R277	F141-A273 HydrophobicContact CD1-CB 4.34Å; F141-A273 HydrophobicContact CE1-CB 3.43Å; F141-A273 VanDerWaalsContact CE1-CB 3.43Å; F141-A273 HydrophobicContact CZ-CB 3.95Å; I263-A273 HydrophobicContact CG2-CB 4Å; F264-A273 HydrophobicContact CD1-CB 3.63Å; F264-A273 HydrophobicContact CE1-CB 3.8Å; F264-A273 HydrophobicContact CG-CB 4.44Å; L269-A273 PolarHBondContact O-N 2.74Å; K270-A273 PolarHBondContact O-N 3.42Å; N271-A273 VanDerWaalsContact C-N 3.3Å; N271-A273 PolarHBondContact O-N 3.11Å; A273-R277 VanDerWaalsContact O-CG 3.32Å; A273-R277 WeakPolarHBondContact O-CG 3.43Å; A273-R277 PolarHBondContact O-N 2.91Å; A273-R277 VanDerWaalsContact O-N 3.13Å
274	M	95.2	Very high	92.3	Very high	82 Å²	82	59.4 Å²	59.4	40%	0.404	32%	0.321	S	S	.	.	H	α-helix	trans	-67.6	-41	174.3	-70.8	-176.1	-52.1	0	0	111.6	F141 K270 N271 L272 R277 Q278	F141-M274 HydrophobicContact CZ-CG 4.35Å; K270-M274 HydrophobicContact CG-CE 4.22Å; K270-M274 HydrophobicContact CG-SD 4.31Å; K270-M274 VanDerWaalsContact O-CG 3.29Å; K270-M274 WeakPolarHBondContact O-CG 3.37Å; K270-M274 PolarHBondContact O-N 2.88Å; N271-M274 PolarHBondContact O-N 3.15Å; N271-M274 VanDerWaalsContact O-N 3.09Å; N271-M274 WeakPolarHBondContact OD1-CE 3.49Å; L272-M274 VanDerWaalsContact C-N 3.33Å; L272-M274 PolarHBondContact O-N 3.22Å; M274-R277 PolarHBondContact O-N 3.39Å; M274-Q278 WeakPolarHBondContact O-CB 3.33Å; M274-Q278 PolarHBondContact O-N 3.38Å
275	D	95.4	Very high	91.3	Very high	85 Å²	85	61.4 Å²	61.4	46%	0.455	34%	0.337	S	S	.	.	H	α-helix	trans	-62.8	-45.5	179.1	-63.8	-19.5	0	0	0	111.1	N271 L272 R277 Q278 F279	N271-D275 PolarHBondContact O-N 3.25Å; L272-D275 PolarHBondContact O-N 2.81Å; D275-R277 PolarHBondContact O-N 3.14Å; D275-Q278 PolarHBondContact O-N 2.83Å; D275-F279 WeakPolarHBondContact O-CB 3.49Å; D275-F279 PolarHBondContact O-N 2.83Å
276	I	96.6	Very high	90.5	Very high	0 Å²	0	67.8 Å²	67.8	0%	0	35%	0.351	C	S	.	.	H	α-helix	trans	-61.7	-44.8	175.9	-68.1	167	0	0	0	111	P143 L257 I263 F264 L272 Q278 F279 Y280 Y310 Y317	P143-I276 HydrophobicContact CG-CG2 4.48Å; L257-I276 HydrophobicContact CD1-CD1 4.23Å; I263-I276 HydrophobicContact CD1-CD1 4.14Å; I263-I276 HydrophobicContact CG2-CD1 4.05Å; F264-I276 HydrophobicContact CZ-CB 4.3Å; F264-I276 HydrophobicContact CZ-CD1 4.43Å; F264-I276 HydrophobicContact CZ-CG2 3.97Å; L272-I276 HydrophobicContact CD1-CD1 4.01Å; L272-I276 HydrophobicContact CD1-CG1 4.24Å; L272-I276 HydrophobicContact CG-CD1 3.94Å; L272-I276 WeakPolarHBondContact O-CG1 3.37Å; L272-I276 PolarHBondContact O-N 2.9Å; I276-Q278 VanDerWaalsContact C-N 3.35Å; I276-Q278 PolarHBondContact O-N 3.32Å; I276-F279 PolarHBondContact O-N 3.07Å; I276-Y280 HydrophobicContact CG2-CD2 3.72Å; I276-Y280 HydrophobicContact CG2-CE2 3.54Å; I276-Y280 VanDerWaalsContact O-CD2 3.27Å; I276-Y280 WeakPolarHBondContact O-CD2 3.46Å; I276-Y280 PolarHBondContact O-N 2.04Å; I276-Y280 VanDerWaalsContact O-N 3.09Å; I276-Y310 HydrophobicContact CD1-CD1 4.32Å; I276-Y310 HydrophobicContact CD1-CE1 4.38Å; I276-Y310 HydrophobicContact CG1-CD1 3.65Å; I276-Y310 HydrophobicContact CG1-CD2 4.2Å; I276-Y310 HydrophobicContact CG1-CE1 3.69Å; I276-Y310 HydrophobicContact CG1-CE2 4.24Å; I276-Y310 HydrophobicContact CG1-CG 3.9Å; I276-Y317 HydrophobicContact CD1-CD1 4.4Å; I276-Y317 HydrophobicContact CD1-CG 4.4Å; I276-Y317 HydrophobicContact CG2-CD1 3.98Å; I276-Y317 HydrophobicContact CG2-CE1 3.96Å
277	R	95.6	Very high	90	Very high	46 Å²	46	64.9 Å²	64.9	17%	0.174	34%	0.337	C	S	.	.	H	α-helix	trans	-62.9	-42.4	176.8	-74.9	177.2	72.5	86	-3.7	111.5	L136 R137 M140 F141 P143 F264 A273 M274 D275 Y280 H281	L136-R277 WeakPolarHBondContact CD1-O 3.39Å; L136-R277 HydrophobicContact CD2-CG 4.46Å; R137-R277 PolarHBondContact O-NH2 3.22Å; M140-R277 PolarHBondContact O-NH1 2.68Å; F141-R277 VanDerWaalsContact C-NH1 3.26Å; F141-R277 VanDerWaalsContact O-CD 3.3Å; F141-R277 WeakPolarHBondContact O-CD 3.46Å; F141-R277 PolarHBondContact O-NH1 2.65Å; P143-R277 HydrophobicContact CG-CG 4.37Å; F264-R277 HydrophobicContact CE1-CG 4.07Å; A273-R277 VanDerWaalsContact O-CG 3.32Å; A273-R277 WeakPolarHBondContact O-CG 3.43Å; A273-R277 PolarHBondContact O-N 2.91Å; A273-R277 VanDerWaalsContact O-N 3.13Å; M274-R277 PolarHBondContact O-N 3.39Å; D275-R277 PolarHBondContact O-N 3.14Å; R277-Y280 PolarHBondContact O-N 2.9Å; R277-H281 WeakPolarHBondContact O-CB 3.2Å; R277-H281 PolarHBondContact O-N 3.12Å
278	Q	93.7	Very high	89.8	Confident	101 Å²	101	61.8 Å²	61.8	47%	0.472	32%	0.318	S	S	.	.	H	α-helix	trans	-64.3	-43.2	179.3	-176.6	59.6	38.6	0	0	110.9	M274 D275 I276 Y280 H281	M274-Q278 WeakPolarHBondContact O-CB 3.33Å; M274-Q278 PolarHBondContact O-N 3.38Å; D275-Q278 PolarHBondContact O-N 2.83Å; I276-Q278 VanDerWaalsContact C-N 3.35Å; I276-Q278 PolarHBondContact O-N 3.32Å; Q278-Y280 PolarHBondContact O-N 3.2Å; Q278-H281 VanDerWaalsContact O-CB 3.32Å; Q278-H281 WeakPolarHBondContact O-CB 3.26Å; Q278-H281 PolarHBondContact O-N 2.96Å
279	F	95.4	Very high	89.3	Confident	5 Å²	5	64.1 Å²	64.1	2%	0.022	32%	0.317	C	S	.	.	H	α-helix	trans	-54.9	-53.8	174.2	173.2	-97.4	0	0	0	111.4	D275 I276 H281 T282 F283 E302 V303 F309 Y310	D275-F279 WeakPolarHBondContact O-CB 3.49Å; D275-F279 PolarHBondContact O-N 2.83Å; I276-F279 PolarHBondContact O-N 3.07Å; F279-H281 VanDerWaalsContact C-N 3.26Å; F279-H281 PolarHBondContact O-N 3.33Å; F279-T282 PolarHBondContact O-N 2.78Å; F279-T282 PolarHBondContact O-OG1 3.06Å; F279-F283 HydrophobicContact CD1-CE2 4.37Å; F279-F283 HydrophobicContact CD2-CE2 4.4Å; F279-F283 HydrophobicContact CE1-CD2 4.45Å; F279-F283 AromaticContact CE1-CE2 3.92Å; F279-F283 HydrophobicContact CE1-CE2 3.92Å; F279-F283 AromaticContact CE2-CE2 3.95Å; F279-F283 HydrophobicContact CE2-CE2 3.95Å; F279-F283 HydrophobicContact CE2-CZ 4.49Å; F279-F283 AromaticContact CZ-CE2 3.68Å; F279-F283 HydrophobicContact CZ-CE2 3.68Å; F279-F283 HydrophobicContact CZ-CZ 4.29Å; F279-F283 WeakPolarHBondContact O-CD2 3.43Å; F279-E302 HydrophobicContact CD2-CB 4.37Å; F279-V303 HydrophobicContact CE2-CG2 4.27Å; F279-F309 HydrophobicContact CE2-CD2 4.28Å; F279-F309 HydrophobicContact CE2-CG 4.45Å; F279-F309 HydrophobicContact CZ-CB 4.4Å; F279-F309 HydrophobicContact CZ-CD1 4.13Å; F279-F309 AromaticContact CZ-CD2 3.67Å; F279-F309 HydrophobicContact CZ-CD2 3.67Å; F279-F309 HydrophobicContact CZ-CE1 4.28Å; F279-F309 AromaticContact CZ-CE2 3.84Å; F279-F309 HydrophobicContact CZ-CE2 3.84Å; F279-F309 AromaticContact CZ-CG 3.8Å; F279-F309 HydrophobicContact CZ-CG 3.8Å; F279-F309 HydrophobicContact CZ-CZ 4.14Å; F279-Y310 HydrophobicContact CB-CD2 3.67Å; F279-Y310 HydrophobicContact CB-CE2 4.13Å; F279-Y310 AromaticContact CD1-CD2 3.9Å; F279-Y310 HydrophobicContact CD1-CD2 3.9Å; F279-Y310 HydrophobicContact CD1-CG 4.41Å; F279-Y310 HydrophobicContact CD2-CD2 4.14Å; F279-Y310 AromaticContact CG-CD2 3.64Å; F279-Y310 HydrophobicContact CG-CD2 3.64Å; F279-Y310 HydrophobicContact CG-CE2 4.45Å
280	Y	95	Very high	88.9	Confident	3 Å²	3	69 Å²	69	1%	0.012	34%	0.335	C	S	.	.	H	α-helix	trans	-68.7	-21.8	179.9	-70.8	-53.2	0	0	0	114.2	F133 P134 P143 W145 I276 R277 Q278 T282 F283 Y310 Y317	F133-Y280 HydrophobicContact CD1-CD1 4.1Å; F133-Y280 HydrophobicContact CD1-CE1 4.27Å; P134-Y280 HydrophobicContact CG-CD1 3.85Å; P134-Y280 HydrophobicContact CG-CD2 3.65Å; P134-Y280 HydrophobicContact CG-CE1 4.3Å; P134-Y280 HydrophobicContact CG-CE2 4.1Å; P134-Y280 HydrophobicContact CG-CG 3.51Å; P143-Y280 HydrophobicContact CB-CD2 4.46Å; P143-Y280 HydrophobicContact CG-CD2 4.12Å; W145-Y280 HydrophobicContact CH2-CE1 4.27Å; W145-Y280 HydrophobicContact CZ2-CE1 4.27Å; W145-Y280 HydrophobicContact CZ2-CE2 4.3Å; W145-Y280 AromaticContact CZ2-CZ 3.9Å; I276-Y280 HydrophobicContact CG2-CD2 3.72Å; I276-Y280 HydrophobicContact CG2-CE2 3.54Å; I276-Y280 VanDerWaalsContact O-CD2 3.27Å; I276-Y280 WeakPolarHBondContact O-CD2 3.46Å; I276-Y280 PolarHBondContact O-N 2.04Å; I276-Y280 VanDerWaalsContact O-N 3.09Å; R277-Y280 PolarHBondContact O-N 2.9Å; Q278-Y280 PolarHBondContact O-N 3.2Å; Y280-T282 PolarHBondContact O-N 3.1Å; Y280-F283 PolarHBondContact O-N 3.17Å; Y280-Y310 PolarHBondContact OH-O 3.19Å; Y280-Y317 HydrophobicContact CE2-CD1 4.33Å; Y280-Y317 AromaticContact CE2-CE1 3.96Å; Y280-Y317 HydrophobicContact CE2-CE1 3.96Å
281	H	91.8	Very high	88.5	Confident	66 Å²	66	66.6 Å²	66.6	31%	0.306	33%	0.328	S	S	.	.	H	α-helix	trans	-59.9	-32.6	177.7	-171.3	63.8	0	0	0	111.9	L136 R277 Q278 F279 F283 R284	L136-H281 HydrophobicContact CD1-CB 3.68Å; R277-H281 WeakPolarHBondContact O-CB 3.2Å; R277-H281 PolarHBondContact O-N 3.12Å; Q278-H281 VanDerWaalsContact O-CB 3.32Å; Q278-H281 WeakPolarHBondContact O-CB 3.26Å; Q278-H281 PolarHBondContact O-N 2.96Å; F279-H281 VanDerWaalsContact C-N 3.26Å; F279-H281 PolarHBondContact O-N 3.33Å; H281-F283 VanDerWaalsContact C-N 3.26Å; H281-F283 PolarHBondContact O-N 3.14Å; H281-R284 PolarHBondContact CD2-NH1 3.25Å; H281-R284 PolarHBondContact CE1-NH1 2.94Å; H281-R284 VanDerWaalsContact NE2-CZ 3.27Å; H281-R284 PolarHBondContact NE2-NH1 2.87Å; H281-R284 WeakPolarHBondContact O-CD 3.05Å; H281-R284 VanDerWaalsContact O-CG 3.28Å; H281-R284 WeakPolarHBondContact O-CG 3.04Å; H281-R284 PolarHBondContact O-N 3.44Å; H281-R284 PolarHBondContact O-NH1 3.44Å
282	T	89.1	Confident	87.9	Confident	8 Å²	8	65 Å²	65	5%	0.049	32%	0.32	C	S	.	.	T	Hydrogen-bonded Turn	trans	-64.3	-30.5	177.7	66.1	0	0	0	0	112.2	F279 Y280 Q287 S295 E298	F279-T282 PolarHBondContact O-N 2.78Å; F279-T282 PolarHBondContact O-OG1 3.06Å; Y280-T282 PolarHBondContact O-N 3.1Å; T282-Q287 PolarHBondContact O-NE2 3.47Å; T282-S295 WeakPolarHBondContact O-CB 3.48Å; T282-E298 HydrophobicContact CG2-CB 3.72Å; T282-E298 WeakPolarHBondContact CG2-OE2 3.27Å
283	F	87	Confident	87.3	Confident	54 Å²	54	67 Å²	67	24%	0.237	33%	0.333	C	S	.	.	T	Hydrogen-bonded Turn	trans	-95.6	9.1	-175.7	-57.3	-78.7	0	0	0	114.4	F133 F279 Y280 H281 A299	F133-F283 HydrophobicContact CB-CB 3.89Å; F133-F283 HydrophobicContact CD1-CB 3.58Å; F133-F283 HydrophobicContact CD1-CD1 4.24Å; F133-F283 AromaticContact CD1-CD2 3.83Å; F133-F283 HydrophobicContact CD1-CD2 3.83Å; F133-F283 AromaticContact CD1-CG 3.62Å; F133-F283 HydrophobicContact CD1-CG 3.62Å; F133-F283 HydrophobicContact CD2-CB 3.59Å; F133-F283 HydrophobicContact CD2-CD1 4.22Å; F133-F283 HydrophobicContact CD2-CG 4.07Å; F133-F283 HydrophobicContact CE1-CB 3.92Å; F133-F283 AromaticContact CE1-CD1 3.66Å; F133-F283 HydrophobicContact CE1-CD1 3.66Å; F133-F283 AromaticContact CE1-CD2 3.63Å; F133-F283 HydrophobicContact CE1-CD2 3.63Å; F133-F283 HydrophobicContact CE1-CE1 4.04Å; F133-F283 HydrophobicContact CE1-CE2 4.02Å; F133-F283 AromaticContact CE1-CG 3.44Å; F133-F283 HydrophobicContact CE1-CG 3.44Å; F133-F283 VanDerWaalsContact CE1-CG 3.44Å; F133-F283 HydrophobicContact CE1-CZ 4.2Å; F133-F283 HydrophobicContact CE2-CB 3.93Å; F133-F283 AromaticContact CE2-CD1 3.63Å; F133-F283 HydrophobicContact CE2-CD1 3.63Å; F133-F283 HydrophobicContact CE2-CE1 4.38Å; F133-F283 AromaticContact CE2-CG 3.91Å; F133-F283 HydrophobicContact CE2-CG 3.91Å; F133-F283 HydrophobicContact CG-CB 3.39Å; F133-F283 HydrophobicContact CG-CD1 4.48Å; F133-F283 AromaticContact CG-CG 3.92Å; F133-F283 HydrophobicContact CG-CG 3.92Å; F133-F283 HydrophobicContact CZ-CB 4.08Å; F133-F283 AromaticContact CZ-CD1 3.31Å; F133-F283 HydrophobicContact CZ-CD1 3.31Å; F133-F283 HydrophobicContact CZ-CD2 4.19Å; F133-F283 AromaticContact CZ-CE1 3.7Å; F133-F283 HydrophobicContact CZ-CE1 3.7Å; F133-F283 AromaticContact CZ-CG 3.59Å; F133-F283 HydrophobicContact CZ-CG 3.59Å; F133-F283 HydrophobicContact CZ-CZ 4.28Å; F279-F283 HydrophobicContact CD1-CE2 4.37Å; F279-F283 HydrophobicContact CD2-CE2 4.4Å; F279-F283 HydrophobicContact CE1-CD2 4.45Å; F279-F283 AromaticContact CE1-CE2 3.92Å; F279-F283 HydrophobicContact CE1-CE2 3.92Å; F279-F283 AromaticContact CE2-CE2 3.95Å; F279-F283 HydrophobicContact CE2-CE2 3.95Å; F279-F283 HydrophobicContact CE2-CZ 4.49Å; F279-F283 AromaticContact CZ-CE2 3.68Å; F279-F283 HydrophobicContact CZ-CE2 3.68Å; F279-F283 HydrophobicContact CZ-CZ 4.29Å; F279-F283 WeakPolarHBondContact O-CD2 3.43Å; Y280-F283 PolarHBondContact O-N 3.17Å; H281-F283 VanDerWaalsContact C-N 3.26Å; H281-F283 PolarHBondContact O-N 3.14Å; F283-A299 HydrophobicContact CE1-CB 3.8Å; F283-A299 HydrophobicContact CZ-CB 3.66Å
284	R	83.4	Confident	87	Confident	75 Å²	75	73.1 Å²	73.1	28%	0.283	36%	0.36	S	S	.	.			trans	-63.7	143.3	-176.1	70.8	-173.2	-179.2	-89.4	10	112.2	H281 Q287	H281-R284 PolarHBondContact CD2-NH1 3.25Å; H281-R284 PolarHBondContact CE1-NH1 2.94Å; H281-R284 VanDerWaalsContact NE2-CZ 3.27Å; H281-R284 PolarHBondContact NE2-NH1 2.87Å; H281-R284 WeakPolarHBondContact O-CD 3.05Å; H281-R284 VanDerWaalsContact O-CG 3.28Å; H281-R284 WeakPolarHBondContact O-CG 3.04Å; H281-R284 PolarHBondContact O-N 3.44Å; H281-R284 PolarHBondContact O-NH1 3.44Å; R284-Q287 HydrophobicContact CG-CG 3.92Å; R284-Q287 WeakPolarHBondContact O-CG 3.15Å; R284-Q287 PolarHBondContact O-NE2 2.9Å
285	P	73.7	Confident	86.7	Confident	63 Å²	63	69.6 Å²	69.6	41%	0.409	34%	0.343	S	S	.	.	S	Bend	trans	-69.6	165.8	175.5	29.8	-35.1	0	0	0	112.2	Q287	P285-Q287 PolarHBondContact O-N 3.28Å
286	H	71.2	Confident	86.2	Confident	193 Å²	193	70.7 Å²	70.7	89%	0.894	35%	0.348	S	S	*	.	S	Bend	trans	59.7	43.2	172.9	-52.9	-66.8	0	0	0	116
287	Q	76.4	Confident	85.9	Confident	39 Å²	39	75.9 Å²	75.9	18%	0.182	38%	0.376	C	S	.	.			trans	-79	150.4	173.2	-68.8	174.9	-16.8	0	0	112	T282 R284 P285 D291 L292 S295	T282-Q287 PolarHBondContact O-NE2 3.47Å; R284-Q287 HydrophobicContact CG-CG 3.92Å; R284-Q287 WeakPolarHBondContact O-CG 3.15Å; R284-Q287 PolarHBondContact O-NE2 2.9Å; P285-Q287 PolarHBondContact O-N 3.28Å; Q287-D291 HydrophobicContact CB-CB 4.01Å; Q287-D291 HydrophobicContact CG-CB 4.39Å; Q287-L292 HydrophobicContact CB-CB 4.29Å; Q287-L292 VanDerWaalsContact OE1-CA 3.27Å; Q287-S295 PolarHBondContact NE2-OG 3.48Å; Q287-S295 PolarHBondContact OE1-OG 2.93Å
288	S	83.1	Confident	85.7	Confident	56 Å²	56	77.5 Å²	77.5	39%	0.392	39%	0.385	S	S	.	.			trans	-64.7	160.6	162.8	78.3	0	0	0	0	109.9	F290 D291 L292	S288-F290 PolarHBondContact O-N 3.09Å; S288-D291 WeakPolarHBondContact CB-OD2 3.43Å; S288-D291 PolarHBondContact O-N 3.42Å; S288-D291 PolarHBondContact OG-N 3.31Å; S288-D291 PolarHBondContact OG-OD2 3.42Å; S288-L292 WeakPolarHBondContact O-CB 3.11Å; S288-L292 PolarHBondContact O-N 3.5Å
289	I	79	Confident	85.6	Confident	141 Å²	141	73.3 Å²	73.3	72%	0.723	37%	0.367	S	S	*	.	H	α-helix	trans	-58.9	-38.2	179.6	-64.4	173.1	0	0	0	111.3	L292 V293	I289-L292 PolarHBondContact O-N 3Å; I289-V293 WeakPolarHBondContact O-CG2 3.44Å; I289-V293 PolarHBondContact O-N 3.48Å; I289-V293 VanDerWaalsContact O-N 3.14Å
290	F	83.8	Confident	85.4	Confident	161 Å²	161	79.6 Å²	79.6	71%	0.706	39%	0.392	S	S	*	.	H	α-helix	trans	-66.2	-47.2	176.9	-68.8	-73.2	0	0	0	111.3	S288 L292 V293 F294	S288-F290 PolarHBondContact O-N 3.09Å; F290-L292 PolarHBondContact O-N 3Å; F290-V293 PolarHBondContact O-N 3.49Å; F290-F294 WeakPolarHBondContact O-CD2 3.2Å; F290-F294 PolarHBondContact O-N 2.9Å
291	D	84.5	Confident	85.3	Confident	69 Å²	69	84.3 Å²	84.3	37%	0.369	41%	0.413	S	S	.	.	H	α-helix	trans	-61.6	-35.5	177.7	-63.3	-42.3	0	0	0	112	Q287 S288 F294 S295	Q287-D291 HydrophobicContact CB-CB 4.01Å; Q287-D291 HydrophobicContact CG-CB 4.39Å; S288-D291 WeakPolarHBondContact CB-OD2 3.43Å; S288-D291 PolarHBondContact O-N 3.42Å; S288-D291 PolarHBondContact OG-N 3.31Å; S288-D291 PolarHBondContact OG-OD2 3.42Å; D291-F294 PolarHBondContact O-N 3.11Å; D291-S295 VanDerWaalsContact O-CB 3.22Å; D291-S295 WeakPolarHBondContact O-CB 3.47Å; D291-S295 PolarHBondContact O-N 2.91Å; D291-S295 PolarHBondContact O-OG 2.74Å
292	L	82.7	Confident	85.4	Confident	82 Å²	82	83.9 Å²	83.9	43%	0.429	41%	0.411	S	S	.	.	H	α-helix	trans	-64	-44.8	176	-178.8	65	0	0	0	111.6	Q287 S288 I289 F290 S295 L296	Q287-L292 HydrophobicContact CB-CB 4.29Å; Q287-L292 VanDerWaalsContact OE1-CA 3.27Å; S288-L292 WeakPolarHBondContact O-CB 3.11Å; S288-L292 PolarHBondContact O-N 3.5Å; I289-L292 PolarHBondContact O-N 3Å; F290-L292 PolarHBondContact O-N 3Å; L292-S295 PolarHBondContact O-N 2.89Å; L292-L296 HydrophobicContact CD1-CD1 4.46Å; L292-L296 HydrophobicContact CD1-CG 4.39Å; L292-L296 HydrophobicContact CG-CD1 4.2Å; L292-L296 WeakPolarHBondContact O-CB 3.43Å; L292-L296 VanDerWaalsContact O-CG 3.26Å; L292-L296 WeakPolarHBondContact O-CG 3.35Å; L292-L296 PolarHBondContact O-N 2.7Å
293	V	84.9	Confident	85.7	Confident	79 Å²	79	84 Å²	84	48%	0.479	41%	0.411	S	S	.	.	H	α-helix	trans	-62.2	-45.9	176.6	172.5	0	0	0	0	110.9	I289 F290 S295 L296 L297	I289-V293 WeakPolarHBondContact O-CG2 3.44Å; I289-V293 PolarHBondContact O-N 3.48Å; I289-V293 VanDerWaalsContact O-N 3.14Å; F290-V293 PolarHBondContact O-N 3.49Å; V293-S295 VanDerWaalsContact C-N 3.34Å; V293-S295 PolarHBondContact O-N 3.44Å; V293-L296 PolarHBondContact O-N 2.88Å; V293-L297 HydrophobicContact CG1-CD1 4.32Å; V293-L297 WeakPolarHBondContact O-CG 3.27Å; V293-L297 PolarHBondContact O-N 3.39Å; V293-L297 VanDerWaalsContact O-N 3.08Å
294	F	89	Confident	86	Confident	128 Å²	128	82.7 Å²	82.7	56%	0.561	41%	0.408	S	S	*	.	H	α-helix	trans	-61.3	-43.6	175.9	-78.6	-69.7	0	0	0	111.9	F290 D291 L296 L297 E298	F290-F294 WeakPolarHBondContact O-CD2 3.2Å; F290-F294 PolarHBondContact O-N 2.9Å; D291-F294 PolarHBondContact O-N 3.11Å; F294-L296 VanDerWaalsContact C-N 3.35Å; F294-L296 PolarHBondContact O-N 3.4Å; F294-L297 WeakPolarHBondContact O-CB 3.44Å; F294-L297 PolarHBondContact O-N 2.86Å; F294-E298 WeakPolarHBondContact O-CG 3.27Å; F294-E298 PolarHBondContact O-N 3.48Å
295	S	88.6	Confident	86.6	Confident	7 Å²	7	84.2 Å²	84.2	5%	0.049	42%	0.421	C	S	.	.	H	α-helix	trans	-65.2	-37.3	179.6	-61.5	0	0	0	0	112.8	T282 Q287 D291 L292 V293 E298 A299	T282-S295 WeakPolarHBondContact O-CB 3.48Å; Q287-S295 PolarHBondContact NE2-OG 3.48Å; Q287-S295 PolarHBondContact OE1-OG 2.93Å; D291-S295 VanDerWaalsContact O-CB 3.22Å; D291-S295 WeakPolarHBondContact O-CB 3.47Å; D291-S295 PolarHBondContact O-N 2.91Å; D291-S295 PolarHBondContact O-OG 2.74Å; L292-S295 PolarHBondContact O-N 2.89Å; V293-S295 VanDerWaalsContact C-N 3.34Å; V293-S295 PolarHBondContact O-N 3.44Å; S295-E298 PolarHBondContact O-N 2.72Å; S295-A299 VanDerWaalsContact O-CB 3.27Å; S295-A299 WeakPolarHBondContact O-CB 3.31Å; S295-A299 PolarHBondContact O-N 3.13Å
296	L	86.5	Confident	87.7	Confident	109 Å²	109	85.3 Å²	85.3	57%	0.571	42%	0.423	S	S	*	.	H	α-helix	trans	-66	-38.8	173.8	-72.8	171.2	0	0	0	112	L292 V293 F294 Y300	L292-L296 HydrophobicContact CD1-CD1 4.46Å; L292-L296 HydrophobicContact CD1-CG 4.39Å; L292-L296 HydrophobicContact CG-CD1 4.2Å; L292-L296 WeakPolarHBondContact O-CB 3.43Å; L292-L296 VanDerWaalsContact O-CG 3.26Å; L292-L296 WeakPolarHBondContact O-CG 3.35Å; L292-L296 PolarHBondContact O-N 2.7Å; V293-L296 PolarHBondContact O-N 2.88Å; F294-L296 VanDerWaalsContact C-N 3.35Å; F294-L296 PolarHBondContact O-N 3.4Å; L296-Y300 WeakPolarHBondContact O-CB 3.27Å; L296-Y300 PolarHBondContact O-N 2.88Å
297	L	89.3	Confident	88.9	Confident	109 Å²	109	81.3 Å²	81.3	57%	0.571	40%	0.404	S	S	*	.	H	α-helix	trans	-65.9	-42.1	174.8	-71.1	170.8	0	0	0	111.7	V293 F294 Y300 K301	V293-L297 HydrophobicContact CG1-CD1 4.32Å; V293-L297 WeakPolarHBondContact O-CG 3.27Å; V293-L297 PolarHBondContact O-N 3.39Å; V293-L297 VanDerWaalsContact O-N 3.08Å; F294-L297 WeakPolarHBondContact O-CB 3.44Å; F294-L297 PolarHBondContact O-N 2.86Å; L297-Y300 PolarHBondContact O-N 2.83Å; L297-K301 WeakPolarHBondContact O-CB 3.26Å; L297-K301 PolarHBondContact O-N 2.94Å
298	E	91.8	Very high	89.9	Confident	80 Å²	80	80.1 Å²	80.1	37%	0.374	40%	0.4	S	S	.	.	H	α-helix	trans	-65.1	-46.4	175.5	-73	-178.5	177.4	0	0	111.4	T282 F294 S295 Y300 K301 E302	T282-E298 HydrophobicContact CG2-CB 3.72Å; T282-E298 WeakPolarHBondContact CG2-OE2 3.27Å; F294-E298 WeakPolarHBondContact O-CG 3.27Å; F294-E298 PolarHBondContact O-N 3.48Å; S295-E298 PolarHBondContact O-N 2.72Å; E298-Y300 VanDerWaalsContact C-N 3.31Å; E298-Y300 PolarHBondContact O-N 3.09Å; E298-K301 WeakPolarHBondContact O-CB 3.46Å; E298-K301 PolarHBondContact O-N 2.97Å; E298-K301 VanDerWaalsContact O-N 3.13Å; E298-E302 WeakPolarHBondContact O-CG 3.35Å; E298-E302 PolarHBondContact O-N 3.29Å
299	A	90.8	Very high	90.6	Very high	12 Å²	12	77.8 Å²	77.8	10%	0.099	38%	0.382	C	S	.	.	H	α-helix	trans	-59	-42.5	175.2	0	0	0	0	0	111.7	F283 S295 V303	F283-A299 HydrophobicContact CE1-CB 3.8Å; F283-A299 HydrophobicContact CZ-CB 3.66Å; S295-A299 VanDerWaalsContact O-CB 3.27Å; S295-A299 WeakPolarHBondContact O-CB 3.31Å; S295-A299 PolarHBondContact O-N 3.13Å; A299-V303 VanDerWaalsContact O-CB 3.31Å; A299-V303 WeakPolarHBondContact O-CB 3.18Å; A299-V303 VanDerWaalsContact O-CG2 3.27Å; A299-V303 WeakPolarHBondContact O-CG2 3.47Å; A299-V303 PolarHBondContact O-N 3.2Å
300	Y	91.3	Very high	91.6	Very high	137 Å²	137	72.2 Å²	72.2	54%	0.537	35%	0.352	S	S	.	.	H	α-helix	trans	-61.9	-45.5	174.4	-179.5	-90.4	0	0	0	111.6	L296 L297 E298 V304 L305	L296-Y300 WeakPolarHBondContact O-CB 3.27Å; L296-Y300 PolarHBondContact O-N 2.88Å; L297-Y300 PolarHBondContact O-N 2.83Å; E298-Y300 VanDerWaalsContact C-N 3.31Å; E298-Y300 PolarHBondContact O-N 3.09Å; Y300-V304 HydrophobicContact CD1-CB 4.48Å; Y300-V304 HydrophobicContact CD2-CB 4.26Å; Y300-V304 HydrophobicContact CD2-CG2 3.76Å; Y300-V304 HydrophobicContact CE1-CB 4.25Å; Y300-V304 HydrophobicContact CE1-CG1 4.3Å; Y300-V304 HydrophobicContact CE2-CB 4.03Å; Y300-V304 HydrophobicContact CE2-CG1 4.05Å; Y300-V304 HydrophobicContact CE2-CG2 3.73Å; Y300-V304 HydrophobicContact CG-CB 4.49Å; Y300-V304 HydrophobicContact CG-CG2 4.32Å; Y300-V304 WeakPolarHBondContact O-CA 3.42Å; Y300-V304 WeakPolarHBondContact O-CB 3.31Å; Y300-V304 PolarHBondContact O-N 3.23Å; Y300-L305 HydrophobicContact CD1-CG 4.49Å; Y300-L305 HydrophobicContact CE1-CD2 4.24Å; Y300-L305 HydrophobicContact CE1-CG 4.21Å
301	K	94	Very high	92.3	Very high	103 Å²	103	64.6 Å²	64.6	45%	0.448	32%	0.319	S	S	.	.	I	π-helix	trans	-58.3	-54.3	177.8	178	-170.4	168.1	-159.1	0	110.8	L297 E298 V303 L305 D306	L297-K301 WeakPolarHBondContact O-CB 3.26Å; L297-K301 PolarHBondContact O-N 2.94Å; E298-K301 WeakPolarHBondContact O-CB 3.46Å; E298-K301 PolarHBondContact O-N 2.97Å; E298-K301 VanDerWaalsContact O-N 3.13Å; K301-V303 PolarHBondContact O-N 3.07Å; K301-L305 HydrophobicContact CB-CD1 4.34Å; K301-L305 HydrophobicContact CG-CB 4.4Å; K301-L305 HydrophobicContact CG-CD1 4.17Å; K301-L305 CarbonylContact O-C 3.58Å; K301-L305 WeakPolarHBondContact O-CA 3.3Å; K301-L305 VanDerWaalsContact O-CB 3.26Å; K301-L305 WeakPolarHBondContact O-CB 3.49Å; K301-L305 PolarHBondContact O-N 3.5Å; K301-D306 VanDerWaalsContact CE-OD2 3.28Å; K301-D306 WeakPolarHBondContact CE-OD2 3.29Å; K301-D306 PolarHBondContact O-N 3.39Å
302	E	93.8	Very high	92.9	Very high	56 Å²	56	61.8 Å²	61.8	26%	0.262	30%	0.303	S	S	.	.	I	π-helix	trans	-60.6	-49	-177.2	-68.1	-66.9	155.4	0	0	111.5	F279 E298 D306 K307 S308	F279-E302 HydrophobicContact CD2-CB 4.37Å; E298-E302 WeakPolarHBondContact O-CG 3.35Å; E298-E302 PolarHBondContact O-N 3.29Å; E302-D306 CarbonylContact O-C 3.46Å; E302-K307 PolarHBondContact O-N 2.71Å; E302-S308 CarbonylContact C-O 3.58Å; E302-S308 PolarHBondContact O-N 3.01Å
303	V	94.3	Very high	93.7	Very high	11 Å²	11	58 Å²	58	7%	0.067	28%	0.283	C	S	.	.	I	π-helix	trans	-77.3	-36.9	-172.8	178.5	0	0	0	0	112.9	F279 A299 K301 K307 S308 F309 M322 V327	F279-V303 HydrophobicContact CE2-CG2 4.27Å; A299-V303 VanDerWaalsContact O-CB 3.31Å; A299-V303 WeakPolarHBondContact O-CB 3.18Å; A299-V303 VanDerWaalsContact O-CG2 3.27Å; A299-V303 WeakPolarHBondContact O-CG2 3.47Å; A299-V303 PolarHBondContact O-N 3.2Å; K301-V303 PolarHBondContact O-N 3.07Å; V303-K307 WeakPolarHBondContact O-CA 3.32Å; V303-S308 WeakPolarHBondContact CA-O 3.37Å; V303-F309 HydrophobicContact CG2-CD2 3.82Å; V303-F309 HydrophobicContact CG2-CE2 4.5Å; V303-M322 HydrophobicContact CG1-CE 4.07Å; V303-M322 HydrophobicContact CG1-CG 4.34Å; V303-V327 HydrophobicContact CG1-CG2 4.35Å
304	V	94.5	Very high	94.3	Very high	26 Å²	26	54.6 Å²	54.6	16%	0.158	26%	0.262	C	S	.	.	I	π-helix	trans	-102.7	-44.7	-171.9	-177.2	0	0	0	0	112.6	Y300 Y326	Y300-V304 HydrophobicContact CD1-CB 4.48Å; Y300-V304 HydrophobicContact CD2-CB 4.26Å; Y300-V304 HydrophobicContact CD2-CG2 3.76Å; Y300-V304 HydrophobicContact CE1-CB 4.25Å; Y300-V304 HydrophobicContact CE1-CG1 4.3Å; Y300-V304 HydrophobicContact CE2-CB 4.03Å; Y300-V304 HydrophobicContact CE2-CG1 4.05Å; Y300-V304 HydrophobicContact CE2-CG2 3.73Å; Y300-V304 HydrophobicContact CG-CB 4.49Å; Y300-V304 HydrophobicContact CG-CG2 4.32Å; Y300-V304 WeakPolarHBondContact O-CA 3.42Å; Y300-V304 WeakPolarHBondContact O-CB 3.31Å; Y300-V304 PolarHBondContact O-N 3.23Å; V304-Y326 HydrophobicContact CB-CE2 4.49Å; V304-Y326 HydrophobicContact CG1-CD2 4.1Å; V304-Y326 HydrophobicContact CG1-CE2 3.67Å; V304-Y326 HydrophobicContact CG2-CD2 4.16Å; V304-Y326 HydrophobicContact CG2-CG 4.29Å
305	L	95.1	Very high	94.7	Very high	108 Å²	108	51.5 Å²	51.5	57%	0.565	25%	0.249	S	C	*	.	I	π-helix	trans	-84.9	-51.2	-176.2	-55.8	-178.5	0	0	0	110.9	Y300 K301 K307	Y300-L305 HydrophobicContact CD1-CG 4.49Å; Y300-L305 HydrophobicContact CE1-CD2 4.24Å; Y300-L305 HydrophobicContact CE1-CG 4.21Å; K301-L305 HydrophobicContact CB-CD1 4.34Å; K301-L305 HydrophobicContact CG-CB 4.4Å; K301-L305 HydrophobicContact CG-CD1 4.17Å; K301-L305 CarbonylContact O-C 3.58Å; K301-L305 WeakPolarHBondContact O-CA 3.3Å; K301-L305 VanDerWaalsContact O-CB 3.26Å; K301-L305 WeakPolarHBondContact O-CB 3.49Å; K301-L305 PolarHBondContact O-N 3.5Å; L305-K307 VanDerWaalsContact C-N 3.3Å
306	D	96.4	Very high	95.1	Very high	85 Å²	85	52.4 Å²	52.4	46%	0.455	25%	0.252	S	S	.	.	S	Bend	trans	-83.6	-12.9	-179.5	-58.9	-28.2	0	0	0	111.9	K301 E302 S308	K301-D306 VanDerWaalsContact CE-OD2 3.28Å; K301-D306 WeakPolarHBondContact CE-OD2 3.29Å; K301-D306 PolarHBondContact O-N 3.39Å; E302-D306 CarbonylContact O-C 3.46Å; D306-S308 VanDerWaalsContact C-N 3.31Å; D306-S308 PolarHBondContact O-N 3.33Å
307	K	97.6	Very high	95.7	Very high	110 Å²	110	47.2 Å²	47.2	48%	0.478	23%	0.225	S	C	.	.			trans	57.8	41.8	174.6	-58.3	179.1	-174.9	173.5	0	112.7	E302 V303 L305 P321 M322 Y326	E302-K307 PolarHBondContact O-N 2.71Å; V303-K307 WeakPolarHBondContact O-CA 3.32Å; L305-K307 VanDerWaalsContact C-N 3.3Å; K307-P321 CarbonylContact O-C 3.45Å; K307-M322 HydrophobicContact CB-CB 4.35Å; K307-M322 PolarHBondContact O-N 3.47Å; K307-Y326 HydrophobicContact CG-CE1 4.32Å
308	S	97.4	Very high	96.2	Very high	14 Å²	14	42.3 Å²	42.3	10%	0.098	20%	0.199	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-124.2	138.2	-175.8	-175.2	0	0	0	0	110.7	E302 V303 D306 H319	E302-S308 CarbonylContact C-O 3.58Å; E302-S308 PolarHBondContact O-N 3.01Å; V303-S308 WeakPolarHBondContact CA-O 3.37Å; D306-S308 VanDerWaalsContact C-N 3.31Å; D306-S308 PolarHBondContact O-N 3.33Å; S308-H319 PolarHBondContact OG-CD2 3.05Å; S308-H319 PolarHBondContact OG-NE2 2.93Å
309	F	98.3	Very high	96.5	Very high	7 Å²	7	40.9 Å²	40.9	3%	0.031	19%	0.192	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-146.2	137.1	170	-168.6	-74.9	0	0	0	109.2	F133 W199 L249 F279 V303 L320 M322	F133-F309 HydrophobicContact CE1-CZ 4.49Å; W199-F309 AromaticContact CE2-CZ 3.99Å; W199-F309 HydrophobicContact CZ2-CZ 4.12Å; W199-F309 AromaticContact NE1-CZ 3.99Å; L249-F309 HydrophobicContact CD1-CD1 3.89Å; L249-F309 HydrophobicContact CD1-CD2 4.32Å; L249-F309 HydrophobicContact CD1-CE1 3.66Å; L249-F309 HydrophobicContact CD1-CE2 4.12Å; L249-F309 HydrophobicContact CD1-CG 4.24Å; L249-F309 HydrophobicContact CD1-CZ 3.79Å; L249-F309 HydrophobicContact CD2-CD2 4.49Å; L249-F309 HydrophobicContact CD2-CE2 4.27Å; F279-F309 HydrophobicContact CE2-CD2 4.28Å; F279-F309 HydrophobicContact CE2-CG 4.45Å; F279-F309 HydrophobicContact CZ-CB 4.4Å; F279-F309 HydrophobicContact CZ-CD1 4.13Å; F279-F309 AromaticContact CZ-CD2 3.67Å; F279-F309 HydrophobicContact CZ-CD2 3.67Å; F279-F309 HydrophobicContact CZ-CE1 4.28Å; F279-F309 AromaticContact CZ-CE2 3.84Å; F279-F309 HydrophobicContact CZ-CE2 3.84Å; F279-F309 AromaticContact CZ-CG 3.8Å; F279-F309 HydrophobicContact CZ-CG 3.8Å; F279-F309 HydrophobicContact CZ-CZ 4.14Å; V303-F309 HydrophobicContact CG2-CD2 3.82Å; V303-F309 HydrophobicContact CG2-CE2 4.5Å; F309-L320 HydrophobicContact CB-CB 4.15Å; F309-L320 HydrophobicContact CB-CD1 4.37Å; F309-L320 HydrophobicContact CD1-CD1 3.88Å; F309-L320 HydrophobicContact CD1-CG 4.44Å; F309-L320 HydrophobicContact CG-CD1 4.41Å; F309-L320 PolarHBondContact N-O 2.78Å; F309-L320 PolarHBondContact O-N 2.71Å; F309-M322 HydrophobicContact CB-CG 3.67Å; F309-M322 HydrophobicContact CB-SD 3.49Å; F309-M322 WeakPolarHBondContact CB-SD 3.44Å; F309-M322 HydrophobicContact CG-SD 4.26Å
310	Y	98.3	Very high	96.9	Very high	23 Å²	23	40.3 Å²	40.3	9%	0.09	19%	0.187	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-100.7	114.5	173.1	-65.9	-74.3	0	0	0	110.1	L257 L272 I276 F279 Y280 W318 H319	L257-Y310 HydrophobicContact CD1-CD1 3.63Å; L257-Y310 HydrophobicContact CD1-CE1 3.68Å; L272-Y310 HydrophobicContact CD1-CE1 4.09Å; I276-Y310 HydrophobicContact CD1-CD1 4.32Å; I276-Y310 HydrophobicContact CD1-CE1 4.38Å; I276-Y310 HydrophobicContact CG1-CD1 3.65Å; I276-Y310 HydrophobicContact CG1-CD2 4.2Å; I276-Y310 HydrophobicContact CG1-CE1 3.69Å; I276-Y310 HydrophobicContact CG1-CE2 4.24Å; I276-Y310 HydrophobicContact CG1-CG 3.9Å; F279-Y310 HydrophobicContact CB-CD2 3.67Å; F279-Y310 HydrophobicContact CB-CE2 4.13Å; F279-Y310 AromaticContact CD1-CD2 3.9Å; F279-Y310 HydrophobicContact CD1-CD2 3.9Å; F279-Y310 HydrophobicContact CD1-CG 4.41Å; F279-Y310 HydrophobicContact CD2-CD2 4.14Å; F279-Y310 AromaticContact CG-CD2 3.64Å; F279-Y310 HydrophobicContact CG-CD2 3.64Å; F279-Y310 HydrophobicContact CG-CE2 4.45Å; Y280-Y310 PolarHBondContact OH-O 3.19Å; Y310-W318 WeakPolarHBondContact CA-O 3.46Å; Y310-H319 HydrophobicContact CE1-CB 4.44Å
311	L	98.6	Very high	97.2	Very high	2 Å²	2	35.9 Å²	35.9	1%	0.01	18%	0.175	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-97.3	136.8	175.8	179.9	72.3	0	0	0	109.8	W199 V201 F213 Y317 W318 L320	W199-L311 HydrophobicContact CB-CD1 4.16Å; W199-L311 HydrophobicContact CG-CD1 4.3Å; V201-L311 HydrophobicContact CG2-CD2 3.96Å; F213-L311 HydrophobicContact CB-CD2 4.31Å; F213-L311 HydrophobicContact CD1-CD2 4.14Å; F213-L311 HydrophobicContact CD2-CD2 3.39Å; F213-L311 HydrophobicContact CE1-CD2 4.33Å; F213-L311 HydrophobicContact CE2-CD2 3.61Å; F213-L311 HydrophobicContact CG-CD2 3.69Å; F213-L311 HydrophobicContact CZ-CD2 4.1Å; L311-Y317 CarbonylContact O-C 3.58Å; L311-Y317 WeakPolarHBondContact O-CA 3.46Å; L311-W318 HydrophobicContact CB-CB 4.38Å; L311-W318 PolarHBondContact N-O 2.9Å; L311-W318 PolarHBondContact O-N 3.08Å; L311-L320 HydrophobicContact CB-CD1 3.92Å; L311-L320 HydrophobicContact CB-CD2 4.17Å; L311-L320 HydrophobicContact CB-CG 4.02Å; L311-L320 HydrophobicContact CD2-CD1 4.47Å; L311-L320 HydrophobicContact CD2-CD2 4.35Å
312	Y	98.4	Very high	97.4	Very high	10 Å²	10	31.1 Å²	31.1	4%	0.039	16%	0.155	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-107.5	108.2	170.6	-174.3	-106.2	0	0	0	109.3	W145 F315 E316 Y317	W145-Y312 HydrophobicContact CB-CE1 4.43Å; W145-Y312 AromaticContact CD1-CD1 3.88Å; W145-Y312 AromaticContact CD1-CE1 3.5Å; W145-Y312 VanDerWaalsContact CD1-CE1 3.5Å; W145-Y312 AromaticContact CD1-CZ 3.62Å; W145-Y312 AromaticContact CD2-CD1 3.62Å; W145-Y312 HydrophobicContact CD2-CD1 3.62Å; W145-Y312 AromaticContact CD2-CE1 3.9Å; W145-Y312 HydrophobicContact CD2-CE1 3.9Å; W145-Y312 HydrophobicContact CD2-CG 4.24Å; W145-Y312 AromaticContact CE2-CD1 3.34Å; W145-Y312 AromaticContact CE2-CE1 3.84Å; W145-Y312 AromaticContact CE2-CG 3.46Å; W145-Y312 VanDerWaalsContact CE2-CG 3.46Å; W145-Y312 HydrophobicContact CE3-CD1 4.21Å; W145-Y312 AromaticContact CG-CD1 3.97Å; W145-Y312 HydrophobicContact CG-CD1 3.97Å; W145-Y312 AromaticContact CG-CE1 3.71Å; W145-Y312 HydrophobicContact CG-CE1 3.71Å; W145-Y312 HydrophobicContact CH2-CD1 4.27Å; W145-Y312 HydrophobicContact CH2-CG 4.25Å; W145-Y312 AromaticContact CZ2-CD1 3.74Å; W145-Y312 HydrophobicContact CZ2-CD1 3.74Å; W145-Y312 HydrophobicContact CZ2-CD2 4.31Å; W145-Y312 AromaticContact CZ2-CG 3.51Å; W145-Y312 HydrophobicContact CZ2-CG 3.51Å; W145-Y312 HydrophobicContact CZ3-CD1 4.48Å; W145-Y312 AromaticContact NE1-CD1 3.49Å; W145-Y312 AromaticContact NE1-CD2 3.72Å; W145-Y312 AromaticContact NE1-CE1 3.56Å; W145-Y312 AromaticContact NE1-CE2 3.77Å; W145-Y312 AromaticContact NE1-CG 3.54Å; W145-Y312 AromaticContact NE1-CZ 3.66Å; Y312-F315 HydrophobicContact CE1-CD1 4.23Å; Y312-F315 VanDerWaalsContact CZ-CA 3.43Å; Y312-F315 WeakPolarHBondContact OH-CA 3.32Å; Y312-F315 WeakPolarHBondContact OH-CD1 3.28Å; Y312-E316 CarbonylContact C-O 3.54Å; Y312-E316 WeakPolarHBondContact CA-O 3.15Å; Y312-Y317 AromaticContact CD2-CD1 3.84Å; Y312-Y317 HydrophobicContact CD2-CD1 3.84Å; Y312-Y317 HydrophobicContact CD2-CD2 4.05Å; Y312-Y317 AromaticContact CD2-CE1 3.5Å; Y312-Y317 HydrophobicContact CD2-CE1 3.5Å; Y312-Y317 AromaticContact CD2-CE2 3.71Å; Y312-Y317 HydrophobicContact CD2-CE2 3.71Å; Y312-Y317 HydrophobicContact CD2-CG 4.1Å; Y312-Y317 AromaticContact CD2-CZ 3.43Å; Y312-Y317 VanDerWaalsContact CD2-CZ 3.43Å; Y312-Y317 HydrophobicContact CE2-CD2 4.21Å; Y312-Y317 HydrophobicContact CE2-CE1 4.08Å; Y312-Y317 AromaticContact CE2-CE2 3.57Å; Y312-Y317 HydrophobicContact CE2-CE2 3.57Å; Y312-Y317 AromaticContact CE2-CZ 3.5Å; Y312-Y317 VanDerWaalsContact CE2-CZ 3.5Å; Y312-Y317 HydrophobicContact CG-CE1 4.37Å
313	Y	98.4	Very high	97.6	Very high	3 Å²	3	32 Å²	32	1%	0.012	16%	0.158	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-137.2	138.5	-175.3	-164.8	-86.9	0	0	0	109.4	V39 E197 F213 E214 F315 E316	V39-Y313 HydrophobicContact CB-CE1 4.47Å; V39-Y313 HydrophobicContact CG1-CD1 4.42Å; V39-Y313 HydrophobicContact CG1-CE1 4.37Å; E197-Y313 HydrophobicContact CB-CE2 4.39Å; E197-Y313 HydrophobicContact CG-CD2 3.83Å; E197-Y313 HydrophobicContact CG-CE2 3.77Å; F213-Y313 HydrophobicContact CB-CD2 4.21Å; F213-Y313 HydrophobicContact CB-CE2 4.05Å; F213-Y313 AromaticContact CD1-CD1 3.56Å; F213-Y313 HydrophobicContact CD1-CD1 3.56Å; F213-Y313 AromaticContact CD1-CD2 3.84Å; F213-Y313 HydrophobicContact CD1-CD2 3.84Å; F213-Y313 AromaticContact CD1-CE1 3.89Å; F213-Y313 HydrophobicContact CD1-CE1 3.89Å; F213-Y313 HydrophobicContact CD1-CE2 4.11Å; F213-Y313 AromaticContact CD1-CG 3.54Å; F213-Y313 HydrophobicContact CD1-CG 3.54Å; F213-Y313 AromaticContact CE1-CD1 3.88Å; F213-Y313 HydrophobicContact CE1-CD1 3.88Å; F213-Y313 AromaticContact CE1-CG 3.96Å; F213-Y313 HydrophobicContact CE1-CG 3.96Å; F213-Y313 HydrophobicContact CG-CD2 4.31Å; F213-Y313 HydrophobicContact CG-CG 4.39Å; E214-Y313 VanDerWaalsContact O-CE2 3.31Å; E214-Y313 WeakPolarHBondContact O-CE2 3.22Å; E214-Y313 PolarHBondContact O-OH 3.45Å; E214-Y313 VanDerWaalsContact O-OH 3.09Å; Y313-F315 PolarHBondContact O-N 3.38Å; Y313-E316 PolarHBondContact N-O 3.42Å; Y313-E316 WeakPolarHBondContact O-CB 3.4Å; Y313-E316 PolarHBondContact O-N 2.9Å; Y313-E316 VanDerWaalsContact O-O 3.1Å
314	N	97.8	Very high	97.6	Very high	7 Å²	7	38.1 Å²	38.1	4%	0.037	19%	0.185	C	C	.	.	T	Hydrogen-bonded Turn	trans	54.2	31.3	-174.6	-69.3	-22.5	0	0	0	114.3	P40 R42 Y195 E316	P40-N314 PolarHBondContact O-ND2 3.22Å; R42-N314 HydrophobicContact CB-CB 4.03Å; R42-N314 WeakPolarHBondContact CB-OD1 3.41Å; R42-N314 PolarHBondContact N-OD1 3.45Å; R42-N314 PolarHBondContact NH1-O 3.36Å; Y195-N314 PolarHBondContact OH-N 3.5Å; Y195-N314 PolarHBondContact OH-OD1 3.13Å; N314-E316 PolarHBondContact O-N 2.84Å
315	F	97.6	Very high	97.7	Very high	63 Å²	63	38.5 Å²	38.5	28%	0.276	19%	0.189	S	C	.	.	T	Hydrogen-bonded Turn	trans	62.7	28.9	-175.2	-57.5	-101.5	0	0	0	113.8	F44 I194 Y195 Y312 Y313	F44-F315 HydrophobicContact CE1-CD2 4.39Å; F44-F315 HydrophobicContact CE1-CE2 4.2Å; F44-F315 HydrophobicContact CE2-CD2 4.11Å; F44-F315 AromaticContact CE2-CE2 3.54Å; F44-F315 HydrophobicContact CE2-CE2 3.54Å; F44-F315 HydrophobicContact CE2-CZ 4.48Å; F44-F315 AromaticContact CZ-CD2 3.46Å; F44-F315 HydrophobicContact CZ-CD2 3.46Å; F44-F315 VanDerWaalsContact CZ-CD2 3.46Å; F44-F315 AromaticContact CZ-CE2 3.23Å; F44-F315 HydrophobicContact CZ-CE2 3.23Å; F44-F315 HydrophobicContact CZ-CZ 4.18Å; I194-F315 HydrophobicContact CD1-CZ 4.46Å; Y195-F315 AromaticContact CD1-CE2 3.64Å; Y195-F315 HydrophobicContact CD1-CE2 3.64Å; Y195-F315 HydrophobicContact CD1-CZ 4.27Å; Y195-F315 HydrophobicContact CE1-CE2 4.13Å; Y195-F315 HydrophobicContact CG-CE2 4.14Å; Y195-F315 HydrophobicContact CG-CZ 4.41Å; Y312-F315 HydrophobicContact CE1-CD1 4.23Å; Y312-F315 VanDerWaalsContact CZ-CA 3.43Å; Y312-F315 WeakPolarHBondContact OH-CA 3.32Å; Y312-F315 WeakPolarHBondContact OH-CD1 3.28Å; Y313-F315 PolarHBondContact O-N 3.38Å
316	E	98	Very high	97.7	Very high	25 Å²	25	35.3 Å²	35.3	12%	0.117	17%	0.169	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-134.3	152	-178	-66	164.1	174.4	0	0	110	R42 Y256 N259 Y312 Y313 N314	R42-E316 IonicContact CZ-OE1 3.71Å; R42-E316 IonicContact NH1-OE1 2.68Å; R42-E316 PolarHBondContact NH1-OE1 3.44Å; R42-E316 IonicContact NH2-OE1 3.9Å; R42-E316 PolarHBondContact NH2-OE1 3.38Å; R42-E316 IonicContact NH2-OE2 2.7Å; Y256-E316 HydrophobicContact CE2-CB 3.81Å; Y256-E316 HydrophobicContact CE2-CG 3.99Å; Y256-E316 WeakPolarHBondContact CE2-OE2 3.38Å; N259-E316 HydrophobicContact CB-CG 4.18Å; Y312-E316 CarbonylContact C-O 3.54Å; Y312-E316 WeakPolarHBondContact CA-O 3.15Å; Y313-E316 PolarHBondContact N-O 3.42Å; Y313-E316 WeakPolarHBondContact O-CB 3.4Å; Y313-E316 PolarHBondContact O-N 2.9Å; Y313-E316 VanDerWaalsContact O-O 3.1Å; N314-E316 PolarHBondContact O-N 2.84Å
317	Y	98.4	Very high	97.6	Very high	0 Å²	0	34.4 Å²	34.4	0%	0	17%	0.166	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-98.4	139.5	179.7	-59.7	-95.5	0	0	0	111.2	L257 G258 D260 I263 F264 I276 Y280 L311 Y312	L257-Y317 VanDerWaalsContact CB-O 3.3Å; L257-Y317 WeakPolarHBondContact CB-O 3.28Å; L257-Y317 PolarHBondContact N-O 2.92Å; G258-Y317 PolarHBondContact O-N 2.89Å; D260-Y317 WeakPolarHBondContact OD1-CE2 3.35Å; D260-Y317 PolarHBondContact OD1-OH 3.45Å; I263-Y317 HydrophobicContact CD1-CD2 3.69Å; I263-Y317 HydrophobicContact CD1-CG 3.99Å; F264-Y317 HydrophobicContact CD2-CE2 4.47Å; F264-Y317 HydrophobicContact CE2-CD2 4.25Å; F264-Y317 HydrophobicContact CE2-CE1 4.38Å; F264-Y317 AromaticContact CE2-CE2 3.6Å; F264-Y317 HydrophobicContact CE2-CE2 3.6Å; F264-Y317 AromaticContact CE2-CZ 3.67Å; F264-Y317 HydrophobicContact CZ-CE2 4.46Å; I276-Y317 HydrophobicContact CD1-CD1 4.4Å; I276-Y317 HydrophobicContact CD1-CG 4.4Å; I276-Y317 HydrophobicContact CG2-CD1 3.98Å; I276-Y317 HydrophobicContact CG2-CE1 3.96Å; Y280-Y317 HydrophobicContact CE2-CD1 4.33Å; Y280-Y317 AromaticContact CE2-CE1 3.96Å; Y280-Y317 HydrophobicContact CE2-CE1 3.96Å; L311-Y317 CarbonylContact O-C 3.58Å; L311-Y317 WeakPolarHBondContact O-CA 3.46Å; Y312-Y317 AromaticContact CD2-CD1 3.84Å; Y312-Y317 HydrophobicContact CD2-CD1 3.84Å; Y312-Y317 HydrophobicContact CD2-CD2 4.05Å; Y312-Y317 AromaticContact CD2-CE1 3.5Å; Y312-Y317 HydrophobicContact CD2-CE1 3.5Å; Y312-Y317 AromaticContact CD2-CE2 3.71Å; Y312-Y317 HydrophobicContact CD2-CE2 3.71Å; Y312-Y317 HydrophobicContact CD2-CG 4.1Å; Y312-Y317 AromaticContact CD2-CZ 3.43Å; Y312-Y317 VanDerWaalsContact CD2-CZ 3.43Å; Y312-Y317 HydrophobicContact CE2-CD2 4.21Å; Y312-Y317 HydrophobicContact CE2-CE1 4.08Å; Y312-Y317 AromaticContact CE2-CE2 3.57Å; Y312-Y317 HydrophobicContact CE2-CE2 3.57Å; Y312-Y317 AromaticContact CE2-CZ 3.5Å; Y312-Y317 VanDerWaalsContact CE2-CZ 3.5Å; Y312-Y317 HydrophobicContact CG-CE1 4.37Å
318	W	98.6	Very high	97.4	Very high	6 Å²	6	32.6 Å²	32.6	2%	0.023	16%	0.16	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-130.6	137.6	178.6	-61.8	79.7	0	0	0	109.3	W37 V39 F213 P254 S255 Y256 Y310 L311 L320	W37-W318 HydrophobicContact CH2-CZ3 4.11Å; V39-W318 HydrophobicContact CG2-CH2 4.27Å; V39-W318 HydrophobicContact CG2-CZ2 4.39Å; F213-W318 HydrophobicContact CE1-CD2 4.2Å; F213-W318 HydrophobicContact CE1-CG 4.4Å; F213-W318 HydrophobicContact CE1-CZ2 4.42Å; F213-W318 HydrophobicContact CZ-CB 4.28Å; F213-W318 AromaticContact CZ-CD2 3.54Å; F213-W318 HydrophobicContact CZ-CD2 3.54Å; F213-W318 AromaticContact CZ-CE2 3.84Å; F213-W318 AromaticContact CZ-CE3 3.83Å; F213-W318 HydrophobicContact CZ-CE3 3.83Å; F213-W318 AromaticContact CZ-CG 3.73Å; F213-W318 HydrophobicContact CZ-CG 3.73Å; F213-W318 HydrophobicContact CZ-CZ2 4.39Å; F213-W318 HydrophobicContact CZ-CZ3 4.37Å; P254-W318 HydrophobicContact CB-CE3 4.04Å; S255-W318 WeakPolarHBondContact O-CA 3.42Å; Y256-W318 HydrophobicContact CD2-CD2 4.15Å; Y256-W318 AromaticContact CD2-CE2 3.71Å; Y256-W318 HydrophobicContact CD2-CE3 4.41Å; Y256-W318 AromaticContact CD2-CH2 3.87Å; Y256-W318 HydrophobicContact CD2-CH2 3.87Å; Y256-W318 AromaticContact CD2-CZ2 3.56Å; Y256-W318 HydrophobicContact CD2-CZ2 3.56Å; Y256-W318 HydrophobicContact CD2-CZ3 4.3Å; Y256-W318 HydrophobicContact CE2-CZ2 4.27Å; Y256-W318 HydrophobicContact CG-CH2 4.32Å; Y256-W318 HydrophobicContact CG-CZ2 4.44Å; Y256-W318 HydrophobicContact CG-CZ3 4.48Å; Y310-W318 WeakPolarHBondContact CA-O 3.46Å; L311-W318 HydrophobicContact CB-CB 4.38Å; L311-W318 PolarHBondContact N-O 2.9Å; L311-W318 PolarHBondContact O-N 3.08Å; W318-L320 HydrophobicContact CB-CD2 4.48Å
319	H	98.6	Very high	97.2	Very high	50 Å²	50	35.9 Å²	35.9	23%	0.231	18%	0.175	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-90.9	126.2	168.8	173.1	-99.7	0	0	0	109.3	P254 S255 L257 S308 Y310	P254-H319 WeakPolarHBondContact CA-O 3.45Å; S255-H319 PolarHBondContact N-O 3.31Å; S255-H319 PolarHBondContact O-N 3.22Å; L257-H319 HydrophobicContact CD1-CB 4Å; L257-H319 HydrophobicContact CD2-CB 3.99Å; L257-H319 HydrophobicContact CG-CB 4.19Å; S308-H319 PolarHBondContact OG-CD2 3.05Å; S308-H319 PolarHBondContact OG-NE2 2.93Å; Y310-H319 HydrophobicContact CE1-CB 4.44Å
320	L	98.6	Very high	96.9	Very high	0 Å²	0	36.7 Å²	36.7	0%	0	18%	0.181	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-103.5	113.3	175.9	-48	-174.6	0	0	0	109.4	V201 F213 L249 P254 F309 L311 W318 M322	V201-L320 HydrophobicContact CG1-CD1 3.87Å; V201-L320 HydrophobicContact CG1-CD2 4.36Å; V201-L320 HydrophobicContact CG2-CD1 4.12Å; F213-L320 HydrophobicContact CE2-CD2 4.13Å; L249-L320 HydrophobicContact CD1-CD1 3.81Å; P254-L320 HydrophobicContact CB-CD2 3.76Å; P254-L320 HydrophobicContact CG-CD2 3.79Å; F309-L320 HydrophobicContact CB-CB 4.15Å; F309-L320 HydrophobicContact CB-CD1 4.37Å; F309-L320 HydrophobicContact CD1-CD1 3.88Å; F309-L320 HydrophobicContact CD1-CG 4.44Å; F309-L320 HydrophobicContact CG-CD1 4.41Å; F309-L320 PolarHBondContact N-O 2.78Å; F309-L320 PolarHBondContact O-N 2.71Å; L311-L320 HydrophobicContact CB-CD1 3.92Å; L311-L320 HydrophobicContact CB-CD2 4.17Å; L311-L320 HydrophobicContact CB-CG 4.02Å; L311-L320 HydrophobicContact CD2-CD1 4.47Å; L311-L320 HydrophobicContact CD2-CD2 4.35Å; W318-L320 HydrophobicContact CB-CD2 4.48Å; L320-M322 HydrophobicContact CB-SD 3.85Å; L320-M322 HydrophobicContact CD1-SD 4.35Å; L320-M322 PolarHBondContact O-N 3.48Å
321	P	98.3	Very high	96.6	Very high	44 Å²	44	38.7 Å²	38.7	29%	0.286	19%	0.189	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-74.8	94.1	171.8	29	-30.8	0	0	0	109.1	S251 G252 K307	S251-P321 CarbonylContact C-O 3.56Å; S251-P321 VanDerWaalsContact CA-O 3.23Å; S251-P321 WeakPolarHBondContact CA-O 3.22Å; S251-P321 WeakPolarHBondContact CB-O 3.45Å; G252-P321 PolarHBondContact N-O 3.06Å; K307-P321 CarbonylContact O-C 3.45Å
322	M	98.4	Very high	96.4	Very high	4 Å²	4	41.7 Å²	41.7	2%	0.02	20%	0.203	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-64.3	141.6	-168.1	-62	-60.7	-68.4	0	0	112.7	L249 Y250 V303 K307 F309 L320 Y326	L249-M322 HydrophobicContact CB-CE 4.13Å; L249-M322 HydrophobicContact CD2-CE 3.99Å; Y250-M322 WeakPolarHBondContact O-CA 3.36Å; Y250-M322 WeakPolarHBondContact O-CE 3.46Å; V303-M322 HydrophobicContact CG1-CE 4.07Å; V303-M322 HydrophobicContact CG1-CG 4.34Å; K307-M322 HydrophobicContact CB-CB 4.35Å; K307-M322 PolarHBondContact O-N 3.47Å; F309-M322 HydrophobicContact CB-CG 3.67Å; F309-M322 HydrophobicContact CB-SD 3.49Å; F309-M322 WeakPolarHBondContact CB-SD 3.44Å; F309-M322 HydrophobicContact CG-SD 4.26Å; L320-M322 HydrophobicContact CB-SD 3.85Å; L320-M322 HydrophobicContact CD1-SD 4.35Å; L320-M322 PolarHBondContact O-N 3.48Å; M322-Y326 HydrophobicContact CB-CD1 4.03Å; M322-Y326 WeakPolarHBondContact CE-O 3.46Å
323	K	97.4	Very high	96.1	Very high	73 Å²	73	45.9 Å²	45.9	32%	0.317	22%	0.223	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-126.9	144.8	179.5	-72.8	174.1	63	-156.6	0	109.5	S203 D204 Y250 Y326	S203-K323 PolarHBondContact O-NZ 3.31Å; D204-K323 VanDerWaalsContact CG-NZ 3.28Å; D204-K323 IonicContact OD1-NZ 3.62Å; D204-K323 PolarHBondContact OD1-NZ 2.83Å; D204-K323 IonicContact OD2-NZ 2.85Å; D204-K323 PolarHBondContact OD2-NZ 3.28Å; Y250-K323 WeakPolarHBondContact CB-O 3.49Å; Y250-K323 PolarHBondContact O-N 3.49Å; K323-Y326 WeakPolarHBondContact O-CA 3.26Å; K323-Y326 PolarHBondContact O-N 3.19Å
324	H	95.5	Very high	95.9	Very high	140 Å²	140	47.7 Å²	47.7	65%	0.648	23%	0.234	S	C	*	.	E	Extended strand (participates in β ladder)	trans	-54.5	136.2	171.7	-180	-79.7	0	0	0	110.8	Y326	H324-Y326 VanDerWaalsContact C-N 3.34Å; H324-Y326 HydrophobicContact CB-CD2 4.39Å; H324-Y326 HydrophobicContact CB-CE2 3.88Å; H324-Y326 AromaticContact CD2-CE2 3.82Å
325	P	96.1	Very high	95.7	Very high	35 Å²	35	51.5 Å²	51.5	23%	0.227	26%	0.259	C	S	.	.	E	Extended strand (participates in β ladder)	cis	-85.6	14.5	11.6	34.7	-36.2	0	0	0	115.9	Y250 V327	Y250-P325 VanDerWaalsContact CD2-CD 3.46Å; Y250-P325 HydrophobicContact CD2-CG 3.46Å; Y250-P325 VanDerWaalsContact CD2-CG 3.46Å; Y250-P325 HydrophobicContact CE2-CG 3.43Å; Y250-P325 VanDerWaalsContact CE2-CG 3.43Å; Y250-P325 HydrophobicContact CG-CG 4.32Å; P325-V327 PolarHBondContact O-N 3.06Å
326	Y	95.9	Very high	95.5	Very high	41 Å²	41	50 Å²	50	16%	0.161	25%	0.254	C	S	.	.	E	Extended strand (participates in β ladder)	trans	69.2	-66.6	176.3	-46	-78.4	0	0	0	113.1	L249 Y250 V304 K307 M322 K323 H324	L249-Y326 WeakPolarHBondContact CA-O 3.36Å; Y250-Y326 PolarHBondContact N-O 3.24Å; V304-Y326 HydrophobicContact CB-CE2 4.49Å; V304-Y326 HydrophobicContact CG1-CD2 4.1Å; V304-Y326 HydrophobicContact CG1-CE2 3.67Å; V304-Y326 HydrophobicContact CG2-CD2 4.16Å; V304-Y326 HydrophobicContact CG2-CG 4.29Å; K307-Y326 HydrophobicContact CG-CE1 4.32Å; M322-Y326 HydrophobicContact CB-CD1 4.03Å; M322-Y326 WeakPolarHBondContact CE-O 3.46Å; K323-Y326 WeakPolarHBondContact O-CA 3.26Å; K323-Y326 PolarHBondContact O-N 3.19Å; H324-Y326 VanDerWaalsContact C-N 3.34Å; H324-Y326 HydrophobicContact CB-CD2 4.39Å; H324-Y326 HydrophobicContact CB-CE2 3.88Å; H324-Y326 AromaticContact CD2-CE2 3.82Å
327	V	93.7	Very high	95.2	Very high	65 Å²	65	53 Å²	53	39%	0.394	28%	0.276	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-132.9	134.3	178.4	-170.3	0	0	0	0	108.9	W199 Y248 L249 V303 P325	W199-V327 HydrophobicContact CZ3-CG1 4.1Å; Y248-V327 CarbonylContact O-C 3.54Å; Y248-V327 VanDerWaalsContact O-CA 3.28Å; Y248-V327 WeakPolarHBondContact O-CA 3.45Å; L249-V327 HydrophobicContact CD2-CB 4.42Å; L249-V327 HydrophobicContact CD2-CG1 4.3Å; L249-V327 HydrophobicContact CD2-CG2 3.71Å; V303-V327 HydrophobicContact CG1-CG2 4.35Å; P325-V327 PolarHBondContact O-N 3.06Å
328	Q	93.6	Very high	95.1	Very high	73 Å²	73	55.7 Å²	55.7	34%	0.341	29%	0.289	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-144	137.4	174.9	-168.6	179.9	4.9	0	0	110.6	Y248 Y250 T330	Y248-Q328 PolarHBondContact N-O 3.26Å; Y248-Q328 PolarHBondContact O-N 3.45Å; Y250-Q328 HydrophobicContact CE2-CB 3.65Å; Y250-Q328 PolarHBondContact OH-OE1 3.19Å; Q328-T330 HydrophobicContact CG-CG2 3.79Å
329	I	91.9	Very high	94.9	Very high	82 Å²	82	58.3 Å²	58.3	42%	0.421	30%	0.303	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-102.4	126.6	168.3	-56.3	176.9	0	0	0	106.7	I102 T245 K246 I247	I102-I329 HydrophobicContact CD1-CD1 3.96Å; I102-I329 HydrophobicContact CG1-CD1 4.47Å; I102-I329 HydrophobicContact CG1-CG2 4.07Å; T245-I329 HydrophobicContact CG2-CG2 4Å; K246-I329 WeakPolarHBondContact O-CA 3.32Å; I247-I329 HydrophobicContact CG1-CG1 4.4Å; I247-I329 HydrophobicContact CG2-CG1 4.42Å
330	T	92.4	Very high	94.7	Very high	24 Å²	24	58.7 Å²	58.7	15%	0.147	31%	0.307	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-125.7	155.5	179.3	58.6	0	0	0	0	110.4	T245 K246 Y248 Q328	T245-T330 CarbonylContact C-O 3.54Å; T245-T330 WeakPolarHBondContact CA-O 3.44Å; K246-T330 PolarHBondContact N-O 3.34Å; K246-T330 PolarHBondContact O-N 2.87Å; Y248-T330 HydrophobicContact CD2-CG2 4.1Å; Y248-T330 HydrophobicContact CE2-CG2 4.31Å; Y248-T330 WeakPolarHBondContact CE2-OG1 3.39Å; Q328-T330 HydrophobicContact CG-CG2 3.79Å
331	Y	92.8	Very high	94.5	Very high	65 Å²	65	62.2 Å²	62.2	26%	0.255	33%	0.325	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-123.8	90.2	171.9	-174.9	-118.9	0	0	0	108.2	Q85 H101 M103 N243 Y244	Q85-Y331 PolarHBondContact OE1-OH 2.75Å; H101-Y331 VanDerWaalsContact CB-CB 3.49Å; H101-Y331 HydrophobicContact CB-CD1 4.03Å; H101-Y331 HydrophobicContact CB-CD2 4.04Å; H101-Y331 HydrophobicContact CB-CG 3.6Å; H101-Y331 AromaticContact CG-CD1 3.96Å; M103-Y331 HydrophobicContact CG-CD2 4.28Å; M103-Y331 HydrophobicContact CG-CE2 3.79Å; N243-Y331 VanDerWaalsContact C-CE2 3.46Å; N243-Y331 HydrophobicContact CB-CD1 3.73Å; N243-Y331 HydrophobicContact CB-CD2 4.03Å; N243-Y331 HydrophobicContact CB-CE1 3.32Å; N243-Y331 HydrophobicContact CB-CE2 3.63Å; N243-Y331 HydrophobicContact CB-CG 4.06Å; N243-Y331 PolarHBondContact ND2-O 3.45Å; N243-Y331 WeakPolarHBondContact O-CE2 3.45Å; N243-Y331 PolarHBondContact O-OH 3.13Å; Y244-Y331 WeakPolarHBondContact O-CA 3.37Å
332	E	93.1	Very high	94.2	Very high	65 Å²	65	63.3 Å²	63.3	30%	0.304	33%	0.328	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-118.4	153	-166	63.1	178.2	-165.7	0	0	112.1	N243 Y244 K246 Y248 V334	N243-E332 CarbonylContact C-O 3.5Å; N243-E332 WeakPolarHBondContact CA-O 3.43Å; Y244-E332 PolarHBondContact N-O 3.18Å; Y244-E332 PolarHBondContact O-N 3.46Å; Y244-E332 VanDerWaalsContact O-N 3.13Å; K246-E332 HydrophobicContact CG-CG 4.26Å; Y248-E332 PolarHBondContact OH-OE1 3.27Å; E332-V334 PolarHBondContact O-N 3.2Å
333	E	93.8	Very high	93.9	Very high	98 Å²	98	67.3 Å²	67.3	46%	0.458	35%	0.348	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-72.3	124.3	-177.5	-175.4	170.1	-158.9	0	0	110.8	Q241	Q241-E333 PolarHBondContact NE2-OE2 3.14Å
334	V	93.4	Very high	93.7	Very high	41 Å²	41	66.9 Å²	66.9	25%	0.248	35%	0.351	C	S	.	.			trans	-122.5	103	167.6	-173.8	0	0	0	0	107.1	H223 T242 Y244 E332	H223-V334 WeakPolarHBondContact CE1-CG1 3.41Å; T242-V334 PolarHBondContact O-N 2.63Å; T242-V334 VanDerWaalsContact O-O 3.12Å; T242-V334 PolarHBondContact OG1-O 3.19Å; Y244-V334 HydrophobicContact CD2-CB 3.76Å; Y244-V334 HydrophobicContact CD2-CG2 4.09Å; Y244-V334 HydrophobicContact CE2-CB 4.14Å; E332-V334 PolarHBondContact O-N 3.2Å
335	P	93.6	Very high	93.6	Very high	88 Å²	88	61.2 Å²	61.2	57%	0.571	33%	0.328	S	S	*	.			trans	-58.7	152.5	-176.3	-26	34.9	0	0	0	113.2	T242	T242-P335 WeakPolarHBondContact OG1-CA 3.17Å
336	L	94.4	Very high	93.3	Very high	31 Å²	31	63.4 Å²	63.4	16%	0.162	34%	0.336	C	S	.	.			trans	-62.2	143.6	168	-65.2	175.1	0	0	0	110.4	I171 Y226 L236 T242	I171-L336 HydrophobicContact CB-CD1 4.24Å; I171-L336 HydrophobicContact CD1-CD1 4.42Å; I171-L336 HydrophobicContact CD1-CD2 4.24Å; I171-L336 HydrophobicContact CG2-CD1 4.36Å; Y226-L336 HydrophobicContact CD2-CD2 3.43Å; Y226-L336 VanDerWaalsContact CD2-CD2 3.43Å; Y226-L336 HydrophobicContact CE2-CD2 3.57Å; Y226-L336 HydrophobicContact CG-CD2 4.32Å; L236-L336 HydrophobicContact CB-CD1 4.12Å; T242-L336 HydrophobicContact CG2-CD1 4.38Å; T242-L336 HydrophobicContact CG2-CD2 4.31Å; T242-L336 HydrophobicContact CG2-CG 3.98Å
337	P	91.6	Very high	93.1	Very high	88 Å²	88	65.5 Å²	65.5	57%	0.571	35%	0.352	S	S	*	.			trans	-77	0	-173.5	30.7	-35.1	0	0	0	115.1	R227 T230	R227-P337 HydrophobicContact CG-CB 3.75Å; R227-P337 HydrophobicContact CG-CG 3.92Å; T230-P337 PolarHBondContact OG1-O 2.9Å

Retrieved 337 of 337 residues in 306.1 ms (Link to these results)

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