A0A087YJG0_POEFO Loading...

Lactoylglutathione lyase

Catalyzes the conversion of hemimercaptal, formed from methylglyoxal and glutathione, to S-lactoylglutathione. Involved in the regulation of TNF-induced transcriptional activity of NF-kappa-B. Required for normal osteoclastogenesis.

AlphaFold DB , UniProt , Accession A0A087YJG0, Species POEFO (Poecilia formosa, Amazon molly), Gene n/a, Length 185 aa.

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(Predicted Aligned Error values between residue pairs)

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Site	Residue	pLDDT	pLDDT confidence	pLDDT₁₀	pLDDT10 confidence	SASA	SASA [Å²]	SASA₁₀	SASA10 [Å²]	RSA	RSA unformatted	RSA₁₀	RSA10 unformatted	Surface	Surface10 (not used)	Disorder (not used)	Disorder	Sec. str.	Secondary structure	Isomer	Phi (φ)	Psi (ψ)	Omega (ω)	Chi 1 (χ₁)	Chi 2 (χ₂)	Chi 3 (χ₃)	Chi 4 (χ₄)	Chi 5 (χ₅)	Tau (τ)	Contacts (colored by PAE)	Contact details
1	V	46.4	Very low	69.6	Low	167 Å²	167	138.5 Å²	138.5	100%	1.012	81%	0.811	S	S	*	*				0	113.2	0	-176	0	0	0	0	106.9	V3	V1-V3 PolarHBondContact O-N 2.61Å
2	L	44.8	Very low	71.6	Confident	172 Å²	172	131.9 Å²	131.9	90%	0.901	78%	0.778	S	S	*	*			trans	-66.6	102.3	176.5	-95.8	145.1	0	0	0	107.6	V4	L2-V4 PolarHBondContact O-N 2.63Å; L2-V4 VanDerWaalsContact O-N 3.1Å
3	V	55.6	Low	73.4	Confident	130 Å²	130	132.2 Å²	132.2	79%	0.788	77%	0.774	S	S	*	*			trans	-68.6	105.1	169.3	-179.4	0	0	0	0	105.9	V1 K5	V1-V3 PolarHBondContact O-N 2.61Å; V3-K5 PolarHBondContact O-N 3.04Å; V3-K5 VanDerWaalsContact O-N 3.13Å
4	V	61.8	Low	75	Confident	121 Å²	121	132.8 Å²	132.8	73%	0.733	77%	0.766	S	S	*	*			trans	-61.6	117	171.9	179.5	0	0	0	0	106.8	L2 M6	L2-V4 PolarHBondContact O-N 2.63Å; L2-V4 VanDerWaalsContact O-N 3.1Å; V4-M6 PolarHBondContact O-N 2.81Å; V4-M6 VanDerWaalsContact O-N 3.09Å
5	K	67.2	Low	76.4	Confident	200 Å²	200	126.7 Å²	126.7	87%	0.87	74%	0.737	S	S	*	*			trans	-66.1	109.6	173.4	-167.2	179.1	-179.3	-174.7	0	107	V3 G7	V3-K5 PolarHBondContact O-N 3.04Å; V3-K5 VanDerWaalsContact O-N 3.13Å; K5-G7 PolarHBondContact O-N 3.07Å
6	M	70.4	Confident	77.7	Confident	174 Å²	174	121.2 Å²	121.2	86%	0.857	71%	0.711	S	S	*	*			trans	-62.1	129.7	175.8	-67.9	-165	179.2	0	0	108.7	V4	V4-M6 PolarHBondContact O-N 2.81Å; V4-M6 VanDerWaalsContact O-N 3.09Å
7	G	74.4	Confident	78.8	Confident	66 Å²	66	117.9 Å²	117.9	68%	0.68	70%	0.701	S	S	*	*			trans	-73.3	156.1	172.3	0	0	0	0	0	111	K5 T9	K5-G7 PolarHBondContact O-N 3.07Å; G7-T9 VanDerWaalsContact C-N 3.3Å; G7-T9 PolarHBondContact O-N 3.33Å
8	D	79.9	Confident	79.8	Confident	170 Å²	170	115.9 Å²	115.9	91%	0.909	70%	0.7	S	S	*	*	S	Bend	trans	-77.5	-16.4	-177.6	-61.4	-38.9	0	0	0	113.1
9	T	83.9	Confident	80.7	Confident	128 Å²	128	113.7 Å²	113.7	79%	0.785	70%	0.695	S	S	*	*	S	Bend	trans	-142.2	149.4	179.7	58.3	0	0	0	0	111.4	G7	G7-T9 VanDerWaalsContact C-N 3.3Å; G7-T9 PolarHBondContact O-N 3.33Å
10	G	87.9	Confident	81.6	Confident	71 Å²	71	113.1 Å²	113.1	73%	0.732	69%	0.694	S	S	*	*			trans	-73.7	179.8	169.9	0	0	0	0	0	113
11	L	92.8	Very high	82.2	Confident	124 Å²	124	116.9 Å²	116.9	65%	0.649	70%	0.701	S	S	*	*			trans	-63	137.7	168.6	-165.7	67.4	0	0	0	109.2	A15 A16	L11-A15 HydrophobicContact CD1-CB 3.57Å; L11-A15 HydrophobicContact CG-CB 3.78Å; L11-A16 HydrophobicContact CD2-CB 3.91Å; L11-A16 HydrophobicContact CG-CB 4.42Å
12	S	94.3	Very high	84.6	Confident	60 Å²	60	116.9 Å²	116.9	42%	0.42	70%	0.696	S	S	.	*			trans	-70	159.9	174.7	85.4	0	0	0	0	111.2	E14 A15 A16	S12-E14 VanDerWaalsContact C-N 3.26Å; S12-E14 WeakPolarHBondContact CB-OE2 3.48Å; S12-E14 PolarHBondContact O-N 3.01Å; S12-E14 PolarHBondContact OG-N 3.28Å; S12-E14 PolarHBondContact OG-OE2 3.07Å; S12-A15 PolarHBondContact O-N 2.94Å; S12-A15 VanDerWaalsContact O-N 3.17Å; S12-A15 PolarHBondContact OG-N 3.36Å; S12-A16 WeakPolarHBondContact O-CB 3.18Å; S12-A16 PolarHBondContact O-N 3.42Å
13	D	94.5	Very high	87	Confident	136 Å²	136	111.6 Å²	111.6	73%	0.727	68%	0.682	S	S	*	*	H	α-helix	trans	-59.4	-38.9	177.7	-69.3	-10.6	0	0	0	111.6	A16 A17	D13-A16 PolarHBondContact O-N 3.5Å; D13-A17 WeakPolarHBondContact O-CB 3.38Å; D13-A17 PolarHBondContact O-N 2.86Å
14	E	96.4	Very high	89	Confident	140 Å²	140	110.3 Å²	110.3	65%	0.654	67%	0.671	S	S	*	*	H	α-helix	trans	-65.9	-42.7	176.7	-56.9	76.8	-167	0	0	111.7	S12 A17 A18	S12-E14 VanDerWaalsContact C-N 3.26Å; S12-E14 WeakPolarHBondContact CB-OE2 3.48Å; S12-E14 PolarHBondContact O-N 3.01Å; S12-E14 PolarHBondContact OG-N 3.28Å; S12-E14 PolarHBondContact OG-OE2 3.07Å; E14-A17 PolarHBondContact O-N 2.92Å; E14-A18 VanDerWaalsContact O-CB 3.26Å; E14-A18 WeakPolarHBondContact O-CB 3.39Å; E14-A18 PolarHBondContact O-N 2.81Å
15	A	96.3	Very high	90.7	Very high	41 Å²	41	109.5 Å²	109.5	34%	0.339	67%	0.668	S	S	.	*	H	α-helix	trans	-70	-34.8	178.9	0	0	0	0	0	111.7	L11 S12 A19	L11-A15 HydrophobicContact CD1-CB 3.57Å; L11-A15 HydrophobicContact CG-CB 3.78Å; S12-A15 PolarHBondContact O-N 2.94Å; S12-A15 VanDerWaalsContact O-N 3.17Å; S12-A15 PolarHBondContact OG-N 3.36Å; A15-A19 PolarHBondContact O-N 2.93Å
16	A	96.9	Very high	92.2	Very high	39 Å²	39	106.3 Å²	106.3	32%	0.322	66%	0.66	S	S	.	*	H	α-helix	trans	-64.4	-49	172.1	0	0	0	0	0	111.2	L11 S12 D13 A18 A19 C20	L11-A16 HydrophobicContact CD2-CB 3.91Å; L11-A16 HydrophobicContact CG-CB 4.42Å; S12-A16 WeakPolarHBondContact O-CB 3.18Å; S12-A16 PolarHBondContact O-N 3.42Å; D13-A16 PolarHBondContact O-N 3.5Å; A16-A18 VanDerWaalsContact C-N 3.34Å; A16-A18 PolarHBondContact O-N 3.02Å; A16-A19 WeakPolarHBondContact O-CB 3.44Å; A16-A19 PolarHBondContact O-N 3.17Å; A16-A19 VanDerWaalsContact O-N 3.14Å; A16-C20 PolarHBondContact O-N 3.28Å
17	A	96.5	Very high	93.5	Very high	66 Å²	66	100.9 Å²	100.9	55%	0.545	64%	0.637	S	S	.	*	H	α-helix	trans	-60.9	-41.9	177.1	0	0	0	0	0	112.1	D13 E14 A19 C20	D13-A17 WeakPolarHBondContact O-CB 3.38Å; D13-A17 PolarHBondContact O-N 2.86Å; E14-A17 PolarHBondContact O-N 2.92Å; A17-A19 PolarHBondContact O-N 2.73Å; A17-C20 WeakPolarHBondContact O-CB 3.44Å; A17-C20 PolarHBondContact O-N 3.42Å; A17-C20 VanDerWaalsContact O-N 3.1Å
18	A	96.8	Very high	94.6	Very high	81 Å²	81	105 Å²	105	67%	0.669	64%	0.636	S	S	*	*	H	α-helix	trans	-65.4	-23.6	177.5	0	0	0	0	0	113.5	E14 A16 C20	E14-A18 VanDerWaalsContact O-CB 3.26Å; E14-A18 WeakPolarHBondContact O-CB 3.39Å; E14-A18 PolarHBondContact O-N 2.81Å; A16-A18 VanDerWaalsContact C-N 3.34Å; A16-A18 PolarHBondContact O-N 3.02Å; A18-C20 VanDerWaalsContact C-N 3.35Å
19	A	97.2	Very high	95.4	Very high	74 Å²	74	102.6 Å²	102.6	61%	0.612	62%	0.623	S	S	*	*	H	α-helix	trans	-78.3	-19.8	175.1	0	0	0	0	0	112.9	A15 A16 A17	A15-A19 PolarHBondContact O-N 2.93Å; A16-A19 WeakPolarHBondContact O-CB 3.44Å; A16-A19 PolarHBondContact O-N 3.17Å; A16-A19 VanDerWaalsContact O-N 3.14Å; A17-A19 PolarHBondContact O-N 2.73Å
20	C	97	Very high	96.1	Very high	101 Å²	101	103.8 Å²	103.8	68%	0.682	62%	0.618	S	S	*	*			trans	-83.3	134.9	178.5	-63.8	0	0	0	0	111.4	A16 A17 A18	A16-C20 PolarHBondContact O-N 3.28Å; A17-C20 WeakPolarHBondContact O-CB 3.44Å; A17-C20 PolarHBondContact O-N 3.42Å; A17-C20 VanDerWaalsContact O-N 3.1Å; A18-C20 VanDerWaalsContact C-N 3.35Å
21	K	96	Very high	96.6	Very high	194 Å²	194	103.8 Å²	103.8	84%	0.843	60%	0.599	S	S	*	*			trans	-126.1	152.5	176.1	-61.4	178.9	-175.9	176.5	0	109.4
22	D	96.6	Very high	96.9	Very high	167 Å²	167	104.1 Å²	104.1	89%	0.893	60%	0.599	S	S	*	*	P	Polyproline II helix	trans	-59.3	140.5	171.2	-67	-29.7	0	0	0	110.6
23	G	94.8	Very high	97.1	Very high	60 Å²	60	102.2 Å²	102.2	62%	0.619	58%	0.584	S	S	*	*	P	Polyproline II helix	trans	-70.3	149.1	176.8	0	0	0	0	0	112
24	D	97.8	Very high	97.3	Very high	104 Å²	104	98.7 Å²	98.7	56%	0.556	56%	0.563	S	S	*	*	P	Polyproline II helix	trans	-62.8	136.7	171	-171.7	-68	0	0	0	109.8	L26 T27	D24-L26 PolarHBondContact O-N 2.87Å; D24-L26 WeakPolarHBondContact OD1-CB 3.24Å; D24-L26 PolarHBondContact OD1-N 3.24Å; D24-T27 HydrophobicContact CB-CG2 4.41Å; D24-T27 WeakPolarHBondContact O-CB 3.28Å; D24-T27 PolarHBondContact O-N 2.97Å; D24-T27 PolarHBondContact O-OG1 3.41Å
25	P	98	Very high	97.4	Very high	103 Å²	103	94.2 Å²	94.2	67%	0.669	55%	0.545	S	S	*	.	G	3₁₀ helix	trans	-51.6	-26.6	178	-28.8	35.7	0	0	0	114.8	T27 K28	P25-T27 PolarHBondContact O-N 3.26Å; P25-K28 WeakPolarHBondContact O-CB 3.47Å; P25-K28 WeakPolarHBondContact O-CD 3.42Å; P25-K28 VanDerWaalsContact O-CG 3.24Å; P25-K28 WeakPolarHBondContact O-CG 3.39Å; P25-K28 PolarHBondContact O-N 3.3Å
26	L	98.1	Very high	97.5	Very high	134 Å²	134	95.2 Å²	95.2	70%	0.702	54%	0.544	S	S	*	.	G	3₁₀ helix	trans	-61.6	-29	174.4	-176.2	63.4	0	0	0	112.9	D24 K28	D24-L26 PolarHBondContact O-N 2.87Å; D24-L26 WeakPolarHBondContact OD1-CB 3.24Å; D24-L26 PolarHBondContact OD1-N 3.24Å; L26-K28 VanDerWaalsContact C-N 3.33Å
27	T	97.8	Very high	97.6	Very high	59 Å²	59	93.7 Å²	93.7	36%	0.362	53%	0.53	S	S	.	.	G	3₁₀ helix	trans	-86	-2.9	-176	65.2	0	0	0	0	113.8	D24 P25 D29 F30	D24-T27 HydrophobicContact CB-CG2 4.41Å; D24-T27 WeakPolarHBondContact O-CB 3.28Å; D24-T27 PolarHBondContact O-N 2.97Å; D24-T27 PolarHBondContact O-OG1 3.41Å; P25-T27 PolarHBondContact O-N 3.26Å; T27-D29 PolarHBondContact O-N 2.99Å; T27-D29 VanDerWaalsContact O-N 3.08Å; T27-F30 HydrophobicContact CG2-CD2 4.28Å; T27-F30 HydrophobicContact CG2-CE2 4.14Å; T27-F30 WeakPolarHBondContact O-CB 3.34Å; T27-F30 PolarHBondContact O-N 2.91Å
28	K	97.5	Very high	97.7	Very high	153 Å²	153	96.2 Å²	96.2	67%	0.665	53%	0.525	S	S	*	.	T	Hydrogen-bonded Turn	trans	-58.5	-27.4	-172.3	74.3	-177	-176.9	64.3	0	114.6	P25 L26	P25-K28 WeakPolarHBondContact O-CB 3.47Å; P25-K28 WeakPolarHBondContact O-CD 3.42Å; P25-K28 VanDerWaalsContact O-CG 3.24Å; P25-K28 WeakPolarHBondContact O-CG 3.39Å; P25-K28 PolarHBondContact O-N 3.3Å; L26-K28 VanDerWaalsContact C-N 3.33Å
29	D	97.1	Very high	97.8	Very high	119 Å²	119	92.3 Å²	92.3	64%	0.636	49%	0.493	S	S	*	.	T	Hydrogen-bonded Turn	trans	-104.5	5.1	-178.1	-56.1	-44.3	0	0	0	112.5	T27	T27-D29 PolarHBondContact O-N 2.99Å; T27-D29 VanDerWaalsContact O-N 3.08Å
30	F	98.3	Very high	97.9	Very high	154 Å²	154	90.9 Å²	90.9	68%	0.675	47%	0.473	S	S	*	.			trans	-68.8	153.7	174.9	-74.4	17.5	0	0	0	110.3	T27	T27-F30 HydrophobicContact CG2-CD2 4.28Å; T27-F30 HydrophobicContact CG2-CE2 4.14Å; T27-F30 WeakPolarHBondContact O-CB 3.34Å; T27-F30 PolarHBondContact O-N 2.91Å
31	M	97.8	Very high	98	Very high	70 Å²	70	87.8 Å²	87.8	35%	0.345	45%	0.45	S	S	.	.			trans	-146.8	148.2	179.2	56.9	175.2	-109.5	0	0	112.6	Q33 S94 R95 R96	M31-Q33 HydrophobicContact CE-CB 3.76Å; M31-Q33 HydrophobicContact CE-CG 3.55Å; M31-Q33 PolarHBondContact O-N 3.49Å; M31-S94 WeakPolarHBondContact CE-O 3.42Å; M31-R95 VanDerWaalsContact CE-C 3.42Å; M31-R95 WeakPolarHBondContact CE-O 3.13Å; M31-R96 HydrophobicContact CB-CG 4.39Å; M31-R96 HydrophobicContact CE-CG 3.91Å; M31-R96 HydrophobicContact SD-CG 4.04Å
32	M	98.4	Very high	98.1	Very high	132 Å²	132	79.3 Å²	79.3	65%	0.65	42%	0.415	S	S	*	.			trans	-74.3	94.3	169.3	-173.4	60	-177.9	0	0	109.2	Q34 A97	M32-Q34 VanDerWaalsContact CE-O 3.29Å; M32-Q34 WeakPolarHBondContact CE-O 3Å; M32-A97 PolarHBondContact O-N 2.84Å
33	Q	98.8	Very high	98.2	Very high	19 Å²	19	74.6 Å²	74.6	9%	0.089	40%	0.399	C	S	.	.			trans	-83.7	-48.7	-171.3	-165.3	-72.2	-56.1	0	0	112.2	M31 T92 F93 R95 A97 T98	M31-Q33 HydrophobicContact CE-CB 3.76Å; M31-Q33 HydrophobicContact CE-CG 3.55Å; M31-Q33 PolarHBondContact O-N 3.49Å; Q33-T92 PolarHBondContact NE2-O 2.96Å; Q33-F93 WeakPolarHBondContact CG-O 3.35Å; Q33-R95 WeakPolarHBondContact CG-O 3.38Å; Q33-R95 PolarHBondContact NE2-O 3.03Å; Q33-A97 PolarHBondContact O-N 2.95Å; Q33-T98 PolarHBondContact NE2-OG1 2.89Å; Q33-T98 PolarHBondContact O-N 3.46Å; Q33-T98 PolarHBondContact O-OG1 3.43Å
34	Q	98.8	Very high	98.4	Very high	62 Å²	62	77.9 Å²	77.9	29%	0.29	40%	0.396	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-141	153.2	-172.3	65	-151.7	-67.3	0	0	113.3	M32 F72 T98 E100	M32-Q34 VanDerWaalsContact CE-O 3.29Å; M32-Q34 WeakPolarHBondContact CE-O 3Å; Q34-F72 VanDerWaalsContact OE1-CE1 3.31Å; Q34-T98 CarbonylContact C-O 3.59Å; Q34-T98 VanDerWaalsContact CA-O 3.26Å; Q34-T98 WeakPolarHBondContact CA-O 3.43Å; Q34-T98 WeakPolarHBondContact CB-OG1 3.48Å; Q34-E100 PolarHBondContact OE1-OE2 2.84Å
35	T	98.9	Very high	98.5	Very high	46 Å²	46	72.9 Å²	72.9	28%	0.282	37%	0.37	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-120	125.9	158.2	-65.6	0	0	0	0	108.2	T98 V99 E100 I128	T35-T98 PolarHBondContact N-O 3.14Å; T35-V99 WeakPolarHBondContact O-CA 3.26Å; T35-E100 PolarHBondContact O-N 2.93Å; T35-I128 HydrophobicContact CG2-CG2 4Å
36	M	98.9	Very high	98.5	Very high	63 Å²	63	69.7 Å²	69.7	31%	0.31	35%	0.347	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-97.8	130.6	-176.6	-176.1	-79.9	-145.7	0	0	111.1	R38 E100 T102	M36-R38 HydrophobicContact CE-CG 3.8Å; M36-R38 HydrophobicContact SD-CG 4.15Å; M36-E100 CarbonylContact C-O 3.25Å; M36-E100 VanDerWaalsContact CA-O 3.24Å; M36-E100 WeakPolarHBondContact CA-O 3.5Å; M36-E100 HydrophobicContact CB-CB 4.13Å; M36-E100 HydrophobicContact CB-CG 4.43Å; M36-E100 WeakPolarHBondContact CB-OE2 3.28Å; M36-E100 HydrophobicContact CG-CB 4.24Å; M36-E100 HydrophobicContact CG-CG 4.05Å; M36-E100 WeakPolarHBondContact CG-OE2 3.38Å; M36-T102 VanDerWaalsContact CE-CB 3.44Å; M36-T102 HydrophobicContact CE-CG2 3.88Å; M36-T102 WeakPolarHBondContact CE-OG1 3.4Å; M36-T102 WeakPolarHBondContact CG-OG1 3.09Å
37	L	98.9	Very high	98.5	Very high	6 Å²	6	66.7 Å²	66.7	3%	0.031	33%	0.331	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-126	137.4	172.6	-59.8	175.8	0	0	0	109	V99 E100 L101 T102 F125 Y170	L37-V99 HydrophobicContact CD1-CG1 4.48Å; L37-E100 PolarHBondContact N-O 3.33Å; L37-L101 HydrophobicContact CB-CD2 4.23Å; L37-L101 CarbonylContact O-C 3.07Å; L37-L101 WeakPolarHBondContact O-CA 3.49Å; L37-T102 PolarHBondContact O-N 3.19Å; L37-F125 HydrophobicContact CD2-CE1 4.01Å; L37-F125 HydrophobicContact CD2-CE2 4.44Å; L37-F125 HydrophobicContact CD2-CZ 3.91Å; L37-Y170 HydrophobicContact CB-CD2 4.43Å; L37-Y170 HydrophobicContact CB-CE2 4.14Å; L37-Y170 HydrophobicContact CD1-CD2 4.25Å; L37-Y170 HydrophobicContact CD1-CG 4.31Å; L37-Y170 HydrophobicContact CD2-CD1 4.14Å; L37-Y170 HydrophobicContact CD2-CE1 4.08Å; L37-Y170 HydrophobicContact CD2-CE2 4.5Å; L37-Y170 HydrophobicContact CD2-CG 4.36Å
38	R	98.9	Very high	98.6	Very high	119 Å²	119	64.6 Å²	64.6	45%	0.449	32%	0.317	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-83.9	135.2	171.7	-71.3	176.7	174.9	70.5	1.1	108.9	M36 T102 Y115 Y170	M36-R38 HydrophobicContact CE-CG 3.8Å; M36-R38 HydrophobicContact SD-CG 4.15Å; R38-T102 CarbonylContact C-O 3.59Å; R38-T102 WeakPolarHBondContact CA-O 3.43Å; R38-Y115 HydrophobicContact CB-CD1 3.71Å; R38-Y115 HydrophobicContact CB-CD2 4.05Å; R38-Y115 HydrophobicContact CB-CE1 3.48Å; R38-Y115 VanDerWaalsContact CB-CE1 3.48Å; R38-Y115 HydrophobicContact CB-CE2 3.84Å; R38-Y115 HydrophobicContact CB-CG 3.99Å; R38-Y115 HydrophobicContact CG-CE1 4.13Å; R38-Y115 WeakPolarHBondContact O-CD2 3.24Å; R38-Y170 VanDerWaalsContact O-CE2 3.3Å; R38-Y170 WeakPolarHBondContact O-CE2 3.19Å; R38-Y170 PolarHBondContact O-OH 3.2Å
39	V	98.9	Very high	98.7	Very high	0 Å²	0	57.3 Å²	57.3	0%	0	29%	0.286	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-120.7	138.5	-179.9	-64.2	0	0	0	0	111.2	P42 S45 L101 T102 H103 Y115 D168	V39-P42 HydrophobicContact CG2-CB 4.46Å; V39-S45 WeakPolarHBondContact CB-OG 3.32Å; V39-S45 WeakPolarHBondContact CG1-OG 3.19Å; V39-L101 HydrophobicContact CG1-CB 4.07Å; V39-L101 HydrophobicContact CG1-CD1 4.27Å; V39-L101 HydrophobicContact CG1-CD2 3.78Å; V39-L101 HydrophobicContact CG1-CG 4.25Å; V39-L101 HydrophobicContact CG2-CB 4Å; V39-T102 PolarHBondContact N-O 3.4Å; V39-H103 HydrophobicContact CG2-CB 4.36Å; V39-Y115 WeakPolarHBondContact O-CE2 3.5Å; V39-D168 WeakPolarHBondContact CA-OD2 3.18Å; V39-D168 WeakPolarHBondContact CB-OD2 3.32Å
40	K	98.8	Very high	98.8	Very high	43 Å²	43	53.9 Å²	53.9	19%	0.187	27%	0.269	C	S	.	.	S	Bend	trans	-73.5	-48.9	-177.7	174.9	-179.8	178.4	67.1	0	111	S107 E108 D110 Q113 Y115 D168	K40-S107 WeakPolarHBondContact CG-O 3.31Å; K40-S107 PolarHBondContact NZ-O 2.92Å; K40-S107 CarbonylContact O-C 3.5Å; K40-S107 PolarHBondContact O-OG 3.09Å; K40-E108 WeakPolarHBondContact O-CA 3.29Å; K40-E108 PolarHBondContact O-N 3.13Å; K40-E108 VanDerWaalsContact O-N 3.11Å; K40-D110 PolarHBondContact NZ-O 3.19Å; K40-Q113 WeakPolarHBondContact CD-O 3.47Å; K40-Q113 WeakPolarHBondContact CE-O 3.4Å; K40-Q113 PolarHBondContact NZ-O 2.9Å; K40-Y115 HydrophobicContact CB-CD2 4.35Å; K40-Y115 HydrophobicContact CB-CE2 4.29Å; K40-D168 WeakPolarHBondContact CB-OD1 3.38Å; K40-D168 PolarHBondContact N-OD1 3.47Å; K40-D168 PolarHBondContact N-OD2 2.89Å
41	D	98.8	Very high	98.8	Very high	36 Å²	36	52.7 Å²	52.7	19%	0.193	26%	0.26	C	S	.	.			trans	-127.2	100.4	-176.1	-178.7	-16	0	0	0	109	A43 K44 S45 E108	D41-A43 PolarHBondContact O-N 3.14Å; D41-A43 WeakPolarHBondContact OD1-CB 3.21Å; D41-A43 PolarHBondContact OD1-N 3.39Å; D41-K44 HydrophobicContact CB-CB 4.36Å; D41-K44 HydrophobicContact CB-CD 4.07Å; D41-K44 HydrophobicContact CB-CG 4.28Å; D41-K44 PolarHBondContact O-N 2.98Å; D41-K44 PolarHBondContact OD1-N 3.26Å; D41-K44 WeakPolarHBondContact OD2-CD 3.28Å; D41-K44 WeakPolarHBondContact OD2-CE 3.45Å; D41-K44 WeakPolarHBondContact OD2-CG 3.38Å; D41-K44 IonicContact OD2-NZ 3.3Å; D41-S45 PolarHBondContact O-N 3.18Å; D41-S45 VanDerWaalsContact O-N 3.14Å; D41-S45 PolarHBondContact O-OG 2.95Å; D41-E108 HydrophobicContact CB-CB 4.11Å
42	P	98.8	Very high	98.8	Very high	17 Å²	17	49.9 Å²	49.9	11%	0.11	25%	0.246	C	C	.	.	H	α-helix	trans	-64.9	-24.1	-174.5	28.2	-36.1	0	0	0	112.3	V39 L46 F71 H103	V39-P42 HydrophobicContact CG2-CB 4.46Å; P42-L46 WeakPolarHBondContact O-CB 3.06Å; P42-L46 WeakPolarHBondContact O-CD1 3.47Å; P42-L46 WeakPolarHBondContact O-CG 3.18Å; P42-L46 PolarHBondContact O-N 3.01Å; P42-F71 HydrophobicContact CB-CD2 4.27Å; P42-F71 HydrophobicContact CB-CE2 3.53Å; P42-F71 HydrophobicContact CB-CZ 3.82Å; P42-F71 HydrophobicContact CG-CE2 4.29Å; P42-F71 HydrophobicContact CG-CZ 4.38Å; P42-H103 HydrophobicContact CB-CB 4.2Å; P42-H103 VanDerWaalsContact CD-CD2 3.48Å; P42-H103 WeakPolarHBondContact CD-CD2 3.31Å; P42-H103 HydrophobicContact CG-CB 4.19Å
43	A	98.8	Very high	98.8	Very high	67 Å²	67	44.2 Å²	44.2	55%	0.554	22%	0.218	S	C	*	.	H	α-helix	trans	-67.1	-43.3	177.8	0	0	0	0	0	110.9	D41 D47	D41-A43 PolarHBondContact O-N 3.14Å; D41-A43 WeakPolarHBondContact OD1-CB 3.21Å; D41-A43 PolarHBondContact OD1-N 3.39Å; A43-D47 WeakPolarHBondContact O-CB 3.21Å; A43-D47 PolarHBondContact O-N 3.45Å
44	K	98.8	Very high	98.8	Very high	129 Å²	129	45.6 Å²	45.6	56%	0.561	24%	0.238	S	C	*	.	H	α-helix	trans	-66.2	-44.8	175.6	-67.2	177.4	-174.8	167.4	0	111.5	D41 D47 F48 P167	D41-K44 HydrophobicContact CB-CB 4.36Å; D41-K44 HydrophobicContact CB-CD 4.07Å; D41-K44 HydrophobicContact CB-CG 4.28Å; D41-K44 PolarHBondContact O-N 2.98Å; D41-K44 PolarHBondContact OD1-N 3.26Å; D41-K44 WeakPolarHBondContact OD2-CD 3.28Å; D41-K44 WeakPolarHBondContact OD2-CE 3.45Å; D41-K44 WeakPolarHBondContact OD2-CG 3.38Å; D41-K44 IonicContact OD2-NZ 3.3Å; K44-D47 PolarHBondContact O-N 3.05Å; K44-F48 WeakPolarHBondContact O-CB 3.29Å; K44-F48 PolarHBondContact O-N 3.29Å; K44-P167 HydrophobicContact CB-CB 4Å; K44-P167 HydrophobicContact CB-CG 4.15Å
45	S	98.9	Very high	98.8	Very high	0 Å²	0	43 Å²	43	0%	0	23%	0.226	C	C	.	.	H	α-helix	trans	-66.8	-43.1	-179.6	-44.5	0	0	0	0	111.2	V39 D41 D47 F48 Y49 D168	V39-S45 WeakPolarHBondContact CB-OG 3.32Å; V39-S45 WeakPolarHBondContact CG1-OG 3.19Å; D41-S45 PolarHBondContact O-N 3.18Å; D41-S45 VanDerWaalsContact O-N 3.14Å; D41-S45 PolarHBondContact O-OG 2.95Å; S45-D47 PolarHBondContact O-N 2.98Å; S45-F48 PolarHBondContact O-N 2.89Å; S45-Y49 VanDerWaalsContact O-CD2 3.22Å; S45-Y49 WeakPolarHBondContact O-CD2 3.43Å; S45-Y49 PolarHBondContact O-N 2.84Å; S45-D168 PolarHBondContact OG-OD2 2.92Å
46	L	98.9	Very high	98.8	Very high	36 Å²	36	41.4 Å²	41.4	19%	0.188	22%	0.216	C	C	.	.	H	α-helix	trans	-61.7	-43.8	175.8	-72.6	169.9	0	0	0	111.9	P42 T50 L57 F71 L73	P42-L46 WeakPolarHBondContact O-CB 3.06Å; P42-L46 WeakPolarHBondContact O-CD1 3.47Å; P42-L46 WeakPolarHBondContact O-CG 3.18Å; P42-L46 PolarHBondContact O-N 3.01Å; L46-T50 VanDerWaalsContact O-CB 3.3Å; L46-T50 WeakPolarHBondContact O-CB 3.45Å; L46-T50 VanDerWaalsContact O-CG2 3.28Å; L46-T50 WeakPolarHBondContact O-CG2 3.49Å; L46-T50 PolarHBondContact O-N 3.25Å; L46-T50 PolarHBondContact O-OG1 3.49Å; L46-L57 HydrophobicContact CD2-CD1 4.1Å; L46-L57 HydrophobicContact CD2-CD2 4.38Å; L46-F71 HydrophobicContact CD1-CD1 3.9Å; L46-F71 HydrophobicContact CD1-CE1 3.81Å; L46-F71 HydrophobicContact CD1-CZ 4.41Å; L46-F71 HydrophobicContact CD2-CB 4.19Å; L46-F71 HydrophobicContact CD2-CD1 4.07Å; L46-F71 HydrophobicContact CD2-CG 4.27Å; L46-F71 HydrophobicContact CG-CD1 4.43Å; L46-L73 HydrophobicContact CD2-CD1 4.29Å; L46-L73 HydrophobicContact CD2-CD2 4.26Å
47	D	98.9	Very high	98.8	Very high	70 Å²	70	41.7 Å²	41.7	37%	0.374	22%	0.218	S	C	.	.	H	α-helix	trans	-58.9	-49.7	174.1	176.8	68.8	0	0	0	110.9	A43 K44 S45 T50 R51	A43-D47 WeakPolarHBondContact O-CB 3.21Å; A43-D47 PolarHBondContact O-N 3.45Å; K44-D47 PolarHBondContact O-N 3.05Å; S45-D47 PolarHBondContact O-N 2.98Å; D47-T50 PolarHBondContact O-N 3.16Å; D47-R51 WeakPolarHBondContact O-CA 3.44Å; D47-R51 WeakPolarHBondContact O-CB 3.36Å; D47-R51 PolarHBondContact O-N 2.93Å; D47-R51 WeakPolarHBondContact OD1-CD 3.43Å; D47-R51 IonicContact OD1-CZ 3.4Å; D47-R51 IonicContact OD1-NE 3.23Å; D47-R51 PolarHBondContact OD1-NE 2.79Å; D47-R51 IonicContact OD1-NH2 2.72Å; D47-R51 IonicContact OD2-CZ 3.82Å; D47-R51 IonicContact OD2-NE 3.82Å; D47-R51 PolarHBondContact OD2-NE 3.09Å; D47-R51 IonicContact OD2-NH2 3.76Å; D47-R51 PolarHBondContact OD2-NH2 3.08Å
48	F	98.9	Very high	98.8	Very high	16 Å²	16	41.5 Å²	41.5	7%	0.07	22%	0.217	C	C	.	.	I	π-helix	trans	-59.1	-57.1	179.8	180	-94.1	0	0	0	112.3	K44 S45 T50 I52 L53 V147 I164 Q165 D166 P167 I172	K44-F48 WeakPolarHBondContact O-CB 3.29Å; K44-F48 PolarHBondContact O-N 3.29Å; S45-F48 PolarHBondContact O-N 2.89Å; F48-T50 VanDerWaalsContact C-N 3.27Å; F48-T50 PolarHBondContact O-N 2.97Å; F48-I52 HydrophobicContact CD2-CB 4.21Å; F48-I52 HydrophobicContact CD2-CG1 4.09Å; F48-I52 HydrophobicContact CD2-CG2 4.42Å; F48-I52 HydrophobicContact CE2-CB 4.44Å; F48-I52 HydrophobicContact CE2-CG2 4.16Å; F48-I52 WeakPolarHBondContact O-CA 3.36Å; F48-I52 WeakPolarHBondContact O-CB 3.47Å; F48-I52 PolarHBondContact O-N 3.12Å; F48-L53 HydrophobicContact CD1-CD1 4.15Å; F48-L53 HydrophobicContact CD1-CG 4.5Å; F48-L53 HydrophobicContact CE1-CD1 3.54Å; F48-L53 HydrophobicContact CE1-CG 4.01Å; F48-L53 HydrophobicContact CZ-CD1 4.26Å; F48-L53 HydrophobicContact CZ-CG 4.41Å; F48-L53 PolarHBondContact O-N 2.81Å; F48-L53 VanDerWaalsContact O-N 3.12Å; F48-V147 HydrophobicContact CE2-CG1 4.22Å; F48-V147 HydrophobicContact CE2-CG2 4.39Å; F48-I164 HydrophobicContact CZ-CD1 4.01Å; F48-Q165 WeakPolarHBondContact CZ-O 3.26Å; F48-D166 HydrophobicContact CD1-CB 3.94Å; F48-D166 HydrophobicContact CE1-CB 3.64Å; F48-D166 HydrophobicContact CZ-CB 4.2Å; F48-P167 HydrophobicContact CB-CG 3.74Å; F48-P167 HydrophobicContact CD2-CG 4.49Å; F48-P167 HydrophobicContact CG-CG 4.11Å; F48-I172 HydrophobicContact CE1-CD1 3.7Å; F48-I172 HydrophobicContact CZ-CD1 4.23Å
49	Y	98.9	Very high	98.8	Very high	0 Å²	0	36.4 Å²	36.4	0%	0	20%	0.199	C	C	.	.	I	π-helix	trans	-66.7	-28.3	-175.4	-77.4	-79.2	0	0	0	112.9	S45 L53 G54 M55 L101 I128 D166 I172	S45-Y49 VanDerWaalsContact O-CD2 3.22Å; S45-Y49 WeakPolarHBondContact O-CD2 3.43Å; S45-Y49 PolarHBondContact O-N 2.84Å; Y49-L53 HydrophobicContact CD1-CD1 3.69Å; Y49-L53 HydrophobicContact CE1-CD1 3.95Å; Y49-L53 WeakPolarHBondContact O-CB 3.28Å; Y49-G54 PolarHBondContact O-N 3.49Å; Y49-M55 HydrophobicContact CD1-CE 4.22Å; Y49-M55 HydrophobicContact CD1-SD 3.83Å; Y49-M55 VanDerWaalsContact O-CB 3.25Å; Y49-M55 WeakPolarHBondContact O-CB 3.11Å; Y49-M55 PolarHBondContact O-N 3.16Å; Y49-L101 HydrophobicContact CD2-CD1 3.76Å; Y49-L101 HydrophobicContact CD2-CD2 4.42Å; Y49-L101 HydrophobicContact CE2-CD1 4.05Å; Y49-L101 HydrophobicContact CE2-CD2 3.94Å; Y49-I128 HydrophobicContact CE1-CD1 4.09Å; Y49-D166 HydrophobicContact CE2-CB 4.27Å; Y49-D166 PolarHBondContact OH-OD2 2.93Å; Y49-I172 HydrophobicContact CE1-CD1 4.02Å
50	T	98.9	Very high	98.8	Very high	47 Å²	47	41.1 Å²	41.1	29%	0.288	22%	0.219	S	C	.	.	I	π-helix	trans	-89.8	-52.7	178.8	64.4	0	0	0	0	113.3	L46 D47 F48 G54 M55 L73	L46-T50 VanDerWaalsContact O-CB 3.3Å; L46-T50 WeakPolarHBondContact O-CB 3.45Å; L46-T50 VanDerWaalsContact O-CG2 3.28Å; L46-T50 WeakPolarHBondContact O-CG2 3.49Å; L46-T50 PolarHBondContact O-N 3.25Å; L46-T50 PolarHBondContact O-OG1 3.49Å; D47-T50 PolarHBondContact O-N 3.16Å; F48-T50 VanDerWaalsContact C-N 3.27Å; F48-T50 PolarHBondContact O-N 2.97Å; T50-G54 WeakPolarHBondContact O-CA 3.46Å; T50-G54 PolarHBondContact O-N 3.18Å; T50-M55 WeakPolarHBondContact CA-O 3.33Å; T50-M55 WeakPolarHBondContact CB-O 3.18Å; T50-M55 WeakPolarHBondContact CG2-O 3.33Å; T50-L73 HydrophobicContact CG2-CD2 3.88Å
51	R	98.6	Very high	98.8	Very high	129 Å²	129	40.7 Å²	40.7	49%	0.487	22%	0.218	S	C	.	.	I	π-helix	trans	-77.7	-42.2	-175.4	-176.2	179.3	58.9	79	4.2	112.6	D47	D47-R51 WeakPolarHBondContact O-CA 3.44Å; D47-R51 WeakPolarHBondContact O-CB 3.36Å; D47-R51 PolarHBondContact O-N 2.93Å; D47-R51 WeakPolarHBondContact OD1-CD 3.43Å; D47-R51 IonicContact OD1-CZ 3.4Å; D47-R51 IonicContact OD1-NE 3.23Å; D47-R51 PolarHBondContact OD1-NE 2.79Å; D47-R51 IonicContact OD1-NH2 2.72Å; D47-R51 IonicContact OD2-CZ 3.82Å; D47-R51 IonicContact OD2-NE 3.82Å; D47-R51 PolarHBondContact OD2-NE 3.09Å; D47-R51 IonicContact OD2-NH2 3.76Å; D47-R51 PolarHBondContact OD2-NH2 3.08Å
52	I	98.6	Very high	98.8	Very high	10 Å²	10	42.7 Å²	42.7	5%	0.051	23%	0.228	C	C	.	.	I	π-helix	trans	-83.8	-48.8	-177.9	-57.4	-62.1	0	0	0	110.6	F48 F142 Q145 V147	F48-I52 HydrophobicContact CD2-CB 4.21Å; F48-I52 HydrophobicContact CD2-CG1 4.09Å; F48-I52 HydrophobicContact CD2-CG2 4.42Å; F48-I52 HydrophobicContact CE2-CB 4.44Å; F48-I52 HydrophobicContact CE2-CG2 4.16Å; F48-I52 WeakPolarHBondContact O-CA 3.36Å; F48-I52 WeakPolarHBondContact O-CB 3.47Å; F48-I52 PolarHBondContact O-N 3.12Å; I52-F142 HydrophobicContact CG2-CD1 3.68Å; I52-F142 HydrophobicContact CG2-CE1 3.79Å; I52-Q145 HydrophobicContact CD1-CB 3.67Å; I52-Q145 HydrophobicContact CD1-CG 3.99Å; I52-V147 HydrophobicContact CD1-CG2 4.43Å; I52-V147 HydrophobicContact CG2-CG2 3.73Å
53	L	98.8	Very high	98.7	Very high	13 Å²	13	45.1 Å²	45.1	7%	0.068	24%	0.237	C	C	.	.	T	Hydrogen-bonded Turn	trans	-92.5	-8.8	-176.2	-62.8	-178.9	0	0	0	114	F48 Y49 M55 Y75 F142 I164 I172	F48-L53 HydrophobicContact CD1-CD1 4.15Å; F48-L53 HydrophobicContact CD1-CG 4.5Å; F48-L53 HydrophobicContact CE1-CD1 3.54Å; F48-L53 HydrophobicContact CE1-CG 4.01Å; F48-L53 HydrophobicContact CZ-CD1 4.26Å; F48-L53 HydrophobicContact CZ-CG 4.41Å; F48-L53 PolarHBondContact O-N 2.81Å; F48-L53 VanDerWaalsContact O-N 3.12Å; Y49-L53 HydrophobicContact CD1-CD1 3.69Å; Y49-L53 HydrophobicContact CE1-CD1 3.95Å; Y49-L53 WeakPolarHBondContact O-CB 3.28Å; L53-M55 VanDerWaalsContact C-N 3.28Å; L53-M55 PolarHBondContact O-N 3.45Å; L53-Y75 WeakPolarHBondContact O-CE1 3.16Å; L53-Y75 PolarHBondContact O-OH 3.34Å; L53-Y75 VanDerWaalsContact O-OH 3.06Å; L53-F142 HydrophobicContact CD2-CE1 4.08Å; L53-F142 HydrophobicContact CD2-CZ 3.96Å; L53-I164 HydrophobicContact CD2-CD1 4.09Å; L53-I172 HydrophobicContact CD1-CD1 3.75Å
54	G	98.7	Very high	98.7	Very high	49 Å²	49	46 Å²	46	51%	0.505	24%	0.237	S	C	.	.			trans	74.8	12.5	175.5	0	0	0	0	0	114.8	Y49 T50	Y49-G54 PolarHBondContact O-N 3.49Å; T50-G54 WeakPolarHBondContact O-CA 3.46Å; T50-G54 PolarHBondContact O-N 3.18Å
55	M	98.9	Very high	98.7	Very high	8 Å²	8	45.5 Å²	45.5	4%	0.039	25%	0.25	C	C	.	.			trans	-72.1	162.1	175.3	-59.5	-174.2	178.1	0	0	111.6	Y49 T50 L53 L73 Y75 V99 I130	Y49-M55 HydrophobicContact CD1-CE 4.22Å; Y49-M55 HydrophobicContact CD1-SD 3.83Å; Y49-M55 VanDerWaalsContact O-CB 3.25Å; Y49-M55 WeakPolarHBondContact O-CB 3.11Å; Y49-M55 PolarHBondContact O-N 3.16Å; T50-M55 WeakPolarHBondContact CA-O 3.33Å; T50-M55 WeakPolarHBondContact CB-O 3.18Å; T50-M55 WeakPolarHBondContact CG2-O 3.33Å; L53-M55 VanDerWaalsContact C-N 3.28Å; L53-M55 PolarHBondContact O-N 3.45Å; M55-L73 HydrophobicContact CB-CB 4.28Å; M55-L73 HydrophobicContact CB-CD2 4.38Å; M55-L73 HydrophobicContact SD-CB 4.15Å; M55-Y75 HydrophobicContact CE-CD2 4.5Å; M55-Y75 HydrophobicContact CE-CE2 3.74Å; M55-Y75 HydrophobicContact CG-CD1 4.3Å; M55-Y75 HydrophobicContact CG-CE1 3.92Å; M55-Y75 HydrophobicContact CG-CE2 4.18Å; M55-V99 HydrophobicContact CE-CG2 4.31Å; M55-V99 HydrophobicContact SD-CG2 4.41Å; M55-I130 HydrophobicContact CE-CD1 3.7Å
56	T	98.9	Very high	98.6	Very high	12 Å²	12	50.7 Å²	50.7	7%	0.074	28%	0.276	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-108.1	132.7	174.8	-66.6	0	0	0	0	110.1	L58 L73 G74 E76 K78 I81	T56-L58 HydrophobicContact CG2-CD2 3.95Å; T56-L58 WeakPolarHBondContact O-CD2 3.48Å; T56-L58 PolarHBondContact O-N 2.72Å; T56-L73 VanDerWaalsContact O-CA 3.29Å; T56-L73 WeakPolarHBondContact O-CA 3.46Å; T56-G74 PolarHBondContact N-O 3.08Å; T56-G74 PolarHBondContact O-N 2.9Å; T56-G74 VanDerWaalsContact O-N 3.14Å; T56-E76 PolarHBondContact OG1-O 3.32Å; T56-K78 HydrophobicContact CG2-CB 4.49Å; T56-K78 HydrophobicContact CG2-CD 4.2Å; T56-K78 HydrophobicContact CG2-CG 3.33Å; T56-I81 HydrophobicContact CG2-CD1 3.7Å
57	L	98.8	Very high	98.6	Very high	68 Å²	68	57.7 Å²	57.7	36%	0.356	30%	0.299	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-68.3	110.1	164.5	175.7	63.4	0	0	0	109.2	L46 F71	L46-L57 HydrophobicContact CD2-CD1 4.1Å; L46-L57 HydrophobicContact CD2-CD2 4.38Å; L57-F71 HydrophobicContact CD1-CB 3.96Å; L57-F71 HydrophobicContact CD1-CD1 4.17Å
58	L	98.8	Very high	98.6	Very high	2 Å²	2	56.2 Å²	56.2	1%	0.01	29%	0.29	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-82.9	-49.3	-176.6	-53	-172.8	0	0	0	110.9	T56 F72 E76 I81 R88 W91 T92 R95 T98	T56-L58 HydrophobicContact CG2-CD2 3.95Å; T56-L58 WeakPolarHBondContact O-CD2 3.48Å; T56-L58 PolarHBondContact O-N 2.72Å; L58-F72 HydrophobicContact CB-CB 4.34Å; L58-F72 WeakPolarHBondContact CB-O 3.4Å; L58-F72 PolarHBondContact N-O 3.06Å; L58-E76 HydrophobicContact CD1-CG 4.19Å; L58-E76 HydrophobicContact CD2-CB 3.82Å; L58-E76 HydrophobicContact CD2-CG 3.93Å; L58-I81 HydrophobicContact CD2-CD1 4.29Å; L58-R88 WeakPolarHBondContact O-CD 3.35Å; L58-W91 HydrophobicContact CB-CZ3 4.13Å; L58-W91 HydrophobicContact CD1-CZ3 4.25Å; L58-W91 HydrophobicContact CD2-CH2 3.98Å; L58-W91 HydrophobicContact CD2-CZ3 4Å; L58-W91 HydrophobicContact CG-CZ3 4.35Å; L58-T92 HydrophobicContact CB-CG2 4Å; L58-T92 HydrophobicContact CD1-CG2 4.39Å; L58-R95 HydrophobicContact CD1-CB 4.5Å; L58-R95 HydrophobicContact CD1-CG 4.2Å; L58-T98 HydrophobicContact CD1-CG2 3.96Å
59	Q	98.4	Very high	98.6	Very high	13 Å²	13	55.7 Å²	55.7	6%	0.061	29%	0.288	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-156.3	150.7	-178.6	-163.6	151.6	-24.3	0	0	112.7	F61 F72 R88 T89 T92	Q59-F61 HydrophobicContact CB-CE2 3.86Å; Q59-F61 HydrophobicContact CB-CZ 4.19Å; Q59-F61 HydrophobicContact CG-CD2 4.17Å; Q59-F61 HydrophobicContact CG-CE1 4.08Å; Q59-F61 HydrophobicContact CG-CE2 3.56Å; Q59-F61 HydrophobicContact CG-CZ 3.51Å; Q59-F72 PolarHBondContact O-N 3.42Å; Q59-R88 PolarHBondContact OE1-O 3.23Å; Q59-R88 VanDerWaalsContact OE1-O 3.08Å; Q59-T89 PolarHBondContact NE2-OG1 2.89Å; Q59-T89 VanDerWaalsContact OE1-CA 3.3Å; Q59-T89 VanDerWaalsContact OE1-N 3.13Å; Q59-T92 HydrophobicContact CB-CG2 4.08Å; Q59-T92 PolarHBondContact OE1-OG1 3.21Å
60	K	98.6	Very high	98.6	Very high	99 Å²	99	56.5 Å²	56.5	43%	0.43	29%	0.292	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-119	133.7	173.5	178.6	178.6	-176.7	-81.1	0	109	D62 T69 L70 F71	K60-D62 IonicContact NZ-OD1 2.63Å; K60-D62 PolarHBondContact NZ-OD1 2.79Å; K60-D62 IonicContact NZ-OD2 3.93Å; K60-D62 PolarHBondContact NZ-OD2 2.81Å; K60-T69 HydrophobicContact CD-CG2 4.36Å; K60-T69 HydrophobicContact CG-CG2 3.79Å; K60-L70 CarbonylContact C-O 3.58Å; K60-L70 VanDerWaalsContact CA-O 3.31Å; K60-L70 WeakPolarHBondContact CA-O 3.47Å; K60-F71 HydrophobicContact CB-CD1 4.37Å; K60-F71 HydrophobicContact CD-CD1 4.28Å; K60-F71 HydrophobicContact CD-CE1 3.71Å; K60-F71 HydrophobicContact CD-CZ 4.5Å; K60-F71 HydrophobicContact CG-CD1 4.08Å; K60-F71 HydrophobicContact CG-CE1 3.9Å
61	F	98.5	Very high	98.6	Very high	34 Å²	34	54.9 Å²	54.9	15%	0.149	28%	0.281	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-126.7	125.8	174.7	-59.1	-87.9	0	0	0	109.8	Q59 F63 T69 L70 F72 T89 F93	Q59-F61 HydrophobicContact CB-CE2 3.86Å; Q59-F61 HydrophobicContact CB-CZ 4.19Å; Q59-F61 HydrophobicContact CG-CD2 4.17Å; Q59-F61 HydrophobicContact CG-CE1 4.08Å; Q59-F61 HydrophobicContact CG-CE2 3.56Å; Q59-F61 HydrophobicContact CG-CZ 3.51Å; F61-F63 HydrophobicContact CB-CD2 4.4Å; F61-F63 HydrophobicContact CB-CE2 3.57Å; F61-F63 HydrophobicContact CB-CZ 4.11Å; F61-T69 CarbonylContact O-C 3.52Å; F61-T69 VanDerWaalsContact O-CA 3.25Å; F61-T69 WeakPolarHBondContact O-CA 3.45Å; F61-T69 WeakPolarHBondContact O-CG2 3.29Å; F61-L70 HydrophobicContact CB-CB 4.3Å; F61-L70 HydrophobicContact CD2-CB 4.41Å; F61-L70 PolarHBondContact N-O 3.48Å; F61-L70 PolarHBondContact O-N 2.84Å; F61-F72 AromaticContact CD2-CD2 3.83Å; F61-F72 HydrophobicContact CD2-CD2 3.83Å; F61-F72 AromaticContact CD2-CE2 3.77Å; F61-F72 HydrophobicContact CD2-CE2 3.77Å; F61-F72 AromaticContact CE2-CD2 3.68Å; F61-F72 HydrophobicContact CE2-CD2 3.68Å; F61-F72 AromaticContact CE2-CE2 3.74Å; F61-F72 HydrophobicContact CE2-CE2 3.74Å; F61-T89 HydrophobicContact CE1-CG2 4.03Å; F61-T89 HydrophobicContact CZ-CG2 4.02Å; F61-F93 HydrophobicContact CE1-CE2 4.42Å; F61-F93 AromaticContact CE2-CE2 3.84Å; F61-F93 HydrophobicContact CE2-CE2 3.84Å; F61-F93 HydrophobicContact CE2-CZ 4.17Å; F61-F93 HydrophobicContact CZ-CD2 4.43Å; F61-F93 AromaticContact CZ-CE2 3.58Å; F61-F93 HydrophobicContact CZ-CE2 3.58Å; F61-F93 HydrophobicContact CZ-CZ 4.33Å
62	D	98.6	Very high	98.6	Very high	78 Å²	78	48.8 Å²	48.8	42%	0.417	26%	0.258	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-103	137.1	174.4	-61.2	-58.9	0	0	0	110.4	K60 P64 T69 W105	K60-D62 IonicContact NZ-OD1 2.63Å; K60-D62 PolarHBondContact NZ-OD1 2.79Å; K60-D62 IonicContact NZ-OD2 3.93Å; K60-D62 PolarHBondContact NZ-OD2 2.81Å; D62-P64 WeakPolarHBondContact O-CD 3.26Å; D62-T69 VanDerWaalsContact OD1-CG2 3.26Å; D62-T69 WeakPolarHBondContact OD1-CG2 3.36Å; D62-T69 PolarHBondContact OD1-OG1 3.2Å; D62-W105 HydrophobicContact CB-CZ2 4.43Å
63	F	98.3	Very high	98.6	Very high	68 Å²	68	48.3 Å²	48.3	30%	0.298	26%	0.256	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-123.1	78.2	175.7	-63.1	-91.7	0	0	0	110.1	F61 S65 M66 R67 F68 L70	F61-F63 HydrophobicContact CB-CD2 4.4Å; F61-F63 HydrophobicContact CB-CE2 3.57Å; F61-F63 HydrophobicContact CB-CZ 4.11Å; F63-S65 VanDerWaalsContact C-N 3.32Å; F63-S65 PolarHBondContact O-N 3.12Å; F63-M66 HydrophobicContact CB-CB 4.28Å; F63-M66 HydrophobicContact CB-CE 3.72Å; F63-M66 HydrophobicContact CD1-CE 3.44Å; F63-M66 VanDerWaalsContact CD1-CE 3.44Å; F63-M66 HydrophobicContact CE1-CE 4.27Å; F63-M66 HydrophobicContact CG-CE 3.78Å; F63-M66 CarbonylContact O-C 3.47Å; F63-M66 PolarHBondContact O-N 3.02Å; F63-R67 PolarHBondContact O-N 2.81Å; F63-F68 HydrophobicContact CB-CD1 4.24Å; F63-F68 HydrophobicContact CB-CD2 4.39Å; F63-F68 HydrophobicContact CB-CE1 3.95Å; F63-F68 HydrophobicContact CB-CE2 4.09Å; F63-F68 HydrophobicContact CB-CG 4.45Å; F63-F68 HydrophobicContact CB-CZ 3.85Å; F63-F68 HydrophobicContact CD1-CZ 4.28Å; F63-F68 AromaticContact CD2-CD2 3.8Å; F63-F68 HydrophobicContact CD2-CD2 3.8Å; F63-F68 HydrophobicContact CD2-CE1 4.48Å; F63-F68 AromaticContact CD2-CE2 3.18Å; F63-F68 HydrophobicContact CD2-CE2 3.18Å; F63-F68 AromaticContact CD2-CZ 3.59Å; F63-F68 HydrophobicContact CD2-CZ 3.59Å; F63-F68 AromaticContact CE2-CE2 3.68Å; F63-F68 HydrophobicContact CE2-CE2 3.68Å; F63-F68 HydrophobicContact CE2-CZ 4.16Å; F63-F68 HydrophobicContact CG-CD2 4.41Å; F63-F68 HydrophobicContact CG-CE1 4.24Å; F63-F68 AromaticContact CG-CE2 3.74Å; F63-F68 HydrophobicContact CG-CE2 3.74Å; F63-F68 AromaticContact CG-CZ 3.64Å; F63-F68 HydrophobicContact CG-CZ 3.64Å; F63-F68 PolarHBondContact N-O 2.87Å; F63-L70 HydrophobicContact CD2-CG 4.45Å; F63-L70 HydrophobicContact CE2-CD1 3.73Å; F63-L70 HydrophobicContact CE2-CG 3.94Å; F63-L70 HydrophobicContact CZ-CD1 4.37Å
64	P	98.3	Very high	98.6	Very high	86 Å²	86	47.9 Å²	47.9	56%	0.558	25%	0.254	S	S	*	.	T	Hydrogen-bonded Turn	trans	-60.7	-35.3	-170.5	-25.2	34.4	0	0	0	114.9	D62 M66 R67 W105	D62-P64 WeakPolarHBondContact O-CD 3.26Å; P64-M66 PolarHBondContact O-N 3.46Å; P64-R67 PolarHBondContact O-N 3.26Å; P64-W105 HydrophobicContact CB-CH2 3.89Å; P64-W105 HydrophobicContact CB-CZ3 4.33Å; P64-W105 HydrophobicContact CG-CH2 4.08Å
65	S	98.2	Very high	98.6	Very high	117 Å²	117	51.5 Å²	51.5	82%	0.818	25%	0.253	S	S	*	.	T	Hydrogen-bonded Turn	trans	-65.8	-26.3	177	56.3	0	0	0	0	112.9	F63	F63-S65 VanDerWaalsContact C-N 3.32Å; F63-S65 PolarHBondContact O-N 3.12Å
66	M	97.7	Very high	98.6	Very high	110 Å²	110	53.3 Å²	53.3	54%	0.542	26%	0.262	S	S	.	.	T	Hydrogen-bonded Turn	trans	-105.5	-4.6	-179.7	-60.4	-172.8	-73	0	0	113	F63 P64 F68	F63-M66 HydrophobicContact CB-CB 4.28Å; F63-M66 HydrophobicContact CB-CE 3.72Å; F63-M66 HydrophobicContact CD1-CE 3.44Å; F63-M66 VanDerWaalsContact CD1-CE 3.44Å; F63-M66 HydrophobicContact CE1-CE 4.27Å; F63-M66 HydrophobicContact CG-CE 3.78Å; F63-M66 CarbonylContact O-C 3.47Å; F63-M66 PolarHBondContact O-N 3.02Å; P64-M66 PolarHBondContact O-N 3.46Å; M66-F68 HydrophobicContact CB-CD1 3.56Å; M66-F68 HydrophobicContact CB-CE1 3.41Å; M66-F68 VanDerWaalsContact CB-CE1 3.41Å; M66-F68 HydrophobicContact CE-CE1 3.51Å; M66-F68 HydrophobicContact CE-CZ 3.64Å; M66-F68 HydrophobicContact CG-CE1 4.19Å; M66-F68 PolarHBondContact O-N 3.3Å; M66-F68 HydrophobicContact SD-CE1 3.82Å; M66-F68 HydrophobicContact SD-CZ 4.44Å
67	R	98.3	Very high	98.5	Very high	182 Å²	182	56.4 Å²	56.4	69%	0.687	28%	0.278	S	S	*	.	T	Hydrogen-bonded Turn	trans	55.3	46.9	177.4	-58	-176.9	178.8	164.4	-0.6	114.1	F63 P64 W105	F63-R67 PolarHBondContact O-N 2.81Å; P64-R67 PolarHBondContact O-N 3.26Å; R67-W105 HydrophobicContact CB-CB 4.39Å; R67-W105 HydrophobicContact CB-CD2 4.27Å; R67-W105 HydrophobicContact CB-CE3 4.03Å; R67-W105 HydrophobicContact CB-CG 4.44Å; R67-W105 HydrophobicContact CG-CE3 4.23Å; R67-W105 PolarHBondContact O-N 2.94Å
68	F	98.6	Very high	98.4	Very high	39 Å²	39	59.9 Å²	59.9	17%	0.171	29%	0.29	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-141.3	160.4	168.6	71.6	-95.3	0	0	0	112.4	F63 M66 L70 T102 H103 W105	F63-F68 HydrophobicContact CB-CD1 4.24Å; F63-F68 HydrophobicContact CB-CD2 4.39Å; F63-F68 HydrophobicContact CB-CE1 3.95Å; F63-F68 HydrophobicContact CB-CE2 4.09Å; F63-F68 HydrophobicContact CB-CG 4.45Å; F63-F68 HydrophobicContact CB-CZ 3.85Å; F63-F68 HydrophobicContact CD1-CZ 4.28Å; F63-F68 AromaticContact CD2-CD2 3.8Å; F63-F68 HydrophobicContact CD2-CD2 3.8Å; F63-F68 HydrophobicContact CD2-CE1 4.48Å; F63-F68 AromaticContact CD2-CE2 3.18Å; F63-F68 HydrophobicContact CD2-CE2 3.18Å; F63-F68 AromaticContact CD2-CZ 3.59Å; F63-F68 HydrophobicContact CD2-CZ 3.59Å; F63-F68 AromaticContact CE2-CE2 3.68Å; F63-F68 HydrophobicContact CE2-CE2 3.68Å; F63-F68 HydrophobicContact CE2-CZ 4.16Å; F63-F68 HydrophobicContact CG-CD2 4.41Å; F63-F68 HydrophobicContact CG-CE1 4.24Å; F63-F68 AromaticContact CG-CE2 3.74Å; F63-F68 HydrophobicContact CG-CE2 3.74Å; F63-F68 AromaticContact CG-CZ 3.64Å; F63-F68 HydrophobicContact CG-CZ 3.64Å; F63-F68 PolarHBondContact N-O 2.87Å; M66-F68 HydrophobicContact CB-CD1 3.56Å; M66-F68 HydrophobicContact CB-CE1 3.41Å; M66-F68 VanDerWaalsContact CB-CE1 3.41Å; M66-F68 HydrophobicContact CE-CE1 3.51Å; M66-F68 HydrophobicContact CE-CZ 3.64Å; M66-F68 HydrophobicContact CG-CE1 4.19Å; M66-F68 PolarHBondContact O-N 3.3Å; M66-F68 HydrophobicContact SD-CE1 3.82Å; M66-F68 HydrophobicContact SD-CZ 4.44Å; F68-L70 HydrophobicContact CD2-CD2 3.69Å; F68-L70 HydrophobicContact CD2-CG 4.04Å; F68-L70 HydrophobicContact CE2-CD1 4.13Å; F68-L70 HydrophobicContact CE2-CD2 3.66Å; F68-L70 HydrophobicContact CE2-CG 3.76Å; F68-T102 HydrophobicContact CD2-CG2 4.35Å; F68-H103 CarbonylContact C-O 3.53Å; F68-H103 WeakPolarHBondContact CA-O 3.43Å; F68-H103 VanDerWaalsContact CB-O 3.26Å; F68-H103 WeakPolarHBondContact CB-O 3.42Å; F68-W105 VanDerWaalsContact C-NE1 3.28Å
69	T	98.9	Very high	98.4	Very high	6 Å²	6	68.6 Å²	68.6	4%	0.037	33%	0.328	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-125.5	141.4	173.3	-63.1	0	0	0	0	109.5	K60 F61 D62 F71 H103 W105	K60-T69 HydrophobicContact CD-CG2 4.36Å; K60-T69 HydrophobicContact CG-CG2 3.79Å; F61-T69 CarbonylContact O-C 3.52Å; F61-T69 VanDerWaalsContact O-CA 3.25Å; F61-T69 WeakPolarHBondContact O-CA 3.45Å; F61-T69 WeakPolarHBondContact O-CG2 3.29Å; D62-T69 VanDerWaalsContact OD1-CG2 3.26Å; D62-T69 WeakPolarHBondContact OD1-CG2 3.36Å; D62-T69 PolarHBondContact OD1-OG1 3.2Å; T69-F71 HydrophobicContact CG2-CD1 4.45Å; T69-F71 HydrophobicContact CG2-CD2 4.03Å; T69-F71 HydrophobicContact CG2-CE1 3.94Å; T69-F71 HydrophobicContact CG2-CE2 3.44Å; T69-F71 VanDerWaalsContact CG2-CE2 3.44Å; T69-F71 HydrophobicContact CG2-CZ 3.4Å; T69-H103 PolarHBondContact N-O 2.87Å; T69-H103 PolarHBondContact O-N 3.44Å; T69-W105 PolarHBondContact OG1-NE1 3.1Å
70	L	98.9	Very high	98.4	Very high	16 Å²	16	73.3 Å²	73.3	8%	0.084	35%	0.35	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-106.7	135.5	171.4	-52.2	-179.8	0	0	0	109.8	K60 F61 F63 F68 F72 E100 L101 T102	K60-L70 CarbonylContact C-O 3.58Å; K60-L70 VanDerWaalsContact CA-O 3.31Å; K60-L70 WeakPolarHBondContact CA-O 3.47Å; F61-L70 HydrophobicContact CB-CB 4.3Å; F61-L70 HydrophobicContact CD2-CB 4.41Å; F61-L70 PolarHBondContact N-O 3.48Å; F61-L70 PolarHBondContact O-N 2.84Å; F63-L70 HydrophobicContact CD2-CG 4.45Å; F63-L70 HydrophobicContact CE2-CD1 3.73Å; F63-L70 HydrophobicContact CE2-CG 3.94Å; F63-L70 HydrophobicContact CZ-CD1 4.37Å; F68-L70 HydrophobicContact CD2-CD2 3.69Å; F68-L70 HydrophobicContact CD2-CG 4.04Å; F68-L70 HydrophobicContact CE2-CD1 4.13Å; F68-L70 HydrophobicContact CE2-CD2 3.66Å; F68-L70 HydrophobicContact CE2-CG 3.76Å; L70-F72 HydrophobicContact CB-CD2 4.4Å; L70-F72 HydrophobicContact CB-CE2 3.92Å; L70-F72 HydrophobicContact CD1-CE2 4.16Å; L70-E100 WeakPolarHBondContact CD1-OE1 3.36Å; L70-E100 HydrophobicContact CD2-CG 4.38Å; L70-E100 WeakPolarHBondContact CD2-OE1 3.39Å; L70-L101 CarbonylContact C-O 3.52Å; L70-L101 WeakPolarHBondContact CA-O 3.3Å; L70-T102 HydrophobicContact CD2-CG2 3.86Å; L70-T102 VanDerWaalsContact CD2-OG1 3.31Å; L70-T102 WeakPolarHBondContact CD2-OG1 3.18Å
71	F	98.9	Very high	98.4	Very high	14 Å²	14	70 Å²	70	6%	0.061	34%	0.337	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-121.2	117.2	171.8	-54.9	-93	0	0	0	108.7	P42 L46 L57 K60 T69 L73 L101 H103	P42-F71 HydrophobicContact CB-CD2 4.27Å; P42-F71 HydrophobicContact CB-CE2 3.53Å; P42-F71 HydrophobicContact CB-CZ 3.82Å; P42-F71 HydrophobicContact CG-CE2 4.29Å; P42-F71 HydrophobicContact CG-CZ 4.38Å; L46-F71 HydrophobicContact CD1-CD1 3.9Å; L46-F71 HydrophobicContact CD1-CE1 3.81Å; L46-F71 HydrophobicContact CD1-CZ 4.41Å; L46-F71 HydrophobicContact CD2-CB 4.19Å; L46-F71 HydrophobicContact CD2-CD1 4.07Å; L46-F71 HydrophobicContact CD2-CG 4.27Å; L46-F71 HydrophobicContact CG-CD1 4.43Å; L57-F71 HydrophobicContact CD1-CB 3.96Å; L57-F71 HydrophobicContact CD1-CD1 4.17Å; K60-F71 HydrophobicContact CB-CD1 4.37Å; K60-F71 HydrophobicContact CD-CD1 4.28Å; K60-F71 HydrophobicContact CD-CE1 3.71Å; K60-F71 HydrophobicContact CD-CZ 4.5Å; K60-F71 HydrophobicContact CG-CD1 4.08Å; K60-F71 HydrophobicContact CG-CE1 3.9Å; T69-F71 HydrophobicContact CG2-CD1 4.45Å; T69-F71 HydrophobicContact CG2-CD2 4.03Å; T69-F71 HydrophobicContact CG2-CE1 3.94Å; T69-F71 HydrophobicContact CG2-CE2 3.44Å; T69-F71 VanDerWaalsContact CG2-CE2 3.44Å; T69-F71 HydrophobicContact CG2-CZ 3.4Å; F71-L73 HydrophobicContact CB-CD1 4.15Å; F71-L101 HydrophobicContact CB-CB 4.27Å; F71-L101 PolarHBondContact N-O 3Å; F71-L101 PolarHBondContact O-N 3.15Å; F71-H103 HydrophobicContact CE2-CB 3.91Å
72	F	98.9	Very high	98.4	Very high	1 Å²	1	69.7 Å²	69.7	0%	0.004	34%	0.338	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-95	123.9	177.3	-77.2	-97.9	0	0	0	109.8	Q34 L58 Q59 F61 L70 T92 F93 E100	Q34-F72 VanDerWaalsContact OE1-CE1 3.31Å; L58-F72 HydrophobicContact CB-CB 4.34Å; L58-F72 WeakPolarHBondContact CB-O 3.4Å; L58-F72 PolarHBondContact N-O 3.06Å; Q59-F72 PolarHBondContact O-N 3.42Å; F61-F72 AromaticContact CD2-CD2 3.83Å; F61-F72 HydrophobicContact CD2-CD2 3.83Å; F61-F72 AromaticContact CD2-CE2 3.77Å; F61-F72 HydrophobicContact CD2-CE2 3.77Å; F61-F72 AromaticContact CE2-CD2 3.68Å; F61-F72 HydrophobicContact CE2-CD2 3.68Å; F61-F72 AromaticContact CE2-CE2 3.74Å; F61-F72 HydrophobicContact CE2-CE2 3.74Å; L70-F72 HydrophobicContact CB-CD2 4.4Å; L70-F72 HydrophobicContact CB-CE2 3.92Å; L70-F72 HydrophobicContact CD1-CE2 4.16Å; F72-T92 HydrophobicContact CB-CG2 3.69Å; F72-T92 HydrophobicContact CD1-CG2 4.11Å; F72-T92 HydrophobicContact CG-CG2 3.89Å; F72-F93 HydrophobicContact CE1-CD1 4.36Å; F72-F93 AromaticContact CE1-CE1 3.74Å; F72-F93 HydrophobicContact CE1-CE1 3.74Å; F72-F93 HydrophobicContact CE1-CZ 4.17Å; F72-F93 HydrophobicContact CE2-CE1 4.27Å; F72-F93 AromaticContact CE2-CZ 3.89Å; F72-F93 HydrophobicContact CE2-CZ 3.89Å; F72-F93 HydrophobicContact CZ-CD1 4.46Å; F72-F93 AromaticContact CZ-CE1 3.45Å; F72-F93 HydrophobicContact CZ-CE1 3.45Å; F72-F93 VanDerWaalsContact CZ-CE1 3.45Å; F72-F93 AromaticContact CZ-CZ 3.52Å; F72-F93 HydrophobicContact CZ-CZ 3.52Å; F72-E100 HydrophobicContact CD1-CB 4.31Å; F72-E100 HydrophobicContact CE1-CB 3.92Å; F72-E100 HydrophobicContact CE1-CG 4.05Å; F72-E100 HydrophobicContact CE2-CG 4.01Å; F72-E100 HydrophobicContact CZ-CB 4.11Å; F72-E100 HydrophobicContact CZ-CG 3.69Å
73	L	98.9	Very high	98.3	Very high	0 Å²	0	70.3 Å²	70.3	0%	0	35%	0.354	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-120.3	150.2	177.3	-63.8	97.5	0	0	0	111.5	L46 T50 M55 T56 F71 T98 V99 L101	L46-L73 HydrophobicContact CD2-CD1 4.29Å; L46-L73 HydrophobicContact CD2-CD2 4.26Å; T50-L73 HydrophobicContact CG2-CD2 3.88Å; M55-L73 HydrophobicContact CB-CB 4.28Å; M55-L73 HydrophobicContact CB-CD2 4.38Å; M55-L73 HydrophobicContact SD-CB 4.15Å; T56-L73 VanDerWaalsContact O-CA 3.29Å; T56-L73 WeakPolarHBondContact O-CA 3.46Å; F71-L73 HydrophobicContact CB-CD1 4.15Å; L73-T98 CarbonylContact O-C 3.56Å; L73-T98 VanDerWaalsContact O-CA 3.24Å; L73-T98 WeakPolarHBondContact O-CA 3.49Å; L73-T98 WeakPolarHBondContact O-CB 3.28Å; L73-V99 PolarHBondContact N-O 2.97Å; L73-V99 PolarHBondContact O-N 3.19Å; L73-L101 HydrophobicContact CD1-CD1 3.52Å; L73-L101 HydrophobicContact CD1-CG 3.71Å
74	G	98.6	Very high	98.3	Very high	3 Å²	3	70.8 Å²	70.8	3%	0.031	36%	0.36	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-168.1	170.1	174.9	0	0	0	0	0	112.4	T56 E76	T56-G74 PolarHBondContact N-O 3.08Å; T56-G74 PolarHBondContact O-N 2.9Å; T56-G74 VanDerWaalsContact O-N 3.14Å; G74-E76 VanDerWaalsContact C-N 3.32Å; G74-E76 PolarHBondContact O-N 3.37Å; G74-E76 VanDerWaalsContact O-N 3.15Å
75	Y	98.7	Very high	98.2	Very high	125 Å²	125	71.4 Å²	71.4	49%	0.49	36%	0.362	S	S	.	.	S	Bend	trans	-85.3	73.3	174.2	-69.2	-71.2	0	0	0	110.9	L53 M55 I130	L53-Y75 WeakPolarHBondContact O-CE1 3.16Å; L53-Y75 PolarHBondContact O-OH 3.34Å; L53-Y75 VanDerWaalsContact O-OH 3.06Å; M55-Y75 HydrophobicContact CE-CD2 4.5Å; M55-Y75 HydrophobicContact CE-CE2 3.74Å; M55-Y75 HydrophobicContact CG-CD1 4.3Å; M55-Y75 HydrophobicContact CG-CE1 3.92Å; M55-Y75 HydrophobicContact CG-CE2 4.18Å; Y75-I130 HydrophobicContact CE2-CD1 3.98Å; Y75-I130 HydrophobicContact CE2-CG2 4.32Å; Y75-I130 WeakPolarHBondContact OH-CG2 3.3Å
76	E	98.6	Very high	98.2	Very high	47 Å²	47	74.2 Å²	74.2	22%	0.22	36%	0.359	C	S	.	.			trans	-123.2	152.4	179.9	-58	-74.1	158.1	0	0	110.5	T56 L58 G74 K78 W91 R95	T56-E76 PolarHBondContact OG1-O 3.32Å; L58-E76 HydrophobicContact CD1-CG 4.19Å; L58-E76 HydrophobicContact CD2-CB 3.82Å; L58-E76 HydrophobicContact CD2-CG 3.93Å; G74-E76 VanDerWaalsContact C-N 3.32Å; G74-E76 PolarHBondContact O-N 3.37Å; G74-E76 VanDerWaalsContact O-N 3.15Å; E76-K78 PolarHBondContact O-N 2.84Å; E76-W91 HydrophobicContact CB-CH2 3.84Å; E76-W91 HydrophobicContact CB-CZ2 4.28Å; E76-W91 HydrophobicContact CG-CH2 3.91Å; E76-W91 HydrophobicContact CG-CZ2 4.32Å; E76-R95 VanDerWaalsContact CD-CD 3.41Å; E76-R95 HydrophobicContact CG-CG 4.22Å; E76-R95 VanDerWaalsContact OE1-CD 3.31Å; E76-R95 WeakPolarHBondContact OE1-CD 3.4Å; E76-R95 WeakPolarHBondContact OE2-CD 3.48Å; E76-R95 IonicContact OE2-NH1 2.73Å
77	D	98	Very high	98.2	Very high	76 Å²	76	74.8 Å²	74.8	41%	0.406	36%	0.36	S	S	.	.			trans	-72.6	124.5	172.2	-172.7	-16.2	0	0	0	109.8	K79 E80	D77-K79 PolarHBondContact O-N 2.88Å; D77-K79 WeakPolarHBondContact OD1-CB 3.43Å; D77-K79 WeakPolarHBondContact OD1-CG 3.49Å; D77-K79 PolarHBondContact OD1-N 3.17Å; D77-E80 HydrophobicContact CB-CG 4.18Å; D77-E80 WeakPolarHBondContact O-CB 3.22Å; D77-E80 PolarHBondContact O-N 3.42Å
78	K	96.8	Very high	98.2	Very high	142 Å²	142	69.8 Å²	69.8	62%	0.617	34%	0.342	S	S	*	.	G	3₁₀ helix	trans	-52.6	-29.1	175.6	-74.5	175.2	-178.4	175.2	0	113.1	T56 E76 E80 I81	T56-K78 HydrophobicContact CG2-CB 4.49Å; T56-K78 HydrophobicContact CG2-CD 4.2Å; T56-K78 HydrophobicContact CG2-CG 3.33Å; E76-K78 PolarHBondContact O-N 2.84Å; K78-E80 VanDerWaalsContact C-N 3.28Å; K78-E80 PolarHBondContact O-N 2.93Å; K78-I81 PolarHBondContact O-N 3.13Å
79	K	97.8	Very high	98.2	Very high	184 Å²	184	69.9 Å²	69.9	80%	0.8	35%	0.346	S	S	*	.	G	3₁₀ helix	trans	-70.8	-22.9	179.2	-63	171.4	-172.1	165.8	0	113.2	D77 I81	D77-K79 PolarHBondContact O-N 2.88Å; D77-K79 WeakPolarHBondContact OD1-CB 3.43Å; D77-K79 WeakPolarHBondContact OD1-CG 3.49Å; D77-K79 PolarHBondContact OD1-N 3.17Å; K79-I81 VanDerWaalsContact C-N 3.34Å
80	E	97.8	Very high	98.2	Very high	113 Å²	113	72.9 Å²	72.9	53%	0.528	37%	0.371	S	S	.	.	G	3₁₀ helix	trans	-84.4	-12.6	179.1	-63.9	-170.8	148.4	0	0	112.7	D77 K78 P82 W91	D77-E80 HydrophobicContact CB-CG 4.18Å; D77-E80 WeakPolarHBondContact O-CB 3.22Å; D77-E80 PolarHBondContact O-N 3.42Å; K78-E80 VanDerWaalsContact C-N 3.28Å; K78-E80 PolarHBondContact O-N 2.93Å; E80-P82 WeakPolarHBondContact O-CD 3.37Å; E80-W91 HydrophobicContact CB-CZ2 4.24Å
81	I	98.5	Very high	98.2	Very high	29 Å²	29	73.7 Å²	73.7	15%	0.149	37%	0.373	C	S	.	.	S	Bend	trans	-68.2	116.3	180	-57.7	178.9	0	0	0	109.3	T56 L58 K78 K79 R88 W91	T56-I81 HydrophobicContact CG2-CD1 3.7Å; L58-I81 HydrophobicContact CD2-CD1 4.29Å; K78-I81 PolarHBondContact O-N 3.13Å; K79-I81 VanDerWaalsContact C-N 3.34Å; I81-R88 HydrophobicContact CG2-CG 3.69Å; I81-W91 HydrophobicContact CG1-CH2 3.79Å; I81-W91 HydrophobicContact CG1-CZ3 3.92Å
82	P	98.5	Very high	98.2	Very high	27 Å²	27	73 Å²	73	18%	0.175	37%	0.37	C	S	.	.			trans	-60.6	141.7	-179.6	-24.7	35.1	0	0	0	112.5	E80 E87 R88 W91	E80-P82 WeakPolarHBondContact O-CD 3.37Å; P82-E87 HydrophobicContact CB-CB 3.83Å; P82-E87 HydrophobicContact CG-CB 4.35Å; P82-R88 HydrophobicContact CB-CB 4.28Å; P82-R88 VanDerWaalsContact O-CZ 3.29Å; P82-R88 PolarHBondContact O-NE 3.43Å; P82-R88 PolarHBondContact O-NH2 3.1Å; P82-W91 HydrophobicContact CG-CB 3.92Å; P82-W91 HydrophobicContact CG-CG 4Å
83	A	97.3	Very high	98.1	Very high	92 Å²	92	77 Å²	77	76%	0.76	39%	0.388	S	S	*	.	S	Bend	trans	-71.1	-36.3	176.7	0	0	0	0	0	112
84	N	98.1	Very high	98.1	Very high	77 Å²	77	79.4 Å²	79.4	41%	0.412	40%	0.404	S	S	.	.	S	Bend	trans	-71.5	129.6	177.8	-176.9	-69.2	0	0	0	110.8	K86 E87 R88	N84-K86 PolarHBondContact O-N 3.03Å; N84-K86 WeakPolarHBondContact OD1-CB 3.45Å; N84-K86 PolarHBondContact OD1-N 2.88Å; N84-E87 HydrophobicContact CB-CB 4.11Å; N84-E87 HydrophobicContact CB-CG 4.04Å; N84-E87 PolarHBondContact O-N 3.43Å; N84-E87 PolarHBondContact OD1-N 3.17Å; N84-R88 WeakPolarHBondContact O-CB 3.26Å; N84-R88 PolarHBondContact O-N 3.2Å
85	V	96.4	Very high	98.1	Very high	100 Å²	100	82.2 Å²	82.2	61%	0.606	41%	0.414	S	S	*	.	H	α-helix	trans	-62.8	-37.7	-175.7	175.7	0	0	0	0	113.1	T89	V85-T89 WeakPolarHBondContact O-CB 3.25Å; V85-T89 PolarHBondContact O-N 3.37Å; V85-T89 PolarHBondContact O-OG1 3.36Å
86	K	97.3	Very high	98.1	Very high	176 Å²	176	85 Å²	85	77%	0.765	42%	0.423	S	S	*	.	H	α-helix	trans	-69.4	-44	-179.9	-66.7	-175.9	177.8	-178.7	0	110.9	N84 T89 A90	N84-K86 PolarHBondContact O-N 3.03Å; N84-K86 WeakPolarHBondContact OD1-CB 3.45Å; N84-K86 PolarHBondContact OD1-N 2.88Å; K86-T89 WeakPolarHBondContact O-CB 3.41Å; K86-T89 PolarHBondContact O-N 2.9Å; K86-A90 PolarHBondContact O-N 2.83Å; K86-A90 VanDerWaalsContact O-N 3.16Å
87	E	98.4	Very high	98.1	Very high	121 Å²	121	86.6 Å²	86.6	57%	0.565	44%	0.444	S	S	*	.	H	α-helix	trans	-63.5	-44.8	175.6	-66.1	170.4	-169.2	0	0	111	P82 N84 T89 A90 W91	P82-E87 HydrophobicContact CB-CB 3.83Å; P82-E87 HydrophobicContact CG-CB 4.35Å; N84-E87 HydrophobicContact CB-CB 4.11Å; N84-E87 HydrophobicContact CB-CG 4.04Å; N84-E87 PolarHBondContact O-N 3.43Å; N84-E87 PolarHBondContact OD1-N 3.17Å; E87-T89 VanDerWaalsContact C-N 3.28Å; E87-T89 PolarHBondContact O-N 2.99Å; E87-A90 PolarHBondContact O-N 2.96Å; E87-W91 VanDerWaalsContact O-CB 3.24Å; E87-W91 WeakPolarHBondContact O-CB 3.43Å; E87-W91 PolarHBondContact O-N 3.5Å
88	R	98.6	Very high	98.2	Very high	77 Å²	77	83 Å²	83	29%	0.291	43%	0.426	S	S	.	.	H	α-helix	trans	-60.6	-38.1	176.2	-166.3	-170.5	-63.2	-164.8	-6.8	112.2	L58 Q59 I81 P82 N84 W91 T92	L58-R88 WeakPolarHBondContact O-CD 3.35Å; Q59-R88 PolarHBondContact OE1-O 3.23Å; Q59-R88 VanDerWaalsContact OE1-O 3.08Å; I81-R88 HydrophobicContact CG2-CG 3.69Å; P82-R88 HydrophobicContact CB-CB 4.28Å; P82-R88 VanDerWaalsContact O-CZ 3.29Å; P82-R88 PolarHBondContact O-NE 3.43Å; P82-R88 PolarHBondContact O-NH2 3.1Å; N84-R88 WeakPolarHBondContact O-CB 3.26Å; N84-R88 PolarHBondContact O-N 3.2Å; R88-W91 PolarHBondContact O-N 2.69Å; R88-T92 VanDerWaalsContact O-CB 3.31Å; R88-T92 WeakPolarHBondContact O-CB 3.47Å; R88-T92 PolarHBondContact O-N 3.19Å; R88-T92 PolarHBondContact O-OG1 2.8Å
89	T	98.5	Very high	98.3	Very high	42 Å²	42	76.7 Å²	76.7	26%	0.258	40%	0.399	S	S	.	.	H	α-helix	trans	-62.1	-53.4	177.6	-57.6	0	0	0	0	110.3	Q59 F61 V85 K86 E87 W91 T92 F93	Q59-T89 PolarHBondContact NE2-OG1 2.89Å; Q59-T89 VanDerWaalsContact OE1-CA 3.3Å; Q59-T89 VanDerWaalsContact OE1-N 3.13Å; F61-T89 HydrophobicContact CE1-CG2 4.03Å; F61-T89 HydrophobicContact CZ-CG2 4.02Å; V85-T89 WeakPolarHBondContact O-CB 3.25Å; V85-T89 PolarHBondContact O-N 3.37Å; V85-T89 PolarHBondContact O-OG1 3.36Å; K86-T89 WeakPolarHBondContact O-CB 3.41Å; K86-T89 PolarHBondContact O-N 2.9Å; E87-T89 VanDerWaalsContact C-N 3.28Å; E87-T89 PolarHBondContact O-N 2.99Å; T89-W91 VanDerWaalsContact C-N 3.29Å; T89-W91 PolarHBondContact O-N 3.29Å; T89-T92 PolarHBondContact O-N 3.14Å; T89-F93 HydrophobicContact CG2-CD2 3.95Å; T89-F93 HydrophobicContact CG2-CE2 4.11Å; T89-F93 WeakPolarHBondContact O-CD2 3.46Å; T89-F93 PolarHBondContact O-N 3.06Å; T89-F93 VanDerWaalsContact O-N 3.1Å
90	A	98.5	Very high	98.3	Very high	68 Å²	68	69.1 Å²	69.1	56%	0.562	37%	0.366	S	S	*	.	H	α-helix	trans	-60.5	-41.1	177.1	0	0	0	0	0	111.7	K86 E87 S94	K86-A90 PolarHBondContact O-N 2.83Å; K86-A90 VanDerWaalsContact O-N 3.16Å; E87-A90 PolarHBondContact O-N 2.96Å; A90-S94 WeakPolarHBondContact O-CB 3.43Å; A90-S94 PolarHBondContact O-N 2.86Å; A90-S94 VanDerWaalsContact O-N 3.17Å; A90-S94 PolarHBondContact O-OG 3.27Å
91	W	98.8	Very high	98.4	Very high	33 Å²	33	63.8 Å²	63.8	13%	0.125	34%	0.341	C	S	.	.	H	α-helix	trans	-61.3	-49.4	177.1	178.5	90.9	0	0	0	111.9	L58 E76 E80 I81 P82 E87 R88 T89 F93 S94 R95	L58-W91 HydrophobicContact CB-CZ3 4.13Å; L58-W91 HydrophobicContact CD1-CZ3 4.25Å; L58-W91 HydrophobicContact CD2-CH2 3.98Å; L58-W91 HydrophobicContact CD2-CZ3 4Å; L58-W91 HydrophobicContact CG-CZ3 4.35Å; E76-W91 HydrophobicContact CB-CH2 3.84Å; E76-W91 HydrophobicContact CB-CZ2 4.28Å; E76-W91 HydrophobicContact CG-CH2 3.91Å; E76-W91 HydrophobicContact CG-CZ2 4.32Å; E80-W91 HydrophobicContact CB-CZ2 4.24Å; I81-W91 HydrophobicContact CG1-CH2 3.79Å; I81-W91 HydrophobicContact CG1-CZ3 3.92Å; P82-W91 HydrophobicContact CG-CB 3.92Å; P82-W91 HydrophobicContact CG-CG 4Å; E87-W91 VanDerWaalsContact O-CB 3.24Å; E87-W91 WeakPolarHBondContact O-CB 3.43Å; E87-W91 PolarHBondContact O-N 3.5Å; R88-W91 PolarHBondContact O-N 2.69Å; T89-W91 VanDerWaalsContact C-N 3.29Å; T89-W91 PolarHBondContact O-N 3.29Å; W91-F93 PolarHBondContact O-N 3.47Å; W91-S94 CarbonylContact O-C 3.59Å; W91-S94 WeakPolarHBondContact O-CA 3.39Å; W91-S94 PolarHBondContact O-N 3.11Å; W91-S94 PolarHBondContact O-OG 3.41Å; W91-R95 HydrophobicContact CD2-CG 4.39Å; W91-R95 HydrophobicContact CE3-CG 4.28Å; W91-R95 HydrophobicContact CH2-CG 4.12Å; W91-R95 HydrophobicContact CZ2-CG 4.25Å; W91-R95 HydrophobicContact CZ3-CG 4.15Å; W91-R95 PolarHBondContact O-N 3.49Å; W91-R95 PolarHBondContact O-NE 2.63Å
92	T	98.6	Very high	98.4	Very high	0 Å²	0	62.8 Å²	62.8	0%	0	34%	0.336	C	S	.	.	H	α-helix	trans	-60	-49.7	-179.3	-59.5	0	0	0	0	111.2	Q33 L58 Q59 F72 R88 T89 S94 R95	Q33-T92 PolarHBondContact NE2-O 2.96Å; L58-T92 HydrophobicContact CB-CG2 4Å; L58-T92 HydrophobicContact CD1-CG2 4.39Å; Q59-T92 HydrophobicContact CB-CG2 4.08Å; Q59-T92 PolarHBondContact OE1-OG1 3.21Å; F72-T92 HydrophobicContact CB-CG2 3.69Å; F72-T92 HydrophobicContact CD1-CG2 4.11Å; F72-T92 HydrophobicContact CG-CG2 3.89Å; R88-T92 VanDerWaalsContact O-CB 3.31Å; R88-T92 WeakPolarHBondContact O-CB 3.47Å; R88-T92 PolarHBondContact O-N 3.19Å; R88-T92 PolarHBondContact O-OG1 2.8Å; T89-T92 PolarHBondContact O-N 3.14Å; T92-S94 PolarHBondContact O-N 3.43Å; T92-S94 VanDerWaalsContact O-N 3.12Å; T92-R95 WeakPolarHBondContact O-CB 3.49Å; T92-R95 PolarHBondContact O-N 3.03Å
93	F	98.5	Very high	98.4	Very high	86 Å²	86	62.1 Å²	62.1	38%	0.377	33%	0.331	S	S	.	.	T	Hydrogen-bonded Turn	trans	-72.1	-1.9	178	-76.1	-73.6	0	0	0	113.8	Q33 F61 F72 T89 W91	Q33-F93 WeakPolarHBondContact CG-O 3.35Å; F61-F93 HydrophobicContact CE1-CE2 4.42Å; F61-F93 AromaticContact CE2-CE2 3.84Å; F61-F93 HydrophobicContact CE2-CE2 3.84Å; F61-F93 HydrophobicContact CE2-CZ 4.17Å; F61-F93 HydrophobicContact CZ-CD2 4.43Å; F61-F93 AromaticContact CZ-CE2 3.58Å; F61-F93 HydrophobicContact CZ-CE2 3.58Å; F61-F93 HydrophobicContact CZ-CZ 4.33Å; F72-F93 HydrophobicContact CE1-CD1 4.36Å; F72-F93 AromaticContact CE1-CE1 3.74Å; F72-F93 HydrophobicContact CE1-CE1 3.74Å; F72-F93 HydrophobicContact CE1-CZ 4.17Å; F72-F93 HydrophobicContact CE2-CE1 4.27Å; F72-F93 AromaticContact CE2-CZ 3.89Å; F72-F93 HydrophobicContact CE2-CZ 3.89Å; F72-F93 HydrophobicContact CZ-CD1 4.46Å; F72-F93 AromaticContact CZ-CE1 3.45Å; F72-F93 HydrophobicContact CZ-CE1 3.45Å; F72-F93 VanDerWaalsContact CZ-CE1 3.45Å; F72-F93 AromaticContact CZ-CZ 3.52Å; F72-F93 HydrophobicContact CZ-CZ 3.52Å; T89-F93 HydrophobicContact CG2-CD2 3.95Å; T89-F93 HydrophobicContact CG2-CE2 4.11Å; T89-F93 WeakPolarHBondContact O-CD2 3.46Å; T89-F93 PolarHBondContact O-N 3.06Å; T89-F93 VanDerWaalsContact O-N 3.1Å; W91-F93 PolarHBondContact O-N 3.47Å
94	S	98.3	Very high	98.5	Very high	50 Å²	50	60.5 Å²	60.5	35%	0.35	31%	0.31	S	S	.	.	T	Hydrogen-bonded Turn	trans	-103.6	0.9	170.1	78	0	0	0	0	113.5	M31 A90 W91 T92	M31-S94 WeakPolarHBondContact CE-O 3.42Å; A90-S94 WeakPolarHBondContact O-CB 3.43Å; A90-S94 PolarHBondContact O-N 2.86Å; A90-S94 VanDerWaalsContact O-N 3.17Å; A90-S94 PolarHBondContact O-OG 3.27Å; W91-S94 CarbonylContact O-C 3.59Å; W91-S94 WeakPolarHBondContact O-CA 3.39Å; W91-S94 PolarHBondContact O-N 3.11Å; W91-S94 PolarHBondContact O-OG 3.41Å; T92-S94 PolarHBondContact O-N 3.43Å; T92-S94 VanDerWaalsContact O-N 3.12Å
95	R	98.7	Very high	98.5	Very high	61 Å²	61	62 Å²	62	23%	0.23	31%	0.31	C	S	.	.			trans	-82.1	137.9	173.9	-60.9	-53.7	87.7	170	-1	110.5	M31 Q33 L58 E76 W91 T92 T98	M31-R95 VanDerWaalsContact CE-C 3.42Å; M31-R95 WeakPolarHBondContact CE-O 3.13Å; Q33-R95 WeakPolarHBondContact CG-O 3.38Å; Q33-R95 PolarHBondContact NE2-O 3.03Å; L58-R95 HydrophobicContact CD1-CB 4.5Å; L58-R95 HydrophobicContact CD1-CG 4.2Å; E76-R95 VanDerWaalsContact CD-CD 3.41Å; E76-R95 HydrophobicContact CG-CG 4.22Å; E76-R95 VanDerWaalsContact OE1-CD 3.31Å; E76-R95 WeakPolarHBondContact OE1-CD 3.4Å; E76-R95 WeakPolarHBondContact OE2-CD 3.48Å; E76-R95 IonicContact OE2-NH1 2.73Å; W91-R95 HydrophobicContact CD2-CG 4.39Å; W91-R95 HydrophobicContact CE3-CG 4.28Å; W91-R95 HydrophobicContact CH2-CG 4.12Å; W91-R95 HydrophobicContact CZ2-CG 4.25Å; W91-R95 HydrophobicContact CZ3-CG 4.15Å; W91-R95 PolarHBondContact O-N 3.49Å; W91-R95 PolarHBondContact O-NE 2.63Å; T92-R95 WeakPolarHBondContact O-CB 3.49Å; T92-R95 PolarHBondContact O-N 3.03Å; R95-T98 HydrophobicContact CB-CG2 3.65Å
96	R	98.6	Very high	98.6	Very high	184 Å²	184	59 Å²	59	69%	0.694	30%	0.298	S	S	*	.	S	Bend	trans	-79.2	155.9	175.4	-66.5	-179.4	175.4	-171.9	-2.6	109.8	M31 T98	M31-R96 HydrophobicContact CB-CG 4.39Å; M31-R96 HydrophobicContact CE-CG 3.91Å; M31-R96 HydrophobicContact SD-CG 4.04Å; R96-T98 VanDerWaalsContact C-N 3.25Å; R96-T98 PolarHBondContact O-N 3.46Å; R96-T98 VanDerWaalsContact O-N 3.15Å
97	A	98.5	Very high	98.6	Very high	80 Å²	80	51 Å²	51	66%	0.661	27%	0.265	S	S	*	.	S	Bend	trans	53.3	37.2	167.9	0	0	0	0	0	115.1	M32 Q33	M32-A97 PolarHBondContact O-N 2.84Å; Q33-A97 PolarHBondContact O-N 2.95Å
98	T	98.9	Very high	98.6	Very high	2 Å²	2	48.9 Å²	48.9	1%	0.012	26%	0.255	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-75.9	153.2	172.7	64.6	0	0	0	0	111.3	Q33 Q34 T35 L58 L73 R95 R96	Q33-T98 PolarHBondContact NE2-OG1 2.89Å; Q33-T98 PolarHBondContact O-N 3.46Å; Q33-T98 PolarHBondContact O-OG1 3.43Å; Q34-T98 CarbonylContact C-O 3.59Å; Q34-T98 VanDerWaalsContact CA-O 3.26Å; Q34-T98 WeakPolarHBondContact CA-O 3.43Å; Q34-T98 WeakPolarHBondContact CB-OG1 3.48Å; T35-T98 PolarHBondContact N-O 3.14Å; L58-T98 HydrophobicContact CD1-CG2 3.96Å; L73-T98 CarbonylContact O-C 3.56Å; L73-T98 VanDerWaalsContact O-CA 3.24Å; L73-T98 WeakPolarHBondContact O-CA 3.49Å; L73-T98 WeakPolarHBondContact O-CB 3.28Å; R95-T98 HydrophobicContact CB-CG2 3.65Å; R96-T98 VanDerWaalsContact C-N 3.25Å; R96-T98 PolarHBondContact O-N 3.46Å; R96-T98 VanDerWaalsContact O-N 3.15Å
99	V	98.9	Very high	98.6	Very high	9 Å²	9	49.9 Å²	49.9	6%	0.055	27%	0.274	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-103.5	117.5	167.4	-179.1	0	0	0	0	107.8	T35 L37 M55 L73 L101 I128	T35-V99 WeakPolarHBondContact O-CA 3.26Å; L37-V99 HydrophobicContact CD1-CG1 4.48Å; M55-V99 HydrophobicContact CE-CG2 4.31Å; M55-V99 HydrophobicContact SD-CG2 4.41Å; L73-V99 PolarHBondContact N-O 2.97Å; L73-V99 PolarHBondContact O-N 3.19Å; V99-L101 HydrophobicContact CG1-CD2 3.51Å; V99-L101 HydrophobicContact CG1-CG 4.2Å; V99-I128 HydrophobicContact CG2-CD1 4.26Å
100	E	98.9	Very high	98.6	Very high	25 Å²	25	51.4 Å²	51.4	12%	0.117	28%	0.28	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-92	109.5	171.8	179.5	-165.7	174.4	0	0	108.3	Q34 T35 M36 L37 L70 F72	Q34-E100 PolarHBondContact OE1-OE2 2.84Å; T35-E100 PolarHBondContact O-N 2.93Å; M36-E100 CarbonylContact C-O 3.25Å; M36-E100 VanDerWaalsContact CA-O 3.24Å; M36-E100 WeakPolarHBondContact CA-O 3.5Å; M36-E100 HydrophobicContact CB-CB 4.13Å; M36-E100 HydrophobicContact CB-CG 4.43Å; M36-E100 WeakPolarHBondContact CB-OE2 3.28Å; M36-E100 HydrophobicContact CG-CB 4.24Å; M36-E100 HydrophobicContact CG-CG 4.05Å; M36-E100 WeakPolarHBondContact CG-OE2 3.38Å; L37-E100 PolarHBondContact N-O 3.33Å; L70-E100 WeakPolarHBondContact CD1-OE1 3.36Å; L70-E100 HydrophobicContact CD2-CG 4.38Å; L70-E100 WeakPolarHBondContact CD2-OE1 3.39Å; F72-E100 HydrophobicContact CD1-CB 4.31Å; F72-E100 HydrophobicContact CE1-CB 3.92Å; F72-E100 HydrophobicContact CE1-CG 4.05Å; F72-E100 HydrophobicContact CE2-CG 4.01Å; F72-E100 HydrophobicContact CZ-CB 4.11Å; F72-E100 HydrophobicContact CZ-CG 3.69Å
101	L	98.9	Very high	98.5	Very high	1 Å²	1	55.6 Å²	55.6	1%	0.005	29%	0.293	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-91.6	119.8	171.9	-53.1	-179.5	0	0	0	109.4	L37 V39 Y49 L70 F71 L73 V99	L37-L101 HydrophobicContact CB-CD2 4.23Å; L37-L101 CarbonylContact O-C 3.07Å; L37-L101 WeakPolarHBondContact O-CA 3.49Å; V39-L101 HydrophobicContact CG1-CB 4.07Å; V39-L101 HydrophobicContact CG1-CD1 4.27Å; V39-L101 HydrophobicContact CG1-CD2 3.78Å; V39-L101 HydrophobicContact CG1-CG 4.25Å; V39-L101 HydrophobicContact CG2-CB 4Å; Y49-L101 HydrophobicContact CD2-CD1 3.76Å; Y49-L101 HydrophobicContact CD2-CD2 4.42Å; Y49-L101 HydrophobicContact CE2-CD1 4.05Å; Y49-L101 HydrophobicContact CE2-CD2 3.94Å; L70-L101 CarbonylContact C-O 3.52Å; L70-L101 WeakPolarHBondContact CA-O 3.3Å; F71-L101 HydrophobicContact CB-CB 4.27Å; F71-L101 PolarHBondContact N-O 3Å; F71-L101 PolarHBondContact O-N 3.15Å; L73-L101 HydrophobicContact CD1-CD1 3.52Å; L73-L101 HydrophobicContact CD1-CG 3.71Å; V99-L101 HydrophobicContact CG1-CD2 3.51Å; V99-L101 HydrophobicContact CG1-CG 4.2Å
102	T	98.9	Very high	98.3	Very high	7 Å²	7	58.9 Å²	58.9	4%	0.043	32%	0.321	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-101.2	117.8	176.4	-57	0	0	0	0	110.6	M36 L37 R38 V39 F68 L70	M36-T102 VanDerWaalsContact CE-CB 3.44Å; M36-T102 HydrophobicContact CE-CG2 3.88Å; M36-T102 WeakPolarHBondContact CE-OG1 3.4Å; M36-T102 WeakPolarHBondContact CG-OG1 3.09Å; L37-T102 PolarHBondContact O-N 3.19Å; R38-T102 CarbonylContact C-O 3.59Å; R38-T102 WeakPolarHBondContact CA-O 3.43Å; V39-T102 PolarHBondContact N-O 3.4Å; F68-T102 HydrophobicContact CD2-CG2 4.35Å; L70-T102 HydrophobicContact CD2-CG2 3.86Å; L70-T102 VanDerWaalsContact CD2-OG1 3.31Å; L70-T102 WeakPolarHBondContact CD2-OG1 3.18Å
103	H	98.9	Very high	98.2	Very high	13 Å²	13	60.5 Å²	60.5	6%	0.06	33%	0.329	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-101.3	116.8	173.4	172.1	-129.7	0	0	0	110	V39 P42 F68 T69 F71 W105 E108	V39-H103 HydrophobicContact CG2-CB 4.36Å; P42-H103 HydrophobicContact CB-CB 4.2Å; P42-H103 VanDerWaalsContact CD-CD2 3.48Å; P42-H103 WeakPolarHBondContact CD-CD2 3.31Å; P42-H103 HydrophobicContact CG-CB 4.19Å; F68-H103 CarbonylContact C-O 3.53Å; F68-H103 WeakPolarHBondContact CA-O 3.43Å; F68-H103 VanDerWaalsContact CB-O 3.26Å; F68-H103 WeakPolarHBondContact CB-O 3.42Å; T69-H103 PolarHBondContact N-O 2.87Å; T69-H103 PolarHBondContact O-N 3.44Å; F71-H103 HydrophobicContact CE2-CB 3.91Å; H103-W105 AromaticContact CE1-CD1 3.86Å; H103-W105 AromaticContact ND1-CD1 3.61Å; H103-E108 IonicContact CD2-OE2 3.82Å; H103-E108 IonicContact CE1-OE1 2.69Å; H103-E108 IonicContact CE1-OE2 3.88Å; H103-E108 PolarHBondContact CE1-OE2 3.44Å; H103-E108 IonicContact NE2-OE1 3.79Å; H103-E108 IonicContact NE2-OE2 3.45Å; H103-E108 PolarHBondContact NE2-OE2 3.26Å
104	N	98.8	Very high	98.1	Very high	59 Å²	59	61.7 Å²	61.7	32%	0.316	34%	0.343	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-87.4	121.3	169.4	-63.1	-59.7	0	0	0	108.4	G106 S107 Y115	N104-G106 PolarHBondContact O-N 2.74Å; N104-S107 WeakPolarHBondContact O-CB 3.29Å; N104-S107 PolarHBondContact O-N 3.05Å; N104-S107 PolarHBondContact O-OG 2.71Å; N104-Y115 PolarHBondContact ND2-OH 2.77Å
105	W	98.6	Very high	98.1	Very high	109 Å²	109	61.3 Å²	61.3	41%	0.413	33%	0.334	S	S	.	.	T	Hydrogen-bonded Turn	trans	-61.9	131.5	-167.2	-62.1	-6.8	0	0	0	112.7	D62 P64 R67 F68 T69 H103	D62-W105 HydrophobicContact CB-CZ2 4.43Å; P64-W105 HydrophobicContact CB-CH2 3.89Å; P64-W105 HydrophobicContact CB-CZ3 4.33Å; P64-W105 HydrophobicContact CG-CH2 4.08Å; R67-W105 HydrophobicContact CB-CB 4.39Å; R67-W105 HydrophobicContact CB-CD2 4.27Å; R67-W105 HydrophobicContact CB-CE3 4.03Å; R67-W105 HydrophobicContact CB-CG 4.44Å; R67-W105 HydrophobicContact CG-CE3 4.23Å; R67-W105 PolarHBondContact O-N 2.94Å; F68-W105 VanDerWaalsContact C-NE1 3.28Å; T69-W105 PolarHBondContact OG1-NE1 3.1Å; H103-W105 AromaticContact CE1-CD1 3.86Å; H103-W105 AromaticContact ND1-CD1 3.61Å
106	G	98.3	Very high	98.1	Very high	35 Å²	35	62.6 Å²	62.6	36%	0.361	34%	0.343	S	S	.	.	T	Hydrogen-bonded Turn	trans	96	-11.1	179.8	0	0	0	0	0	114.1	N104 E108 S109 D110	N104-G106 PolarHBondContact O-N 2.74Å; G106-E108 VanDerWaalsContact C-OE2 3.24Å; G106-E108 WeakPolarHBondContact CA-OE2 3.26Å; G106-E108 PolarHBondContact N-OE2 2.71Å; G106-E108 PolarHBondContact O-N 2.63Å; G106-S109 PolarHBondContact O-N 3.11Å; G106-D110 PolarHBondContact O-N 2.77Å
107	S	98.5	Very high	98.1	Very high	9 Å²	9	55.1 Å²	55.1	6%	0.063	32%	0.316	C	S	.	.	G	3₁₀ helix	trans	-58.4	-31.8	176.6	55.4	0	0	0	0	112.7	K40 N104 S109 D110	K40-S107 WeakPolarHBondContact CG-O 3.31Å; K40-S107 PolarHBondContact NZ-O 2.92Å; K40-S107 CarbonylContact O-C 3.5Å; K40-S107 PolarHBondContact O-OG 3.09Å; N104-S107 WeakPolarHBondContact O-CB 3.29Å; N104-S107 PolarHBondContact O-N 3.05Å; N104-S107 PolarHBondContact O-OG 2.71Å; S107-S109 PolarHBondContact O-N 3.4Å; S107-D110 PolarHBondContact O-N 3.04Å
108	E	98.4	Very high	98.1	Very high	77 Å²	77	51.7 Å²	51.7	36%	0.36	29%	0.289	S	S	.	.	G	3₁₀ helix	trans	-64.7	-23	178.3	68.4	-83.7	-158.2	0	0	113.6	K40 D41 H103 G106	K40-E108 WeakPolarHBondContact O-CA 3.29Å; K40-E108 PolarHBondContact O-N 3.13Å; K40-E108 VanDerWaalsContact O-N 3.11Å; D41-E108 HydrophobicContact CB-CB 4.11Å; H103-E108 IonicContact CD2-OE2 3.82Å; H103-E108 IonicContact CE1-OE1 2.69Å; H103-E108 IonicContact CE1-OE2 3.88Å; H103-E108 PolarHBondContact CE1-OE2 3.44Å; H103-E108 IonicContact NE2-OE1 3.79Å; H103-E108 IonicContact NE2-OE2 3.45Å; H103-E108 PolarHBondContact NE2-OE2 3.26Å; G106-E108 VanDerWaalsContact C-OE2 3.24Å; G106-E108 WeakPolarHBondContact CA-OE2 3.26Å; G106-E108 PolarHBondContact N-OE2 2.71Å; G106-E108 PolarHBondContact O-N 2.63Å
109	S	98.3	Very high	98	Very high	98 Å²	98	53.5 Å²	53.5	69%	0.685	30%	0.298	S	S	*	.	G	3₁₀ helix	trans	-106.1	-4.3	-177.3	-59.2	0	0	0	0	113.7	G106 S107	G106-S109 PolarHBondContact O-N 3.11Å; S107-S109 PolarHBondContact O-N 3.4Å
110	D	97.6	Very high	97.9	Very high	73 Å²	73	55.9 Å²	55.9	39%	0.39	32%	0.315	S	S	.	.			trans	-98.9	101	178.4	-179.1	-5.2	0	0	0	110.4	K40 G106 S107 S112 Q113	K40-D110 PolarHBondContact NZ-O 3.19Å; G106-D110 PolarHBondContact O-N 2.77Å; S107-D110 PolarHBondContact O-N 3.04Å; D110-S112 PolarHBondContact O-N 3.29Å; D110-S112 VanDerWaalsContact O-N 3.1Å; D110-S112 WeakPolarHBondContact OD1-CB 3.29Å; D110-S112 PolarHBondContact OD1-N 2.92Å; D110-S112 PolarHBondContact OD1-OG 3.45Å; D110-S112 PolarHBondContact OD2-OG 2.88Å; D110-Q113 HydrophobicContact CB-CB 3.97Å; D110-Q113 PolarHBondContact O-N 3.16Å
111	D	95.7	Very high	97.7	Very high	157 Å²	157	59.5 Å²	59.5	84%	0.84	34%	0.336	S	S	*	.	T	Hydrogen-bonded Turn	trans	-61	-19.8	-179.3	-68.6	-26.6	0	0	0	113.9
112	S	95.9	Very high	97.5	Very high	101 Å²	101	64.5 Å²	64.5	71%	0.706	37%	0.368	S	S	*	.	T	Hydrogen-bonded Turn	trans	-84.3	-14.7	178.2	76.4	0	0	0	0	113.4	D110	D110-S112 PolarHBondContact O-N 3.29Å; D110-S112 VanDerWaalsContact O-N 3.1Å; D110-S112 WeakPolarHBondContact OD1-CB 3.29Å; D110-S112 PolarHBondContact OD1-N 2.92Å; D110-S112 PolarHBondContact OD1-OG 3.45Å; D110-S112 PolarHBondContact OD2-OG 2.88Å
113	Q	96.5	Very high	97.4	Very high	35 Å²	35	71.9 Å²	71.9	16%	0.164	40%	0.395	C	S	.	.			trans	-87	127	-176.8	-167.3	-74.1	-33.8	0	0	111	K40 D110 Y115	K40-Q113 WeakPolarHBondContact CD-O 3.47Å; K40-Q113 WeakPolarHBondContact CE-O 3.4Å; K40-Q113 PolarHBondContact NZ-O 2.9Å; D110-Q113 HydrophobicContact CB-CB 3.97Å; D110-Q113 PolarHBondContact O-N 3.16Å; Q113-Y115 VanDerWaalsContact NE2-CE1 3.35Å; Q113-Y115 VanDerWaalsContact NE2-CE2 3.34Å
114	T	96.4	Very high	97.3	Very high	111 Å²	111	74.5 Å²	74.5	68%	0.681	43%	0.426	S	S	*	.			trans	-141.8	149.3	167.7	57.1	0	0	0	0	109.5
115	Y	98.4	Very high	97.2	Very high	41 Å²	41	75.2 Å²	75.2	16%	0.161	43%	0.426	C	S	.	.			trans	-88	151	168.5	-65.1	-68	0	0	0	111.2	R38 V39 K40 N104 Q113	R38-Y115 HydrophobicContact CB-CD1 3.71Å; R38-Y115 HydrophobicContact CB-CD2 4.05Å; R38-Y115 HydrophobicContact CB-CE1 3.48Å; R38-Y115 VanDerWaalsContact CB-CE1 3.48Å; R38-Y115 HydrophobicContact CB-CE2 3.84Å; R38-Y115 HydrophobicContact CB-CG 3.99Å; R38-Y115 HydrophobicContact CG-CE1 4.13Å; R38-Y115 WeakPolarHBondContact O-CD2 3.24Å; V39-Y115 WeakPolarHBondContact O-CE2 3.5Å; K40-Y115 HydrophobicContact CB-CD2 4.35Å; K40-Y115 HydrophobicContact CB-CE2 4.29Å; N104-Y115 PolarHBondContact ND2-OH 2.77Å; Q113-Y115 VanDerWaalsContact NE2-CE1 3.35Å; Q113-Y115 VanDerWaalsContact NE2-CE2 3.34Å
116	H	98.2	Very high	97.2	Very high	88 Å²	88	71.1 Å²	71.1	41%	0.407	42%	0.418	S	S	.	.			trans	-92.7	127.3	176.8	-176.3	-97.4	0	0	0	109.6	G118 S120 P122	H116-G118 VanDerWaalsContact C-N 3.3Å; H116-G118 VanDerWaalsContact CE1-CA 3.49Å; H116-G118 WeakPolarHBondContact CE1-CA 3.5Å; H116-G118 PolarHBondContact CE1-N 2.84Å; H116-G118 WeakPolarHBondContact ND1-CA 3.31Å; H116-G118 PolarHBondContact ND1-N 3.1Å; H116-G118 VanDerWaalsContact ND1-N 3.11Å; H116-G118 PolarHBondContact O-N 2.92Å; H116-S120 PolarHBondContact CE1-O 3.01Å; H116-S120 PolarHBondContact NE2-O 3.43Å; H116-S120 PolarHBondContact NE2-OG 2.95Å; H116-P122 PolarHBondContact CE1-O 2.82Å; H116-P122 VanDerWaalsContact CE1-O 3.26Å
117	N	98.2	Very high	97.3	Very high	27 Å²	27	73 Å²	73	14%	0.144	42%	0.417	C	S	.	.			trans	-79.5	-7.9	-176.2	68.8	13.8	0	0	0	114.8	N119 F125 G169 Y170	N117-N119 PolarHBondContact O-N 3.21Å; N117-N119 PolarHBondContact O-ND2 3.15Å; N117-N119 PolarHBondContact OD1-N 3.14Å; N117-F125 WeakPolarHBondContact O-CD1 3.44Å; N117-G169 WeakPolarHBondContact CB-O 3.33Å; N117-G169 PolarHBondContact ND2-O 2.85Å; N117-Y170 HydrophobicContact CB-CD1 3.94Å; N117-Y170 HydrophobicContact CB-CE1 4.4Å
118	G	98.1	Very high	97.3	Very high	8 Å²	8	73.6 Å²	73.6	8%	0.082	42%	0.419	C	S	.	.	S	Bend	trans	85.3	-3.9	177.4	0	0	0	0	0	116	H116 R123 G124 F125	H116-G118 VanDerWaalsContact C-N 3.3Å; H116-G118 VanDerWaalsContact CE1-CA 3.49Å; H116-G118 WeakPolarHBondContact CE1-CA 3.5Å; H116-G118 PolarHBondContact CE1-N 2.84Å; H116-G118 WeakPolarHBondContact ND1-CA 3.31Å; H116-G118 PolarHBondContact ND1-N 3.1Å; H116-G118 VanDerWaalsContact ND1-N 3.11Å; H116-G118 PolarHBondContact O-N 2.92Å; G118-R123 VanDerWaalsContact O-CA 3.26Å; G118-R123 WeakPolarHBondContact O-CA 3.33Å; G118-G124 PolarHBondContact O-N 3.29Å; G118-F125 CarbonylContact C-O 3.54Å; G118-F125 VanDerWaalsContact C-O 3.25Å; G118-F125 VanDerWaalsContact CA-O 3.29Å; G118-F125 WeakPolarHBondContact CA-O 3.38Å
119	N	97.4	Very high	97.3	Very high	40 Å²	40	72 Å²	72	21%	0.214	42%	0.424	C	S	.	.	S	Bend	trans	-92.8	-8.4	-176.8	-67.1	-72	0	0	0	113.9	N117 R123 G126 W171	N117-N119 PolarHBondContact O-N 3.21Å; N117-N119 PolarHBondContact O-ND2 3.15Å; N117-N119 PolarHBondContact OD1-N 3.14Å; N119-R123 PolarHBondContact O-NE 2.62Å; N119-G126 PolarHBondContact ND2-O 2.84Å; N119-G126 PolarHBondContact OD1-O 3.28Å; N119-W171 HydrophobicContact CB-CD2 4.24Å; N119-W171 HydrophobicContact CB-CH2 4.22Å; N119-W171 HydrophobicContact CB-CZ2 3.84Å
120	S	96.2	Very high	97.3	Very high	59 Å²	59	68.1 Å²	68.1	41%	0.413	40%	0.395	S	S	.	.	S	Bend	trans	-109	171.5	165.9	47.7	0	0	0	0	111.5	H116 P122 R123	H116-S120 PolarHBondContact CE1-O 3.01Å; H116-S120 PolarHBondContact NE2-O 3.43Å; H116-S120 PolarHBondContact NE2-OG 2.95Å; S120-P122 CarbonylContact O-C 3.54Å; S120-R123 WeakPolarHBondContact O-CA 3.47Å; S120-R123 VanDerWaalsContact O-CG 3.28Å; S120-R123 WeakPolarHBondContact O-CG 3.49Å; S120-R123 PolarHBondContact O-N 3.48Å
121	D	94.8	Very high	97.3	Very high	102 Å²	102	67.8 Å²	67.8	55%	0.545	40%	0.402	S	S	.	.	S	Bend	trans	-69.6	132.9	177.3	-73.2	-44.7	0	0	0	111.9	R123	D121-R123 IonicContact OD1-CZ 2.81Å; D121-R123 IonicContact OD1-NH1 3.67Å; D121-R123 PolarHBondContact OD1-NH1 3.48Å; D121-R123 IonicContact OD2-CZ 3.64Å; D121-R123 IonicContact OD2-NH1 3.88Å; D121-R123 PolarHBondContact OD2-NH1 3.05Å
122	P	95.8	Very high	97.4	Very high	105 Å²	105	61.3 Å²	61.3	68%	0.682	37%	0.369	S	S	*	.	S	Bend	cis	-78.2	125.9	-1.5	31.7	-33.4	0	0	0	112.6	H116 S120	H116-P122 PolarHBondContact CE1-O 2.82Å; H116-P122 VanDerWaalsContact CE1-O 3.26Å; S120-P122 CarbonylContact O-C 3.54Å
123	R	95.4	Very high	97.4	Very high	163 Å²	163	62.8 Å²	62.8	62%	0.615	38%	0.375	S	S	*	.	P	Polyproline II helix	trans	-76.5	153	-179	-66.6	178.8	178.2	88.5	-1.7	112.6	G118 N119 S120 D121	G118-R123 VanDerWaalsContact O-CA 3.26Å; G118-R123 WeakPolarHBondContact O-CA 3.33Å; N119-R123 PolarHBondContact O-NE 2.62Å; S120-R123 WeakPolarHBondContact O-CA 3.47Å; S120-R123 VanDerWaalsContact O-CG 3.28Å; S120-R123 WeakPolarHBondContact O-CG 3.49Å; S120-R123 PolarHBondContact O-N 3.48Å; D121-R123 IonicContact OD1-CZ 2.81Å; D121-R123 IonicContact OD1-NH1 3.67Å; D121-R123 PolarHBondContact OD1-NH1 3.48Å; D121-R123 IonicContact OD2-CZ 3.64Å; D121-R123 IonicContact OD2-NH1 3.88Å; D121-R123 PolarHBondContact OD2-NH1 3.05Å
124	G	97.1	Very high	97.4	Very high	68 Å²	68	64.8 Å²	64.8	70%	0.701	39%	0.387	S	S	*	.			trans	-170.9	-97.6	178.9	0	0	0	0	0	112.2	G118	G118-G124 PolarHBondContact O-N 3.29Å
125	F	98.4	Very high	97.5	Very high	74 Å²	74	59.5 Å²	59.5	33%	0.325	36%	0.355	S	S	.	.			trans	-57.2	144.1	168.4	173.1	-101.7	0	0	0	110.7	L37 N117 G118 H127 I128 Y170	L37-F125 HydrophobicContact CD2-CE1 4.01Å; L37-F125 HydrophobicContact CD2-CE2 4.44Å; L37-F125 HydrophobicContact CD2-CZ 3.91Å; N117-F125 WeakPolarHBondContact O-CD1 3.44Å; G118-F125 CarbonylContact C-O 3.54Å; G118-F125 VanDerWaalsContact C-O 3.25Å; G118-F125 VanDerWaalsContact CA-O 3.29Å; G118-F125 WeakPolarHBondContact CA-O 3.38Å; F125-H127 VanDerWaalsContact CZ-CA 3.5Å; F125-I128 HydrophobicContact CE2-CG2 4.44Å; F125-I128 HydrophobicContact CZ-CG2 4.18Å; F125-Y170 HydrophobicContact CD1-CD1 4.1Å; F125-Y170 HydrophobicContact CD1-CE1 4.39Å; F125-Y170 AromaticContact CE1-CD1 3.76Å; F125-Y170 HydrophobicContact CE1-CD1 3.76Å; F125-Y170 HydrophobicContact CE1-CE1 4.39Å
126	G	98.2	Very high	97.4	Very high	23 Å²	23	62.4 Å²	62.4	24%	0.237	37%	0.366	C	S	.	.			trans	-108.6	-70.1	178.2	0	0	0	0	0	112.1	N119	N119-G126 PolarHBondContact ND2-O 2.84Å; N119-G126 PolarHBondContact OD1-O 3.28Å
127	H	98.8	Very high	97.4	Very high	75 Å²	75	60.7 Å²	60.7	35%	0.347	37%	0.368	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-161	164.9	-174.1	49.2	-94.2	0	0	0	111.4	F125 F163 W171 E173	F125-H127 VanDerWaalsContact CZ-CA 3.5Å; H127-F163 HydrophobicContact CB-CE1 4.29Å; H127-F163 AromaticContact CE1-CE1 3.79Å; H127-F163 AromaticContact CG-CE1 3.72Å; H127-F163 AromaticContact ND1-CE1 3.58Å; H127-W171 WeakPolarHBondContact CA-O 3.33Å; H127-W171 HydrophobicContact CB-CB 3.81Å; H127-W171 WeakPolarHBondContact CB-O 3.41Å; H127-E173 IonicContact CD2-OE2 3.72Å; H127-E173 IonicContact NE2-OE2 2.69Å; H127-E173 PolarHBondContact NE2-OE2 2.84Å
128	I	98.8	Very high	97.4	Very high	20 Å²	20	60.3 Å²	60.3	10%	0.103	37%	0.368	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-95.2	160.2	156.1	58.9	171.7	0	0	0	109.1	T35 Y49 V99 F125 W171 I172 E173	T35-I128 HydrophobicContact CG2-CG2 4Å; Y49-I128 HydrophobicContact CE1-CD1 4.09Å; V99-I128 HydrophobicContact CG2-CD1 4.26Å; F125-I128 HydrophobicContact CE2-CG2 4.44Å; F125-I128 HydrophobicContact CZ-CG2 4.18Å; I128-W171 PolarHBondContact N-O 3.35Å; I128-I172 HydrophobicContact CD1-CD1 4.2Å; I128-I172 HydrophobicContact CD1-CG1 4.14Å; I128-I172 HydrophobicContact CG1-CB 4.37Å; I128-I172 HydrophobicContact CG1-CD1 4.45Å; I128-I172 HydrophobicContact CG1-CG1 3.84Å; I128-I172 HydrophobicContact CG1-CG2 4.19Å; I128-I172 CarbonylContact O-C 3.59Å; I128-I172 WeakPolarHBondContact O-CA 3.49Å; I128-E173 PolarHBondContact O-N 3.37Å
129	G	98.6	Very high	97.4	Very high	44 Å²	44	60.1 Å²	60.1	45%	0.454	37%	0.366	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-123.1	139.1	179.8	0	0	0	0	0	112.5
130	I	98.6	Very high	97.5	Very high	17 Å²	17	64.3 Å²	64.3	9%	0.087	38%	0.382	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-120.9	115.9	177.6	-52.3	-63.8	0	0	0	108.7	M55 Y75 V132 I172 E173 I174 L175	M55-I130 HydrophobicContact CE-CD1 3.7Å; Y75-I130 HydrophobicContact CE2-CD1 3.98Å; Y75-I130 HydrophobicContact CE2-CG2 4.32Å; Y75-I130 WeakPolarHBondContact OH-CG2 3.3Å; I130-V132 HydrophobicContact CG2-CG1 4.15Å; I130-I172 HydrophobicContact CG1-CG2 3.67Å; I130-E173 PolarHBondContact N-O 3.4Å; I130-I174 HydrophobicContact CB-CD1 4.17Å; I130-L175 PolarHBondContact O-N 3.4Å; I130-L175 VanDerWaalsContact O-N 3.16Å
131	A	98.1	Very high	97.6	Very high	65 Å²	65	64.8 Å²	64.8	54%	0.537	38%	0.378	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-78.1	128.5	172.6	0	0	0	0	0	110.1	L175 P177	A131-L175 CarbonylContact C-O 3.52Å; A131-L175 VanDerWaalsContact CA-O 3.28Å; A131-L175 WeakPolarHBondContact CA-O 3.5Å; A131-L175 HydrophobicContact CB-CD1 4.05Å; A131-P177 HydrophobicContact CB-CG 4.11Å
132	V	97.8	Very high	97.8	Very high	22 Å²	22	60.3 Å²	60.3	13%	0.133	35%	0.354	C	S	.	.			trans	-126.9	152.7	178.2	-61.1	0	0	0	0	110.7	I130 D134 V135 A138 I174 L175 S176	I130-V132 HydrophobicContact CG2-CG1 4.15Å; V132-D134 VanDerWaalsContact C-N 3.34Å; V132-D134 PolarHBondContact O-N 3.06Å; V132-V135 HydrophobicContact CG2-CB 4.45Å; V132-V135 HydrophobicContact CG2-CG2 3.83Å; V132-A138 HydrophobicContact CG1-CB 4.46Å; V132-A138 HydrophobicContact CG2-CB 4.28Å; V132-I174 HydrophobicContact CG1-CG2 4.18Å; V132-I174 HydrophobicContact CG2-CG2 3.67Å; V132-L175 PolarHBondContact N-O 3.16Å; V132-S176 WeakPolarHBondContact O-CA 3.17Å; V132-S176 WeakPolarHBondContact O-CB 3.45Å
133	P	96.5	Very high	97.9	Very high	131 Å²	131	60.5 Å²	60.5	85%	0.851	35%	0.346	S	S	*	.	S	Bend	trans	-62.9	-40.7	175.9	-23.1	34.1	0	0	0	112.7	S176	P133-S176 PolarHBondContact O-OG 3.41Å
134	D	96.4	Very high	98	Very high	78 Å²	78	58.9 Å²	58.9	42%	0.417	35%	0.345	S	S	.	.			trans	-138.1	110.8	-177.4	-177.4	-16.1	0	0	0	110.3	V132 Y136 A137 A138	V132-D134 VanDerWaalsContact C-N 3.34Å; V132-D134 PolarHBondContact O-N 3.06Å; D134-Y136 PolarHBondContact OD1-N 3.28Å; D134-A137 HydrophobicContact CB-CB 3.95Å; D134-A137 PolarHBondContact OD1-N 2.73Å; D134-A138 WeakPolarHBondContact O-CB 3.32Å; D134-A138 PolarHBondContact O-N 3.45Å; D134-A138 VanDerWaalsContact O-N 3.14Å
135	V	97.4	Very high	98.1	Very high	0 Å²	0	60.2 Å²	60.2	0%	0	33%	0.333	C	S	.	.	H	α-helix	trans	-65.7	-37.3	-179.7	175	0	0	0	0	111.5	V132 C139 P153 A162 I174	V132-V135 HydrophobicContact CG2-CB 4.45Å; V132-V135 HydrophobicContact CG2-CG2 3.83Å; V135-C139 VanDerWaalsContact O-CB 3.28Å; V135-C139 WeakPolarHBondContact O-CB 3.34Å; V135-C139 PolarHBondContact O-N 2.96Å; V135-C139 PolarHBondContact O-SG 3.22Å; V135-P153 HydrophobicContact CG1-CB 4.26Å; V135-P153 HydrophobicContact CG1-CG 4.08Å; V135-A162 HydrophobicContact CG1-CB 4.37Å; V135-I174 HydrophobicContact CG1-CG2 4.33Å
136	Y	96.6	Very high	98	Very high	101 Å²	101	59.7 Å²	59.7	40%	0.396	35%	0.349	S	S	.	.	H	α-helix	trans	-72.7	-44.2	-176.8	-63.2	-83.7	0	0	0	111.1	D134 A138 C139 K140 P153 D154 G160	D134-Y136 PolarHBondContact OD1-N 3.28Å; Y136-A138 PolarHBondContact O-N 3.21Å; Y136-C139 PolarHBondContact O-N 3.03Å; Y136-K140 WeakPolarHBondContact O-CB 2.94Å; Y136-K140 PolarHBondContact O-N 2.96Å; Y136-P153 HydrophobicContact CD1-CB 3.83Å; Y136-P153 HydrophobicContact CD1-CG 4.29Å; Y136-P153 HydrophobicContact CE1-CB 3.62Å; Y136-D154 PolarHBondContact OH-OD1 3.38Å; Y136-G160 WeakPolarHBondContact OH-CA 3.37Å; Y136-G160 PolarHBondContact OH-N 2.97Å
137	A	98.1	Very high	98.1	Very high	53 Å²	53	59.5 Å²	59.5	44%	0.438	34%	0.343	S	S	.	.	H	α-helix	trans	-61.6	-44.1	175.8	0	0	0	0	0	111.7	D134 K140 M141	D134-A137 HydrophobicContact CB-CB 3.95Å; D134-A137 PolarHBondContact OD1-N 2.73Å; A137-K140 PolarHBondContact O-N 2.86Å; A137-M141 PolarHBondContact O-N 2.86Å
138	A	98.4	Very high	98	Very high	18 Å²	18	59.8 Å²	59.8	15%	0.149	35%	0.35	C	S	.	.	H	α-helix	trans	-60.9	-48.7	175.5	0	0	0	0	0	111.6	V132 D134 Y136 K140 M141 F142 I174	V132-A138 HydrophobicContact CG1-CB 4.46Å; V132-A138 HydrophobicContact CG2-CB 4.28Å; D134-A138 WeakPolarHBondContact O-CB 3.32Å; D134-A138 PolarHBondContact O-N 3.45Å; D134-A138 VanDerWaalsContact O-N 3.14Å; Y136-A138 PolarHBondContact O-N 3.21Å; A138-K140 VanDerWaalsContact C-N 3.33Å; A138-K140 PolarHBondContact O-N 2.86Å; A138-M141 PolarHBondContact O-N 2.8Å; A138-F142 HydrophobicContact CB-CE2 4Å; A138-F142 HydrophobicContact CB-CZ 4.25Å; A138-F142 VanDerWaalsContact O-CD2 3.31Å; A138-F142 WeakPolarHBondContact O-CD2 3.48Å; A138-F142 WeakPolarHBondContact O-CG 3.24Å; A138-F142 PolarHBondContact O-N 2.89Å; A138-I174 HydrophobicContact CB-CG2 4.47Å
139	C	98.3	Very high	98	Very high	5 Å²	5	60.8 Å²	60.8	3%	0.034	35%	0.354	C	S	.	.	H	α-helix	trans	-66.1	-33.9	-178.8	-68.4	0	0	0	0	113.2	V135 Y136 F142 E143 F149 P153 A162	V135-C139 VanDerWaalsContact O-CB 3.28Å; V135-C139 WeakPolarHBondContact O-CB 3.34Å; V135-C139 PolarHBondContact O-N 2.96Å; V135-C139 PolarHBondContact O-SG 3.22Å; Y136-C139 PolarHBondContact O-N 3.03Å; C139-F142 PolarHBondContact O-N 2.92Å; C139-E143 WeakPolarHBondContact O-CB 3.46Å; C139-E143 PolarHBondContact O-N 3.1Å; C139-F149 HydrophobicContact CB-CE1 3.91Å; C139-F149 HydrophobicContact CB-CZ 3.85Å; C139-P153 HydrophobicContact CB-CG 3.67Å; C139-P153 VanDerWaalsContact SG-CG 3.55Å; C139-A162 VanDerWaalsContact SG-CB 3.51Å
140	K	98.4	Very high	98	Very high	128 Å²	128	61.2 Å²	61.2	56%	0.557	35%	0.347	S	S	*	.	H	α-helix	trans	-60.9	-47.2	172.7	-175.5	-175.2	175.5	-159	0	111.1	Y136 A137 A138 F142 E143 E144	Y136-K140 WeakPolarHBondContact O-CB 2.94Å; Y136-K140 PolarHBondContact O-N 2.96Å; A137-K140 PolarHBondContact O-N 2.86Å; A138-K140 VanDerWaalsContact C-N 3.33Å; A138-K140 PolarHBondContact O-N 2.86Å; K140-F142 VanDerWaalsContact C-N 3.34Å; K140-F142 PolarHBondContact O-N 2.89Å; K140-E143 PolarHBondContact O-N 3.49Å; K140-E144 WeakPolarHBondContact CE-OE1 3.36Å; K140-E144 IonicContact NZ-OE1 2.93Å; K140-E144 WeakPolarHBondContact O-CG 3.31Å; K140-E144 PolarHBondContact O-N 3.02Å
141	M	98.6	Very high	97.9	Very high	68 Å²	68	61.9 Å²	61.9	34%	0.335	35%	0.35	S	S	.	.	H	α-helix	trans	-61.7	-43.2	175.7	-178.3	-80.7	-66.9	0	0	111.3	A137 A138 E143 E144 Q145	A137-M141 PolarHBondContact O-N 2.86Å; A138-M141 PolarHBondContact O-N 2.8Å; M141-E143 VanDerWaalsContact C-N 3.34Å; M141-E143 PolarHBondContact O-N 3.22Å; M141-E144 PolarHBondContact O-N 3.12Å; M141-Q145 HydrophobicContact CG-CG 4.47Å; M141-Q145 WeakPolarHBondContact O-CB 3.31Å; M141-Q145 VanDerWaalsContact O-CG 3.26Å; M141-Q145 WeakPolarHBondContact O-CG 3.49Å; M141-Q145 PolarHBondContact O-N 3.27Å; M141-Q145 HydrophobicContact SD-CG 3.67Å
142	F	98.7	Very high	97.8	Very high	9 Å²	9	62.6 Å²	62.6	4%	0.039	34%	0.34	C	S	.	.	H	α-helix	trans	-59	-43	176.1	-62.9	-29.3	0	0	0	112.4	I52 L53 A138 C139 K140 Q145 G146 V147 F149 I164 I174	I52-F142 HydrophobicContact CG2-CD1 3.68Å; I52-F142 HydrophobicContact CG2-CE1 3.79Å; L53-F142 HydrophobicContact CD2-CE1 4.08Å; L53-F142 HydrophobicContact CD2-CZ 3.96Å; A138-F142 HydrophobicContact CB-CE2 4Å; A138-F142 HydrophobicContact CB-CZ 4.25Å; A138-F142 VanDerWaalsContact O-CD2 3.31Å; A138-F142 WeakPolarHBondContact O-CD2 3.48Å; A138-F142 WeakPolarHBondContact O-CG 3.24Å; A138-F142 PolarHBondContact O-N 2.89Å; C139-F142 PolarHBondContact O-N 2.92Å; K140-F142 VanDerWaalsContact C-N 3.34Å; K140-F142 PolarHBondContact O-N 2.89Å; F142-Q145 CarbonylContact O-C 3.58Å; F142-Q145 PolarHBondContact O-N 2.95Å; F142-G146 PolarHBondContact O-N 2.79Å; F142-V147 HydrophobicContact CB-CB 3.87Å; F142-V147 HydrophobicContact CB-CG1 4.28Å; F142-V147 HydrophobicContact CB-CG2 3.95Å; F142-V147 HydrophobicContact CD1-CG2 4.39Å; F142-V147 HydrophobicContact CG-CG2 4.47Å; F142-V147 VanDerWaalsContact O-CB 3.29Å; F142-V147 WeakPolarHBondContact O-CB 3.46Å; F142-V147 WeakPolarHBondContact O-CG2 3.44Å; F142-V147 PolarHBondContact O-N 3.04Å; F142-F149 HydrophobicContact CB-CE2 4.08Å; F142-F149 HydrophobicContact CB-CZ 3.85Å; F142-F149 HydrophobicContact CD2-CZ 4.45Å; F142-I164 HydrophobicContact CD2-CD1 4.28Å; F142-I164 HydrophobicContact CD2-CG2 4.14Å; F142-I164 HydrophobicContact CE2-CD1 4.17Å; F142-I164 HydrophobicContact CZ-CD1 4.44Å; F142-I174 HydrophobicContact CE2-CD1 3.85Å; F142-I174 HydrophobicContact CE2-CG1 3.92Å; F142-I174 HydrophobicContact CE2-CG2 4.31Å; F142-I174 HydrophobicContact CZ-CD1 4.27Å
143	E	97.9	Very high	97.7	Very high	108 Å²	108	62.1 Å²	62.1	51%	0.505	34%	0.338	S	S	.	.	H	α-helix	trans	-64.1	-44.2	176.3	-175.3	165.8	-137.4	0	0	111.9	C139 K140 M141 Q145 G146 F149 K152	C139-E143 WeakPolarHBondContact O-CB 3.46Å; C139-E143 PolarHBondContact O-N 3.1Å; K140-E143 PolarHBondContact O-N 3.49Å; M141-E143 VanDerWaalsContact C-N 3.34Å; M141-E143 PolarHBondContact O-N 3.22Å; E143-Q145 PolarHBondContact O-N 2.78Å; E143-G146 PolarHBondContact O-N 3.04Å; E143-F149 HydrophobicContact CB-CE2 4.3Å; E143-K152 IonicContact OE1-NZ 2.61Å; E143-K152 PolarHBondContact OE1-NZ 3.29Å
144	E	98.4	Very high	97.5	Very high	130 Å²	130	59.9 Å²	59.9	61%	0.607	32%	0.319	S	S	*	.	H	α-helix	trans	-61.5	-29.2	174.9	-71.8	172.4	177.9	0	0	112.7	K140 M141	K140-E144 WeakPolarHBondContact CE-OE1 3.36Å; K140-E144 IonicContact NZ-OE1 2.93Å; K140-E144 WeakPolarHBondContact O-CG 3.31Å; K140-E144 PolarHBondContact O-N 3.02Å; M141-E144 PolarHBondContact O-N 3.12Å
145	Q	98.1	Very high	97.2	Very high	96 Å²	96	60 Å²	60	45%	0.449	32%	0.319	S	S	.	.	T	Hydrogen-bonded Turn	trans	-89.4	4	176.3	-63.9	-63.3	-49.1	0	0	113.7	I52 M141 F142 E143 V147	I52-Q145 HydrophobicContact CD1-CB 3.67Å; I52-Q145 HydrophobicContact CD1-CG 3.99Å; M141-Q145 HydrophobicContact CG-CG 4.47Å; M141-Q145 WeakPolarHBondContact O-CB 3.31Å; M141-Q145 VanDerWaalsContact O-CG 3.26Å; M141-Q145 WeakPolarHBondContact O-CG 3.49Å; M141-Q145 PolarHBondContact O-N 3.27Å; M141-Q145 HydrophobicContact SD-CG 3.67Å; F142-Q145 CarbonylContact O-C 3.58Å; F142-Q145 PolarHBondContact O-N 2.95Å; E143-Q145 PolarHBondContact O-N 2.78Å; Q145-V147 HydrophobicContact CB-CG2 4.44Å
146	G	97.9	Very high	96.6	Very high	63 Å²	63	62.7 Å²	62.7	65%	0.649	35%	0.347	S	S	*	.	T	Hydrogen-bonded Turn	trans	72.7	25.7	177	0	0	0	0	0	114.7	F142 E143	F142-G146 PolarHBondContact O-N 2.79Å; E143-G146 PolarHBondContact O-N 3.04Å
147	V	98.6	Very high	95.9	Very high	19 Å²	19	67.8 Å²	67.8	12%	0.115	37%	0.371	C	S	.	.	P	Polyproline II helix	trans	-70.6	137.8	176.8	175.7	0	0	0	0	110.7	F48 I52 F142 Q145 F149 I164	F48-V147 HydrophobicContact CE2-CG1 4.22Å; F48-V147 HydrophobicContact CE2-CG2 4.39Å; I52-V147 HydrophobicContact CD1-CG2 4.43Å; I52-V147 HydrophobicContact CG2-CG2 3.73Å; F142-V147 HydrophobicContact CB-CB 3.87Å; F142-V147 HydrophobicContact CB-CG1 4.28Å; F142-V147 HydrophobicContact CB-CG2 3.95Å; F142-V147 HydrophobicContact CD1-CG2 4.39Å; F142-V147 HydrophobicContact CG-CG2 4.47Å; F142-V147 VanDerWaalsContact O-CB 3.29Å; F142-V147 WeakPolarHBondContact O-CB 3.46Å; F142-V147 WeakPolarHBondContact O-CG2 3.44Å; F142-V147 PolarHBondContact O-N 3.04Å; Q145-V147 HydrophobicContact CB-CG2 4.44Å; V147-F149 WeakPolarHBondContact O-CD2 3.31Å; V147-I164 HydrophobicContact CG1-CB 3.78Å; V147-I164 HydrophobicContact CG1-CD1 4.08Å; V147-I164 HydrophobicContact CG1-CG1 4.45Å; V147-I164 HydrophobicContact CG1-CG2 3.94Å
148	T	98.6	Very high	95.3	Very high	80 Å²	80	69.9 Å²	69.9	49%	0.491	37%	0.373	S	S	.	.	P	Polyproline II helix	trans	-76.1	129.7	176.7	-56.2	0	0	0	0	111.3	I164 Q165	T148-I164 CarbonylContact O-C 3.54Å; T148-I164 VanDerWaalsContact O-CA 3.31Å; T148-I164 WeakPolarHBondContact O-CA 3.43Å; T148-Q165 HydrophobicContact CG2-CG 4.42Å; T148-Q165 VanDerWaalsContact CG2-OE1 3.27Å; T148-Q165 PolarHBondContact O-N 2.93Å
149	F	98.6	Very high	94.9	Very high	42 Å²	42	74 Å²	74	18%	0.184	39%	0.388	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-101.4	135.1	174.4	-76.8	-99.5	0	0	0	111.4	C139 F142 E143 V147 K152 A162 I164	C139-F149 HydrophobicContact CB-CE1 3.91Å; C139-F149 HydrophobicContact CB-CZ 3.85Å; F142-F149 HydrophobicContact CB-CE2 4.08Å; F142-F149 HydrophobicContact CB-CZ 3.85Å; F142-F149 HydrophobicContact CD2-CZ 4.45Å; E143-F149 HydrophobicContact CB-CE2 4.3Å; V147-F149 WeakPolarHBondContact O-CD2 3.31Å; F149-K152 HydrophobicContact CB-CG 4.14Å; F149-K152 HydrophobicContact CD1-CG 4.02Å; F149-K152 HydrophobicContact CG-CG 4.06Å; F149-A162 HydrophobicContact CE1-CB 4.32Å; F149-I164 HydrophobicContact CD1-CG2 3.77Å; F149-I164 HydrophobicContact CE1-CG2 3.63Å; F149-I164 HydrophobicContact CE2-CG2 4.38Å; F149-I164 HydrophobicContact CG-CG2 4.23Å; F149-I164 HydrophobicContact CZ-CG2 3.96Å
150	V	97.8	Very high	94.6	Very high	52 Å²	52	74 Å²	74	32%	0.315	39%	0.388	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-83.3	-38.8	162.3	-178.8	0	0	0	0	109.9	F163 Q165 W171	V150-F163 HydrophobicContact CB-CB 3.84Å; V150-F163 HydrophobicContact CG1-CB 4.44Å; V150-F163 HydrophobicContact CG2-CB 4.47Å; V150-F163 PolarHBondContact N-O 2.69Å; V150-Q165 HydrophobicContact CG2-CG 3.39Å; V150-W171 HydrophobicContact CB-CD2 4.43Å; V150-W171 HydrophobicContact CB-CZ2 4.48Å; V150-W171 HydrophobicContact CG1-CD2 3.95Å; V150-W171 HydrophobicContact CG1-CE3 4.03Å; V150-W171 HydrophobicContact CG1-CH2 3.49Å; V150-W171 VanDerWaalsContact CG1-CH2 3.49Å; V150-W171 HydrophobicContact CG1-CZ2 3.38Å; V150-W171 HydrophobicContact CG1-CZ3 3.81Å; V150-W171 HydrophobicContact CG2-CD2 3.96Å; V150-W171 HydrophobicContact CG2-CG 4.01Å; V150-W171 HydrophobicContact CG2-CZ2 4.31Å
151	K	96.8	Very high	94.4	Very high	32 Å²	32	68.1 Å²	68.1	14%	0.139	36%	0.363	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-148.4	122.9	180	-177.1	-161.9	174.7	-63.6	0	109.3	P153 D155 M158 L161 A162 F163	K151-P153 PolarHBondContact NZ-O 3.23Å; K151-D155 WeakPolarHBondContact CE-O 3.48Å; K151-D155 HydrophobicContact CG-CB 3.92Å; K151-D155 PolarHBondContact NZ-O 3Å; K151-M158 PolarHBondContact NZ-O 3.34Å; K151-L161 PolarHBondContact NZ-O 2.78Å; K151-A162 WeakPolarHBondContact O-CA 3.35Å; K151-A162 WeakPolarHBondContact O-CB 3.14Å; K151-F163 HydrophobicContact CB-CB 4.23Å; K151-F163 HydrophobicContact CB-CD2 4.3Å; K151-F163 HydrophobicContact CD-CD2 4.19Å; K151-F163 PolarHBondContact N-O 2.63Å; K151-F163 VanDerWaalsContact N-O 3.12Å; K151-F163 PolarHBondContact O-N 2.78Å
152	K	96.7	Very high	94.4	Very high	79 Å²	79	64.9 Å²	64.9	34%	0.343	35%	0.347	S	S	.	.			trans	-75.8	162	171.4	-64	-168	176.6	-169.4	0	111.5	E143 F149 D154 D155	E143-K152 IonicContact OE1-NZ 2.61Å; E143-K152 PolarHBondContact OE1-NZ 3.29Å; F149-K152 HydrophobicContact CB-CG 4.14Å; F149-K152 HydrophobicContact CD1-CG 4.02Å; F149-K152 HydrophobicContact CG-CG 4.06Å; K152-D154 PolarHBondContact O-N 2.66Å; K152-D154 VanDerWaalsContact O-N 3.07Å; K152-D155 VanDerWaalsContact CB-OD2 3.28Å; K152-D155 WeakPolarHBondContact CB-OD2 3.24Å; K152-D155 PolarHBondContact N-OD2 3.08Å; K152-D155 PolarHBondContact O-N 3.17Å
153	P	94.3	Very high	94.3	Very high	13 Å²	13	65.6 Å²	65.6	8%	0.084	35%	0.35	C	S	.	.	T	Hydrogen-bonded Turn	trans	-50	-39.1	-176.8	-30.3	35.9	0	0	0	114.2	V135 Y136 C139 K151 K159 G160 L161 A162	V135-P153 HydrophobicContact CG1-CB 4.26Å; V135-P153 HydrophobicContact CG1-CG 4.08Å; Y136-P153 HydrophobicContact CD1-CB 3.83Å; Y136-P153 HydrophobicContact CD1-CG 4.29Å; Y136-P153 HydrophobicContact CE1-CB 3.62Å; C139-P153 HydrophobicContact CB-CG 3.67Å; C139-P153 VanDerWaalsContact SG-CG 3.55Å; K151-P153 PolarHBondContact NZ-O 3.23Å; P153-K159 CarbonylContact O-C 3.51Å; P153-K159 WeakPolarHBondContact O-CA 3.22Å; P153-G160 PolarHBondContact O-N 2.89Å; P153-L161 WeakPolarHBondContact CA-O 3.18Å; P153-A162 HydrophobicContact CG-CB 4.06Å
154	D	93.1	Very high	94.4	Very high	84 Å²	84	60.5 Å²	60.5	45%	0.449	33%	0.326	S	S	.	.	T	Hydrogen-bonded Turn	trans	-100.1	5.9	-176.4	-67.9	-39.4	0	0	0	114.7	Y136 K152 K159	Y136-D154 PolarHBondContact OH-OD1 3.38Å; K152-D154 PolarHBondContact O-N 2.66Å; K152-D154 VanDerWaalsContact O-N 3.07Å; D154-K159 HydrophobicContact CB-CD 4.35Å; D154-K159 PolarHBondContact O-NZ 3.03Å
155	D	90.1	Very high	94.4	Very high	79 Å²	79	56.7 Å²	56.7	42%	0.422	31%	0.309	S	S	.	.	S	Bend	trans	-77.1	145.9	175.6	-67.6	-21.7	0	0	0	111.1	K151 K152	K151-D155 WeakPolarHBondContact CE-O 3.48Å; K151-D155 HydrophobicContact CG-CB 3.92Å; K151-D155 PolarHBondContact NZ-O 3Å; K152-D155 VanDerWaalsContact CB-OD2 3.28Å; K152-D155 WeakPolarHBondContact CB-OD2 3.24Å; K152-D155 PolarHBondContact N-OD2 3.08Å; K152-D155 PolarHBondContact O-N 3.17Å
156	G	85.5	Confident	94.4	Very high	57 Å²	57	52.5 Å²	52.5	59%	0.588	29%	0.289	S	S	*	.	S	Bend	trans	68.9	-157.8	176.9	0	0	0	0	0	114.4	K159	G156-K159 WeakPolarHBondContact O-CE 3.37Å; G156-K159 PolarHBondContact O-NZ 2.85Å
157	K	81.6	Confident	94.5	Very high	208 Å²	208	52.5 Å²	52.5	90%	0.904	28%	0.278	S	S	*	.	S	Bend	trans	-83.5	-38.9	-174.4	-67.4	-174.9	179.2	-178.8	0	113.5	K159	K157-K159 PolarHBondContact O-N 3.36Å
158	M	84.6	Confident	94.5	Very high	98 Å²	98	52.8 Å²	52.8	48%	0.483	28%	0.279	S	S	.	.	S	Bend	trans	-83.8	103.4	179.2	-64	-175.8	-70.9	0	0	109.4	K151 L161 I183	K151-M158 PolarHBondContact NZ-O 3.34Å; M158-L161 HydrophobicContact CE-CD2 4.34Å; M158-I183 HydrophobicContact CB-CG2 4.13Å; M158-I183 HydrophobicContact CG-CG2 3.88Å; M158-I183 HydrophobicContact SD-CG2 3.95Å
159	K	89.8	Confident	94.5	Very high	105 Å²	105	49.6 Å²	49.6	46%	0.457	26%	0.262	S	S	.	.	T	Hydrogen-bonded Turn	trans	-83.9	150.5	176.9	-55.1	-56.7	-173.2	-166.2	0	110.6	P153 D154 G156 K157 L161 I183	P153-K159 CarbonylContact O-C 3.51Å; P153-K159 WeakPolarHBondContact O-CA 3.22Å; D154-K159 HydrophobicContact CB-CD 4.35Å; D154-K159 PolarHBondContact O-NZ 3.03Å; G156-K159 WeakPolarHBondContact O-CE 3.37Å; G156-K159 PolarHBondContact O-NZ 2.85Å; K157-K159 PolarHBondContact O-N 3.36Å; K159-L161 VanDerWaalsContact C-N 3.33Å; K159-I183 VanDerWaalsContact O-CD1 3.24Å; K159-I183 WeakPolarHBondContact O-CD1 3.39Å
160	G	91.5	Very high	94.5	Very high	4 Å²	4	48.6 Å²	48.6	4%	0.041	26%	0.257	C	S	.	.	T	Hydrogen-bonded Turn	trans	75.1	19.6	179.1	0	0	0	0	0	114.9	Y136 P153	Y136-G160 WeakPolarHBondContact OH-CA 3.37Å; Y136-G160 PolarHBondContact OH-N 2.97Å; P153-G160 PolarHBondContact O-N 2.89Å
161	L	95.1	Very high	94.5	Very high	4 Å²	4	49.5 Å²	49.5	2%	0.021	26%	0.255	C	S	.	.			trans	-133.5	135	176.5	-176.9	74.5	0	0	0	109.8	K151 P153 M158 K159 F163 E173 L175 M180 I183	K151-L161 PolarHBondContact NZ-O 2.78Å; P153-L161 WeakPolarHBondContact CA-O 3.18Å; M158-L161 HydrophobicContact CE-CD2 4.34Å; K159-L161 VanDerWaalsContact C-N 3.33Å; L161-F163 HydrophobicContact CD2-CE2 4.08Å; L161-F163 HydrophobicContact CG-CE2 4.47Å; L161-E173 HydrophobicContact CD1-CG 3.88Å; L161-E173 VanDerWaalsContact CD1-OE1 3.29Å; L161-E173 WeakPolarHBondContact CD1-OE1 3.41Å; L161-L175 HydrophobicContact CD1-CB 3.57Å; L161-M180 HydrophobicContact CD1-SD 4.02Å; L161-I183 HydrophobicContact CB-CD1 4.21Å
162	A	97.8	Very high	94.6	Very high	0 Å²	0	48 Å²	48	0%	0	25%	0.248	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-129.6	160.5	-179.9	0	0	0	0	0	113.1	V135 C139 F149 K151 P153 I174	V135-A162 HydrophobicContact CG1-CB 4.37Å; C139-A162 VanDerWaalsContact SG-CB 3.51Å; F149-A162 HydrophobicContact CE1-CB 4.32Å; K151-A162 WeakPolarHBondContact O-CA 3.35Å; K151-A162 WeakPolarHBondContact O-CB 3.14Å; P153-A162 HydrophobicContact CG-CB 4.06Å; A162-I174 HydrophobicContact CB-CB 4.32Å; A162-I174 PolarHBondContact N-O 2.68Å; A162-I174 VanDerWaalsContact N-O 3.13Å; A162-I174 PolarHBondContact O-N 3.33Å
163	F	98.5	Very high	94.7	Very high	25 Å²	25	45.7 Å²	45.7	11%	0.11	24%	0.239	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-129.8	125.9	169.2	-75.2	-92.2	0	0	0	109.3	H127 V150 K151 L161 W171 I172 E173	H127-F163 HydrophobicContact CB-CE1 4.29Å; H127-F163 AromaticContact CE1-CE1 3.79Å; H127-F163 AromaticContact CG-CE1 3.72Å; H127-F163 AromaticContact ND1-CE1 3.58Å; V150-F163 HydrophobicContact CB-CB 3.84Å; V150-F163 HydrophobicContact CG1-CB 4.44Å; V150-F163 HydrophobicContact CG2-CB 4.47Å; V150-F163 PolarHBondContact N-O 2.69Å; K151-F163 HydrophobicContact CB-CB 4.23Å; K151-F163 HydrophobicContact CB-CD2 4.3Å; K151-F163 HydrophobicContact CD-CD2 4.19Å; K151-F163 PolarHBondContact N-O 2.63Å; K151-F163 VanDerWaalsContact N-O 3.12Å; K151-F163 PolarHBondContact O-N 2.78Å; L161-F163 HydrophobicContact CD2-CE2 4.08Å; L161-F163 HydrophobicContact CG-CE2 4.47Å; F163-W171 HydrophobicContact CD1-CB 4.36Å; F163-W171 HydrophobicContact CD1-CE3 4.18Å; F163-I172 WeakPolarHBondContact CA-O 3.26Å; F163-E173 HydrophobicContact CD1-CB 4Å; F163-E173 HydrophobicContact CD1-CG 4.45Å; F163-E173 HydrophobicContact CE1-CB 3.5Å; F163-E173 VanDerWaalsContact CE1-CB 3.5Å; F163-E173 HydrophobicContact CE1-CG 3.79Å; F163-E173 HydrophobicContact CE2-CG 4.17Å; F163-E173 HydrophobicContact CZ-CB 3.9Å; F163-E173 HydrophobicContact CZ-CG 3.62Å
164	I	98.8	Very high	94.9	Very high	0 Å²	0	45 Å²	45	0%	0	24%	0.235	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-109.7	169.3	172.6	65.6	175.8	0	0	0	110.4	F48 L53 F142 V147 T148 F149 W171 I172 I174	F48-I164 HydrophobicContact CZ-CD1 4.01Å; L53-I164 HydrophobicContact CD2-CD1 4.09Å; F142-I164 HydrophobicContact CD2-CD1 4.28Å; F142-I164 HydrophobicContact CD2-CG2 4.14Å; F142-I164 HydrophobicContact CE2-CD1 4.17Å; F142-I164 HydrophobicContact CZ-CD1 4.44Å; V147-I164 HydrophobicContact CG1-CB 3.78Å; V147-I164 HydrophobicContact CG1-CD1 4.08Å; V147-I164 HydrophobicContact CG1-CG1 4.45Å; V147-I164 HydrophobicContact CG1-CG2 3.94Å; T148-I164 CarbonylContact O-C 3.54Å; T148-I164 VanDerWaalsContact O-CA 3.31Å; T148-I164 WeakPolarHBondContact O-CA 3.43Å; F149-I164 HydrophobicContact CD1-CG2 3.77Å; F149-I164 HydrophobicContact CE1-CG2 3.63Å; F149-I164 HydrophobicContact CE2-CG2 4.38Å; F149-I164 HydrophobicContact CG-CG2 4.23Å; F149-I164 HydrophobicContact CZ-CG2 3.96Å; I164-W171 WeakPolarHBondContact O-CA 3.33Å; I164-I172 HydrophobicContact CD1-CB 4.46Å; I164-I172 HydrophobicContact CG1-CB 3.83Å; I164-I172 HydrophobicContact CG1-CG2 4.39Å; I164-I172 PolarHBondContact N-O 2.84Å; I164-I172 PolarHBondContact O-N 3.3Å; I164-I174 HydrophobicContact CD1-CD1 4.06Å; I164-I174 HydrophobicContact CD1-CG1 4.37Å; I164-I174 HydrophobicContact CG1-CD1 4.36Å; I164-I174 HydrophobicContact CG1-CG1 4.34Å; I164-I174 HydrophobicContact CG2-CG1 4.46Å
165	Q	98.8	Very high	95.1	Very high	51 Å²	51	42.6 Å²	42.6	24%	0.238	22%	0.222	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-112.1	142.6	171.1	-58.9	-170.6	-78.7	0	0	111.6	F48 T148 V150 G169 Y170	F48-Q165 WeakPolarHBondContact CZ-O 3.26Å; T148-Q165 HydrophobicContact CG2-CG 4.42Å; T148-Q165 VanDerWaalsContact CG2-OE1 3.27Å; T148-Q165 PolarHBondContact O-N 2.93Å; V150-Q165 HydrophobicContact CG2-CG 3.39Å; Q165-G169 PolarHBondContact NE2-O 2.91Å; Q165-G169 VanDerWaalsContact NE2-O 3.08Å; Q165-Y170 VanDerWaalsContact CA-O 3.32Å; Q165-Y170 WeakPolarHBondContact CA-O 3.14Å
166	D	98.9	Very high	95.4	Very high	8 Å²	8	39 Å²	39	4%	0.043	20%	0.203	C	C	.	.			trans	-78	177.3	162.9	89.1	-25.3	0	0	0	111.1	F48 Y49 D168 G169 Y170 I172	F48-D166 HydrophobicContact CD1-CB 3.94Å; F48-D166 HydrophobicContact CE1-CB 3.64Å; F48-D166 HydrophobicContact CZ-CB 4.2Å; Y49-D166 HydrophobicContact CE2-CB 4.27Å; Y49-D166 PolarHBondContact OH-OD2 2.93Å; D166-D168 PolarHBondContact O-N 2.67Å; D166-D168 WeakPolarHBondContact OD1-CA 3.25Å; D166-D168 PolarHBondContact OD1-N 3.31Å; D166-G169 PolarHBondContact O-N 3.36Å; D166-G169 PolarHBondContact OD1-N 3.37Å; D166-Y170 PolarHBondContact N-O 2.86Å; D166-Y170 VanDerWaalsContact N-O 3.08Å; D166-Y170 WeakPolarHBondContact OD1-CB 3.42Å; D166-Y170 PolarHBondContact OD1-N 3.08Å; D166-I172 HydrophobicContact CB-CD1 4.13Å
167	P	98.8	Very high	95.6	Very high	63 Å²	63	39.9 Å²	39.9	41%	0.409	20%	0.198	S	C	.	.	T	Hydrogen-bonded Turn	trans	-60.6	-23.5	-179.8	-26.8	37.3	0	0	0	115.3	K44 F48	K44-P167 HydrophobicContact CB-CB 4Å; K44-P167 HydrophobicContact CB-CG 4.15Å; F48-P167 HydrophobicContact CB-CG 3.74Å; F48-P167 HydrophobicContact CD2-CG 4.49Å; F48-P167 HydrophobicContact CG-CG 4.11Å
168	D	98.8	Very high	95.8	Very high	24 Å²	24	36.1 Å²	36.1	13%	0.128	19%	0.188	C	C	.	.	T	Hydrogen-bonded Turn	trans	-93.1	-0.7	177.7	-74.1	-85.8	0	0	0	112.2	V39 K40 S45 D166 Y170	V39-D168 WeakPolarHBondContact CA-OD2 3.18Å; V39-D168 WeakPolarHBondContact CB-OD2 3.32Å; K40-D168 WeakPolarHBondContact CB-OD1 3.38Å; K40-D168 PolarHBondContact N-OD1 3.47Å; K40-D168 PolarHBondContact N-OD2 2.89Å; S45-D168 PolarHBondContact OG-OD2 2.92Å; D166-D168 PolarHBondContact O-N 2.67Å; D166-D168 WeakPolarHBondContact OD1-CA 3.25Å; D166-D168 PolarHBondContact OD1-N 3.31Å; D168-Y170 HydrophobicContact CB-CD2 3.8Å; D168-Y170 HydrophobicContact CB-CE2 3.84Å
169	G	98.6	Very high	95.7	Very high	14 Å²	14	34.1 Å²	34.1	14%	0.144	18%	0.179	C	C	.	.			trans	84.8	7.1	177.4	0	0	0	0	0	114.5	N117 Q165 D166	N117-G169 WeakPolarHBondContact CB-O 3.33Å; N117-G169 PolarHBondContact ND2-O 2.85Å; Q165-G169 PolarHBondContact NE2-O 2.91Å; Q165-G169 VanDerWaalsContact NE2-O 3.08Å; D166-G169 PolarHBondContact O-N 3.36Å; D166-G169 PolarHBondContact OD1-N 3.37Å
170	Y	98.9	Very high	95.4	Very high	20 Å²	20	31.4 Å²	31.4	8%	0.078	17%	0.168	C	C	.	.			trans	-63.2	138	171.8	-68.2	-69.1	0	0	0	110.5	L37 R38 N117 F125 Q165 D166 D168	L37-Y170 HydrophobicContact CB-CD2 4.43Å; L37-Y170 HydrophobicContact CB-CE2 4.14Å; L37-Y170 HydrophobicContact CD1-CD2 4.25Å; L37-Y170 HydrophobicContact CD1-CG 4.31Å; L37-Y170 HydrophobicContact CD2-CD1 4.14Å; L37-Y170 HydrophobicContact CD2-CE1 4.08Å; L37-Y170 HydrophobicContact CD2-CE2 4.5Å; L37-Y170 HydrophobicContact CD2-CG 4.36Å; R38-Y170 VanDerWaalsContact O-CE2 3.3Å; R38-Y170 WeakPolarHBondContact O-CE2 3.19Å; R38-Y170 PolarHBondContact O-OH 3.2Å; N117-Y170 HydrophobicContact CB-CD1 3.94Å; N117-Y170 HydrophobicContact CB-CE1 4.4Å; F125-Y170 HydrophobicContact CD1-CD1 4.1Å; F125-Y170 HydrophobicContact CD1-CE1 4.39Å; F125-Y170 AromaticContact CE1-CD1 3.76Å; F125-Y170 HydrophobicContact CE1-CD1 3.76Å; F125-Y170 HydrophobicContact CE1-CE1 4.39Å; Q165-Y170 VanDerWaalsContact CA-O 3.32Å; Q165-Y170 WeakPolarHBondContact CA-O 3.14Å; D166-Y170 PolarHBondContact N-O 2.86Å; D166-Y170 VanDerWaalsContact N-O 3.08Å; D166-Y170 WeakPolarHBondContact OD1-CB 3.42Å; D166-Y170 PolarHBondContact OD1-N 3.08Å; D168-Y170 HydrophobicContact CB-CD2 3.8Å; D168-Y170 HydrophobicContact CB-CE2 3.84Å
171	W	98.8	Very high	94.8	Very high	71 Å²	71	35.7 Å²	35.7	27%	0.269	19%	0.193	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-80.6	139.2	-179.4	-68.8	17.5	0	0	0	109.7	N119 H127 I128 V150 F163 I164	N119-W171 HydrophobicContact CB-CD2 4.24Å; N119-W171 HydrophobicContact CB-CH2 4.22Å; N119-W171 HydrophobicContact CB-CZ2 3.84Å; H127-W171 WeakPolarHBondContact CA-O 3.33Å; H127-W171 HydrophobicContact CB-CB 3.81Å; H127-W171 WeakPolarHBondContact CB-O 3.41Å; I128-W171 PolarHBondContact N-O 3.35Å; V150-W171 HydrophobicContact CB-CD2 4.43Å; V150-W171 HydrophobicContact CB-CZ2 4.48Å; V150-W171 HydrophobicContact CG1-CD2 3.95Å; V150-W171 HydrophobicContact CG1-CE3 4.03Å; V150-W171 HydrophobicContact CG1-CH2 3.49Å; V150-W171 VanDerWaalsContact CG1-CH2 3.49Å; V150-W171 HydrophobicContact CG1-CZ2 3.38Å; V150-W171 HydrophobicContact CG1-CZ3 3.81Å; V150-W171 HydrophobicContact CG2-CD2 3.96Å; V150-W171 HydrophobicContact CG2-CG 4.01Å; V150-W171 HydrophobicContact CG2-CZ2 4.31Å; F163-W171 HydrophobicContact CD1-CB 4.36Å; F163-W171 HydrophobicContact CD1-CE3 4.18Å; I164-W171 WeakPolarHBondContact O-CA 3.33Å
172	I	98.9	Very high	93.9	Very high	0 Å²	0	39.9 Å²	39.9	0%	0	22%	0.223	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-127.2	116.4	175.1	-55.4	-179.7	0	0	0	107.8	F48 Y49 L53 I128 I130 F163 I164 D166 I174	F48-I172 HydrophobicContact CE1-CD1 3.7Å; F48-I172 HydrophobicContact CZ-CD1 4.23Å; Y49-I172 HydrophobicContact CE1-CD1 4.02Å; L53-I172 HydrophobicContact CD1-CD1 3.75Å; I128-I172 HydrophobicContact CD1-CD1 4.2Å; I128-I172 HydrophobicContact CD1-CG1 4.14Å; I128-I172 HydrophobicContact CG1-CB 4.37Å; I128-I172 HydrophobicContact CG1-CD1 4.45Å; I128-I172 HydrophobicContact CG1-CG1 3.84Å; I128-I172 HydrophobicContact CG1-CG2 4.19Å; I128-I172 CarbonylContact O-C 3.59Å; I128-I172 WeakPolarHBondContact O-CA 3.49Å; I130-I172 HydrophobicContact CG1-CG2 3.67Å; F163-I172 WeakPolarHBondContact CA-O 3.26Å; I164-I172 HydrophobicContact CD1-CB 4.46Å; I164-I172 HydrophobicContact CG1-CB 3.83Å; I164-I172 HydrophobicContact CG1-CG2 4.39Å; I164-I172 PolarHBondContact N-O 2.84Å; I164-I172 PolarHBondContact O-N 3.3Å; D166-I172 HydrophobicContact CB-CD1 4.13Å; I172-I174 HydrophobicContact CG2-CD1 4.09Å
173	E	98.5	Very high	92.8	Very high	31 Å²	31	41.9 Å²	41.9	15%	0.145	23%	0.233	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-75.7	133.5	175.6	-170.6	176.5	-168.4	0	0	110.1	H127 I128 I130 L161 F163 L175	H127-E173 IonicContact CD2-OE2 3.72Å; H127-E173 IonicContact NE2-OE2 2.69Å; H127-E173 PolarHBondContact NE2-OE2 2.84Å; I128-E173 PolarHBondContact O-N 3.37Å; I130-E173 PolarHBondContact N-O 3.4Å; L161-E173 HydrophobicContact CD1-CG 3.88Å; L161-E173 VanDerWaalsContact CD1-OE1 3.29Å; L161-E173 WeakPolarHBondContact CD1-OE1 3.41Å; F163-E173 HydrophobicContact CD1-CB 4Å; F163-E173 HydrophobicContact CD1-CG 4.45Å; F163-E173 HydrophobicContact CE1-CB 3.5Å; F163-E173 VanDerWaalsContact CE1-CB 3.5Å; F163-E173 HydrophobicContact CE1-CG 3.79Å; F163-E173 HydrophobicContact CE2-CG 4.17Å; F163-E173 HydrophobicContact CZ-CB 3.9Å; F163-E173 HydrophobicContact CZ-CG 3.62Å; E173-L175 HydrophobicContact CG-CB 4.49Å; E173-L175 HydrophobicContact CG-CD2 4.13Å
174	I	98.4	Very high	91.8	Very high	0 Å²	0	45.8 Å²	45.8	0%	0	26%	0.26	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-115.4	111.6	175	-50.7	-62.9	0	0	0	107.8	I130 V132 V135 A138 F142 A162 I164 I172	I130-I174 HydrophobicContact CB-CD1 4.17Å; V132-I174 HydrophobicContact CG1-CG2 4.18Å; V132-I174 HydrophobicContact CG2-CG2 3.67Å; V135-I174 HydrophobicContact CG1-CG2 4.33Å; A138-I174 HydrophobicContact CB-CG2 4.47Å; F142-I174 HydrophobicContact CE2-CD1 3.85Å; F142-I174 HydrophobicContact CE2-CG1 3.92Å; F142-I174 HydrophobicContact CE2-CG2 4.31Å; F142-I174 HydrophobicContact CZ-CD1 4.27Å; A162-I174 HydrophobicContact CB-CB 4.32Å; A162-I174 PolarHBondContact N-O 2.68Å; A162-I174 VanDerWaalsContact N-O 3.13Å; A162-I174 PolarHBondContact O-N 3.33Å; I164-I174 HydrophobicContact CD1-CD1 4.06Å; I164-I174 HydrophobicContact CD1-CG1 4.37Å; I164-I174 HydrophobicContact CG1-CD1 4.36Å; I164-I174 HydrophobicContact CG1-CG1 4.34Å; I164-I174 HydrophobicContact CG2-CG1 4.46Å; I172-I174 HydrophobicContact CG2-CD1 4.09Å
175	L	96.8	Very high	90.4	Very high	33 Å²	33	52.6 Å²	52.6	17%	0.173	31%	0.307	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-133	154.1	-172	67.6	89	0	0	0	111.5	I130 A131 V132 L161 E173 P177 M180	I130-L175 PolarHBondContact O-N 3.4Å; I130-L175 VanDerWaalsContact O-N 3.16Å; A131-L175 CarbonylContact C-O 3.52Å; A131-L175 VanDerWaalsContact CA-O 3.28Å; A131-L175 WeakPolarHBondContact CA-O 3.5Å; A131-L175 HydrophobicContact CB-CD1 4.05Å; V132-L175 PolarHBondContact N-O 3.16Å; L161-L175 HydrophobicContact CD1-CB 3.57Å; E173-L175 HydrophobicContact CG-CB 4.49Å; E173-L175 HydrophobicContact CG-CD2 4.13Å; L175-P177 HydrophobicContact CD1-CG 4.35Å; L175-M180 HydrophobicContact CB-CG 4.38Å; L175-M180 HydrophobicContact CB-SD 4.23Å; L175-M180 HydrophobicContact CD1-CG 4.25Å
176	S	95.5	Very high	90	Very high	4 Å²	4	52.7 Å²	52.7	3%	0.028	31%	0.311	C	S	.	.			trans	-113.8	124.7	165.8	171.8	0	0	0	0	108.5	V132 P133 N178 N179 M180	V132-S176 WeakPolarHBondContact O-CA 3.17Å; V132-S176 WeakPolarHBondContact O-CB 3.45Å; P133-S176 PolarHBondContact O-OG 3.41Å; S176-N178 PolarHBondContact O-N 3.38Å; S176-N178 VanDerWaalsContact O-N 3.16Å; S176-N179 PolarHBondContact O-N 2.7Å; S176-M180 WeakPolarHBondContact O-CG 3.45Å; S176-M180 PolarHBondContact O-N 2.99Å
177	P	90.5	Very high	89.5	Confident	74 Å²	74	55.1 Å²	55.1	48%	0.481	33%	0.325	S	S	.	.	H	α-helix	trans	-54.6	-36.5	-178.6	-27.6	35.2	0	0	0	113.3	A131 L175 M180	A131-P177 HydrophobicContact CB-CG 4.11Å; L175-P177 HydrophobicContact CD1-CG 4.35Å; P177-M180 PolarHBondContact O-N 3.34Å
178	N	86.1	Confident	89	Confident	130 Å²	130	54.6 Å²	54.6	70%	0.695	32%	0.32	S	S	*	.	H	α-helix	trans	-69.3	-37.1	178.1	-66.5	-22.2	0	0	0	112.1	S176 M180	S176-N178 PolarHBondContact O-N 3.38Å; S176-N178 VanDerWaalsContact O-N 3.16Å; N178-M180 VanDerWaalsContact C-N 3.34Å
179	N	82	Confident	88.5	Confident	56 Å²	56	56.4 Å²	56.4	30%	0.299	33%	0.331	S	S	.	.	H	α-helix	trans	-71.5	-32.3	176.7	-69.4	-0.6	0	0	0	111.7	S176 V181 S182 I183	S176-N179 PolarHBondContact O-N 2.7Å; N179-V181 PolarHBondContact O-N 3.34Å; N179-S182 PolarHBondContact O-N 2.84Å; N179-I183 PolarHBondContact O-N 2.85Å
180	M	84.2	Confident	87.8	Confident	47 Å²	47	59.1 Å²	59.1	23%	0.232	34%	0.343	C	S	.	.	H	α-helix	trans	-58.5	-34.9	178.1	-69.8	-54.1	-64.3	0	0	111.9	L161 L175 S176 P177 N178 S182 I183 T184	L161-M180 HydrophobicContact CD1-SD 4.02Å; L175-M180 HydrophobicContact CB-CG 4.38Å; L175-M180 HydrophobicContact CB-SD 4.23Å; L175-M180 HydrophobicContact CD1-CG 4.25Å; S176-M180 WeakPolarHBondContact O-CG 3.45Å; S176-M180 PolarHBondContact O-N 2.99Å; P177-M180 PolarHBondContact O-N 3.34Å; N178-M180 VanDerWaalsContact C-N 3.34Å; M180-S182 PolarHBondContact O-N 3.37Å; M180-I183 PolarHBondContact O-N 3.47Å; M180-I183 HydrophobicContact SD-CD1 3.99Å; M180-T184 HydrophobicContact CE-CG2 4.02Å; M180-T184 WeakPolarHBondContact O-CG2 3.24Å; M180-T184 PolarHBondContact O-N 2.86Å; M180-T184 PolarHBondContact O-OG1 2.87Å
181	V	78.1	Confident	87.1	Confident	94 Å²	94	61.7 Å²	61.7	57%	0.57	36%	0.361	S	S	*	.	H	α-helix	trans	-53	-44	174.8	-179.4	0	0	0	0	111.4	N179 S185	N179-V181 PolarHBondContact O-N 3.34Å; V181-S185 WeakPolarHBondContact O-CB 3.43Å; V181-S185 PolarHBondContact O-N 2.98Å; V181-S185 PolarHBondContact O-OG 3.24Å
182	S	76.6	Confident	86.2	Confident	92 Å²	92	61 Å²	61	64%	0.643	37%	0.367	S	S	*	.	H	α-helix	trans	-75.7	-21.9	179.8	-54.2	0	0	0	0	114.1	N179 M180	N179-S182 PolarHBondContact O-N 2.84Å; M180-S182 PolarHBondContact O-N 3.37Å
183	I	74.6	Confident	85.3	Confident	42 Å²	42	65.7 Å²	65.7	22%	0.215	40%	0.396	C	S	.	.	H	α-helix	trans	-85	-33.1	179.9	-63.7	169.2	0	0	0	110.6	M158 K159 L161 N179 M180	M158-I183 HydrophobicContact CB-CG2 4.13Å; M158-I183 HydrophobicContact CG-CG2 3.88Å; M158-I183 HydrophobicContact SD-CG2 3.95Å; K159-I183 VanDerWaalsContact O-CD1 3.24Å; K159-I183 WeakPolarHBondContact O-CD1 3.39Å; L161-I183 HydrophobicContact CB-CD1 4.21Å; N179-I183 PolarHBondContact O-N 2.85Å; M180-I183 PolarHBondContact O-N 3.47Å; M180-I183 HydrophobicContact SD-CD1 3.99Å
184	T	77.8	Confident	84.2	Confident	108 Å²	108	68.6 Å²	68.6	66%	0.663	42%	0.417	S	S	*	.	H	α-helix	trans	-100	-7.3	-174.2	62.1	0	0	0	0	114.2	M180	M180-T184 HydrophobicContact CE-CG2 4.02Å; M180-T184 WeakPolarHBondContact O-CG2 3.24Å; M180-T184 PolarHBondContact O-N 2.86Å; M180-T184 PolarHBondContact O-OG1 2.87Å
185	S	69.5	Low	82.9	Confident	143 Å²	143	74.8 Å²	74.8	100%	1	45%	0.454	S	S	*	.			trans	-86.4	0	172.9	64.6	0	0	0	0	111.9	V181	V181-S185 WeakPolarHBondContact O-CB 3.43Å; V181-S185 PolarHBondContact O-N 2.98Å; V181-S185 PolarHBondContact O-OG 3.24Å

Retrieved 185 of 185 residues in 62.9 ms (Link to these results)

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