A0A087YJ12_POEFO Loading...

Phosphatidylinositol-4-phosphate 5-kinase, type I, beta b

AlphaFold DB , UniProt , Accession A0A087YJ12, Species POEFO (Poecilia formosa, Amazon molly), Gene n/a, Length 391 aa.

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(Predicted Aligned Error values between residue pairs)

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Site	Residue	pLDDT	pLDDT confidence	pLDDT₁₀	pLDDT10 confidence	SASA	SASA [Å²]	SASA₁₀	SASA10 [Å²]	RSA	RSA unformatted	RSA₁₀	RSA10 unformatted	Surface	Surface10 (not used)	Disorder (not used)	Disorder	Sec. str.	Secondary structure	Isomer	Phi (φ)	Psi (ψ)	Omega (ω)	Chi 1 (χ₁)	Chi 2 (χ₂)	Chi 3 (χ₃)	Chi 4 (χ₄)	Chi 5 (χ₅)	Tau (τ)	Contacts (colored by PAE)	Contact details
1	M	35.8	Very low	34	Very low	246 Å²	246	168.6 Å²	168.6	100%	1.212	86%	0.863	S	S	*	*				0	92.9	0	-81	-179.1	173.1	0	0	107.7
2	E	33.6	Very low	33.6	Very low	201 Å²	201	162.3 Å²	162.3	94%	0.939	84%	0.838	S	S	*	*	P	Polyproline II helix	trans	-82.8	121	173.2	-73.8	-179	135	0	0	108.8
3	G	30.3	Very low	33.1	Very low	66 Å²	66	165.1 Å²	165.1	68%	0.68	83%	0.833	S	S	*	*	P	Polyproline II helix	trans	-85.7	146.1	168.3	0	0	0	0	0	110.7
4	P	36.1	Very low	33.4	Very low	130 Å²	130	166.3 Å²	166.3	84%	0.844	83%	0.83	S	S	*	*	P	Polyproline II helix	trans	-75.2	136	-162	29.8	-34.7	0	0	0	113.1	T6	P4-T6 PolarHBondContact O-N 2.76Å
5	R	35.2	Very low	33.9	Very low	236 Å²	236	166.2 Å²	166.2	89%	0.891	82%	0.823	S	S	*	*	P	Polyproline II helix	trans	-64.2	116	168.1	-74.4	176.8	174.8	174.9	-0.9	110.2	T7	R5-T7 PolarHBondContact O-N 3Å; R5-T7 VanDerWaalsContact O-N 3.15Å
6	T	31.6	Very low	34.7	Very low	147 Å²	147	160.9 Å²	160.9	90%	0.902	80%	0.802	S	S	*	*			trans	-66.6	106	166.6	35.6	0	0	0	0	110	P4	P4-T6 PolarHBondContact O-N 2.76Å
7	T	39.2	Very low	36.3	Very low	121 Å²	121	156.4 Å²	156.4	74%	0.742	79%	0.786	S	S	*	*			trans	-114.3	139.4	166.4	42.9	0	0	0	0	110.3	R5	R5-T7 PolarHBondContact O-N 3Å; R5-T7 VanDerWaalsContact O-N 3.15Å
8	S	41.6	Very low	38.4	Very low	104 Å²	104	148.7 Å²	148.7	73%	0.727	75%	0.749	S	S	*	*			trans	86.4	78.4	158	81.4	0	0	0	0	120.4
9	R	30.6	Very low	40.7	Very low	237 Å²	237	144.2 Å²	144.2	89%	0.894	73%	0.733	S	S	*	*	S	Bend	trans	-119.6	-4.7	152.4	-85.1	-173.8	176.2	-179	-0.7	115.5
10	E	30.3	Very low	43.1	Very low	185 Å²	185	138.2 Å²	138.2	86%	0.864	71%	0.706	S	S	*	*	T	Hydrogen-bonded Turn	trans	-85.4	-11.8	-176.6	-103.6	-177.2	152.9	0	0	115.8
11	K	29.3	Very low	45.3	Very low	182 Å²	182	132.5 Å²	132.5	79%	0.791	68%	0.677	S	S	*	*	T	Hydrogen-bonded Turn	trans	-90.7	-10.5	-175.8	-75	-175.5	178.6	177	0	115.1
12	T	29.7	Very low	48.1	Very low	92 Å²	92	122.8 Å²	122.8	56%	0.564	63%	0.628	S	S	*	*	T	Hydrogen-bonded Turn	trans	-93.5	-36.5	-172.9	-39.6	0	0	0	0	112.5	K14 K15 T16	T12-K14 PolarHBondContact O-N 3.01Å; T12-K15 PolarHBondContact O-N 3.49Å; T12-K15 VanDerWaalsContact O-N 3.16Å; T12-T16 PolarHBondContact O-N 3.03Å; T12-T16 VanDerWaalsContact O-N 3.1Å; T12-T16 PolarHBondContact O-OG1 2.81Å
13	Y	27	Very low	50.9	Low	199 Å²	199	113.4 Å²	113.4	78%	0.78	59%	0.585	S	S	*	*	H	α-helix	trans	-64.8	-36.1	-172.8	-129.8	-93.1	0	0	0	114.6	T17	Y13-T17 PolarHBondContact O-N 2.74Å; Y13-T17 PolarHBondContact O-OG1 3.25Å
14	K	36.7	Very low	54	Low	182 Å²	182	110.6 Å²	110.6	79%	0.791	56%	0.555	S	S	*	*	H	α-helix	trans	-73.3	-28.3	175.6	-82.1	-175.5	175.9	176	0	113.6	T12 T17	T12-K14 PolarHBondContact O-N 3.01Å; K14-T17 PolarHBondContact O-OG1 3.34Å
15	K	42.1	Very low	56.8	Low	165 Å²	165	104.4 Å²	104.4	72%	0.717	52%	0.515	S	S	*	.	H	α-helix	trans	-76.2	-42.8	176.8	-96.8	-174.8	173	-174.2	0	111.3	T12 T17 S18 S19	T12-K15 PolarHBondContact O-N 3.49Å; T12-K15 VanDerWaalsContact O-N 3.16Å; K15-T17 VanDerWaalsContact C-N 3.31Å; K15-T17 PolarHBondContact O-N 2.84Å; K15-S18 PolarHBondContact O-N 3.11Å; K15-S19 PolarHBondContact O-N 3.24Å; K15-S19 PolarHBondContact O-OG 3.29Å
16	T	46.1	Very low	59.7	Low	81 Å²	81	94.8 Å²	94.8	50%	0.497	48%	0.48	S	S	.	.	H	α-helix	trans	-64.6	-33.4	-179.2	-46.2	0	0	0	0	112.6	T12 S19 A20	T12-T16 PolarHBondContact O-N 3.03Å; T12-T16 VanDerWaalsContact O-N 3.1Å; T12-T16 PolarHBondContact O-OG1 2.81Å; T16-S19 PolarHBondContact O-OG 3.22Å; T16-A20 VanDerWaalsContact O-CB 3.25Å; T16-A20 WeakPolarHBondContact O-CB 3.37Å; T16-A20 PolarHBondContact O-N 3.4Å; T16-A20 VanDerWaalsContact O-N 3.1Å
17	T	62.7	Low	62.7	Low	85 Å²	85	89.6 Å²	89.6	52%	0.521	45%	0.447	S	S	.	.	H	α-helix	trans	-72.6	-36.6	176.4	30.7	0	0	0	0	113	Y13 K14 K15 L21	Y13-T17 PolarHBondContact O-N 2.74Å; Y13-T17 PolarHBondContact O-OG1 3.25Å; K14-T17 PolarHBondContact O-OG1 3.34Å; K15-T17 VanDerWaalsContact C-N 3.31Å; K15-T17 PolarHBondContact O-N 2.84Å; T17-L21 WeakPolarHBondContact O-CB 3.36Å; T17-L21 PolarHBondContact O-N 2.67Å; T17-L21 VanDerWaalsContact O-N 3.11Å
18	S	74.3	Confident	65.4	Low	17 Å²	17	83.8 Å²	83.8	12%	0.119	41%	0.411	C	S	.	.	H	α-helix	trans	-72	-41.6	175.8	-176.3	0	0	0	0	112.2	K15 L21 K22 E108	K15-S18 PolarHBondContact O-N 3.11Å; S18-L21 PolarHBondContact O-N 3.38Å; S18-K22 WeakPolarHBondContact O-CG 3.33Å; S18-K22 PolarHBondContact O-N 2.95Å; S18-E108 PolarHBondContact OG-OE2 2.92Å
19	S	81.9	Confident	68	Low	64 Å²	64	79 Å²	79	45%	0.448	38%	0.377	S	S	.	.	H	α-helix	trans	-66.2	-39.4	177.1	61.9	0	0	0	0	112.4	K15 T16 L21 K22 G23	K15-S19 PolarHBondContact O-N 3.24Å; K15-S19 PolarHBondContact O-OG 3.29Å; T16-S19 PolarHBondContact O-OG 3.22Å; S19-L21 VanDerWaalsContact C-N 3.33Å; S19-K22 PolarHBondContact O-N 2.9Å; S19-G23 PolarHBondContact O-N 3.16Å
20	A	87.7	Confident	71.1	Confident	23 Å²	23	68.6 Å²	68.6	19%	0.19	34%	0.344	C	S	.	.	H	α-helix	trans	-63.8	-40	174.7	0	0	0	0	0	112	T16 G23 A24 Y70	T16-A20 VanDerWaalsContact O-CB 3.25Å; T16-A20 WeakPolarHBondContact O-CB 3.37Å; T16-A20 PolarHBondContact O-N 3.4Å; T16-A20 VanDerWaalsContact O-N 3.1Å; A20-G23 PolarHBondContact O-N 3.38Å; A20-A24 WeakPolarHBondContact O-CB 3.39Å; A20-A24 PolarHBondContact O-N 3.44Å; A20-Y70 HydrophobicContact CB-CD1 3.92Å
21	L	90.6	Very high	74.1	Confident	19 Å²	19	61.9 Å²	61.9	10%	0.099	31%	0.311	C	S	.	.	H	α-helix	trans	-63.6	-47.8	175.4	179.5	54.9	0	0	0	111.6	T17 S18 S19 G23 A24 I25 L118 Y120 I168 I175	T17-L21 WeakPolarHBondContact O-CB 3.36Å; T17-L21 PolarHBondContact O-N 2.67Å; T17-L21 VanDerWaalsContact O-N 3.11Å; S18-L21 PolarHBondContact O-N 3.38Å; S19-L21 VanDerWaalsContact C-N 3.33Å; L21-G23 VanDerWaalsContact C-N 3.34Å; L21-G23 PolarHBondContact O-N 3.06Å; L21-A24 PolarHBondContact O-N 3.29Å; L21-I25 HydrophobicContact CD1-CD1 4.16Å; L21-I25 HydrophobicContact CD1-CG1 4.2Å; L21-I25 HydrophobicContact CG-CD1 4.05Å; L21-I25 WeakPolarHBondContact O-CG1 2.97Å; L21-I25 PolarHBondContact O-N 2.66Å; L21-L118 HydrophobicContact CD2-CD1 4.3Å; L21-Y120 HydrophobicContact CD2-CE2 4.43Å; L21-I168 HydrophobicContact CD1-CD1 3.66Å; L21-I175 HydrophobicContact CD1-CB 4.49Å; L21-I175 HydrophobicContact CD1-CD1 3.75Å; L21-I175 HydrophobicContact CD1-CG2 4.11Å; L21-I175 HydrophobicContact CD2-CD1 4.01Å; L21-I175 HydrophobicContact CD2-CG2 4.25Å; L21-I175 HydrophobicContact CG-CD1 4.48Å
22	K	93.6	Very high	77.2	Confident	43 Å²	43	54 Å²	54	19%	0.187	28%	0.279	C	S	.	.	H	α-helix	trans	-55	-49.9	176.4	-70.8	174.9	-174.8	-168	0	111.4	S18 S19 A24 I25 Q26 L106 Y120	S18-K22 WeakPolarHBondContact O-CG 3.33Å; S18-K22 PolarHBondContact O-N 2.95Å; S19-K22 PolarHBondContact O-N 2.9Å; K22-A24 PolarHBondContact O-N 3.38Å; K22-I25 WeakPolarHBondContact O-CB 3.08Å; K22-I25 PolarHBondContact O-N 2.97Å; K22-I25 VanDerWaalsContact O-N 3.14Å; K22-Q26 WeakPolarHBondContact O-CG 3.29Å; K22-Q26 PolarHBondContact O-N 2.95Å; K22-L106 HydrophobicContact CB-CD1 4.32Å; K22-L106 HydrophobicContact CD-CB 4.13Å; K22-L106 WeakPolarHBondContact CE-O 3.44Å; K22-L106 HydrophobicContact CG-CB 4.14Å; K22-L106 HydrophobicContact CG-CD1 4.38Å; K22-L106 PolarHBondContact NZ-O 3.36Å; K22-Y120 HydrophobicContact CD-CD1 4.39Å; K22-Y120 HydrophobicContact CD-CE1 4.16Å; K22-Y120 HydrophobicContact CG-CD1 4.08Å; K22-Y120 HydrophobicContact CG-CE1 3.73Å
23	G	93.4	Very high	80.2	Confident	3 Å²	3	49.8 Å²	49.8	3%	0.031	25%	0.253	C	S	.	.	H	α-helix	trans	-62.4	-41.1	178.8	0	0	0	0	0	113.9	S19 A20 L21 I25 Q26 L27 Y70	S19-G23 PolarHBondContact O-N 3.16Å; A20-G23 PolarHBondContact O-N 3.38Å; L21-G23 VanDerWaalsContact C-N 3.34Å; L21-G23 PolarHBondContact O-N 3.06Å; G23-I25 VanDerWaalsContact C-N 3.3Å; G23-I25 PolarHBondContact O-N 3.36Å; G23-Q26 PolarHBondContact O-N 3.21Å; G23-L27 WeakPolarHBondContact O-CB 3.05Å; G23-L27 PolarHBondContact O-N 3.11Å; G23-Y70 VanDerWaalsContact CA-CZ 3.45Å; G23-Y70 WeakPolarHBondContact CA-OH 3.49Å
24	A	93.7	Very high	83.3	Confident	7 Å²	7	41.5 Å²	41.5	6%	0.058	23%	0.228	C	C	.	.	H	α-helix	trans	-63.8	-33.9	174.5	0	0	0	0	0	112.8	A20 L21 K22 G28 F73 I168	A20-A24 WeakPolarHBondContact O-CB 3.39Å; A20-A24 PolarHBondContact O-N 3.44Å; L21-A24 PolarHBondContact O-N 3.29Å; K22-A24 PolarHBondContact O-N 3.38Å; A24-G28 PolarHBondContact O-N 2.64Å; A24-F73 HydrophobicContact CB-CD1 4.44Å; A24-F73 HydrophobicContact CB-CD2 4.36Å; A24-F73 HydrophobicContact CB-CE1 4.1Å; A24-F73 HydrophobicContact CB-CE2 3.98Å; A24-F73 HydrophobicContact CB-CZ 3.83Å; A24-I168 HydrophobicContact CB-CD1 4.05Å
25	I	95.4	Very high	85.7	Confident	1 Å²	1	36.2 Å²	36.2	1%	0.005	21%	0.208	C	C	.	.	H	α-helix	trans	-62.9	-52.7	172.3	-67.5	171.2	0	0	0	110.2	L21 K22 G23 G28 I29 L106 Y120 I129 I168 L177	L21-I25 HydrophobicContact CD1-CD1 4.16Å; L21-I25 HydrophobicContact CD1-CG1 4.2Å; L21-I25 HydrophobicContact CG-CD1 4.05Å; L21-I25 WeakPolarHBondContact O-CG1 2.97Å; L21-I25 PolarHBondContact O-N 2.66Å; K22-I25 WeakPolarHBondContact O-CB 3.08Å; K22-I25 PolarHBondContact O-N 2.97Å; K22-I25 VanDerWaalsContact O-N 3.14Å; G23-I25 VanDerWaalsContact C-N 3.3Å; G23-I25 PolarHBondContact O-N 3.36Å; I25-G28 PolarHBondContact O-N 3.37Å; I25-I29 HydrophobicContact CG2-CD1 3.7Å; I25-I29 HydrophobicContact CG2-CG1 4.43Å; I25-I29 WeakPolarHBondContact O-CB 3.45Å; I25-I29 WeakPolarHBondContact O-CG1 3.47Å; I25-I29 PolarHBondContact O-N 2.97Å; I25-L106 HydrophobicContact CB-CD1 4.45Å; I25-L106 HydrophobicContact CG2-CD1 4.18Å; I25-Y120 HydrophobicContact CD1-CD2 4.11Å; I25-Y120 HydrophobicContact CD1-CE2 3.95Å; I25-I129 HydrophobicContact CG2-CD1 3.83Å; I25-I168 HydrophobicContact CB-CD1 4.48Å; I25-I168 HydrophobicContact CG1-CD1 3.56Å; I25-L177 HydrophobicContact CD1-CD1 3.6Å; I25-L177 HydrophobicContact CD1-CD2 4.08Å; I25-L177 HydrophobicContact CG1-CD1 3.41Å; I25-L177 VanDerWaalsContact CG1-CD1 3.41Å
26	Q	96.3	Very high	88	Confident	34 Å²	34	28.9 Å²	28.9	16%	0.159	18%	0.177	C	C	.	.	H	α-helix	trans	-63.8	-47.4	-175.8	-63.9	-174.8	-78	0	0	111.4	K22 G23 G28 G30 L101 V102 E104 L106	K22-Q26 WeakPolarHBondContact O-CG 3.29Å; K22-Q26 PolarHBondContact O-N 2.95Å; G23-Q26 PolarHBondContact O-N 3.21Å; Q26-G28 PolarHBondContact O-N 2.92Å; Q26-G30 PolarHBondContact O-N 2.9Å; Q26-L101 VanDerWaalsContact CG-O 3.3Å; Q26-L101 WeakPolarHBondContact CG-O 3.18Å; Q26-L101 PolarHBondContact NE2-O 3.32Å; Q26-V102 HydrophobicContact CB-CG1 4.33Å; Q26-V102 PolarHBondContact NE2-O 3.2Å; Q26-E104 PolarHBondContact NE2-O 3.23Å; Q26-L106 HydrophobicContact CG-CD1 3.98Å; Q26-L106 HydrophobicContact CG-CG 4.26Å
27	L	95.1	Very high	89.8	Confident	37 Å²	37	29 Å²	29	19%	0.194	18%	0.177	C	C	.	.	H	α-helix	trans	-60.9	-45.8	176.9	-179.7	62.8	0	0	0	111.9	G23 G30 Y31 T65 H68 F73	G23-L27 WeakPolarHBondContact O-CB 3.05Å; G23-L27 PolarHBondContact O-N 3.11Å; L27-G30 PolarHBondContact O-N 2.83Å; L27-Y31 WeakPolarHBondContact O-CB 3.39Å; L27-Y31 PolarHBondContact O-N 3.4Å; L27-T65 HydrophobicContact CD1-CG2 4.38Å; L27-H68 HydrophobicContact CD2-CB 4.49Å; L27-H68 WeakPolarHBondContact CD2-CD2 3.2Å; L27-F73 HydrophobicContact CB-CZ 4.49Å; L27-F73 HydrophobicContact CD2-CE1 4.12Å; L27-F73 HydrophobicContact CD2-CZ 4.02Å; L27-F73 HydrophobicContact CG-CZ 4.46Å
28	G	95.5	Very high	90.8	Very high	0 Å²	0	29.5 Å²	29.5	0%	0	19%	0.185	C	C	.	.	H	α-helix	trans	-65	-46.2	-179.5	0	0	0	0	0	113.2	A24 I25 Q26 T32	A24-G28 PolarHBondContact O-N 2.64Å; I25-G28 PolarHBondContact O-N 3.37Å; Q26-G28 PolarHBondContact O-N 2.92Å; G28-T32 WeakPolarHBondContact O-CG2 3.2Å; G28-T32 PolarHBondContact O-N 2.9Å; G28-T32 PolarHBondContact O-OG1 3.07Å; G28-T32 VanDerWaalsContact O-OG1 3.09Å
29	I	96.7	Very high	91.4	Very high	2 Å²	2	32.4 Å²	32.4	1%	0.01	20%	0.195	C	C	.	.	H	α-helix	trans	-65	-45	176.3	-68.1	176.9	0	0	0	110.4	I25 Y31 T32 V33 F75 Y97 L101 V102 Y166 V179	I25-I29 HydrophobicContact CG2-CD1 3.7Å; I25-I29 HydrophobicContact CG2-CG1 4.43Å; I25-I29 WeakPolarHBondContact O-CB 3.45Å; I25-I29 WeakPolarHBondContact O-CG1 3.47Å; I25-I29 PolarHBondContact O-N 2.97Å; I29-Y31 VanDerWaalsContact C-N 3.33Å; I29-Y31 PolarHBondContact O-N 2.91Å; I29-T32 PolarHBondContact O-N 2.84Å; I29-V33 HydrophobicContact CG2-CG2 3.96Å; I29-V33 WeakPolarHBondContact O-CB 3.45Å; I29-V33 WeakPolarHBondContact O-CG2 3.3Å; I29-V33 PolarHBondContact O-N 2.82Å; I29-F75 HydrophobicContact CG1-CZ 3.94Å; I29-Y97 HydrophobicContact CG2-CE1 4.1Å; I29-L101 HydrophobicContact CD1-CD1 4.47Å; I29-L101 HydrophobicContact CG2-CD1 4.38Å; I29-V102 HydrophobicContact CB-CG2 4.43Å; I29-V102 HydrophobicContact CG2-CG2 4.18Å; I29-Y166 HydrophobicContact CD1-CD2 4.19Å; I29-Y166 HydrophobicContact CD1-CE2 3.88Å; I29-Y166 HydrophobicContact CG1-CD2 4.25Å; I29-Y166 HydrophobicContact CG1-CE1 4.37Å; I29-Y166 HydrophobicContact CG1-CE2 3.99Å; I29-V179 HydrophobicContact CD1-CG2 4.19Å
30	G	95.1	Very high	91.6	Very high	20 Å²	20	34.7 Å²	34.7	21%	0.206	21%	0.208	C	C	.	.	H	α-helix	trans	-55.6	-48.1	178.5	0	0	0	0	0	112.2	Q26 L27 G34	Q26-G30 PolarHBondContact O-N 2.9Å; L27-G30 PolarHBondContact O-N 2.83Å; G30-G34 WeakPolarHBondContact O-CA 3.4Å; G30-G34 PolarHBondContact O-N 2.82Å
31	Y	93.6	Very high	91.6	Very high	43 Å²	43	40.1 Å²	40.1	17%	0.169	23%	0.234	C	C	.	.	H	α-helix	trans	-65.1	-50	177.4	177.8	-95	0	0	0	112.9	L27 I29 N35 V55 L64 T65	L27-Y31 WeakPolarHBondContact O-CB 3.39Å; L27-Y31 PolarHBondContact O-N 3.4Å; I29-Y31 VanDerWaalsContact C-N 3.33Å; I29-Y31 PolarHBondContact O-N 2.91Å; Y31-N35 WeakPolarHBondContact CE1-ND2 3.29Å; Y31-N35 WeakPolarHBondContact CE2-ND2 3.48Å; Y31-N35 WeakPolarHBondContact O-CB 3.48Å; Y31-N35 PolarHBondContact O-N 3.15Å; Y31-N35 PolarHBondContact O-ND2 2.98Å; Y31-N35 PolarHBondContact OH-ND2 2.82Å; Y31-N35 VanDerWaalsContact OH-ND2 3.14Å; Y31-V55 HydrophobicContact CD1-CB 4.32Å; Y31-V55 HydrophobicContact CD1-CG1 3.84Å; Y31-V55 HydrophobicContact CD1-CG2 4.18Å; Y31-V55 HydrophobicContact CE1-CB 3.84Å; Y31-V55 HydrophobicContact CE1-CG1 3.88Å; Y31-V55 HydrophobicContact CE1-CG2 3.54Å; Y31-L64 HydrophobicContact CE2-CB 3.65Å; Y31-L64 HydrophobicContact CE2-CD2 4.37Å; Y31-L64 HydrophobicContact CE2-CG 4.42Å; Y31-L64 WeakPolarHBondContact OH-CD1 3.37Å; Y31-T65 HydrophobicContact CD2-CG2 3.61Å; Y31-T65 HydrophobicContact CE2-CG2 4.24Å; Y31-T65 HydrophobicContact CG-CG2 4.11Å
32	T	94.1	Very high	91.7	Very high	17 Å²	17	45 Å²	45	10%	0.104	25%	0.251	C	S	.	.	H	α-helix	trans	-75	-38	-171.4	61.7	0	0	0	0	113	G28 I29 L36 V55 F75 T77	G28-T32 WeakPolarHBondContact O-CG2 3.2Å; G28-T32 PolarHBondContact O-N 2.9Å; G28-T32 PolarHBondContact O-OG1 3.07Å; G28-T32 VanDerWaalsContact O-OG1 3.09Å; I29-T32 PolarHBondContact O-N 2.84Å; T32-L36 WeakPolarHBondContact O-CB 3.36Å; T32-L36 PolarHBondContact O-N 3.42Å; T32-L36 VanDerWaalsContact O-N 3.12Å; T32-V55 HydrophobicContact CG2-CG1 4.28Å; T32-F75 HydrophobicContact CG2-CD1 3.78Å; T32-F75 HydrophobicContact CG2-CE1 4.11Å; T32-T77 WeakPolarHBondContact CB-OG1 2.88Å; T32-T77 WeakPolarHBondContact CG2-OG1 3.03Å; T32-T77 PolarHBondContact OG1-OG1 3.33Å
33	V	93.8	Very high	91.7	Very high	4 Å²	4	49.3 Å²	49.3	2%	0.024	28%	0.276	C	S	.	.	H	α-helix	trans	-73.4	-42	175.3	175.9	0	0	0	0	110.4	I29 N35 L36 T37 R87 Y97 L98	I29-V33 HydrophobicContact CG2-CG2 3.96Å; I29-V33 WeakPolarHBondContact O-CB 3.45Å; I29-V33 WeakPolarHBondContact O-CG2 3.3Å; I29-V33 PolarHBondContact O-N 2.82Å; V33-N35 PolarHBondContact O-N 2.8Å; V33-L36 WeakPolarHBondContact O-CB 3.45Å; V33-L36 PolarHBondContact O-N 2.9Å; V33-L36 VanDerWaalsContact O-N 3.09Å; V33-T37 PolarHBondContact O-N 2.78Å; V33-R87 VanDerWaalsContact CG1-NH1 3.32Å; V33-Y97 HydrophobicContact CG1-CD1 4.36Å; V33-Y97 HydrophobicContact CG2-CD1 4.3Å; V33-Y97 HydrophobicContact CG2-CE1 4.05Å; V33-L98 HydrophobicContact CB-CD2 3.84Å; V33-L98 HydrophobicContact CB-CG 4.38Å; V33-L98 HydrophobicContact CG1-CD1 4.17Å; V33-L98 HydrophobicContact CG1-CD2 3.94Å; V33-L98 HydrophobicContact CG1-CG 3.91Å
34	G	90.8	Very high	91.8	Very high	25 Å²	25	50 Å²	50	26%	0.258	28%	0.28	S	S	.	.	H	α-helix	trans	-55.4	-49.9	174.8	0	0	0	0	0	111.7	G30 L36 T37	G30-G34 WeakPolarHBondContact O-CA 3.4Å; G30-G34 PolarHBondContact O-N 2.82Å; G34-L36 VanDerWaalsContact C-N 3.3Å; G34-L36 PolarHBondContact O-N 3.11Å; G34-T37 PolarHBondContact O-N 2.97Å; G34-T37 PolarHBondContact O-OG1 3.21Å
35	N	88.4	Confident	91.9	Very high	70 Å²	70	53.8 Å²	53.8	37%	0.374	30%	0.299	S	S	.	.	H	α-helix	trans	-65.5	-31	176.2	-76.4	-20.9	0	0	0	113.8	Y31 V33 T37 S38	Y31-N35 WeakPolarHBondContact CE1-ND2 3.29Å; Y31-N35 WeakPolarHBondContact CE2-ND2 3.48Å; Y31-N35 WeakPolarHBondContact O-CB 3.48Å; Y31-N35 PolarHBondContact O-N 3.15Å; Y31-N35 PolarHBondContact O-ND2 2.98Å; Y31-N35 PolarHBondContact OH-ND2 2.82Å; Y31-N35 VanDerWaalsContact OH-ND2 3.14Å; V33-N35 PolarHBondContact O-N 2.8Å; N35-T37 VanDerWaalsContact C-N 3.25Å; N35-T37 PolarHBondContact O-N 3.12Å; N35-S38 PolarHBondContact O-N 3.31Å; N35-S38 PolarHBondContact O-OG 3.45Å
36	L	88.4	Confident	91.9	Very high	12 Å²	12	59.4 Å²	59.4	6%	0.063	33%	0.326	C	S	.	.	H	α-helix	trans	-66.2	-29.1	178	-174.2	59.1	0	0	0	112.2	T32 V33 G34 S38 K39 P80 R84	T32-L36 WeakPolarHBondContact O-CB 3.36Å; T32-L36 PolarHBondContact O-N 3.42Å; T32-L36 VanDerWaalsContact O-N 3.12Å; V33-L36 WeakPolarHBondContact O-CB 3.45Å; V33-L36 PolarHBondContact O-N 2.9Å; V33-L36 VanDerWaalsContact O-N 3.09Å; G34-L36 VanDerWaalsContact C-N 3.3Å; G34-L36 PolarHBondContact O-N 3.11Å; L36-S38 PolarHBondContact O-N 3.05Å; L36-K39 HydrophobicContact CD1-CB 4.37Å; L36-K39 HydrophobicContact CD1-CD 3.84Å; L36-K39 HydrophobicContact CD1-CG 4.38Å; L36-K39 WeakPolarHBondContact O-CB 3.12Å; L36-K39 PolarHBondContact O-N 3.5Å; L36-K39 VanDerWaalsContact O-N 3.09Å; L36-P80 HydrophobicContact CD1-CB 4.48Å; L36-P80 HydrophobicContact CD2-CB 4.12Å; L36-P80 WeakPolarHBondContact CD2-O 3.32Å; L36-R84 HydrophobicContact CD2-CB 3.93Å; L36-R84 PolarHBondContact O-NH1 3.2Å
37	T	84.3	Confident	91.9	Very high	82 Å²	82	63.9 Å²	63.9	50%	0.503	35%	0.347	S	S	.	.	H	α-helix	trans	-63.9	-26.2	175.5	67.5	0	0	0	0	113.1	V33 G34 N35 K39 P94	V33-T37 PolarHBondContact O-N 2.78Å; G34-T37 PolarHBondContact O-N 2.97Å; G34-T37 PolarHBondContact O-OG1 3.21Å; N35-T37 VanDerWaalsContact C-N 3.25Å; N35-T37 PolarHBondContact O-N 3.12Å; T37-K39 VanDerWaalsContact C-N 3.3Å; T37-K39 PolarHBondContact O-N 2.99Å; T37-P94 HydrophobicContact CG2-CB 3.8Å; T37-P94 HydrophobicContact CG2-CG 4.35Å
38	S	84.3	Confident	91.9	Very high	97 Å²	97	62.6 Å²	62.6	68%	0.678	34%	0.341	S	S	*	.	T	Hydrogen-bonded Turn	trans	-77	-15	175.3	74.1	0	0	0	0	113.7	N35 L36	N35-S38 PolarHBondContact O-N 3.31Å; N35-S38 PolarHBondContact O-OG 3.45Å; L36-S38 PolarHBondContact O-N 3.05Å
39	K	86.8	Confident	92	Very high	78 Å²	78	63.1 Å²	63.1	34%	0.339	34%	0.343	S	S	.	.	S	Bend	trans	-81.7	135.7	178.9	-62.4	-170.4	-172.3	163.8	0	109.6	L36 T37 E53 R84	L36-K39 HydrophobicContact CD1-CB 4.37Å; L36-K39 HydrophobicContact CD1-CD 3.84Å; L36-K39 HydrophobicContact CD1-CG 4.38Å; L36-K39 WeakPolarHBondContact O-CB 3.12Å; L36-K39 PolarHBondContact O-N 3.5Å; L36-K39 VanDerWaalsContact O-N 3.09Å; T37-K39 VanDerWaalsContact C-N 3.3Å; T37-K39 PolarHBondContact O-N 2.99Å; K39-E53 IonicContact NZ-OE1 3.27Å; K39-E53 PolarHBondContact NZ-OE1 2.91Å; K39-E53 IonicContact NZ-OE2 3.82Å; K39-E53 PolarHBondContact NZ-OE2 3.4Å; K39-R84 PolarHBondContact O-NH1 2.88Å
40	P	86.8	Confident	92	Very high	111 Å²	111	69 Å²	69	72%	0.721	37%	0.366	S	S	*	.	P	Polyproline II helix	trans	-60	152.1	-177.9	25.8	-34.7	0	0	0	111.9	R84	P40-R84 PolarHBondContact O-NH2 2.92Å
41	D	86.4	Confident	92.1	Very high	137 Å²	137	70.5 Å²	70.5	73%	0.733	37%	0.371	S	S	*	.	P	Polyproline II helix	trans	-73.7	134.8	173.9	-70.1	-28.8	0	0	0	110.8	R84	D41-R84 IonicContact OD1-CZ 3.15Å; D41-R84 IonicContact OD1-NE 2.68Å; D41-R84 IonicContact OD1-NH1 3.11Å; D41-R84 PolarHBondContact OD1-NH1 3.48Å; D41-R84 IonicContact OD1-NH2 3.4Å; D41-R84 PolarHBondContact OD1-NH2 2.88Å
42	R	93.7	Very high	92.3	Very high	121 Å²	121	71.4 Å²	71.4	46%	0.457	38%	0.381	S	S	.	.			trans	-158.9	161	175.7	67.2	166.4	-177.3	83.3	-4.5	110.1	D48 L81	R42-D48 IonicContact CZ-OD1 3.16Å; R42-D48 IonicContact CZ-OD2 3.32Å; R42-D48 IonicContact NH1-OD1 3.2Å; R42-D48 IonicContact NH1-OD2 3.74Å; R42-D48 PolarHBondContact NH1-OD2 3.48Å; R42-D48 IonicContact NH2-OD1 3.65Å; R42-D48 PolarHBondContact NH2-OD1 3.38Å; R42-D48 IonicContact NH2-OD2 2.68Å; R42-D48 PolarHBondContact NH2-OD2 3.17Å; R42-L81 HydrophobicContact CG-CD2 4.07Å; R42-L81 VanDerWaalsContact NH2-CD2 3.32Å
43	D	92.5	Very high	92.4	Very high	134 Å²	134	74.1 Å²	74.1	72%	0.717	39%	0.393	S	S	*	.	P	Polyproline II helix	trans	-61.6	150.7	175.6	-64.4	-32.6	0	0	0	112.7
44	V	95.3	Very high	92.5	Very high	19 Å²	19	76.7 Å²	76.7	12%	0.115	41%	0.411	C	S	.	.	P	Polyproline II helix	trans	-78.1	123.4	174.7	-176	0	0	0	0	109.3	D48 F49 L81 A82 Y85 Y148	V44-D48 HydrophobicContact CG1-CB 4.12Å; V44-F49 HydrophobicContact CG1-CE1 3.96Å; V44-F49 HydrophobicContact CG1-CE2 4.23Å; V44-F49 HydrophobicContact CG1-CZ 3.74Å; V44-L81 HydrophobicContact CG2-CG 4.41Å; V44-A82 HydrophobicContact CG1-CB 4.28Å; V44-Y85 VanDerWaalsContact CG2-CB 3.42Å; V44-Y85 HydrophobicContact CG2-CD1 4.24Å; V44-Y85 HydrophobicContact CG2-CD2 3.99Å; V44-Y85 HydrophobicContact CG2-CG 3.63Å; V44-Y148 HydrophobicContact CB-CE2 4.43Å
45	L	96.4	Very high	92.7	Very high	86 Å²	86	76.4 Å²	76.4	45%	0.45	40%	0.404	S	S	.	.	P	Polyproline II helix	trans	-100.5	159	174.8	-58.3	178	0	0	0	110.4	Q47 D48	L45-Q47 HydrophobicContact CB-CG 4.03Å; L45-Q47 PolarHBondContact O-N 2.9Å; L45-Q47 VanDerWaalsContact O-N 3.1Å; L45-D48 WeakPolarHBondContact CB-OD2 3.35Å; L45-D48 PolarHBondContact N-OD2 3.1Å; L45-D48 VanDerWaalsContact O-CB 3.3Å; L45-D48 WeakPolarHBondContact O-CB 3.41Å; L45-D48 PolarHBondContact O-N 3.04Å
46	M	95.1	Very high	93	Very high	118 Å²	118	77.6 Å²	77.6	58%	0.581	41%	0.406	S	S	*	.	G	3₁₀ helix	trans	-55.9	-34.1	-178.6	-173.4	58.3	129.5	0	0	113.1	D48 F49 Y50 P145	M46-D48 VanDerWaalsContact C-N 3.28Å; M46-D48 PolarHBondContact O-N 3.48Å; M46-F49 PolarHBondContact O-N 2.91Å; M46-F49 HydrophobicContact SD-CD2 3.82Å; M46-F49 HydrophobicContact SD-CE2 4.22Å; M46-Y50 WeakPolarHBondContact O-CD2 3.45Å; M46-Y50 HydrophobicContact SD-CE2 4.5Å; M46-P145 HydrophobicContact CE-CB 4.03Å; M46-P145 HydrophobicContact CE-CG 4.32Å; M46-P145 HydrophobicContact SD-CB 3.88Å; M46-P145 HydrophobicContact SD-CG 3.87Å
47	Q	96.1	Very high	93.3	Very high	128 Å²	128	77 Å²	77	60%	0.598	40%	0.403	S	S	*	.	G	3₁₀ helix	trans	-63.8	-30.8	176.5	63.2	-171.9	0.4	0	0	113.3	L45 F49 Y50 V51	L45-Q47 HydrophobicContact CB-CG 4.03Å; L45-Q47 PolarHBondContact O-N 2.9Å; L45-Q47 VanDerWaalsContact O-N 3.1Å; Q47-F49 PolarHBondContact O-N 3.34Å; Q47-Y50 PolarHBondContact O-N 3.27Å; Q47-V51 PolarHBondContact O-N 3.43Å
48	D	97	Very high	93.8	Very high	11 Å²	11	74.2 Å²	74.2	6%	0.059	39%	0.386	C	S	.	.	G	3₁₀ helix	trans	-65.8	-26.4	-175.6	-64.5	-49	0	0	0	112.2	R42 V44 L45 M46 Y50 V51 A79 L81	R42-D48 IonicContact CZ-OD1 3.16Å; R42-D48 IonicContact CZ-OD2 3.32Å; R42-D48 IonicContact NH1-OD1 3.2Å; R42-D48 IonicContact NH1-OD2 3.74Å; R42-D48 PolarHBondContact NH1-OD2 3.48Å; R42-D48 IonicContact NH2-OD1 3.65Å; R42-D48 PolarHBondContact NH2-OD1 3.38Å; R42-D48 IonicContact NH2-OD2 2.68Å; R42-D48 PolarHBondContact NH2-OD2 3.17Å; V44-D48 HydrophobicContact CG1-CB 4.12Å; L45-D48 WeakPolarHBondContact CB-OD2 3.35Å; L45-D48 PolarHBondContact N-OD2 3.1Å; L45-D48 VanDerWaalsContact O-CB 3.3Å; L45-D48 WeakPolarHBondContact O-CB 3.41Å; L45-D48 PolarHBondContact O-N 3.04Å; M46-D48 VanDerWaalsContact C-N 3.28Å; M46-D48 PolarHBondContact O-N 3.48Å; D48-Y50 PolarHBondContact O-N 3.42Å; D48-V51 PolarHBondContact O-N 3.05Å; D48-A79 WeakPolarHBondContact O-CA 3.38Å; D48-A79 WeakPolarHBondContact O-CB 3.15Å; D48-L81 HydrophobicContact CB-CB 4.45Å
49	F	96.8	Very high	94.3	Very high	10 Å²	10	71.6 Å²	71.6	4%	0.044	37%	0.368	C	S	.	.	G	3₁₀ helix	trans	-66.7	-20.5	175.1	-62.1	-59	0	0	0	113.5	V44 M46 Q47 A82 F86 Q141 L144 P145 Y148	V44-F49 HydrophobicContact CG1-CE1 3.96Å; V44-F49 HydrophobicContact CG1-CE2 4.23Å; V44-F49 HydrophobicContact CG1-CZ 3.74Å; M46-F49 PolarHBondContact O-N 2.91Å; M46-F49 HydrophobicContact SD-CD2 3.82Å; M46-F49 HydrophobicContact SD-CE2 4.22Å; Q47-F49 PolarHBondContact O-N 3.34Å; F49-A82 HydrophobicContact CD1-CB 3.6Å; F49-A82 HydrophobicContact CE1-CB 3.65Å; F49-F86 HydrophobicContact CE1-CZ 4.03Å; F49-Q141 VanDerWaalsContact O-CG 3.25Å; F49-Q141 WeakPolarHBondContact O-CG 3.31Å; F49-Q141 PolarHBondContact O-NE2 2.94Å; F49-L144 HydrophobicContact CB-CB 4.28Å; F49-L144 HydrophobicContact CD1-CB 3.47Å; F49-L144 VanDerWaalsContact CD1-CB 3.47Å; F49-L144 HydrophobicContact CD1-CD1 4.21Å; F49-L144 HydrophobicContact CD1-CG 4.48Å; F49-L144 HydrophobicContact CE1-CB 4.08Å; F49-L144 HydrophobicContact CG-CB 4.1Å; F49-P145 HydrophobicContact CB-CG 4.2Å; F49-P145 HydrophobicContact CD2-CB 4.12Å; F49-P145 HydrophobicContact CD2-CG 3.74Å; F49-P145 HydrophobicContact CE2-CB 4.19Å; F49-P145 HydrophobicContact CE2-CG 4.3Å; F49-P145 HydrophobicContact CG-CG 4Å; F49-Y148 HydrophobicContact CZ-CD2 4.02Å; F49-Y148 AromaticContact CZ-CG 3.92Å; F49-Y148 HydrophobicContact CZ-CG 3.92Å
50	Y	95.8	Very high	94.6	Very high	125 Å²	125	76.4 Å²	76.4	49%	0.49	39%	0.391	S	S	.	.	G	3₁₀ helix	trans	-103.8	-8.9	-177.1	-59.4	-79.1	0	0	0	113.5	M46 Q47 D48 Q141	M46-Y50 WeakPolarHBondContact O-CD2 3.45Å; M46-Y50 HydrophobicContact SD-CE2 4.5Å; Q47-Y50 PolarHBondContact O-N 3.27Å; D48-Y50 PolarHBondContact O-N 3.42Å; Y50-Q141 PolarHBondContact O-NE2 2.82Å
51	V	97.2	Very high	94.9	Very high	52 Å²	52	72 Å²	72	32%	0.315	37%	0.367	S	S	.	.			trans	-63	138.5	178.5	174	0	0	0	0	110.7	Q47 D48 E53 A79 P80	Q47-V51 PolarHBondContact O-N 3.43Å; D48-V51 PolarHBondContact O-N 3.05Å; V51-E53 HydrophobicContact CG1-CG 4.07Å; V51-A79 PolarHBondContact O-N 3.46Å; V51-P80 HydrophobicContact CG1-CG 4.37Å
52	V	97.8	Very high	95.1	Very high	62 Å²	62	67.8 Å²	67.8	38%	0.376	35%	0.348	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-133.1	112.3	169.4	-174.4	0	0	0	0	108.2	K76 T77 Y78	V52-K76 HydrophobicContact CG1-CB 4.18Å; V52-K76 HydrophobicContact CG1-CD 4.5Å; V52-T77 CarbonylContact C-O 3.59Å; V52-T77 WeakPolarHBondContact CA-O 3.16Å; V52-Y78 HydrophobicContact CB-CD1 4.45Å; V52-Y78 HydrophobicContact CG1-CD1 4.12Å; V52-Y78 HydrophobicContact CG1-CE1 4.04Å; V52-Y78 HydrophobicContact CG1-CE2 4.5Å; V52-Y78 HydrophobicContact CG1-CG 4.37Å; V52-Y78 HydrophobicContact CG2-CD1 3.49Å; V52-Y78 VanDerWaalsContact CG2-CD1 3.49Å; V52-Y78 HydrophobicContact CG2-CE1 3.77Å; V52-Y78 HydrophobicContact CG2-CG 4.24Å
53	E	96.8	Very high	94.7	Very high	75 Å²	75	70.5 Å²	70.5	35%	0.35	37%	0.371	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-89.8	147.5	174.4	-65.4	-175.8	179.1	0	0	109.6	K39 V51 K76 T77 P80	K39-E53 IonicContact NZ-OE1 3.27Å; K39-E53 PolarHBondContact NZ-OE1 2.91Å; K39-E53 IonicContact NZ-OE2 3.82Å; K39-E53 PolarHBondContact NZ-OE2 3.4Å; V51-E53 HydrophobicContact CG1-CG 4.07Å; E53-K76 CarbonylContact O-C 3.6Å; E53-K76 WeakPolarHBondContact O-CA 3.48Å; E53-T77 PolarHBondContact N-O 2.85Å; E53-T77 PolarHBondContact O-N 2.99Å; E53-P80 HydrophobicContact CG-CG 4.1Å
54	S	96.2	Very high	94	Very high	58 Å²	58	68.9 Å²	68.9	41%	0.406	36%	0.362	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-141.9	122.5	-174.6	160.8	0	0	0	0	110.5	R74 F75	S54-R74 VanDerWaalsContact OG-CD 3.24Å; S54-R74 WeakPolarHBondContact OG-CD 3.28Å; S54-R74 WeakPolarHBondContact OG-CG 3.21Å; S54-R74 PolarHBondContact OG-NH1 3.17Å; S54-F75 WeakPolarHBondContact CA-O 3.21Å
55	V	95.2	Very high	93.5	Very high	19 Å²	19	68.3 Å²	68.3	12%	0.115	36%	0.359	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-116.4	145.6	173.7	62.1	0	0	0	0	110.6	Y31 T32 L57 L64 R74 F75	Y31-V55 HydrophobicContact CD1-CB 4.32Å; Y31-V55 HydrophobicContact CD1-CG1 3.84Å; Y31-V55 HydrophobicContact CD1-CG2 4.18Å; Y31-V55 HydrophobicContact CE1-CB 3.84Å; Y31-V55 HydrophobicContact CE1-CG1 3.88Å; Y31-V55 HydrophobicContact CE1-CG2 3.54Å; T32-V55 HydrophobicContact CG2-CG1 4.28Å; V55-L57 HydrophobicContact CG1-CD1 4.24Å; V55-L57 HydrophobicContact CG1-CG 4.24Å; V55-L57 HydrophobicContact CG2-CD2 4.34Å; V55-L57 HydrophobicContact CG2-CG 4.48Å; V55-L64 HydrophobicContact CG2-CD1 4.49Å; V55-R74 CarbonylContact O-C 3.56Å; V55-R74 VanDerWaalsContact O-CA 3.3Å; V55-R74 WeakPolarHBondContact O-CA 3.42Å; V55-R74 WeakPolarHBondContact O-CG 3.35Å; V55-F75 HydrophobicContact CG1-CB 3.92Å; V55-F75 PolarHBondContact N-O 2.84Å; V55-F75 PolarHBondContact O-N 3.47Å
56	F	95.3	Very high	93	Very high	94 Å²	94	68.9 Å²	68.9	41%	0.412	37%	0.367	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-99	131.6	170.4	-179.8	-115.8	0	0	0	109.6	P58 D72 F73	F56-P58 HydrophobicContact CE1-CB 3.86Å; F56-P58 HydrophobicContact CE1-CG 4.35Å; F56-P58 HydrophobicContact CZ-CB 4.32Å; F56-D72 HydrophobicContact CE2-CB 4.03Å; F56-D72 HydrophobicContact CZ-CB 3.92Å; F56-F73 WeakPolarHBondContact CD2-O 3.5Å
57	L	94.2	Very high	92.8	Very high	0 Å²	0	66.6 Å²	66.6	0%	0	37%	0.368	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-122.7	93.8	-174.4	-66.9	168.7	0	0	0	108.2	V55 T65 F73 F75	V55-L57 HydrophobicContact CG1-CD1 4.24Å; V55-L57 HydrophobicContact CG1-CG 4.24Å; V55-L57 HydrophobicContact CG2-CD2 4.34Å; V55-L57 HydrophobicContact CG2-CG 4.48Å; L57-T65 HydrophobicContact CD2-CG2 3.22Å; L57-T65 WeakPolarHBondContact CD2-OG1 3.44Å; L57-F73 HydrophobicContact CB-CD1 4.07Å; L57-F73 HydrophobicContact CB-CD2 4.48Å; L57-F73 HydrophobicContact CB-CE1 3.72Å; L57-F73 HydrophobicContact CB-CE2 4.19Å; L57-F73 HydrophobicContact CB-CG 4.45Å; L57-F73 HydrophobicContact CB-CZ 3.8Å; L57-F73 HydrophobicContact CD1-CD2 4.23Å; L57-F73 HydrophobicContact CD1-CE1 4.19Å; L57-F73 HydrophobicContact CD1-CE2 3.4Å; L57-F73 HydrophobicContact CD1-CZ 3.37Å; L57-F73 HydrophobicContact CG-CE2 4.38Å; L57-F73 HydrophobicContact CG-CZ 4.21Å; L57-F73 PolarHBondContact N-O 2.97Å; L57-F73 PolarHBondContact O-N 3.23Å; L57-F73 VanDerWaalsContact O-N 3.13Å; L57-F75 HydrophobicContact CD1-CB 3.87Å
58	P	94.9	Very high	92.6	Very high	23 Å²	23	61.6 Å²	61.6	15%	0.149	34%	0.344	C	S	.	.			trans	-78.7	144.7	179.7	31.3	-34.5	0	0	0	111.8	F56 E60 G61 H68	F56-P58 HydrophobicContact CE1-CB 3.86Å; F56-P58 HydrophobicContact CE1-CG 4.35Å; F56-P58 HydrophobicContact CZ-CB 4.32Å; P58-E60 VanDerWaalsContact C-N 3.28Å; P58-E60 PolarHBondContact O-N 2.94Å; P58-G61 VanDerWaalsContact CG-O 3.3Å; P58-G61 WeakPolarHBondContact CG-O 3.42Å; P58-G61 WeakPolarHBondContact O-CA 3.45Å; P58-G61 PolarHBondContact O-N 2.88Å; P58-H68 PolarHBondContact O-NE2 3.17Å
59	S	93.6	Very high	92.2	Very high	42 Å²	42	70.5 Å²	70.5	29%	0.294	39%	0.385	S	S	.	.	T	Hydrogen-bonded Turn	trans	-59.3	-35.3	176.9	54.8	0	0	0	0	113.7	G61 A67 H68 Y70 D72	S59-G61 PolarHBondContact O-N 2.77Å; S59-A67 WeakPolarHBondContact O-CA 3.12Å; S59-H68 VanDerWaalsContact CA-CE1 3.45Å; S59-H68 WeakPolarHBondContact CA-CE1 3.42Å; S59-H68 PolarHBondContact O-N 3.13Å; S59-H68 VanDerWaalsContact O-O 3.05Å; S59-Y70 VanDerWaalsContact CB-O 3.23Å; S59-Y70 WeakPolarHBondContact CB-O 3.39Å; S59-D72 VanDerWaalsContact CB-OD1 3.23Å; S59-D72 WeakPolarHBondContact CB-OD1 3.23Å; S59-D72 PolarHBondContact N-OD1 2.8Å; S59-D72 PolarHBondContact OG-OD1 3.38Å
60	E	94.8	Very high	91.8	Very high	179 Å²	179	73.6 Å²	73.6	84%	0.836	40%	0.397	S	S	*	.	T	Hydrogen-bonded Turn	trans	-69.8	-8.8	174.5	-60.9	-174.6	168.1	0	0	113.4	P58 A67	P58-E60 VanDerWaalsContact C-N 3.28Å; P58-E60 PolarHBondContact O-N 2.94Å; E60-A67 WeakPolarHBondContact O-CB 3.45Å
61	G	91.3	Very high	91.5	Very high	20 Å²	20	71.6 Å²	71.6	21%	0.206	40%	0.399	C	S	.	.			trans	83.9	172.6	-174.4	0	0	0	0	0	112.9	P58 S59 T65	P58-G61 VanDerWaalsContact CG-O 3.3Å; P58-G61 WeakPolarHBondContact CG-O 3.42Å; P58-G61 WeakPolarHBondContact O-CA 3.45Å; P58-G61 PolarHBondContact O-N 2.88Å; S59-G61 PolarHBondContact O-N 2.77Å; G61-T65 CarbonylContact C-O 3.53Å; G61-T65 WeakPolarHBondContact CA-O 3.31Å
62	S	90.4	Very high	91.3	Very high	47 Å²	47	72.4 Å²	72.4	33%	0.329	40%	0.402	S	S	.	.			trans	-151.3	178.8	179.2	69.6	0	0	0	0	110.3	L64 T65	S62-L64 PolarHBondContact O-N 2.88Å; S62-L64 WeakPolarHBondContact OG-CB 3.47Å; S62-L64 PolarHBondContact OG-N 3.39Å; S62-L64 VanDerWaalsContact OG-N 3.11Å; S62-T65 PolarHBondContact N-O 2.83Å; S62-T65 PolarHBondContact O-N 3.27Å; S62-T65 PolarHBondContact OG-N 3.02Å; S62-T65 PolarHBondContact OG-OG1 3.46Å
63	N	85.3	Confident	91.2	Very high	178 Å²	178	69.6 Å²	69.6	95%	0.952	39%	0.385	S	S	*	.	S	Bend	trans	-62.2	-13.3	170.6	-61.3	-13.3	0	0	0	113.1
64	L	78.8	Confident	91.2	Very high	100 Å²	100	70.8 Å²	70.8	52%	0.524	39%	0.386	S	S	.	.	S	Bend	trans	-100.4	-29.9	-176.3	-62.2	175.1	0	0	0	112.5	Y31 V55 S62	Y31-L64 HydrophobicContact CE2-CB 3.65Å; Y31-L64 HydrophobicContact CE2-CD2 4.37Å; Y31-L64 HydrophobicContact CE2-CG 4.42Å; Y31-L64 WeakPolarHBondContact OH-CD1 3.37Å; V55-L64 HydrophobicContact CG2-CD1 4.49Å; S62-L64 PolarHBondContact O-N 2.88Å; S62-L64 WeakPolarHBondContact OG-CB 3.47Å; S62-L64 PolarHBondContact OG-N 3.39Å; S62-L64 VanDerWaalsContact OG-N 3.11Å
65	T	84.3	Confident	91.2	Very high	8 Å²	8	68.1 Å²	68.1	5%	0.049	37%	0.367	C	S	.	.	S	Bend	trans	-147.2	143.5	-175.2	55.1	0	0	0	0	112.1	L27 Y31 L57 G61 S62	L27-T65 HydrophobicContact CD1-CG2 4.38Å; Y31-T65 HydrophobicContact CD2-CG2 3.61Å; Y31-T65 HydrophobicContact CE2-CG2 4.24Å; Y31-T65 HydrophobicContact CG-CG2 4.11Å; L57-T65 HydrophobicContact CD2-CG2 3.22Å; L57-T65 WeakPolarHBondContact CD2-OG1 3.44Å; G61-T65 CarbonylContact C-O 3.53Å; G61-T65 WeakPolarHBondContact CA-O 3.31Å; S62-T65 PolarHBondContact N-O 2.83Å; S62-T65 PolarHBondContact O-N 3.27Å; S62-T65 PolarHBondContact OG-N 3.02Å; S62-T65 PolarHBondContact OG-OG1 3.46Å
66	P	87.1	Confident	91.3	Very high	97 Å²	97	69.5 Å²	69.5	63%	0.63	37%	0.371	S	S	*	.			trans	-63.7	160.8	176.2	29.2	-35.7	0	0	0	111.9
67	A	91.2	Very high	91.5	Very high	71 Å²	71	65.5 Å²	65.5	59%	0.587	36%	0.355	S	S	*	.			trans	-59.5	145.7	171.3	0	0	0	0	0	111.2	S59 E60	S59-A67 WeakPolarHBondContact O-CA 3.12Å; E60-A67 WeakPolarHBondContact O-CB 3.45Å
68	H	91	Very high	91.7	Very high	23 Å²	23	66.9 Å²	66.9	11%	0.106	36%	0.36	C	S	.	.			trans	-148.2	155.9	-176.3	60.4	68.2	0	0	0	112.9	L27 P58 S59 Y70 F73	L27-H68 HydrophobicContact CD2-CB 4.49Å; L27-H68 WeakPolarHBondContact CD2-CD2 3.2Å; P58-H68 PolarHBondContact O-NE2 3.17Å; S59-H68 VanDerWaalsContact CA-CE1 3.45Å; S59-H68 WeakPolarHBondContact CA-CE1 3.42Å; S59-H68 PolarHBondContact O-N 3.13Å; S59-H68 VanDerWaalsContact O-O 3.05Å; H68-Y70 VanDerWaalsContact C-N 3.3Å; H68-Y70 HydrophobicContact CB-CD2 4.18Å; H68-Y70 PolarHBondContact CE1-O 3.19Å; H68-Y70 VanDerWaalsContact CE1-O 3.27Å; H68-Y70 PolarHBondContact ND1-N 3.2Å; H68-Y70 PolarHBondContact ND1-O 3.21Å; H68-Y70 PolarHBondContact O-N 2.85Å; H68-F73 AromaticContact CE1-CE1 3.84Å; H68-F73 AromaticContact NE2-CE1 3.81Å
69	H	89.1	Confident	91.9	Very high	198 Å²	198	65.8 Å²	65.8	92%	0.917	35%	0.353	S	S	*	.	S	Bend	trans	-82.1	-1.8	-176.2	-56.6	-60	0	0	0	115
70	Y	88	Confident	92	Very high	75 Å²	75	64.2 Å²	64.2	29%	0.294	34%	0.342	S	S	.	.	S	Bend	trans	-83.3	150	177.4	-44.3	-54.3	0	0	0	111.1	A20 G23 S59 H68	A20-Y70 HydrophobicContact CB-CD1 3.92Å; G23-Y70 VanDerWaalsContact CA-CZ 3.45Å; G23-Y70 WeakPolarHBondContact CA-OH 3.49Å; S59-Y70 VanDerWaalsContact CB-O 3.23Å; S59-Y70 WeakPolarHBondContact CB-O 3.39Å; H68-Y70 VanDerWaalsContact C-N 3.3Å; H68-Y70 HydrophobicContact CB-CD2 4.18Å; H68-Y70 PolarHBondContact CE1-O 3.19Å; H68-Y70 VanDerWaalsContact CE1-O 3.27Å; H68-Y70 PolarHBondContact ND1-N 3.2Å; H68-Y70 PolarHBondContact ND1-O 3.21Å; H68-Y70 PolarHBondContact O-N 2.85Å
71	P	89.5	Confident	92.1	Very high	82 Å²	82	56.5 Å²	56.5	53%	0.532	31%	0.306	S	S	.	.	P	Polyproline II helix	trans	-57.8	152	174.5	-21.5	32.3	0	0	0	111.8	F73	P71-F73 WeakPolarHBondContact O-CD1 3.48Å; P71-F73 PolarHBondContact O-N 2.99Å
72	D	93.5	Very high	92.4	Very high	70 Å²	70	55.5 Å²	55.5	37%	0.374	30%	0.296	S	S	.	.	P	Polyproline II helix	trans	-49.3	134.7	172.7	-66.4	7.5	0	0	0	111.5	F56 S59 T170	F56-D72 HydrophobicContact CE2-CB 4.03Å; F56-D72 HydrophobicContact CZ-CB 3.92Å; S59-D72 VanDerWaalsContact CB-OD1 3.23Å; S59-D72 WeakPolarHBondContact CB-OD1 3.23Å; S59-D72 PolarHBondContact N-OD1 2.8Å; S59-D72 PolarHBondContact OG-OD1 3.38Å; D72-T170 PolarHBondContact O-OG1 2.91Å
73	F	94.8	Very high	92.7	Very high	3 Å²	3	53.5 Å²	53.5	1%	0.013	28%	0.282	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-147.7	154.9	-179.6	69.5	-77.5	0	0	0	112.5	A24 L27 F56 L57 H68 P71 F75 I168 Q169	A24-F73 HydrophobicContact CB-CD1 4.44Å; A24-F73 HydrophobicContact CB-CD2 4.36Å; A24-F73 HydrophobicContact CB-CE1 4.1Å; A24-F73 HydrophobicContact CB-CE2 3.98Å; A24-F73 HydrophobicContact CB-CZ 3.83Å; L27-F73 HydrophobicContact CB-CZ 4.49Å; L27-F73 HydrophobicContact CD2-CE1 4.12Å; L27-F73 HydrophobicContact CD2-CZ 4.02Å; L27-F73 HydrophobicContact CG-CZ 4.46Å; F56-F73 WeakPolarHBondContact CD2-O 3.5Å; L57-F73 HydrophobicContact CB-CD1 4.07Å; L57-F73 HydrophobicContact CB-CD2 4.48Å; L57-F73 HydrophobicContact CB-CE1 3.72Å; L57-F73 HydrophobicContact CB-CE2 4.19Å; L57-F73 HydrophobicContact CB-CG 4.45Å; L57-F73 HydrophobicContact CB-CZ 3.8Å; L57-F73 HydrophobicContact CD1-CD2 4.23Å; L57-F73 HydrophobicContact CD1-CE1 4.19Å; L57-F73 HydrophobicContact CD1-CE2 3.4Å; L57-F73 HydrophobicContact CD1-CZ 3.37Å; L57-F73 HydrophobicContact CG-CE2 4.38Å; L57-F73 HydrophobicContact CG-CZ 4.21Å; L57-F73 PolarHBondContact N-O 2.97Å; L57-F73 PolarHBondContact O-N 3.23Å; L57-F73 VanDerWaalsContact O-N 3.13Å; H68-F73 AromaticContact CE1-CE1 3.84Å; H68-F73 AromaticContact NE2-CE1 3.81Å; P71-F73 WeakPolarHBondContact O-CD1 3.48Å; P71-F73 PolarHBondContact O-N 2.99Å; F73-F75 HydrophobicContact CD2-CB 4.28Å; F73-F75 HydrophobicContact CD2-CD2 4.48Å; F73-F75 HydrophobicContact CE2-CB 4.05Å; F73-F75 AromaticContact CE2-CD2 3.96Å; F73-F75 HydrophobicContact CE2-CD2 3.96Å; F73-F75 HydrophobicContact CE2-CG 4.46Å; F73-I168 HydrophobicContact CB-CG2 4.2Å; F73-I168 HydrophobicContact CD2-CG2 3.91Å; F73-I168 HydrophobicContact CG-CG2 4.34Å; F73-Q169 CarbonylContact C-O 3.57Å; F73-Q169 VanDerWaalsContact CA-O 3.28Å; F73-Q169 WeakPolarHBondContact CA-O 3.34Å; F73-Q169 WeakPolarHBondContact CB-O 3.32Å
74	R	96.1	Very high	93.2	Very high	100 Å²	100	45.8 Å²	45.8	38%	0.377	24%	0.239	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-103.1	126	169.3	-176.5	176.3	-65.5	-74.1	2.2	108.8	S54 V55 Q169	S54-R74 VanDerWaalsContact OG-CD 3.24Å; S54-R74 WeakPolarHBondContact OG-CD 3.28Å; S54-R74 WeakPolarHBondContact OG-CG 3.21Å; S54-R74 PolarHBondContact OG-NH1 3.17Å; V55-R74 CarbonylContact O-C 3.56Å; V55-R74 VanDerWaalsContact O-CA 3.3Å; V55-R74 WeakPolarHBondContact O-CA 3.42Å; V55-R74 WeakPolarHBondContact O-CG 3.35Å; R74-Q169 HydrophobicContact CB-CB 4.22Å; R74-Q169 PolarHBondContact N-O 3.44Å; R74-Q169 PolarHBondContact O-N 3.49Å
75	F	97.3	Very high	94	Very high	1 Å²	1	43.6 Å²	43.6	0%	0.004	22%	0.224	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-104.1	124.2	177.5	-163.2	-91.8	0	0	0	110	I29 T32 S54 V55 L57 F73 Y166 I168	I29-F75 HydrophobicContact CG1-CZ 3.94Å; T32-F75 HydrophobicContact CG2-CD1 3.78Å; T32-F75 HydrophobicContact CG2-CE1 4.11Å; S54-F75 WeakPolarHBondContact CA-O 3.21Å; V55-F75 HydrophobicContact CG1-CB 3.92Å; V55-F75 PolarHBondContact N-O 2.84Å; V55-F75 PolarHBondContact O-N 3.47Å; L57-F75 HydrophobicContact CD1-CB 3.87Å; F73-F75 HydrophobicContact CD2-CB 4.28Å; F73-F75 HydrophobicContact CD2-CD2 4.48Å; F73-F75 HydrophobicContact CE2-CB 4.05Å; F73-F75 AromaticContact CE2-CD2 3.96Å; F73-F75 HydrophobicContact CE2-CD2 3.96Å; F73-F75 HydrophobicContact CE2-CG 4.46Å; F75-Y166 AromaticContact CE1-CD1 3.55Å; F75-Y166 HydrophobicContact CE1-CD1 3.55Å; F75-Y166 HydrophobicContact CE1-CE1 4.31Å; F75-Y166 HydrophobicContact CE1-CG 4.06Å; F75-Y166 AromaticContact CZ-CD1 3.74Å; F75-Y166 HydrophobicContact CZ-CD1 3.74Å; F75-Y166 AromaticContact CZ-CG 3.77Å; F75-Y166 HydrophobicContact CZ-CG 3.77Å; F75-I168 HydrophobicContact CD2-CD1 4.47Å; F75-I168 HydrophobicContact CD2-CG1 3.66Å; F75-I168 HydrophobicContact CE2-CD1 4.22Å; F75-I168 HydrophobicContact CE2-CG1 3.73Å
76	K	98.1	Very high	94.5	Very high	49 Å²	49	43.2 Å²	43.2	21%	0.213	22%	0.222	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-111.1	133	178.8	-65.7	-179.2	166.7	169.2	0	110.8	V52 E53 Y78 Y166 C167 Q169	V52-K76 HydrophobicContact CG1-CB 4.18Å; V52-K76 HydrophobicContact CG1-CD 4.5Å; E53-K76 CarbonylContact O-C 3.6Å; E53-K76 WeakPolarHBondContact O-CA 3.48Å; K76-Y78 HydrophobicContact CB-CE2 4.16Å; K76-Y166 CarbonylContact O-C 3.57Å; K76-Y166 VanDerWaalsContact O-CA 3.23Å; K76-Y166 WeakPolarHBondContact O-CA 3.38Å; K76-C167 HydrophobicContact CB-CB 4.08Å; K76-C167 PolarHBondContact N-O 3.49Å; K76-C167 PolarHBondContact O-N 2.99Å; K76-Q169 HydrophobicContact CD-CG 4.42Å; K76-Q169 VanDerWaalsContact NZ-CD 3.28Å
77	T	98.4	Very high	94.9	Very high	10 Å²	10	39 Å²	39	6%	0.061	19%	0.193	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-114.1	121.3	175.5	-55.4	0	0	0	0	109.1	T32 V52 E53 P80 Y166	T32-T77 WeakPolarHBondContact CB-OG1 2.88Å; T32-T77 WeakPolarHBondContact CG2-OG1 3.03Å; T32-T77 PolarHBondContact OG1-OG1 3.33Å; V52-T77 CarbonylContact C-O 3.59Å; V52-T77 WeakPolarHBondContact CA-O 3.16Å; E53-T77 PolarHBondContact N-O 2.85Å; E53-T77 PolarHBondContact O-N 2.99Å; T77-P80 HydrophobicContact CG2-CB 3.89Å; T77-Y166 HydrophobicContact CG2-CD1 4.03Å; T77-Y166 HydrophobicContact CG2-CE1 3.83Å
78	Y	98.5	Very high	94.9	Very high	28 Å²	28	39.3 Å²	39.3	11%	0.11	19%	0.185	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-93.5	134.9	-179.8	-65	-103.6	0	0	0	109.5	V52 K76 F83 L165 C167	V52-Y78 HydrophobicContact CB-CD1 4.45Å; V52-Y78 HydrophobicContact CG1-CD1 4.12Å; V52-Y78 HydrophobicContact CG1-CE1 4.04Å; V52-Y78 HydrophobicContact CG1-CE2 4.5Å; V52-Y78 HydrophobicContact CG1-CG 4.37Å; V52-Y78 HydrophobicContact CG2-CD1 3.49Å; V52-Y78 VanDerWaalsContact CG2-CD1 3.49Å; V52-Y78 HydrophobicContact CG2-CE1 3.77Å; V52-Y78 HydrophobicContact CG2-CG 4.24Å; K76-Y78 HydrophobicContact CB-CE2 4.16Å; Y78-F83 WeakPolarHBondContact O-CD2 3.21Å; Y78-F83 WeakPolarHBondContact O-CE2 3.42Å; Y78-L165 HydrophobicContact CD1-CD2 4.29Å; Y78-L165 HydrophobicContact CD2-CD2 4.31Å; Y78-L165 HydrophobicContact CD2-CG 3.84Å; Y78-L165 WeakPolarHBondContact CD2-O 3.39Å; Y78-L165 HydrophobicContact CG-CD2 3.87Å; Y78-L165 HydrophobicContact CG-CG 3.87Å; Y78-L165 PolarHBondContact N-O 3.13Å; Y78-C167 HydrophobicContact CE2-CB 3.64Å
79	A	98	Very high	94.9	Very high	0 Å²	0	41.9 Å²	41.9	0%	0	20%	0.199	C	C	.	.	S	Bend	trans	45	52.5	176.9	0	0	0	0	0	114.1	D48 V51 L81 A82 F83 L144	D48-A79 WeakPolarHBondContact O-CA 3.38Å; D48-A79 WeakPolarHBondContact O-CB 3.15Å; V51-A79 PolarHBondContact O-N 3.46Å; A79-L81 VanDerWaalsContact C-N 3.3Å; A79-L81 PolarHBondContact O-N 2.91Å; A79-A82 HydrophobicContact CB-CB 3.98Å; A79-A82 PolarHBondContact O-N 3Å; A79-F83 HydrophobicContact CB-CD2 4.23Å; A79-F83 HydrophobicContact CB-CE2 4.23Å; A79-F83 WeakPolarHBondContact O-CD2 3.24Å; A79-F83 PolarHBondContact O-N 2.94Å; A79-F83 VanDerWaalsContact O-N 3.08Å; A79-L144 HydrophobicContact CB-CD1 3.52Å
80	P	97.2	Very high	94.9	Very high	10 Å²	10	33.8 Å²	33.8	7%	0.065	16%	0.161	C	C	.	.	H	α-helix	trans	-54.1	-43.9	-170.4	19.8	-32	0	0	0	113	L36 V51 E53 T77 F83 R84	L36-P80 HydrophobicContact CD1-CB 4.48Å; L36-P80 HydrophobicContact CD2-CB 4.12Å; L36-P80 WeakPolarHBondContact CD2-O 3.32Å; V51-P80 HydrophobicContact CG1-CG 4.37Å; E53-P80 HydrophobicContact CG-CG 4.1Å; T77-P80 HydrophobicContact CG2-CB 3.89Å; P80-F83 PolarHBondContact O-N 3.46Å; P80-R84 PolarHBondContact O-N 3.12Å
81	L	96.3	Very high	95.1	Very high	16 Å²	16	32.4 Å²	32.4	8%	0.084	17%	0.171	C	C	.	.	H	α-helix	trans	-68.1	-38.2	-179.8	-176.4	59.8	0	0	0	112.7	R42 V44 D48 A79 F83 R84 Y85	R42-L81 HydrophobicContact CG-CD2 4.07Å; R42-L81 VanDerWaalsContact NH2-CD2 3.32Å; V44-L81 HydrophobicContact CG2-CG 4.41Å; D48-L81 HydrophobicContact CB-CB 4.45Å; A79-L81 VanDerWaalsContact C-N 3.3Å; A79-L81 PolarHBondContact O-N 2.91Å; L81-F83 PolarHBondContact O-N 3.41Å; L81-R84 PolarHBondContact O-N 2.65Å; L81-Y85 PolarHBondContact O-N 3.13Å
82	A	96.8	Very high	95.2	Very high	0 Å²	0	28.6 Å²	28.6	0%	0	15%	0.146	C	C	.	.	H	α-helix	trans	-63.7	-41.4	176	0	0	0	0	0	111.5	V44 F49 A79 Y85 F86	V44-A82 HydrophobicContact CG1-CB 4.28Å; F49-A82 HydrophobicContact CD1-CB 3.6Å; F49-A82 HydrophobicContact CE1-CB 3.65Å; A79-A82 HydrophobicContact CB-CB 3.98Å; A79-A82 PolarHBondContact O-N 3Å; A82-Y85 WeakPolarHBondContact O-CB 3.37Å; A82-Y85 PolarHBondContact O-N 3.32Å; A82-F86 HydrophobicContact CB-CE2 4.16Å; A82-F86 HydrophobicContact CB-CZ 4.39Å; A82-F86 WeakPolarHBondContact O-CD2 3.27Å; A82-F86 WeakPolarHBondContact O-CG 3.33Å; A82-F86 PolarHBondContact O-N 2.83Å
83	F	97.8	Very high	95.2	Very high	5 Å²	5	31.8 Å²	31.8	2%	0.022	16%	0.156	C	C	.	.	H	α-helix	trans	-74.6	-24.2	176.5	-75.1	-69.9	0	0	0	113.9	Y78 A79 P80 L81 F86 R87 L144 F162 Y163 L165	Y78-F83 WeakPolarHBondContact O-CD2 3.21Å; Y78-F83 WeakPolarHBondContact O-CE2 3.42Å; A79-F83 HydrophobicContact CB-CD2 4.23Å; A79-F83 HydrophobicContact CB-CE2 4.23Å; A79-F83 WeakPolarHBondContact O-CD2 3.24Å; A79-F83 PolarHBondContact O-N 2.94Å; A79-F83 VanDerWaalsContact O-N 3.08Å; P80-F83 PolarHBondContact O-N 3.46Å; L81-F83 PolarHBondContact O-N 3.41Å; F83-F86 AromaticContact CD1-CD2 3.84Å; F83-F86 HydrophobicContact CD1-CD2 3.84Å; F83-F86 HydrophobicContact CD1-CE2 4.5Å; F83-F86 HydrophobicContact CE1-CD2 4.2Å; F83-F86 HydrophobicContact CG-CD2 4.43Å; F83-R87 VanDerWaalsContact O-CG 3.31Å; F83-R87 WeakPolarHBondContact O-CG 3.32Å; F83-R87 PolarHBondContact O-N 3.46Å; F83-R87 VanDerWaalsContact O-N 3.16Å; F83-R87 PolarHBondContact O-NE 2.89Å; F83-L144 HydrophobicContact CE1-CD2 4.45Å; F83-L144 HydrophobicContact CE2-CD1 4.16Å; F83-L144 HydrophobicContact CE2-CD2 4.49Å; F83-L144 HydrophobicContact CZ-CD1 4.38Å; F83-L144 HydrophobicContact CZ-CD2 3.9Å; F83-F162 HydrophobicContact CE1-CB 3.81Å; F83-Y163 VanDerWaalsContact CD1-C 3.49Å; F83-L165 HydrophobicContact CE2-CB 3.64Å; F83-L165 HydrophobicContact CZ-CB 3.68Å
84	R	96.2	Very high	95.1	Very high	16 Å²	16	33.6 Å²	33.6	6%	0.06	17%	0.168	C	C	.	.	H	α-helix	trans	-61.2	-55.5	163.8	-179.1	172	72	175.4	5.1	109.7	L36 K39 P40 D41 P80 L81 F86 R87 D88	L36-R84 HydrophobicContact CD2-CB 3.93Å; L36-R84 PolarHBondContact O-NH1 3.2Å; K39-R84 PolarHBondContact O-NH1 2.88Å; P40-R84 PolarHBondContact O-NH2 2.92Å; D41-R84 IonicContact OD1-CZ 3.15Å; D41-R84 IonicContact OD1-NE 2.68Å; D41-R84 IonicContact OD1-NH1 3.11Å; D41-R84 PolarHBondContact OD1-NH1 3.48Å; D41-R84 IonicContact OD1-NH2 3.4Å; D41-R84 PolarHBondContact OD1-NH2 2.88Å; P80-R84 PolarHBondContact O-N 3.12Å; L81-R84 PolarHBondContact O-N 2.65Å; R84-F86 VanDerWaalsContact C-N 3.31Å; R84-F86 PolarHBondContact O-N 3.34Å; R84-R87 WeakPolarHBondContact O-CB 3.43Å; R84-R87 PolarHBondContact O-N 3.45Å; R84-D88 VanDerWaalsContact O-CG 3.24Å; R84-D88 PolarHBondContact O-N 2.95Å
85	Y	95.1	Very high	95	Very high	53 Å²	53	34.5 Å²	34.5	21%	0.208	18%	0.181	C	C	.	.	H	α-helix	trans	-55.4	-42.3	178.3	178.3	-93.6	0	0	0	113.4	V44 L81 A82 D88 L89 Y148 N152	V44-Y85 VanDerWaalsContact CG2-CB 3.42Å; V44-Y85 HydrophobicContact CG2-CD1 4.24Å; V44-Y85 HydrophobicContact CG2-CD2 3.99Å; V44-Y85 HydrophobicContact CG2-CG 3.63Å; L81-Y85 PolarHBondContact O-N 3.13Å; A82-Y85 WeakPolarHBondContact O-CB 3.37Å; A82-Y85 PolarHBondContact O-N 3.32Å; Y85-D88 PolarHBondContact O-N 2.86Å; Y85-L89 HydrophobicContact CD1-CD1 3.9Å; Y85-L89 HydrophobicContact CD1-CG 4.14Å; Y85-L89 HydrophobicContact CE1-CD1 3.19Å; Y85-L89 HydrophobicContact CE1-CD2 4.31Å; Y85-L89 HydrophobicContact CE1-CG 3.63Å; Y85-L89 HydrophobicContact CE2-CG 4.46Å; Y85-L89 PolarHBondContact O-N 2.57Å; Y85-Y148 AromaticContact CD1-CD2 3.86Å; Y85-Y148 HydrophobicContact CD1-CD2 3.86Å; Y85-Y148 AromaticContact CD1-CE2 3.72Å; Y85-Y148 HydrophobicContact CD1-CE2 3.72Å; Y85-Y148 AromaticContact CE1-CD2 3.53Å; Y85-Y148 HydrophobicContact CE1-CD2 3.53Å; Y85-Y148 AromaticContact CE1-CE2 3.16Å; Y85-Y148 HydrophobicContact CE1-CE2 3.16Å; Y85-Y148 HydrophobicContact CE2-CE2 4.38Å; Y85-Y148 AromaticContact CZ-CE2 3.58Å; Y85-N152 PolarHBondContact OH-OD1 3.12Å
86	F	95.3	Very high	94.8	Very high	0 Å²	0	37.4 Å²	37.4	0%	0	20%	0.196	C	C	.	.	H	α-helix	trans	-64.3	-40.9	176.4	-60.7	-32.8	0	0	0	112.5	F49 A82 F83 R84 D88 L89 F90 L144 Y147 Y148 L151	F49-F86 HydrophobicContact CE1-CZ 4.03Å; A82-F86 HydrophobicContact CB-CE2 4.16Å; A82-F86 HydrophobicContact CB-CZ 4.39Å; A82-F86 WeakPolarHBondContact O-CD2 3.27Å; A82-F86 WeakPolarHBondContact O-CG 3.33Å; A82-F86 PolarHBondContact O-N 2.83Å; F83-F86 AromaticContact CD1-CD2 3.84Å; F83-F86 HydrophobicContact CD1-CD2 3.84Å; F83-F86 HydrophobicContact CD1-CE2 4.5Å; F83-F86 HydrophobicContact CE1-CD2 4.2Å; F83-F86 HydrophobicContact CG-CD2 4.43Å; R84-F86 VanDerWaalsContact C-N 3.31Å; R84-F86 PolarHBondContact O-N 3.34Å; F86-D88 VanDerWaalsContact C-N 3.33Å; F86-L89 PolarHBondContact O-N 3.43Å; F86-F90 WeakPolarHBondContact O-CD2 3.46Å; F86-F90 WeakPolarHBondContact O-CG 3.47Å; F86-F90 PolarHBondContact O-N 3.16Å; F86-F90 VanDerWaalsContact O-N 3.14Å; F86-L144 HydrophobicContact CE2-CD2 4.16Å; F86-Y147 HydrophobicContact CD2-CD1 4.36Å; F86-Y147 HydrophobicContact CD2-CE1 4.27Å; F86-Y147 HydrophobicContact CE1-CD1 4.18Å; F86-Y147 AromaticContact CE2-CD1 3.98Å; F86-Y147 HydrophobicContact CE2-CD1 3.98Å; F86-Y147 HydrophobicContact CE2-CE1 4.35Å; F86-Y147 HydrophobicContact CG-CE1 4.38Å; F86-Y147 AromaticContact CZ-CD1 3.87Å; F86-Y147 HydrophobicContact CZ-CD1 3.87Å; F86-Y147 HydrophobicContact CZ-CE1 4.49Å; F86-Y148 HydrophobicContact CE1-CD2 4.01Å; F86-Y148 HydrophobicContact CE1-CG 4.49Å; F86-L151 HydrophobicContact CD1-CD1 3.58Å; F86-L151 HydrophobicContact CE1-CD1 4.02Å; F86-L151 HydrophobicContact CG-CD1 4.23Å
87	R	95.1	Very high	94.7	Very high	9 Å²	9	35.1 Å²	35.1	3%	0.034	19%	0.186	C	C	.	.	H	α-helix	trans	-61.9	-43.3	174.6	-75.9	178.3	-67.6	157.2	2.4	111.2	V33 F83 R84 L89 F90 G91 I92 Y163	V33-R87 VanDerWaalsContact CG1-NH1 3.32Å; F83-R87 VanDerWaalsContact O-CG 3.31Å; F83-R87 WeakPolarHBondContact O-CG 3.32Å; F83-R87 PolarHBondContact O-N 3.46Å; F83-R87 VanDerWaalsContact O-N 3.16Å; F83-R87 PolarHBondContact O-NE 2.89Å; R84-R87 WeakPolarHBondContact O-CB 3.43Å; R84-R87 PolarHBondContact O-N 3.45Å; R87-L89 PolarHBondContact O-N 3.43Å; R87-F90 CarbonylContact O-C 3.48Å; R87-F90 PolarHBondContact O-N 2.92Å; R87-F90 VanDerWaalsContact O-N 3.09Å; R87-G91 PolarHBondContact O-N 3.07Å; R87-G91 VanDerWaalsContact O-N 3.12Å; R87-I92 HydrophobicContact CB-CB 4.07Å; R87-I92 HydrophobicContact CB-CG2 4.39Å; R87-I92 HydrophobicContact CG-CB 4.44Å; R87-I92 HydrophobicContact CG-CG2 4.41Å; R87-I92 PolarHBondContact O-N 3.01Å; R87-Y163 HydrophobicContact CG-CD1 4.08Å; R87-Y163 HydrophobicContact CG-CG 4.32Å
88	D	91.9	Very high	94.5	Very high	78 Å²	78	36 Å²	36	42%	0.417	19%	0.19	S	C	.	.	H	α-helix	trans	-61.6	-44.9	177.5	-57.1	-28	0	0	0	111.4	R84 Y85 F86 F90 G91	R84-D88 VanDerWaalsContact O-CG 3.24Å; R84-D88 PolarHBondContact O-N 2.95Å; Y85-D88 PolarHBondContact O-N 2.86Å; F86-D88 VanDerWaalsContact C-N 3.33Å; D88-F90 PolarHBondContact O-N 2.96Å; D88-G91 PolarHBondContact O-N 2.51Å
89	L	90.4	Very high	94.3	Very high	76 Å²	76	40.7 Å²	40.7	40%	0.398	21%	0.209	S	C	.	.	H	α-helix	trans	-58.6	-31.2	174.4	-81.8	-172.8	0	0	0	113.3	Y85 F86 R87 L151	Y85-L89 HydrophobicContact CD1-CD1 3.9Å; Y85-L89 HydrophobicContact CD1-CG 4.14Å; Y85-L89 HydrophobicContact CE1-CD1 3.19Å; Y85-L89 HydrophobicContact CE1-CD2 4.31Å; Y85-L89 HydrophobicContact CE1-CG 3.63Å; Y85-L89 HydrophobicContact CE2-CG 4.46Å; Y85-L89 PolarHBondContact O-N 2.57Å; F86-L89 PolarHBondContact O-N 3.43Å; R87-L89 PolarHBondContact O-N 3.43Å; L89-L151 HydrophobicContact CD1-CB 4.06Å; L89-L151 HydrophobicContact CD1-CD1 4.15Å
90	F	89.6	Confident	94.1	Very high	28 Å²	28	40.9 Å²	40.9	12%	0.123	21%	0.21	C	C	.	.	T	Hydrogen-bonded Turn	trans	-93.2	8.7	177.6	-65.3	-54.7	0	0	0	113.3	F86 R87 D88 I92 L151 K161 Y163 Y293	F86-F90 WeakPolarHBondContact O-CD2 3.46Å; F86-F90 WeakPolarHBondContact O-CG 3.47Å; F86-F90 PolarHBondContact O-N 3.16Å; F86-F90 VanDerWaalsContact O-N 3.14Å; R87-F90 CarbonylContact O-C 3.48Å; R87-F90 PolarHBondContact O-N 2.92Å; R87-F90 VanDerWaalsContact O-N 3.09Å; D88-F90 PolarHBondContact O-N 2.96Å; F90-I92 VanDerWaalsContact C-N 3.29Å; F90-I92 HydrophobicContact CB-CD1 4.1Å; F90-I92 HydrophobicContact CB-CG1 4.45Å; F90-I92 PolarHBondContact O-N 3.37Å; F90-L151 HydrophobicContact CE1-CD2 4.14Å; F90-L151 HydrophobicContact CE2-CD1 3.97Å; F90-L151 HydrophobicContact CE2-CD2 4.46Å; F90-L151 HydrophobicContact CZ-CD1 3.83Å; F90-L151 HydrophobicContact CZ-CD2 3.54Å; F90-L151 HydrophobicContact CZ-CG 4.34Å; F90-K161 HydrophobicContact CD1-CD 3.74Å; F90-K161 HydrophobicContact CD1-CG 4.23Å; F90-K161 HydrophobicContact CD2-CB 4.14Å; F90-K161 HydrophobicContact CE1-CB 4.32Å; F90-K161 HydrophobicContact CE1-CD 3.75Å; F90-K161 HydrophobicContact CE1-CG 3.77Å; F90-K161 HydrophobicContact CE2-CB 3.76Å; F90-K161 HydrophobicContact CE2-CG 4.13Å; F90-K161 HydrophobicContact CG-CD 4.15Å; F90-K161 HydrophobicContact CZ-CB 3.84Å; F90-K161 HydrophobicContact CZ-CD 4.16Å; F90-K161 HydrophobicContact CZ-CG 3.69Å; F90-Y163 HydrophobicContact CB-CE1 4.15Å; F90-Y163 HydrophobicContact CD2-CD1 4.12Å; F90-Y163 AromaticContact CD2-CE1 3.51Å; F90-Y163 HydrophobicContact CD2-CE1 3.51Å; F90-Y163 HydrophobicContact CE2-CE1 4.17Å; F90-Y163 HydrophobicContact CG-CE1 4.08Å; F90-Y293 WeakPolarHBondContact O-CD1 3.49Å; F90-Y293 WeakPolarHBondContact O-CE1 3.32Å
91	G	90.6	Very high	94	Very high	47 Å²	47	40.5 Å²	40.5	49%	0.485	21%	0.207	S	C	.	.	T	Hydrogen-bonded Turn	trans	70.4	21.4	177.6	0	0	0	0	0	114.5	R87 D88 Y293	R87-G91 PolarHBondContact O-N 3.07Å; R87-G91 VanDerWaalsContact O-N 3.12Å; D88-G91 PolarHBondContact O-N 2.51Å; G91-Y293 WeakPolarHBondContact O-CE1 3.4Å; G91-Y293 PolarHBondContact O-OH 2.75Å
92	I	92.3	Very high	93.9	Very high	2 Å²	2	41.4 Å²	41.4	1%	0.01	21%	0.213	C	C	.	.			trans	-92.5	108.6	-179.5	-64	161.4	0	0	0	109	R87 F90 Y97 F127 Y163 Y293	R87-I92 HydrophobicContact CB-CB 4.07Å; R87-I92 HydrophobicContact CB-CG2 4.39Å; R87-I92 HydrophobicContact CG-CB 4.44Å; R87-I92 HydrophobicContact CG-CG2 4.41Å; R87-I92 PolarHBondContact O-N 3.01Å; F90-I92 VanDerWaalsContact C-N 3.29Å; F90-I92 HydrophobicContact CB-CD1 4.1Å; F90-I92 HydrophobicContact CB-CG1 4.45Å; F90-I92 PolarHBondContact O-N 3.37Å; I92-Y97 HydrophobicContact CG2-CD2 3.96Å; I92-Y97 HydrophobicContact CG2-CG 4.27Å; I92-F127 HydrophobicContact CD1-CE1 3.88Å; I92-F127 HydrophobicContact CD1-CZ 4.35Å; I92-F127 HydrophobicContact CG2-CZ 4.13Å; I92-Y163 HydrophobicContact CD1-CD1 3.57Å; I92-Y163 HydrophobicContact CD1-CD2 4.15Å; I92-Y163 HydrophobicContact CD1-CE1 3.19Å; I92-Y163 HydrophobicContact CD1-CE2 3.79Å; I92-Y163 HydrophobicContact CD1-CG 4.03Å; I92-Y293 HydrophobicContact CB-CE1 4.45Å; I92-Y293 HydrophobicContact CG1-CD1 3.82Å; I92-Y293 HydrophobicContact CG1-CD2 4.4Å; I92-Y293 HydrophobicContact CG1-CE1 3.52Å; I92-Y293 HydrophobicContact CG1-CE2 4.14Å; I92-Y293 HydrophobicContact CG1-CG 4.25Å
93	K	93.1	Very high	93.6	Very high	137 Å²	137	46.5 Å²	46.5	60%	0.596	24%	0.241	S	C	*	.			trans	-70.4	148.5	176	-60.3	179	-178.9	172.5	0	110.5	D95 D96 Y97	K93-D95 VanDerWaalsContact C-N 3.27Å; K93-D95 PolarHBondContact O-N 3.45Å; K93-D96 HydrophobicContact CB-CB 4.4Å; K93-D96 WeakPolarHBondContact CB-OD2 3.23Å; K93-D96 PolarHBondContact O-N 2.99Å; K93-Y97 WeakPolarHBondContact O-CB 3.29Å; K93-Y97 PolarHBondContact O-N 2.59Å
94	P	93.3	Very high	93.4	Very high	40 Å²	40	49.4 Å²	49.4	26%	0.26	25%	0.254	S	S	.	.	H	α-helix	trans	-55.5	-41.4	176.6	-27	35.2	0	0	0	113.4	T37 Y97 L98	T37-P94 HydrophobicContact CG2-CB 3.8Å; T37-P94 HydrophobicContact CG2-CG 4.35Å; P94-Y97 PolarHBondContact O-N 3.02Å; P94-L98 WeakPolarHBondContact O-CB 3.29Å; P94-L98 VanDerWaalsContact O-CG 3.29Å; P94-L98 WeakPolarHBondContact O-CG 3.04Å; P94-L98 PolarHBondContact O-N 2.79Å
95	D	93.5	Very high	93.2	Very high	120 Å²	120	52.6 Å²	52.6	64%	0.642	28%	0.277	S	S	*	.	H	α-helix	trans	-66.6	-43.3	-178.8	-63.3	-25.8	0	0	0	111.9	K93 L98 Y99	K93-D95 VanDerWaalsContact C-N 3.27Å; K93-D95 PolarHBondContact O-N 3.45Å; D95-L98 PolarHBondContact O-N 3.28Å; D95-Y99 WeakPolarHBondContact O-CB 3.2Å; D95-Y99 PolarHBondContact O-N 2.96Å
96	D	93.4	Very high	93.2	Very high	62 Å²	62	50.5 Å²	50.5	33%	0.332	27%	0.27	S	S	.	.	H	α-helix	trans	-62.6	-47.2	176.2	-60.6	-29	0	0	0	109.9	K93 L98 Y99 S100	K93-D96 HydrophobicContact CB-CB 4.4Å; K93-D96 WeakPolarHBondContact CB-OD2 3.23Å; K93-D96 PolarHBondContact O-N 2.99Å; D96-L98 VanDerWaalsContact C-N 3.32Å; D96-L98 PolarHBondContact O-N 3.37Å; D96-Y99 PolarHBondContact O-N 3.29Å; D96-S100 PolarHBondContact O-N 2.86Å; D96-S100 PolarHBondContact O-OG 2.78Å
97	Y	95.6	Very high	93	Very high	0 Å²	0	53.2 Å²	53.2	0%	0	28%	0.284	C	S	.	.	H	α-helix	trans	-58.1	-43	176.8	-170.8	-106.5	0	0	0	112.9	I29 V33 I92 K93 P94 L101 F127 Y163 Y166 V179	I29-Y97 HydrophobicContact CG2-CE1 4.1Å; V33-Y97 HydrophobicContact CG1-CD1 4.36Å; V33-Y97 HydrophobicContact CG2-CD1 4.3Å; V33-Y97 HydrophobicContact CG2-CE1 4.05Å; I92-Y97 HydrophobicContact CG2-CD2 3.96Å; I92-Y97 HydrophobicContact CG2-CG 4.27Å; K93-Y97 WeakPolarHBondContact O-CB 3.29Å; K93-Y97 PolarHBondContact O-N 2.59Å; P94-Y97 PolarHBondContact O-N 3.02Å; Y97-L101 HydrophobicContact CD1-CD1 3.8Å; Y97-L101 HydrophobicContact CD2-CD1 3.72Å; Y97-L101 HydrophobicContact CE1-CD1 3.4Å; Y97-L101 VanDerWaalsContact CE1-CD1 3.4Å; Y97-L101 HydrophobicContact CE2-CD1 3.31Å; Y97-L101 HydrophobicContact CG-CD1 3.96Å; Y97-L101 WeakPolarHBondContact O-CB 3.17Å; Y97-L101 PolarHBondContact O-N 3.16Å; Y97-F127 HydrophobicContact CD2-CE1 4.05Å; Y97-F127 HydrophobicContact CD2-CE2 4.32Å; Y97-F127 AromaticContact CD2-CZ 3.91Å; Y97-F127 HydrophobicContact CD2-CZ 3.91Å; Y97-F127 HydrophobicContact CE2-CD1 4.44Å; Y97-F127 HydrophobicContact CE2-CE1 4.29Å; Y97-Y163 HydrophobicContact CE2-CG 4.38Å; Y97-Y163 PolarHBondContact OH-O 3.16Å; Y97-Y166 PolarHBondContact OH-OH 3.35Å; Y97-V179 HydrophobicContact CE2-CG1 3.97Å; Y97-V179 WeakPolarHBondContact OH-CB 3.06Å; Y97-V179 WeakPolarHBondContact OH-CG1 3.06Å
98	L	95.6	Very high	92.8	Very high	29 Å²	29	56.8 Å²	56.8	15%	0.152	30%	0.301	C	S	.	.	H	α-helix	trans	-68.2	-43.9	177.3	-77.5	174.4	0	0	0	111.3	V33 P94 D95 D96 L101 V102	V33-L98 HydrophobicContact CB-CD2 3.84Å; V33-L98 HydrophobicContact CB-CG 4.38Å; V33-L98 HydrophobicContact CG1-CD1 4.17Å; V33-L98 HydrophobicContact CG1-CD2 3.94Å; V33-L98 HydrophobicContact CG1-CG 3.91Å; P94-L98 WeakPolarHBondContact O-CB 3.29Å; P94-L98 VanDerWaalsContact O-CG 3.29Å; P94-L98 WeakPolarHBondContact O-CG 3.04Å; P94-L98 PolarHBondContact O-N 2.79Å; D95-L98 PolarHBondContact O-N 3.28Å; D96-L98 VanDerWaalsContact C-N 3.32Å; D96-L98 PolarHBondContact O-N 3.37Å; L98-L101 PolarHBondContact O-N 3.01Å; L98-V102 HydrophobicContact CD2-CG2 3.95Å; L98-V102 WeakPolarHBondContact O-CA 3.49Å; L98-V102 WeakPolarHBondContact O-CB 3.32Å; L98-V102 PolarHBondContact O-N 3.12Å
99	Y	94.1	Very high	92.5	Very high	126 Å²	126	55.7 Å²	55.7	49%	0.494	30%	0.295	S	S	.	.	I	π-helix	trans	-58.1	-52.2	178.2	-172.7	-85.7	0	0	0	110.9	D95 D96 L101 N103 E104	D95-Y99 WeakPolarHBondContact O-CB 3.2Å; D95-Y99 PolarHBondContact O-N 2.96Å; D96-Y99 PolarHBondContact O-N 3.29Å; Y99-L101 PolarHBondContact O-N 3.38Å; Y99-N103 HydrophobicContact CD2-CB 4.29Å; Y99-N103 WeakPolarHBondContact O-CB 3.32Å; Y99-N103 PolarHBondContact O-N 3Å; Y99-E104 HydrophobicContact CE1-CG 3.97Å; Y99-E104 PolarHBondContact OH-OE1 3.46Å
100	S	94	Very high	91.3	Very high	4 Å²	4	56.6 Å²	56.6	3%	0.028	31%	0.313	C	S	.	.	I	π-helix	trans	-62.9	-40.4	-177.7	-54.2	0	0	0	0	113.8	D96 T122 D124	D96-S100 PolarHBondContact O-N 2.86Å; D96-S100 PolarHBondContact O-OG 2.78Å; S100-T122 WeakPolarHBondContact O-CB 3.33Å; S100-T122 VanDerWaalsContact O-CG2 3.24Å; S100-T122 WeakPolarHBondContact O-CG2 3.41Å; S100-D124 WeakPolarHBondContact CB-OD2 3.23Å; S100-D124 PolarHBondContact OG-OD2 3.42Å
101	L	95.1	Very high	89.9	Confident	2 Å²	2	58.8 Å²	58.8	1%	0.01	33%	0.326	C	S	.	.	I	π-helix	trans	-89.7	-36.1	-174.5	-74	163.5	0	0	0	113.6	Q26 I29 Y97 L98 Y99 T122 F127 I129 V179	Q26-L101 VanDerWaalsContact CG-O 3.3Å; Q26-L101 WeakPolarHBondContact CG-O 3.18Å; Q26-L101 PolarHBondContact NE2-O 3.32Å; I29-L101 HydrophobicContact CD1-CD1 4.47Å; I29-L101 HydrophobicContact CG2-CD1 4.38Å; Y97-L101 HydrophobicContact CD1-CD1 3.8Å; Y97-L101 HydrophobicContact CD2-CD1 3.72Å; Y97-L101 HydrophobicContact CE1-CD1 3.4Å; Y97-L101 VanDerWaalsContact CE1-CD1 3.4Å; Y97-L101 HydrophobicContact CE2-CD1 3.31Å; Y97-L101 HydrophobicContact CG-CD1 3.96Å; Y97-L101 WeakPolarHBondContact O-CB 3.17Å; Y97-L101 PolarHBondContact O-N 3.16Å; L98-L101 PolarHBondContact O-N 3.01Å; Y99-L101 PolarHBondContact O-N 3.38Å; L101-T122 HydrophobicContact CD2-CG2 3.54Å; L101-T122 HydrophobicContact CG-CG2 4.05Å; L101-F127 HydrophobicContact CD2-CB 4.29Å; L101-F127 HydrophobicContact CG-CD2 4.43Å; L101-I129 HydrophobicContact CD2-CD1 3.63Å; L101-I129 HydrophobicContact CD2-CG1 3.97Å; L101-V179 HydrophobicContact CD1-CG1 4.09Å; L101-V179 HydrophobicContact CD2-CG1 4.22Å
102	V	94.1	Very high	88.1	Confident	35 Å²	35	61.7 Å²	61.7	21%	0.212	34%	0.336	C	S	.	.	I	π-helix	trans	-105.6	-40.1	-166.3	-174.8	0	0	0	0	111.9	Q26 I29 L98	Q26-V102 HydrophobicContact CB-CG1 4.33Å; Q26-V102 PolarHBondContact NE2-O 3.2Å; I29-V102 HydrophobicContact CB-CG2 4.43Å; I29-V102 HydrophobicContact CG2-CG2 4.18Å; L98-V102 HydrophobicContact CD2-CG2 3.95Å; L98-V102 WeakPolarHBondContact O-CA 3.49Å; L98-V102 WeakPolarHBondContact O-CB 3.32Å; L98-V102 PolarHBondContact O-N 3.12Å
103	N	90.4	Very high	86.3	Confident	108 Å²	108	63.1 Å²	63.1	58%	0.578	35%	0.352	S	S	*	.	I	π-helix	trans	-87.5	-21.2	-171.6	-64.2	-10.8	0	0	0	113.2	Y99	Y99-N103 HydrophobicContact CD2-CB 4.29Å; Y99-N103 WeakPolarHBondContact O-CB 3.32Å; Y99-N103 PolarHBondContact O-N 3Å
104	E	92.6	Very high	84.6	Confident	65 Å²	65	62.6 Å²	62.6	30%	0.304	37%	0.372	S	S	.	.	S	Bend	trans	-108.6	149.8	179.3	-67.9	-65.9	166	0	0	112	Q26 Y99	Q26-E104 PolarHBondContact NE2-O 3.23Å; Y99-E104 HydrophobicContact CE1-CG 3.97Å; Y99-E104 PolarHBondContact OH-OE1 3.46Å
105	P	92.8	Very high	83	Confident	84 Å²	84	63.3 Å²	63.3	55%	0.545	38%	0.379	S	S	.	.	P	Polyproline II helix	trans	-67.1	137.5	-178.1	26.7	-32.9	0	0	0	112.2	S123	P105-S123 PolarHBondContact O-OG 3.01Å
106	L	94.3	Very high	82	Confident	8 Å²	8	60.2 Å²	60.2	4%	0.042	38%	0.375	C	S	.	.	P	Polyproline II helix	trans	-76.9	126.1	174.1	-66.5	178.8	0	0	0	111.9	K22 I25 Q26 T122 I129	K22-L106 HydrophobicContact CB-CD1 4.32Å; K22-L106 HydrophobicContact CD-CB 4.13Å; K22-L106 WeakPolarHBondContact CE-O 3.44Å; K22-L106 HydrophobicContact CG-CB 4.14Å; K22-L106 HydrophobicContact CG-CD1 4.38Å; K22-L106 PolarHBondContact NZ-O 3.36Å; I25-L106 HydrophobicContact CB-CD1 4.45Å; I25-L106 HydrophobicContact CG2-CD1 4.18Å; Q26-L106 HydrophobicContact CG-CD1 3.98Å; Q26-L106 HydrophobicContact CG-CG 4.26Å; L106-T122 HydrophobicContact CD2-CG2 4.09Å; L106-I129 HydrophobicContact CD1-CD1 3.81Å; L106-I129 HydrophobicContact CD2-CD1 3.91Å
107	I	92.2	Very high	81.4	Confident	58 Å²	58	57.8 Å²	57.8	30%	0.297	36%	0.363	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-88.3	121.3	177.8	-55	174.7	0	0	0	108.7	Y120 L121	I107-Y120 CarbonylContact O-C 3.51Å; I107-Y120 VanDerWaalsContact O-CA 3.25Å; I107-Y120 WeakPolarHBondContact O-CA 3.31Å; I107-L121 HydrophobicContact CB-CB 4.42Å; I107-L121 PolarHBondContact N-O 3.16Å; I107-L121 PolarHBondContact O-N 3.01Å
108	E	90.7	Very high	81	Confident	84 Å²	84	61.1 Å²	61.1	39%	0.393	38%	0.38	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-84	127.1	176.7	-173.9	175.9	167	0	0	110.2	S18 Y120	S18-E108 PolarHBondContact OG-OE2 2.92Å; E108-Y120 HydrophobicContact CB-CD1 3.9Å; E108-Y120 HydrophobicContact CB-CE1 3.85Å; E108-Y120 HydrophobicContact CG-CD1 4.14Å; E108-Y120 HydrophobicContact CG-CE1 3.78Å
109	L	84.4	Confident	80.8	Confident	55 Å²	55	61.4 Å²	61.4	29%	0.288	38%	0.381	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-88.9	122.2	178.1	-58.4	-178.7	0	0	0	109.8	N111 F119 L121	L109-N111 PolarHBondContact O-N 2.72Å; L109-F119 HydrophobicContact CB-CB 4.07Å; L109-F119 HydrophobicContact CD1-CB 4.17Å; L109-F119 HydrophobicContact CG-CB 4.44Å; L109-F119 PolarHBondContact N-O 2.75Å; L109-L121 HydrophobicContact CD1-CB 4.3Å; L109-L121 HydrophobicContact CD2-CB 4.22Å; L109-L121 HydrophobicContact CD2-CD2 4.3Å; L109-L121 HydrophobicContact CG-CB 4.25Å
110	A	66.4	Low	80.8	Confident	95 Å²	95	55.4 Å²	55.4	79%	0.785	36%	0.357	S	S	*	.			trans	-76.1	56.6	175.6	0	0	0	0	0	111.7
111	N	59.9	Low	80.7	Confident	73 Å²	73	55.4 Å²	55.4	39%	0.39	36%	0.357	S	S	.	.			trans	-126.9	86.1	174.9	-77.1	-36.7	0	0	0	108.7	L109 G113 K212	L109-N111 PolarHBondContact O-N 2.72Å; N111-G113 PolarHBondContact O-N 3.15Å; N111-K212 PolarHBondContact OD1-NZ 3.19Å
112	P	51.9	Low	80.7	Confident	109 Å²	109	55.3 Å²	55.3	71%	0.708	36%	0.356	S	S	*	.			trans	-66.9	94.8	162.2	29.5	-29.2	0	0	0	105.5
113	G	54.5	Low	80.6	Confident	32 Å²	32	55.5 Å²	55.5	33%	0.33	36%	0.359	S	S	.	.			trans	-52.3	168.2	161.8	0	0	0	0	0	109.4	N111 S115 G116	N111-G113 PolarHBondContact O-N 3.15Å; G113-S115 PolarHBondContact O-N 2.95Å; G113-G116 PolarHBondContact O-N 3.32Å
114	A	56.9	Low	80.5	Confident	125 Å²	125	51.9 Å²	51.9	100%	1.033	34%	0.339	S	S	*	.	T	Hydrogen-bonded Turn	trans	-55.6	-20.5	-179.9	0	0	0	0	0	113.6
115	S	60.3	Low	80.3	Confident	56 Å²	56	49.3 Å²	49.3	39%	0.392	33%	0.328	S	S	.	.	T	Hydrogen-bonded Turn	trans	-79.3	-13	177	55.3	0	0	0	0	115.3	G113 S117	G113-S115 PolarHBondContact O-N 2.95Å; S115-S117 PolarHBondContact O-N 3.14Å; S115-S117 PolarHBondContact OG-N 3.09Å; S115-S117 PolarHBondContact OG-OG 3.41Å
116	G	72.3	Confident	80.1	Confident	55 Å²	55	46.1 Å²	46.1	57%	0.567	31%	0.306	S	S	*	.			trans	67.3	16.3	-172	0	0	0	0	0	114.4	G113	G113-G116 PolarHBondContact O-N 3.32Å
117	S	81.7	Confident	80.1	Confident	11 Å²	11	45.8 Å²	45.8	8%	0.077	30%	0.304	C	S	.	.			trans	-69.5	138.9	176.4	53.3	0	0	0	0	111.6	S115 F119 T131	S115-S117 PolarHBondContact O-N 3.14Å; S115-S117 PolarHBondContact OG-N 3.09Å; S115-S117 PolarHBondContact OG-OG 3.41Å; S117-F119 WeakPolarHBondContact O-CD2 3.3Å; S117-F119 WeakPolarHBondContact OG-CE2 3.48Å; S117-T131 WeakPolarHBondContact CA-OG1 3.37Å; S117-T131 VanDerWaalsContact CB-O 3.26Å; S117-T131 WeakPolarHBondContact CB-O 3.5Å
118	L	87.6	Confident	80.2	Confident	69 Å²	69	44 Å²	44	36%	0.361	30%	0.295	S	S	.	.			trans	-78.6	143.8	168.4	-58.9	172.3	0	0	0	109.9	L21 T131	L21-L118 HydrophobicContact CD2-CD1 4.3Å; L118-T131 HydrophobicContact CB-CG2 3.79Å; L118-T131 HydrophobicContact CD1-CG2 4.36Å; L118-T131 HydrophobicContact CG-CG2 4.42Å; L118-T131 PolarHBondContact N-OG1 3.34Å; L118-T131 PolarHBondContact O-N 3.42Å; L118-T131 PolarHBondContact O-OG1 2.91Å
119	F	90.6	Very high	80.4	Confident	36 Å²	36	40 Å²	40	16%	0.158	28%	0.276	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-126.8	130.6	175.6	-69.9	-96.6	0	0	0	109.3	L109 S117 I128 I129 K130	L109-F119 HydrophobicContact CB-CB 4.07Å; L109-F119 HydrophobicContact CD1-CB 4.17Å; L109-F119 HydrophobicContact CG-CB 4.44Å; L109-F119 PolarHBondContact N-O 2.75Å; S117-F119 WeakPolarHBondContact O-CD2 3.3Å; S117-F119 WeakPolarHBondContact OG-CE2 3.48Å; F119-I128 HydrophobicContact CD1-CG2 3.82Å; F119-I129 CarbonylContact C-O 3.58Å; F119-I129 WeakPolarHBondContact CA-O 2.93Å; F119-K130 HydrophobicContact CD1-CB 4.02Å; F119-K130 HydrophobicContact CD1-CD 4.4Å; F119-K130 HydrophobicContact CD1-CG 3.96Å; F119-K130 HydrophobicContact CE1-CB 3.95Å; F119-K130 HydrophobicContact CE1-CD 3.51Å; F119-K130 HydrophobicContact CE1-CG 3.53Å; F119-K130 HydrophobicContact CZ-CD 3.72Å; F119-K130 HydrophobicContact CZ-CG 3.85Å
120	Y	93.2	Very high	80.8	Confident	0 Å²	0	38.3 Å²	38.3	0%	0	27%	0.267	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-113.5	150.5	167	-53.2	-74.6	0	0	0	109.7	L21 K22 I25 I107 E108 I128 I129	L21-Y120 HydrophobicContact CD2-CE2 4.43Å; K22-Y120 HydrophobicContact CD-CD1 4.39Å; K22-Y120 HydrophobicContact CD-CE1 4.16Å; K22-Y120 HydrophobicContact CG-CD1 4.08Å; K22-Y120 HydrophobicContact CG-CE1 3.73Å; I25-Y120 HydrophobicContact CD1-CD2 4.11Å; I25-Y120 HydrophobicContact CD1-CE2 3.95Å; I107-Y120 CarbonylContact O-C 3.51Å; I107-Y120 VanDerWaalsContact O-CA 3.25Å; I107-Y120 WeakPolarHBondContact O-CA 3.31Å; E108-Y120 HydrophobicContact CB-CD1 3.9Å; E108-Y120 HydrophobicContact CB-CE1 3.85Å; E108-Y120 HydrophobicContact CG-CD1 4.14Å; E108-Y120 HydrophobicContact CG-CE1 3.78Å; Y120-I128 CarbonylContact O-C 3.6Å; Y120-I128 WeakPolarHBondContact O-CA 3.46Å; Y120-I129 HydrophobicContact CD2-CB 4.34Å; Y120-I129 PolarHBondContact N-O 3.49Å; Y120-I129 PolarHBondContact O-N 2.73Å
121	L	92.8	Very high	82.1	Confident	4 Å²	4	35 Å²	35	2%	0.021	24%	0.236	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-125.5	139	177	-179.1	74.2	0	0	0	107.8	I107 L109 D125 F127 I128 N182 R186	I107-L121 HydrophobicContact CB-CB 4.42Å; I107-L121 PolarHBondContact N-O 3.16Å; I107-L121 PolarHBondContact O-N 3.01Å; L109-L121 HydrophobicContact CD1-CB 4.3Å; L109-L121 HydrophobicContact CD2-CB 4.22Å; L109-L121 HydrophobicContact CD2-CD2 4.3Å; L109-L121 HydrophobicContact CG-CB 4.25Å; L121-D125 WeakPolarHBondContact CD2-OD1 3.26Å; L121-F127 WeakPolarHBondContact CA-O 3.45Å; L121-I128 HydrophobicContact CD1-CG1 3.95Å; L121-N182 HydrophobicContact CD1-CB 4.43Å; L121-R186 VanDerWaalsContact CD2-CD 3.48Å; L121-R186 HydrophobicContact CD2-CG 4.39Å
122	T	94.6	Very high	83.7	Confident	0 Å²	0	32 Å²	32	0%	0	22%	0.221	C	C	.	.			trans	-70.7	157	172.8	52.6	0	0	0	0	111.2	S100 L101 L106 D124 D125 E126 F127	S100-T122 WeakPolarHBondContact O-CB 3.33Å; S100-T122 VanDerWaalsContact O-CG2 3.24Å; S100-T122 WeakPolarHBondContact O-CG2 3.41Å; L101-T122 HydrophobicContact CD2-CG2 3.54Å; L101-T122 HydrophobicContact CG-CG2 4.05Å; L106-T122 HydrophobicContact CD2-CG2 4.09Å; T122-D124 VanDerWaalsContact C-N 3.25Å; T122-D124 WeakPolarHBondContact CB-OD1 3.37Å; T122-D124 PolarHBondContact O-N 2.93Å; T122-D124 PolarHBondContact OG1-OD1 3.25Å; T122-D125 PolarHBondContact O-N 3.05Å; T122-E126 PolarHBondContact OG1-N 3.27Å; T122-F127 HydrophobicContact CG2-CB 3.76Å; T122-F127 HydrophobicContact CG2-CD2 4.09Å; T122-F127 HydrophobicContact CG2-CG 4.43Å; T122-F127 PolarHBondContact N-O 3.31Å; T122-F127 PolarHBondContact OG1-N 3Å; T122-F127 PolarHBondContact OG1-O 3.4Å
123	S	92.4	Very high	85.5	Confident	39 Å²	39	31.2 Å²	31.2	27%	0.273	21%	0.208	S	C	.	.	T	Hydrogen-bonded Turn	trans	-67.6	-28.2	-175.2	-74.5	0	0	0	0	113.2	P105	P105-S123 PolarHBondContact O-OG 3.01Å
124	D	89.3	Confident	87.3	Confident	31 Å²	31	34.7 Å²	34.7	17%	0.166	22%	0.215	C	C	.	.	T	Hydrogen-bonded Turn	trans	-81.7	0.7	171.5	63.8	-6	0	0	0	114	S100 T122 E126	S100-D124 WeakPolarHBondContact CB-OD2 3.23Å; S100-D124 PolarHBondContact OG-OD2 3.42Å; T122-D124 VanDerWaalsContact C-N 3.25Å; T122-D124 WeakPolarHBondContact CB-OD1 3.37Å; T122-D124 PolarHBondContact O-N 2.93Å; T122-D124 PolarHBondContact OG1-OD1 3.25Å; D124-E126 HydrophobicContact CB-CG 4.32Å; D124-E126 PolarHBondContact O-N 3.42Å; D124-E126 VanDerWaalsContact O-N 3.16Å; D124-E126 PolarHBondContact OD1-N 2.95Å
125	D	88.7	Confident	88.8	Confident	12 Å²	12	33 Å²	33	6%	0.064	19%	0.185	C	C	.	.	S	Bend	trans	65.8	14.3	171.8	-176.7	65.9	0	0	0	115.1	L121 T122 N182 P185 R186	L121-D125 WeakPolarHBondContact CD2-OD1 3.26Å; T122-D125 PolarHBondContact O-N 3.05Å; D125-N182 VanDerWaalsContact O-CB 3.29Å; D125-N182 WeakPolarHBondContact O-CB 3.41Å; D125-N182 PolarHBondContact O-ND2 3.11Å; D125-N182 PolarHBondContact OD1-ND2 3.48Å; D125-P185 VanDerWaalsContact OD2-C 3.22Å; D125-P185 WeakPolarHBondContact OD2-CA 3.43Å; D125-P185 VanDerWaalsContact OD2-CB 3.32Å; D125-P185 WeakPolarHBondContact OD2-CB 3.21Å; D125-R186 WeakPolarHBondContact OD1-CD 3.4Å; D125-R186 WeakPolarHBondContact OD1-CG 3.33Å; D125-R186 PolarHBondContact OD1-N 3.34Å; D125-R186 PolarHBondContact OD2-N 3.25Å
126	E	87.3	Confident	90.4	Very high	17 Å²	17	31 Å²	31	8%	0.079	17%	0.169	C	C	.	.			trans	-84.2	-37	-178.7	-60.5	-158	138.5	0	0	113.7	T122 D124 N182 L292 Y293	T122-E126 PolarHBondContact OG1-N 3.27Å; D124-E126 HydrophobicContact CB-CG 4.32Å; D124-E126 PolarHBondContact O-N 3.42Å; D124-E126 VanDerWaalsContact O-N 3.16Å; D124-E126 PolarHBondContact OD1-N 2.95Å; E126-N182 PolarHBondContact O-N 3.31Å; E126-L292 PolarHBondContact OE1-N 3.04Å; E126-Y293 VanDerWaalsContact OE2-CD2 3.29Å; E126-Y293 WeakPolarHBondContact OE2-CD2 3.21Å; E126-Y293 VanDerWaalsContact OE2-CE2 3.23Å; E126-Y293 WeakPolarHBondContact OE2-CE2 3.41Å
127	F	94.1	Very high	91.5	Very high	0 Å²	0	28.5 Å²	28.5	0%	0	14%	0.143	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-118.3	137.1	-171.8	-54	-69.5	0	0	0	112.7	I92 Y97 L101 L121 T122 Y163 V179	I92-F127 HydrophobicContact CD1-CE1 3.88Å; I92-F127 HydrophobicContact CD1-CZ 4.35Å; I92-F127 HydrophobicContact CG2-CZ 4.13Å; Y97-F127 HydrophobicContact CD2-CE1 4.05Å; Y97-F127 HydrophobicContact CD2-CE2 4.32Å; Y97-F127 AromaticContact CD2-CZ 3.91Å; Y97-F127 HydrophobicContact CD2-CZ 3.91Å; Y97-F127 HydrophobicContact CE2-CD1 4.44Å; Y97-F127 HydrophobicContact CE2-CE1 4.29Å; L101-F127 HydrophobicContact CD2-CB 4.29Å; L101-F127 HydrophobicContact CG-CD2 4.43Å; L121-F127 WeakPolarHBondContact CA-O 3.45Å; T122-F127 HydrophobicContact CG2-CB 3.76Å; T122-F127 HydrophobicContact CG2-CD2 4.09Å; T122-F127 HydrophobicContact CG2-CG 4.43Å; T122-F127 PolarHBondContact N-O 3.31Å; T122-F127 PolarHBondContact OG1-N 3Å; T122-F127 PolarHBondContact OG1-O 3.4Å; F127-Y163 AromaticContact CD1-CD2 3.42Å; F127-Y163 HydrophobicContact CD1-CD2 3.42Å; F127-Y163 VanDerWaalsContact CD1-CD2 3.42Å; F127-Y163 AromaticContact CD1-CE2 3.47Å; F127-Y163 HydrophobicContact CD1-CE2 3.47Å; F127-Y163 VanDerWaalsContact CD1-CE2 3.47Å; F127-Y163 AromaticContact CE1-CD2 3.54Å; F127-Y163 HydrophobicContact CE1-CD2 3.54Å; F127-Y163 AromaticContact CE1-CE2 3.46Å; F127-Y163 HydrophobicContact CE1-CE2 3.46Å; F127-Y163 VanDerWaalsContact CE1-CE2 3.46Å; F127-Y163 HydrophobicContact CE1-CG 4.44Å; F127-V179 HydrophobicContact CB-CG1 4.22Å; F127-V179 HydrophobicContact CD1-CG1 4.49Å
128	I	93.9	Very high	92.1	Very high	21 Å²	21	32.6 Å²	32.6	11%	0.108	16%	0.16	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-105.5	132.1	168.1	-66	178.2	0	0	0	108.9	F119 Y120 L121 V179 M180 N182	F119-I128 HydrophobicContact CD1-CG2 3.82Å; Y120-I128 CarbonylContact O-C 3.6Å; Y120-I128 WeakPolarHBondContact O-CA 3.46Å; L121-I128 HydrophobicContact CD1-CG1 3.95Å; I128-V179 WeakPolarHBondContact O-CA 3.46Å; I128-M180 HydrophobicContact CB-CG 4.33Å; I128-M180 PolarHBondContact N-O 3.1Å; I128-M180 PolarHBondContact O-N 3.4Å; I128-N182 HydrophobicContact CD1-CB 4.08Å; I128-N182 HydrophobicContact CG1-CB 3.97Å
129	I	95.9	Very high	92.4	Very high	0 Å²	0	29.9 Å²	29.9	0%	0	15%	0.145	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-105.1	119.9	167.2	-42.2	-175.2	0	0	0	108.2	I25 L101 L106 F119 Y120 L177 V178 V179	I25-I129 HydrophobicContact CG2-CD1 3.83Å; L101-I129 HydrophobicContact CD2-CD1 3.63Å; L101-I129 HydrophobicContact CD2-CG1 3.97Å; L106-I129 HydrophobicContact CD1-CD1 3.81Å; L106-I129 HydrophobicContact CD2-CD1 3.91Å; F119-I129 CarbonylContact C-O 3.58Å; F119-I129 WeakPolarHBondContact CA-O 2.93Å; Y120-I129 HydrophobicContact CD2-CB 4.34Å; Y120-I129 PolarHBondContact N-O 3.49Å; Y120-I129 PolarHBondContact O-N 2.73Å; I129-L177 HydrophobicContact CG2-CB 4.12Å; I129-L177 HydrophobicContact CG2-CD2 4.06Å; I129-V178 WeakPolarHBondContact CA-O 3.35Å; I129-V179 HydrophobicContact CG1-CG2 4.16Å; I129-V179 HydrophobicContact CG2-CG2 4.27Å
130	K	93.5	Very high	92.7	Very high	20 Å²	20	28.1 Å²	28.1	9%	0.087	14%	0.137	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-114.6	131.9	179.5	-177	-177.7	-177.1	-179.9	0	110.5	F119 V132 L177 V178 D337	F119-K130 HydrophobicContact CD1-CB 4.02Å; F119-K130 HydrophobicContact CD1-CD 4.4Å; F119-K130 HydrophobicContact CD1-CG 3.96Å; F119-K130 HydrophobicContact CE1-CB 3.95Å; F119-K130 HydrophobicContact CE1-CD 3.51Å; F119-K130 HydrophobicContact CE1-CG 3.53Å; F119-K130 HydrophobicContact CZ-CD 3.72Å; F119-K130 HydrophobicContact CZ-CG 3.85Å; K130-V132 HydrophobicContact CG-CG1 4.45Å; K130-L177 WeakPolarHBondContact O-CA 3.49Å; K130-V178 PolarHBondContact N-O 3.32Å; K130-V178 PolarHBondContact O-N 3.09Å; K130-D337 IonicContact NZ-OD1 3.8Å; K130-D337 PolarHBondContact NZ-OD1 2.9Å
131	T	93	Very high	92.8	Very high	24 Å²	24	29.6 Å²	29.6	15%	0.147	14%	0.144	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-73.1	133.1	166.9	61	0	0	0	0	110.5	S117 L118 I175 R176 L177	S117-T131 WeakPolarHBondContact CA-OG1 3.37Å; S117-T131 VanDerWaalsContact CB-O 3.26Å; S117-T131 WeakPolarHBondContact CB-O 3.5Å; L118-T131 HydrophobicContact CB-CG2 3.79Å; L118-T131 HydrophobicContact CD1-CG2 4.36Å; L118-T131 HydrophobicContact CG-CG2 4.42Å; L118-T131 PolarHBondContact N-OG1 3.34Å; L118-T131 PolarHBondContact O-N 3.42Å; L118-T131 PolarHBondContact O-OG1 2.91Å; T131-I175 HydrophobicContact CG2-CG2 4.12Å; T131-R176 CarbonylContact C-O 3.49Å; T131-R176 VanDerWaalsContact CA-O 3.26Å; T131-R176 WeakPolarHBondContact CA-O 3.49Å; T131-L177 HydrophobicContact CG2-CD2 3.66Å
132	V	92.5	Very high	92.8	Very high	12 Å²	12	35.4 Å²	35.4	7%	0.073	17%	0.166	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-122.9	152.2	179.7	-62.8	0	0	0	0	111.3	K130 E136 A137 R176 V178 L339	K130-V132 HydrophobicContact CG-CG1 4.45Å; V132-E136 HydrophobicContact CB-CB 4.02Å; V132-A137 HydrophobicContact CG2-CB 3.99Å; V132-R176 HydrophobicContact CG2-CB 3.83Å; V132-R176 PolarHBondContact N-O 3.4Å; V132-V178 HydrophobicContact CG1-CB 4.35Å; V132-V178 HydrophobicContact CG1-CG2 3.83Å; V132-V178 HydrophobicContact CG2-CG2 3.9Å; V132-L339 HydrophobicContact CG1-CD1 4.02Å
133	Q	91.4	Very high	92.9	Very high	91 Å²	91	35.7 Å²	35.7	43%	0.425	17%	0.167	S	C	.	.			trans	-71.4	160.8	176.1	-60.9	-177.9	2.5	0	0	111	K135 E136 A137	Q133-K135 VanDerWaalsContact C-N 3.26Å; Q133-K135 HydrophobicContact CB-CG 4.24Å; Q133-K135 PolarHBondContact O-N 2.74Å; Q133-E136 HydrophobicContact CB-CG 4.31Å; Q133-E136 PolarHBondContact N-OE2 3.24Å; Q133-E136 PolarHBondContact O-N 2.91Å; Q133-A137 PolarHBondContact O-N 2.89Å
134	H	90.8	Very high	93.1	Very high	105 Å²	105	33.8 Å²	33.8	49%	0.486	15%	0.154	S	C	.	.	H	α-helix	trans	-53.2	-43.9	177.9	-179.6	42.7	0	0	0	113	E136 K138 R176	H134-E136 VanDerWaalsContact C-N 3.33Å; H134-E136 PolarHBondContact O-N 3.47Å; H134-K138 WeakPolarHBondContact O-CB 3.43Å; H134-K138 PolarHBondContact O-N 3.42Å; H134-R176 PolarHBondContact ND1-NE 3.15Å; H134-R176 PolarHBondContact ND1-NH2 2.65Å
135	K	90.2	Very high	93.4	Very high	90 Å²	90	33.2 Å²	33.2	39%	0.391	15%	0.152	S	C	.	.	H	α-helix	trans	-64.1	-36.7	179.2	62.5	175.2	176.2	177.8	0	112.8	Q133 F139	Q133-K135 VanDerWaalsContact C-N 3.26Å; Q133-K135 HydrophobicContact CB-CG 4.24Å; Q133-K135 PolarHBondContact O-N 2.74Å; K135-F139 VanDerWaalsContact O-CB 3.28Å; K135-F139 WeakPolarHBondContact O-CB 3.5Å; K135-F139 PolarHBondContact O-N 3.34Å
136	E	92.8	Very high	93.7	Very high	14 Å²	14	33.4 Å²	33.4	7%	0.065	16%	0.156	C	C	.	.	H	α-helix	trans	-71.1	-45	-179.8	-68.4	175	142.4	0	0	110.5	V132 Q133 H134 K138 F139 L140 L339	V132-E136 HydrophobicContact CB-CB 4.02Å; Q133-E136 HydrophobicContact CB-CG 4.31Å; Q133-E136 PolarHBondContact N-OE2 3.24Å; Q133-E136 PolarHBondContact O-N 2.91Å; H134-E136 VanDerWaalsContact C-N 3.33Å; H134-E136 PolarHBondContact O-N 3.47Å; E136-K138 PolarHBondContact O-N 3.34Å; E136-F139 PolarHBondContact O-N 2.93Å; E136-L140 PolarHBondContact O-N 3.43Å; E136-L339 HydrophobicContact CB-CB 3.99Å; E136-L339 HydrophobicContact CB-CD1 4.34Å; E136-L339 HydrophobicContact CG-CB 4.16Å
137	A	94.7	Very high	94.2	Very high	3 Å²	3	32.7 Å²	32.7	3%	0.025	15%	0.153	C	C	.	.	H	α-helix	trans	-61	-44.4	174.3	0	0	0	0	0	112.4	V132 Q133 F139 L140 Q141 L165 R176	V132-A137 HydrophobicContact CG2-CB 3.99Å; Q133-A137 PolarHBondContact O-N 2.89Å; A137-F139 VanDerWaalsContact C-N 3.27Å; A137-F139 PolarHBondContact O-N 3.45Å; A137-L140 PolarHBondContact O-N 2.96Å; A137-Q141 PolarHBondContact O-N 3.22Å; A137-Q141 VanDerWaalsContact O-N 3.07Å; A137-L165 HydrophobicContact CB-CD1 3.96Å; A137-R176 HydrophobicContact CB-CB 4.23Å; A137-R176 VanDerWaalsContact CB-CD 3.42Å; A137-R176 HydrophobicContact CB-CG 4.37Å
138	K	94.3	Very high	94.2	Very high	97 Å²	97	36 Å²	36	42%	0.422	17%	0.166	S	C	.	.	H	α-helix	trans	-64.1	-34.4	176.1	-174.5	172.4	-175.8	169.3	0	111.9	H134 E136 R142	H134-K138 WeakPolarHBondContact O-CB 3.43Å; H134-K138 PolarHBondContact O-N 3.42Å; E136-K138 PolarHBondContact O-N 3.34Å; K138-R142 WeakPolarHBondContact O-CG 3.4Å; K138-R142 PolarHBondContact O-N 3.2Å
139	F	94.4	Very high	94.3	Very high	11 Å²	11	40.2 Å²	40.2	5%	0.048	19%	0.187	C	C	.	.	H	α-helix	trans	-70.1	-45.2	174.8	177.5	-114.1	0	0	0	111.8	K135 E136 A137 Q141 R142 L143 F254 I256 L339 S341 F344	K135-F139 VanDerWaalsContact O-CB 3.28Å; K135-F139 WeakPolarHBondContact O-CB 3.5Å; K135-F139 PolarHBondContact O-N 3.34Å; E136-F139 PolarHBondContact O-N 2.93Å; A137-F139 VanDerWaalsContact C-N 3.27Å; A137-F139 PolarHBondContact O-N 3.45Å; F139-Q141 VanDerWaalsContact C-N 3.3Å; F139-Q141 PolarHBondContact O-N 2.97Å; F139-R142 CarbonylContact O-C 3.54Å; F139-R142 WeakPolarHBondContact O-CA 3.45Å; F139-R142 WeakPolarHBondContact O-CB 3.46Å; F139-R142 PolarHBondContact O-N 3.13Å; F139-L143 PolarHBondContact O-N 2.83Å; F139-F254 HydrophobicContact CZ-CB 4.35Å; F139-I256 HydrophobicContact CE1-CD1 3.81Å; F139-I256 HydrophobicContact CE1-CG1 3.78Å; F139-I256 HydrophobicContact CZ-CD1 3.71Å; F139-I256 HydrophobicContact CZ-CG1 3.52Å; F139-L339 HydrophobicContact CD1-CD2 4.43Å; F139-L339 WeakPolarHBondContact CD1-O 3.49Å; F139-S341 VanDerWaalsContact CE2-CB 3.44Å; F139-F344 HydrophobicContact CB-CE2 4Å; F139-F344 AromaticContact CD2-CE2 3.68Å; F139-F344 HydrophobicContact CD2-CE2 3.68Å; F139-F344 HydrophobicContact CD2-CZ 4.49Å; F139-F344 HydrophobicContact CG-CE2 4.09Å
140	L	96.6	Very high	94.2	Very high	0 Å²	0	40.7 Å²	40.7	0%	0	19%	0.189	C	C	.	.	H	α-helix	trans	-55.3	-45.2	175.7	178.2	53.7	0	0	0	111.3	E136 A137 R142 L143 L144 F162 L165 V178 L339	E136-L140 PolarHBondContact O-N 3.43Å; A137-L140 PolarHBondContact O-N 2.96Å; L140-R142 PolarHBondContact O-N 2.79Å; L140-L143 HydrophobicContact CD1-CD2 4.33Å; L140-L143 WeakPolarHBondContact O-CA 3.34Å; L140-L143 WeakPolarHBondContact O-CB 3.3Å; L140-L143 PolarHBondContact O-N 3.06Å; L140-L144 HydrophobicContact CD1-CD2 3.93Å; L140-L144 HydrophobicContact CG-CD2 4.23Å; L140-L144 WeakPolarHBondContact O-CD2 3.4Å; L140-L144 WeakPolarHBondContact O-CG 3.3Å; L140-L144 PolarHBondContact O-N 3.01Å; L140-L144 VanDerWaalsContact O-N 3.16Å; L140-F162 HydrophobicContact CD1-CD2 3.77Å; L140-F162 HydrophobicContact CD1-CE2 3.69Å; L140-F162 HydrophobicContact CD1-CG 4.24Å; L140-F162 HydrophobicContact CD1-CZ 4.1Å; L140-F162 HydrophobicContact CD2-CD1 4.42Å; L140-L165 HydrophobicContact CB-CD2 4.44Å; L140-L165 HydrophobicContact CD2-CB 4.35Å; L140-L165 HydrophobicContact CD2-CD1 4.34Å; L140-L165 HydrophobicContact CD2-CD2 4.2Å; L140-L165 HydrophobicContact CG-CD2 4.34Å; L140-V178 HydrophobicContact CD2-CG1 4.19Å; L140-V178 HydrophobicContact CD2-CG2 3.65Å; L140-L339 HydrophobicContact CB-CD2 3.88Å; L140-L339 HydrophobicContact CD1-CD2 4.03Å; L140-L339 HydrophobicContact CD2-CD1 4.48Å; L140-L339 HydrophobicContact CG-CD2 4.36Å
141	Q	95.2	Very high	94.1	Very high	30 Å²	30	40.2 Å²	40.2	14%	0.14	19%	0.187	C	C	.	.	H	α-helix	trans	-58.9	-36.4	177	-165.2	174.4	32.2	0	0	112.8	F49 Y50 A137 F139 L143	F49-Q141 VanDerWaalsContact O-CG 3.25Å; F49-Q141 WeakPolarHBondContact O-CG 3.31Å; F49-Q141 PolarHBondContact O-NE2 2.94Å; Y50-Q141 PolarHBondContact O-NE2 2.82Å; A137-Q141 PolarHBondContact O-N 3.22Å; A137-Q141 VanDerWaalsContact O-N 3.07Å; F139-Q141 VanDerWaalsContact C-N 3.3Å; F139-Q141 PolarHBondContact O-N 2.97Å; Q141-L143 VanDerWaalsContact C-N 3.34Å
142	R	93.4	Very high	93.9	Very high	127 Å²	127	42.6 Å²	42.6	48%	0.479	20%	0.199	S	C	.	.	H	α-helix	trans	-74.9	-23.7	175.5	-67.8	172.2	176.4	-173	-6.2	113.3	K138 F139 L140	K138-R142 WeakPolarHBondContact O-CG 3.4Å; K138-R142 PolarHBondContact O-N 3.2Å; F139-R142 CarbonylContact O-C 3.54Å; F139-R142 WeakPolarHBondContact O-CA 3.45Å; F139-R142 WeakPolarHBondContact O-CB 3.46Å; F139-R142 PolarHBondContact O-N 3.13Å; L140-R142 PolarHBondContact O-N 2.79Å
143	L	95.7	Very high	93.7	Very high	5 Å²	5	47.9 Å²	47.9	3%	0.026	22%	0.223	C	C	.	.	H	α-helix	trans	-76.5	-27.6	177.8	-178.9	65	0	0	0	111.7	F139 L140 Q141 G146 Y147 F254 I256 I338	F139-L143 PolarHBondContact O-N 2.83Å; L140-L143 HydrophobicContact CD1-CD2 4.33Å; L140-L143 WeakPolarHBondContact O-CA 3.34Å; L140-L143 WeakPolarHBondContact O-CB 3.3Å; L140-L143 PolarHBondContact O-N 3.06Å; Q141-L143 VanDerWaalsContact C-N 3.34Å; L143-G146 PolarHBondContact O-N 3.24Å; L143-Y147 PolarHBondContact O-N 3.18Å; L143-F254 HydrophobicContact CD1-CB 4.14Å; L143-F254 HydrophobicContact CD1-CD1 3.67Å; L143-F254 HydrophobicContact CD1-CD2 3.39Å; L143-F254 HydrophobicContact CD1-CE1 3.98Å; L143-F254 HydrophobicContact CD1-CE2 3.74Å; L143-F254 HydrophobicContact CD1-CG 3.41Å; L143-F254 VanDerWaalsContact CD1-CG 3.41Å; L143-F254 HydrophobicContact CD1-CZ 4.05Å; L143-I256 HydrophobicContact CD1-CD1 4.4Å; L143-I338 HydrophobicContact CD2-CD1 4.18Å
144	L	97.2	Very high	93.5	Very high	0 Å²	0	43.8 Å²	43.8	0%	0	20%	0.204	C	C	.	.	H	α-helix	trans	-51.8	-43.8	-170	-56.4	-177.9	0	0	0	115.3	F49 A79 F83 F86 L140 G146 Y147 Y148	F49-L144 HydrophobicContact CB-CB 4.28Å; F49-L144 HydrophobicContact CD1-CB 3.47Å; F49-L144 VanDerWaalsContact CD1-CB 3.47Å; F49-L144 HydrophobicContact CD1-CD1 4.21Å; F49-L144 HydrophobicContact CD1-CG 4.48Å; F49-L144 HydrophobicContact CE1-CB 4.08Å; F49-L144 HydrophobicContact CG-CB 4.1Å; A79-L144 HydrophobicContact CB-CD1 3.52Å; F83-L144 HydrophobicContact CE1-CD2 4.45Å; F83-L144 HydrophobicContact CE2-CD1 4.16Å; F83-L144 HydrophobicContact CE2-CD2 4.49Å; F83-L144 HydrophobicContact CZ-CD1 4.38Å; F83-L144 HydrophobicContact CZ-CD2 3.9Å; F86-L144 HydrophobicContact CE2-CD2 4.16Å; L140-L144 HydrophobicContact CD1-CD2 3.93Å; L140-L144 HydrophobicContact CG-CD2 4.23Å; L140-L144 WeakPolarHBondContact O-CD2 3.4Å; L140-L144 WeakPolarHBondContact O-CG 3.3Å; L140-L144 PolarHBondContact O-N 3.01Å; L140-L144 VanDerWaalsContact O-N 3.16Å; L144-G146 PolarHBondContact O-N 2.98Å; L144-Y147 PolarHBondContact O-N 3.2Å; L144-Y148 WeakPolarHBondContact O-CB 3.49Å; L144-Y148 PolarHBondContact O-N 2.84Å
145	P	96.5	Very high	92.9	Very high	19 Å²	19	43.4 Å²	43.4	12%	0.123	21%	0.211	C	C	.	.	H	α-helix	trans	-62.3	-41.7	178.6	-22.7	33.6	0	0	0	112.8	M46 F49 Y148 M149	M46-P145 HydrophobicContact CE-CB 4.03Å; M46-P145 HydrophobicContact CE-CG 4.32Å; M46-P145 HydrophobicContact SD-CB 3.88Å; M46-P145 HydrophobicContact SD-CG 3.87Å; F49-P145 HydrophobicContact CB-CG 4.2Å; F49-P145 HydrophobicContact CD2-CB 4.12Å; F49-P145 HydrophobicContact CD2-CG 3.74Å; F49-P145 HydrophobicContact CE2-CB 4.19Å; F49-P145 HydrophobicContact CE2-CG 4.3Å; F49-P145 HydrophobicContact CG-CG 4Å; P145-Y148 WeakPolarHBondContact O-CB 3.3Å; P145-Y148 PolarHBondContact O-N 3.49Å; P145-M149 WeakPolarHBondContact O-CG 3.43Å; P145-M149 PolarHBondContact O-N 3.05Å; P145-M149 VanDerWaalsContact O-N 3.15Å
146	G	95.2	Very high	92.5	Very high	15 Å²	15	41.2 Å²	41.2	16%	0.155	20%	0.2	C	C	.	.	H	α-helix	trans	-72.8	-33.6	176.6	0	0	0	0	0	113.4	L143 L144 M149 N150	L143-G146 PolarHBondContact O-N 3.24Å; L144-G146 PolarHBondContact O-N 2.98Å; G146-M149 PolarHBondContact O-N 3.01Å; G146-N150 PolarHBondContact O-N 2.87Å
147	Y	96	Very high	92.5	Very high	2 Å²	2	40.7 Å²	40.7	1%	0.008	20%	0.198	C	C	.	.	H	α-helix	trans	-62.8	-44.9	172.7	-175.1	-110.9	0	0	0	110.9	F86 L143 L144 M149 N150 L151 L159 P160 K161 F162	F86-Y147 HydrophobicContact CD2-CD1 4.36Å; F86-Y147 HydrophobicContact CD2-CE1 4.27Å; F86-Y147 HydrophobicContact CE1-CD1 4.18Å; F86-Y147 AromaticContact CE2-CD1 3.98Å; F86-Y147 HydrophobicContact CE2-CD1 3.98Å; F86-Y147 HydrophobicContact CE2-CE1 4.35Å; F86-Y147 HydrophobicContact CG-CE1 4.38Å; F86-Y147 AromaticContact CZ-CD1 3.87Å; F86-Y147 HydrophobicContact CZ-CD1 3.87Å; F86-Y147 HydrophobicContact CZ-CE1 4.49Å; L143-Y147 PolarHBondContact O-N 3.18Å; L144-Y147 PolarHBondContact O-N 3.2Å; Y147-M149 VanDerWaalsContact C-N 3.33Å; Y147-M149 PolarHBondContact O-N 3.19Å; Y147-N150 PolarHBondContact O-N 2.93Å; Y147-N150 VanDerWaalsContact O-N 3.12Å; Y147-L151 HydrophobicContact CD1-CD1 4.01Å; Y147-L151 HydrophobicContact CD1-CG 4.28Å; Y147-L151 HydrophobicContact CE1-CD1 3.51Å; Y147-L151 HydrophobicContact CE1-CD2 4.3Å; Y147-L151 HydrophobicContact CE1-CG 3.99Å; Y147-L151 HydrophobicContact CE2-CD2 4.12Å; Y147-L151 HydrophobicContact CE2-CG 4.43Å; Y147-L151 WeakPolarHBondContact O-CG 3.27Å; Y147-L151 PolarHBondContact O-N 2.85Å; Y147-L159 HydrophobicContact CE2-CB 4.46Å; Y147-P160 PolarHBondContact OH-O 3.42Å; Y147-K161 WeakPolarHBondContact OH-CA 3.44Å; Y147-F162 HydrophobicContact CE1-CD2 4.13Å; Y147-F162 HydrophobicContact CE2-CD2 4.13Å; Y147-F162 HydrophobicContact CE2-CE2 4.44Å; Y147-F162 AromaticContact CZ-CD2 3.9Å; Y147-F162 PolarHBondContact OH-N 3.27Å
148	Y	95.4	Very high	92.5	Very high	71 Å²	71	40.7 Å²	40.7	28%	0.278	20%	0.198	S	C	.	.	H	α-helix	trans	-54.3	-47.1	171.7	174.9	-84.1	0	0	0	111.9	V44 F49 Y85 F86 L144 P145 N150 L151 N152	V44-Y148 HydrophobicContact CB-CE2 4.43Å; F49-Y148 HydrophobicContact CZ-CD2 4.02Å; F49-Y148 AromaticContact CZ-CG 3.92Å; F49-Y148 HydrophobicContact CZ-CG 3.92Å; Y85-Y148 AromaticContact CD1-CD2 3.86Å; Y85-Y148 HydrophobicContact CD1-CD2 3.86Å; Y85-Y148 AromaticContact CD1-CE2 3.72Å; Y85-Y148 HydrophobicContact CD1-CE2 3.72Å; Y85-Y148 AromaticContact CE1-CD2 3.53Å; Y85-Y148 HydrophobicContact CE1-CD2 3.53Å; Y85-Y148 AromaticContact CE1-CE2 3.16Å; Y85-Y148 HydrophobicContact CE1-CE2 3.16Å; Y85-Y148 HydrophobicContact CE2-CE2 4.38Å; Y85-Y148 AromaticContact CZ-CE2 3.58Å; F86-Y148 HydrophobicContact CE1-CD2 4.01Å; F86-Y148 HydrophobicContact CE1-CG 4.49Å; L144-Y148 WeakPolarHBondContact O-CB 3.49Å; L144-Y148 PolarHBondContact O-N 2.84Å; P145-Y148 WeakPolarHBondContact O-CB 3.3Å; P145-Y148 PolarHBondContact O-N 3.49Å; Y148-N150 VanDerWaalsContact C-N 3.34Å; Y148-N150 PolarHBondContact O-N 3.43Å; Y148-L151 PolarHBondContact O-N 3.05Å; Y148-N152 WeakPolarHBondContact CD1-ND2 3.29Å; Y148-N152 WeakPolarHBondContact CE1-ND2 3.38Å; Y148-N152 VanDerWaalsContact CZ-ND2 3.33Å; Y148-N152 PolarHBondContact O-N 2.85Å; Y148-N152 PolarHBondContact O-ND2 3.11Å
149	M	94.6	Very high	92.6	Very high	109 Å²	109	36.3 Å²	36.3	54%	0.537	18%	0.178	S	C	.	.	H	α-helix	trans	-60.9	-43	176.4	-67.1	175.1	70.8	0	0	112	P145 G146 Y147 N152 Q153	P145-M149 WeakPolarHBondContact O-CG 3.43Å; P145-M149 PolarHBondContact O-N 3.05Å; P145-M149 VanDerWaalsContact O-N 3.15Å; G146-M149 PolarHBondContact O-N 3.01Å; Y147-M149 VanDerWaalsContact C-N 3.33Å; Y147-M149 PolarHBondContact O-N 3.19Å; M149-N152 PolarHBondContact O-N 2.93Å; M149-Q153 WeakPolarHBondContact O-CB 3.38Å; M149-Q153 WeakPolarHBondContact O-CG 3.32Å; M149-Q153 PolarHBondContact O-N 3.3Å; M149-Q153 VanDerWaalsContact O-N 3.15Å
150	N	94	Very high	92.7	Very high	9 Å²	9	36.1 Å²	36.1	5%	0.048	18%	0.178	C	C	.	.	H	α-helix	trans	-62.9	-45.3	178.1	-178.2	65.4	0	0	0	111.9	G146 Y147 Y148 N152 Q153 N154 T157 V250	G146-N150 PolarHBondContact O-N 2.87Å; Y147-N150 PolarHBondContact O-N 2.93Å; Y147-N150 VanDerWaalsContact O-N 3.12Å; Y148-N150 VanDerWaalsContact C-N 3.34Å; Y148-N150 PolarHBondContact O-N 3.43Å; N150-N152 VanDerWaalsContact C-N 3.3Å; N150-N152 PolarHBondContact O-N 3.31Å; N150-Q153 PolarHBondContact O-N 3.04Å; N150-N154 CarbonylContact O-C 3.57Å; N150-N154 WeakPolarHBondContact O-CA 3.38Å; N150-N154 WeakPolarHBondContact O-CB 3.49Å; N150-N154 PolarHBondContact O-N 2.81Å; N150-T157 WeakPolarHBondContact ND2-CB 3.27Å; N150-T157 PolarHBondContact ND2-OG1 2.8Å; N150-V250 HydrophobicContact CB-CG2 4.35Å
151	L	91.1	Very high	92.6	Very high	10 Å²	10	36.5 Å²	36.5	5%	0.052	18%	0.18	C	C	.	.	H	α-helix	trans	-59.6	-41.3	179.9	-67.4	-171.6	0	0	0	112.4	F86 L89 F90 Y147 Y148 T157	F86-L151 HydrophobicContact CD1-CD1 3.58Å; F86-L151 HydrophobicContact CE1-CD1 4.02Å; F86-L151 HydrophobicContact CG-CD1 4.23Å; L89-L151 HydrophobicContact CD1-CB 4.06Å; L89-L151 HydrophobicContact CD1-CD1 4.15Å; F90-L151 HydrophobicContact CE1-CD2 4.14Å; F90-L151 HydrophobicContact CE2-CD1 3.97Å; F90-L151 HydrophobicContact CE2-CD2 4.46Å; F90-L151 HydrophobicContact CZ-CD1 3.83Å; F90-L151 HydrophobicContact CZ-CD2 3.54Å; F90-L151 HydrophobicContact CZ-CG 4.34Å; Y147-L151 HydrophobicContact CD1-CD1 4.01Å; Y147-L151 HydrophobicContact CD1-CG 4.28Å; Y147-L151 HydrophobicContact CE1-CD1 3.51Å; Y147-L151 HydrophobicContact CE1-CD2 4.3Å; Y147-L151 HydrophobicContact CE1-CG 3.99Å; Y147-L151 HydrophobicContact CE2-CD2 4.12Å; Y147-L151 HydrophobicContact CE2-CG 4.43Å; Y147-L151 WeakPolarHBondContact O-CG 3.27Å; Y147-L151 PolarHBondContact O-N 2.85Å; Y148-L151 PolarHBondContact O-N 3.05Å; L151-T157 HydrophobicContact CD2-CG2 3.61Å
152	N	89.2	Confident	92.7	Very high	74 Å²	74	35.2 Å²	35.2	40%	0.396	17%	0.174	S	C	.	.	H	α-helix	trans	-73.9	-24.9	179.7	-70	-65.3	0	0	0	113.4	Y85 Y148 M149 N150	Y85-N152 PolarHBondContact OH-OD1 3.12Å; Y148-N152 WeakPolarHBondContact CD1-ND2 3.29Å; Y148-N152 WeakPolarHBondContact CE1-ND2 3.38Å; Y148-N152 VanDerWaalsContact CZ-ND2 3.33Å; Y148-N152 PolarHBondContact O-N 2.85Å; Y148-N152 PolarHBondContact O-ND2 3.11Å; M149-N152 PolarHBondContact O-N 2.93Å; N150-N152 VanDerWaalsContact C-N 3.3Å; N150-N152 PolarHBondContact O-N 3.31Å
153	Q	89.3	Confident	92.9	Very high	124 Å²	124	29.2 Å²	29.2	58%	0.579	15%	0.151	S	C	*	.	H	α-helix	trans	-99.7	-25.3	-177.7	-67.9	-179.3	-11.4	0	0	113.6	M149 N150 R246	M149-Q153 WeakPolarHBondContact O-CB 3.38Å; M149-Q153 WeakPolarHBondContact O-CG 3.32Å; M149-Q153 PolarHBondContact O-N 3.3Å; M149-Q153 VanDerWaalsContact O-N 3.15Å; N150-Q153 PolarHBondContact O-N 3.04Å; Q153-R246 VanDerWaalsContact O-CZ 3.28Å; Q153-R246 PolarHBondContact O-NH1 3.14Å; Q153-R246 VanDerWaalsContact O-NH1 3.17Å; Q153-R246 PolarHBondContact O-NH2 3.42Å
154	N	87.4	Confident	93	Very high	5 Å²	5	29 Å²	29	3%	0.027	15%	0.15	C	C	.	.			trans	-136	71	-176.2	-168	33.5	0	0	0	109.2	N150 R156 T157 D247	N150-N154 CarbonylContact O-C 3.57Å; N150-N154 WeakPolarHBondContact O-CA 3.38Å; N150-N154 WeakPolarHBondContact O-CB 3.49Å; N150-N154 PolarHBondContact O-N 2.81Å; N154-R156 PolarHBondContact O-N 2.82Å; N154-T157 WeakPolarHBondContact O-CB 3.39Å; N154-T157 WeakPolarHBondContact O-CG2 3.48Å; N154-T157 PolarHBondContact O-N 2.82Å; N154-D247 PolarHBondContact ND2-OD1 3.39Å
155	P	77.4	Confident	93.1	Very high	97 Å²	97	29 Å²	29	63%	0.63	15%	0.15	S	C	*	.	T	Hydrogen-bonded Turn	trans	-59	-20.1	-177.4	23.4	-33.8	0	0	0	112.8	T157	P155-T157 VanDerWaalsContact C-N 3.32Å; P155-T157 PolarHBondContact O-N 3.17Å
156	R	81.1	Confident	93.2	Very high	44 Å²	44	28.3 Å²	28.3	17%	0.166	15%	0.145	C	C	.	.	T	Hydrogen-bonded Turn	trans	-89.7	12.4	-179.3	-61.9	-171.1	-160.6	-171.1	1.1	114.4	N154 T243 S299 I300 Q301 D303	N154-R156 PolarHBondContact O-N 2.82Å; R156-T243 WeakPolarHBondContact O-CG2 3.4Å; R156-S299 VanDerWaalsContact CB-O 3.24Å; R156-S299 WeakPolarHBondContact CB-O 3.48Å; R156-S299 VanDerWaalsContact CD-C 3.45Å; R156-S299 WeakPolarHBondContact CD-O 3.38Å; R156-S299 VanDerWaalsContact O-CB 3.32Å; R156-S299 WeakPolarHBondContact O-CB 3.36Å; R156-S299 PolarHBondContact O-OG 3.44Å; R156-I300 VanDerWaalsContact NH1-C 3.35Å; R156-I300 PolarHBondContact NH1-O 3.01Å; R156-Q301 VanDerWaalsContact NH1-C 3.28Å; R156-Q301 PolarHBondContact NH1-O 3.32Å; R156-Q301 PolarHBondContact NH2-O 3.34Å; R156-D303 IonicContact NH2-OD1 2.72Å
157	T	93.1	Very high	93.3	Very high	2 Å²	2	27.7 Å²	27.7	1%	0.012	14%	0.138	C	C	.	.			trans	-52.4	139.4	-177.7	172.8	0	0	0	0	112.6	N150 L151 N154 P155 L159 D247	N150-T157 WeakPolarHBondContact ND2-CB 3.27Å; N150-T157 PolarHBondContact ND2-OG1 2.8Å; L151-T157 HydrophobicContact CD2-CG2 3.61Å; N154-T157 WeakPolarHBondContact O-CB 3.39Å; N154-T157 WeakPolarHBondContact O-CG2 3.48Å; N154-T157 PolarHBondContact O-N 2.82Å; P155-T157 VanDerWaalsContact C-N 3.32Å; P155-T157 PolarHBondContact O-N 3.17Å; T157-L159 VanDerWaalsContact OG1-CB 3.3Å; T157-L159 WeakPolarHBondContact OG1-CB 3.47Å; T157-L159 VanDerWaalsContact OG1-CG 3.3Å; T157-L159 WeakPolarHBondContact OG1-CG 3.19Å; T157-L159 PolarHBondContact OG1-N 3.03Å; T157-L159 VanDerWaalsContact OG1-N 3.1Å; T157-D247 PolarHBondContact OG1-OD1 2.91Å
158	L	95.6	Very high	93.4	Very high	4 Å²	4	27.7 Å²	27.7	2%	0.021	14%	0.138	C	C	.	.			trans	-91.8	-3.5	172.9	-59.4	176.6	0	0	0	112.6	L240 T243 L244 D247 L333 I335	L158-L240 HydrophobicContact CD1-CD1 3.9Å; L158-T243 HydrophobicContact CD1-CG2 4.32Å; L158-T243 HydrophobicContact CG-CG2 3.9Å; L158-L244 HydrophobicContact CD1-CD2 3.53Å; L158-L244 HydrophobicContact CD1-CG 3.72Å; L158-D247 WeakPolarHBondContact CA-OD2 3.43Å; L158-D247 WeakPolarHBondContact CB-OD2 3.27Å; L158-D247 PolarHBondContact N-OD2 2.88Å; L158-L333 HydrophobicContact CD1-CD1 3.45Å; L158-L333 VanDerWaalsContact CD1-CD1 3.45Å; L158-L333 HydrophobicContact CD2-CD1 3.48Å; L158-L333 VanDerWaalsContact CD2-CD1 3.48Å; L158-L333 HydrophobicContact CG-CD1 4.02Å; L158-I335 HydrophobicContact CB-CD1 4.46Å; L158-I335 HydrophobicContact CB-CG1 4.2Å; L158-I335 PolarHBondContact O-N 2.84Å
159	L	96.3	Very high	93.4	Very high	4 Å²	4	26.7 Å²	26.7	2%	0.021	14%	0.136	C	C	.	.	S	Bend	trans	-58	154.1	170.7	-58.1	-176.4	0	0	0	111.3	Y147 T157 K161 D247 V250 L251 I335 I338	Y147-L159 HydrophobicContact CE2-CB 4.46Å; T157-L159 VanDerWaalsContact OG1-CB 3.3Å; T157-L159 WeakPolarHBondContact OG1-CB 3.47Å; T157-L159 VanDerWaalsContact OG1-CG 3.3Å; T157-L159 WeakPolarHBondContact OG1-CG 3.19Å; T157-L159 PolarHBondContact OG1-N 3.03Å; T157-L159 VanDerWaalsContact OG1-N 3.1Å; L159-K161 PolarHBondContact O-N 2.8Å; L159-D247 HydrophobicContact CD2-CB 4.04Å; L159-D247 HydrophobicContact CG-CB 4.2Å; L159-V250 HydrophobicContact CD1-CG1 4.12Å; L159-L251 HydrophobicContact CD2-CD1 3.87Å; L159-L251 HydrophobicContact CD2-CD2 3.83Å; L159-L251 HydrophobicContact CD2-CG 3.87Å; L159-I335 HydrophobicContact CD2-CB 4.41Å; L159-I335 HydrophobicContact CD2-CD1 4.18Å; L159-I335 HydrophobicContact CD2-CG2 4.49Å; L159-I338 HydrophobicContact CD2-CD1 4.5Å
160	P	95.8	Very high	93.1	Very high	7 Å²	7	23.6 Å²	23.6	5%	0.045	12%	0.123	C	C	.	.			trans	-54.2	137.6	175.7	-24.9	35.3	0	0	0	111.5	Y147 F162 M180 I335 I338	Y147-P160 PolarHBondContact OH-O 3.42Å; P160-F162 HydrophobicContact CB-CD1 4.3Å; P160-F162 HydrophobicContact CB-CE1 3.78Å; P160-F162 HydrophobicContact CB-CE2 4.29Å; P160-F162 HydrophobicContact CB-CZ 3.78Å; P160-F162 HydrophobicContact CG-CE1 4.44Å; P160-F162 HydrophobicContact CG-CZ 4.13Å; P160-F162 PolarHBondContact O-N 2.66Å; P160-M180 HydrophobicContact CB-SD 4.47Å; P160-I335 WeakPolarHBondContact CD-O 3.24Å; P160-I335 VanDerWaalsContact CG-O 3.28Å; P160-I335 WeakPolarHBondContact CG-O 3.43Å; P160-I338 HydrophobicContact CG-CD1 4.21Å; P160-I338 HydrophobicContact CG-CG1 4.05Å
161	K	95.2	Very high	92.6	Very high	8 Å²	8	26.4 Å²	26.4	4%	0.035	16%	0.155	C	C	.	.			trans	-85.1	103	173	-56.4	-175.4	175.4	-174.1	0	107.8	F90 Y147 L159 Y163 M180 N181 T295 E298	F90-K161 HydrophobicContact CD1-CD 3.74Å; F90-K161 HydrophobicContact CD1-CG 4.23Å; F90-K161 HydrophobicContact CD2-CB 4.14Å; F90-K161 HydrophobicContact CE1-CB 4.32Å; F90-K161 HydrophobicContact CE1-CD 3.75Å; F90-K161 HydrophobicContact CE1-CG 3.77Å; F90-K161 HydrophobicContact CE2-CB 3.76Å; F90-K161 HydrophobicContact CE2-CG 4.13Å; F90-K161 HydrophobicContact CG-CD 4.15Å; F90-K161 HydrophobicContact CZ-CB 3.84Å; F90-K161 HydrophobicContact CZ-CD 4.16Å; F90-K161 HydrophobicContact CZ-CG 3.69Å; Y147-K161 WeakPolarHBondContact OH-CA 3.44Å; L159-K161 PolarHBondContact O-N 2.8Å; K161-Y163 HydrophobicContact CB-CE1 3.61Å; K161-Y163 WeakPolarHBondContact CB-OH 3.45Å; K161-Y163 WeakPolarHBondContact CD-OH 3.32Å; K161-M180 CarbonylContact O-C 3.6Å; K161-M180 WeakPolarHBondContact O-CA 3.44Å; K161-M180 VanDerWaalsContact O-CB 3.29Å; K161-M180 WeakPolarHBondContact O-CB 3.48Å; K161-N181 HydrophobicContact CB-CB 3.98Å; K161-N181 WeakPolarHBondContact CB-OD1 3.44Å; K161-N181 HydrophobicContact CD-CB 4.29Å; K161-N181 HydrophobicContact CG-CB 4.35Å; K161-N181 PolarHBondContact N-OD1 2.68Å; K161-N181 PolarHBondContact O-N 3.21Å; K161-N181 VanDerWaalsContact O-N 3.13Å; K161-T295 WeakPolarHBondContact CE-OG1 3.47Å; K161-E298 IonicContact NZ-OE2 2.69Å
162	F	97.6	Very high	92.2	Very high	4 Å²	4	29.7 Å²	29.7	2%	0.018	19%	0.191	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-90.1	125.4	-177.3	-59.4	-65	0	0	0	111.4	F83 L140 Y147 P160 V178 M180 I338 L339	F83-F162 HydrophobicContact CE1-CB 3.81Å; L140-F162 HydrophobicContact CD1-CD2 3.77Å; L140-F162 HydrophobicContact CD1-CE2 3.69Å; L140-F162 HydrophobicContact CD1-CG 4.24Å; L140-F162 HydrophobicContact CD1-CZ 4.1Å; L140-F162 HydrophobicContact CD2-CD1 4.42Å; Y147-F162 HydrophobicContact CE1-CD2 4.13Å; Y147-F162 HydrophobicContact CE2-CD2 4.13Å; Y147-F162 HydrophobicContact CE2-CE2 4.44Å; Y147-F162 AromaticContact CZ-CD2 3.9Å; Y147-F162 PolarHBondContact OH-N 3.27Å; P160-F162 HydrophobicContact CB-CD1 4.3Å; P160-F162 HydrophobicContact CB-CE1 3.78Å; P160-F162 HydrophobicContact CB-CE2 4.29Å; P160-F162 HydrophobicContact CB-CZ 3.78Å; P160-F162 HydrophobicContact CG-CE1 4.44Å; P160-F162 HydrophobicContact CG-CZ 4.13Å; P160-F162 PolarHBondContact O-N 2.66Å; F162-V178 HydrophobicContact CD1-CG1 3.45Å; F162-V178 VanDerWaalsContact CD1-CG1 3.45Å; F162-V178 HydrophobicContact CE1-CG1 3.85Å; F162-M180 HydrophobicContact CD1-CB 4.16Å; F162-M180 HydrophobicContact CE1-SD 4.47Å; F162-I338 HydrophobicContact CE2-CD1 3.96Å; F162-I338 HydrophobicContact CZ-CD1 3.98Å; F162-I338 HydrophobicContact CZ-CG1 4.03Å; F162-L339 HydrophobicContact CZ-CD2 4Å
163	Y	97.9	Very high	92.1	Very high	0 Å²	0	33.6 Å²	33.6	0%	0	21%	0.205	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-111.4	-13.3	-174.5	-51.9	-44.4	0	0	0	113.8	F83 R87 F90 I92 Y97 F127 K161 V179 N181	F83-Y163 VanDerWaalsContact CD1-C 3.49Å; R87-Y163 HydrophobicContact CG-CD1 4.08Å; R87-Y163 HydrophobicContact CG-CG 4.32Å; F90-Y163 HydrophobicContact CB-CE1 4.15Å; F90-Y163 HydrophobicContact CD2-CD1 4.12Å; F90-Y163 AromaticContact CD2-CE1 3.51Å; F90-Y163 HydrophobicContact CD2-CE1 3.51Å; F90-Y163 HydrophobicContact CE2-CE1 4.17Å; F90-Y163 HydrophobicContact CG-CE1 4.08Å; I92-Y163 HydrophobicContact CD1-CD1 3.57Å; I92-Y163 HydrophobicContact CD1-CD2 4.15Å; I92-Y163 HydrophobicContact CD1-CE1 3.19Å; I92-Y163 HydrophobicContact CD1-CE2 3.79Å; I92-Y163 HydrophobicContact CD1-CG 4.03Å; Y97-Y163 HydrophobicContact CE2-CG 4.38Å; Y97-Y163 PolarHBondContact OH-O 3.16Å; F127-Y163 AromaticContact CD1-CD2 3.42Å; F127-Y163 HydrophobicContact CD1-CD2 3.42Å; F127-Y163 VanDerWaalsContact CD1-CD2 3.42Å; F127-Y163 AromaticContact CD1-CE2 3.47Å; F127-Y163 HydrophobicContact CD1-CE2 3.47Å; F127-Y163 VanDerWaalsContact CD1-CE2 3.47Å; F127-Y163 AromaticContact CE1-CD2 3.54Å; F127-Y163 HydrophobicContact CE1-CD2 3.54Å; F127-Y163 AromaticContact CE1-CE2 3.46Å; F127-Y163 HydrophobicContact CE1-CE2 3.46Å; F127-Y163 VanDerWaalsContact CE1-CE2 3.46Å; F127-Y163 HydrophobicContact CE1-CG 4.44Å; K161-Y163 HydrophobicContact CB-CE1 3.61Å; K161-Y163 WeakPolarHBondContact CB-OH 3.45Å; K161-Y163 WeakPolarHBondContact CD-OH 3.32Å; Y163-V179 HydrophobicContact CD2-CG1 4.39Å; Y163-V179 PolarHBondContact N-O 2.8Å; Y163-N181 HydrophobicContact CE2-CB 3.98Å; Y163-N181 VanDerWaalsContact CE2-N 3.29Å; Y163-N181 WeakPolarHBondContact OH-CB 3.5Å
164	G	98.3	Very high	92.3	Very high	0 Å²	0	31 Å²	31	0%	0	20%	0.195	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-175.3	149.6	174.3	0	0	0	0	0	112.9	V178 V179	G164-V178 WeakPolarHBondContact O-CA 3.48Å; G164-V179 PolarHBondContact N-O 3.5Å; G164-V179 PolarHBondContact O-N 3.23Å
165	L	98.7	Very high	92.6	Very high	0 Å²	0	33.1 Å²	33.1	0%	0	21%	0.206	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-126.3	121.9	170.6	172	63.3	0	0	0	108.6	Y78 F83 A137 L140 L177 V178	Y78-L165 HydrophobicContact CD1-CD2 4.29Å; Y78-L165 HydrophobicContact CD2-CD2 4.31Å; Y78-L165 HydrophobicContact CD2-CG 3.84Å; Y78-L165 WeakPolarHBondContact CD2-O 3.39Å; Y78-L165 HydrophobicContact CG-CD2 3.87Å; Y78-L165 HydrophobicContact CG-CG 3.87Å; Y78-L165 PolarHBondContact N-O 3.13Å; F83-L165 HydrophobicContact CE2-CB 3.64Å; F83-L165 HydrophobicContact CZ-CB 3.68Å; A137-L165 HydrophobicContact CB-CD1 3.96Å; L140-L165 HydrophobicContact CB-CD2 4.44Å; L140-L165 HydrophobicContact CD2-CB 4.35Å; L140-L165 HydrophobicContact CD2-CD1 4.34Å; L140-L165 HydrophobicContact CD2-CD2 4.2Å; L140-L165 HydrophobicContact CG-CD2 4.34Å; L165-L177 WeakPolarHBondContact CA-O 3.39Å; L165-V178 HydrophobicContact CD1-CG2 3.76Å
166	Y	98.5	Very high	93.5	Very high	6 Å²	6	30.1 Å²	30.1	2%	0.024	18%	0.182	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-132.1	160.3	-172.8	-48.4	-77.3	0	0	0	111.8	I29 F75 K76 T77 Y97 R176 L177 V179	I29-Y166 HydrophobicContact CD1-CD2 4.19Å; I29-Y166 HydrophobicContact CD1-CE2 3.88Å; I29-Y166 HydrophobicContact CG1-CD2 4.25Å; I29-Y166 HydrophobicContact CG1-CE1 4.37Å; I29-Y166 HydrophobicContact CG1-CE2 3.99Å; F75-Y166 AromaticContact CE1-CD1 3.55Å; F75-Y166 HydrophobicContact CE1-CD1 3.55Å; F75-Y166 HydrophobicContact CE1-CE1 4.31Å; F75-Y166 HydrophobicContact CE1-CG 4.06Å; F75-Y166 AromaticContact CZ-CD1 3.74Å; F75-Y166 HydrophobicContact CZ-CD1 3.74Å; F75-Y166 AromaticContact CZ-CG 3.77Å; F75-Y166 HydrophobicContact CZ-CG 3.77Å; K76-Y166 CarbonylContact O-C 3.57Å; K76-Y166 VanDerWaalsContact O-CA 3.23Å; K76-Y166 WeakPolarHBondContact O-CA 3.38Å; T77-Y166 HydrophobicContact CG2-CD1 4.03Å; T77-Y166 HydrophobicContact CG2-CE1 3.83Å; Y97-Y166 PolarHBondContact OH-OH 3.35Å; Y166-R176 WeakPolarHBondContact O-CA 3.28Å; Y166-L177 PolarHBondContact N-O 3.5Å; Y166-L177 PolarHBondContact O-N 2.93Å; Y166-V179 HydrophobicContact CD2-CG2 4.14Å; Y166-V179 HydrophobicContact CE2-CB 4.45Å; Y166-V179 HydrophobicContact CE2-CG2 3.68Å
167	C	98	Very high	94.3	Very high	1 Å²	1	28 Å²	28	1%	0.007	17%	0.174	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-141.4	123.8	171	176.2	0	0	0	0	111.3	K76 Y78 I175 R176	K76-C167 HydrophobicContact CB-CB 4.08Å; K76-C167 PolarHBondContact N-O 3.49Å; K76-C167 PolarHBondContact O-N 2.99Å; Y78-C167 HydrophobicContact CE2-CB 3.64Å; C167-I175 CarbonylContact C-O 3.43Å; C167-I175 VanDerWaalsContact CA-O 3.3Å; C167-I175 WeakPolarHBondContact CA-O 3.45Å; C167-R176 HydrophobicContact CB-CG 3.93Å
168	I	96.6	Very high	94.5	Very high	2 Å²	2	28 Å²	28	1%	0.01	17%	0.174	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-94	124.1	171.2	-62.3	168.8	0	0	0	107.9	L21 A24 I25 F73 F75 T170 N174 I175 L177	L21-I168 HydrophobicContact CD1-CD1 3.66Å; A24-I168 HydrophobicContact CB-CD1 4.05Å; I25-I168 HydrophobicContact CB-CD1 4.48Å; I25-I168 HydrophobicContact CG1-CD1 3.56Å; F73-I168 HydrophobicContact CB-CG2 4.2Å; F73-I168 HydrophobicContact CD2-CG2 3.91Å; F73-I168 HydrophobicContact CG-CG2 4.34Å; F75-I168 HydrophobicContact CD2-CD1 4.47Å; F75-I168 HydrophobicContact CD2-CG1 3.66Å; F75-I168 HydrophobicContact CE2-CD1 4.22Å; F75-I168 HydrophobicContact CE2-CG1 3.73Å; I168-T170 HydrophobicContact CG2-CG2 4.44Å; I168-N174 WeakPolarHBondContact O-CA 3.18Å; I168-I175 PolarHBondContact N-O 2.81Å; I168-I175 PolarHBondContact O-N 3.38Å; I168-L177 HydrophobicContact CD1-CD1 3.87Å; I168-L177 HydrophobicContact CG1-CD1 4.4Å
169	Q	95	Very high	94.6	Very high	51 Å²	51	27.8 Å²	27.8	24%	0.238	17%	0.173	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-112.3	116	173.8	-40.2	-170.6	-74.4	0	0	109.5	F73 R74 K76 F173 N174	F73-Q169 CarbonylContact C-O 3.57Å; F73-Q169 VanDerWaalsContact CA-O 3.28Å; F73-Q169 WeakPolarHBondContact CA-O 3.34Å; F73-Q169 WeakPolarHBondContact CB-O 3.32Å; R74-Q169 HydrophobicContact CB-CB 4.22Å; R74-Q169 PolarHBondContact N-O 3.44Å; R74-Q169 PolarHBondContact O-N 3.49Å; K76-Q169 HydrophobicContact CD-CG 4.42Å; K76-Q169 VanDerWaalsContact NZ-CD 3.28Å; Q169-F173 VanDerWaalsContact CA-O 3.31Å; Q169-F173 WeakPolarHBondContact CA-O 3.39Å; Q169-N174 WeakPolarHBondContact CG-OD1 3.48Å; Q169-N174 PolarHBondContact NE2-OD1 3.48Å
170	T	89.3	Confident	94.6	Very high	43 Å²	43	28.8 Å²	28.8	26%	0.264	18%	0.178	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-148.2	139	178.6	-174.1	0	0	0	0	109.9	D72 I168 G172 F173	D72-T170 PolarHBondContact O-OG1 2.91Å; I168-T170 HydrophobicContact CG2-CG2 4.44Å; T170-G172 PolarHBondContact O-N 2.96Å; T170-G172 VanDerWaalsContact O-N 3.1Å; T170-F173 PolarHBondContact N-O 2.85Å; T170-F173 VanDerWaalsContact N-O 3.13Å; T170-F173 PolarHBondContact O-N 3.12Å
171	G	82.9	Confident	94.5	Very high	68 Å²	68	28.7 Å²	28.7	70%	0.701	18%	0.177	S	C	*	.	T	Hydrogen-bonded Turn	trans	54.3	31.9	177.7	0	0	0	0	0	115.2	F173	G171-F173 VanDerWaalsContact C-N 3.27Å; G171-F173 WeakPolarHBondContact O-CD2 3.44Å; G171-F173 WeakPolarHBondContact O-CE2 3.24Å; G171-F173 PolarHBondContact O-N 3.31Å
172	G	82.5	Confident	94.3	Very high	79 Å²	79	29 Å²	29	81%	0.814	18%	0.179	S	C	*	.	T	Hydrogen-bonded Turn	trans	80.7	-4.9	-176.1	0	0	0	0	0	115.5	T170	T170-G172 PolarHBondContact O-N 2.96Å; T170-G172 VanDerWaalsContact O-N 3.1Å
173	F	87.7	Confident	93.9	Very high	156 Å²	156	29.4 Å²	29.4	68%	0.684	18%	0.182	S	C	*	.	E	Extended strand (participates in β ladder)	trans	-94.4	151.7	177.6	-60	-82.1	0	0	0	111.8	Q169 T170 G171	Q169-F173 VanDerWaalsContact CA-O 3.31Å; Q169-F173 WeakPolarHBondContact CA-O 3.39Å; T170-F173 PolarHBondContact N-O 2.85Å; T170-F173 VanDerWaalsContact N-O 3.13Å; T170-F173 PolarHBondContact O-N 3.12Å; G171-F173 VanDerWaalsContact C-N 3.27Å; G171-F173 WeakPolarHBondContact O-CD2 3.44Å; G171-F173 WeakPolarHBondContact O-CE2 3.24Å; G171-F173 PolarHBondContact O-N 3.31Å
174	N	93.1	Very high	93.5	Very high	70 Å²	70	30.6 Å²	30.6	37%	0.374	19%	0.188	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-125.3	110.1	178	-66.4	-68.6	0	0	0	110.2	I168 Q169	I168-N174 WeakPolarHBondContact O-CA 3.18Å; Q169-N174 WeakPolarHBondContact CG-OD1 3.48Å; Q169-N174 PolarHBondContact NE2-OD1 3.48Å
175	I	94.3	Very high	92.7	Very high	50 Å²	50	30.7 Å²	30.7	26%	0.256	19%	0.188	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-103.1	115.6	177.1	-57.4	171.6	0	0	0	107.7	L21 T131 C167 I168 L177	L21-I175 HydrophobicContact CD1-CB 4.49Å; L21-I175 HydrophobicContact CD1-CD1 3.75Å; L21-I175 HydrophobicContact CD1-CG2 4.11Å; L21-I175 HydrophobicContact CD2-CD1 4.01Å; L21-I175 HydrophobicContact CD2-CG2 4.25Å; L21-I175 HydrophobicContact CG-CD1 4.48Å; T131-I175 HydrophobicContact CG2-CG2 4.12Å; C167-I175 CarbonylContact C-O 3.43Å; C167-I175 VanDerWaalsContact CA-O 3.3Å; C167-I175 WeakPolarHBondContact CA-O 3.45Å; I168-I175 PolarHBondContact N-O 2.81Å; I168-I175 PolarHBondContact O-N 3.38Å; I175-L177 HydrophobicContact CG2-CD2 4.1Å; I175-L177 HydrophobicContact CG2-CG 4.36Å
176	R	96.6	Very high	91.9	Very high	33 Å²	33	37.3 Å²	37.3	13%	0.125	21%	0.213	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-104.2	139.4	-179.4	-63.7	178	-172.8	74	2.5	110.1	T131 V132 H134 A137 Y166 C167	T131-R176 CarbonylContact C-O 3.49Å; T131-R176 VanDerWaalsContact CA-O 3.26Å; T131-R176 WeakPolarHBondContact CA-O 3.49Å; V132-R176 HydrophobicContact CG2-CB 3.83Å; V132-R176 PolarHBondContact N-O 3.4Å; H134-R176 PolarHBondContact ND1-NE 3.15Å; H134-R176 PolarHBondContact ND1-NH2 2.65Å; A137-R176 HydrophobicContact CB-CB 4.23Å; A137-R176 VanDerWaalsContact CB-CD 3.42Å; A137-R176 HydrophobicContact CB-CG 4.37Å; Y166-R176 WeakPolarHBondContact O-CA 3.28Å; C167-R176 HydrophobicContact CB-CG 3.93Å
177	L	96.6	Very high	91.1	Very high	1 Å²	1	39.8 Å²	39.8	1%	0.005	23%	0.231	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-134	137.2	-167.9	-59.3	164.3	0	0	0	109.4	I25 I129 K130 T131 L165 Y166 I168 I175	I25-L177 HydrophobicContact CD1-CD1 3.6Å; I25-L177 HydrophobicContact CD1-CD2 4.08Å; I25-L177 HydrophobicContact CG1-CD1 3.41Å; I25-L177 VanDerWaalsContact CG1-CD1 3.41Å; I129-L177 HydrophobicContact CG2-CB 4.12Å; I129-L177 HydrophobicContact CG2-CD2 4.06Å; K130-L177 WeakPolarHBondContact O-CA 3.49Å; T131-L177 HydrophobicContact CG2-CD2 3.66Å; L165-L177 WeakPolarHBondContact CA-O 3.39Å; Y166-L177 PolarHBondContact N-O 3.5Å; Y166-L177 PolarHBondContact O-N 2.93Å; I168-L177 HydrophobicContact CD1-CD1 3.87Å; I168-L177 HydrophobicContact CG1-CD1 4.4Å; I175-L177 HydrophobicContact CG2-CD2 4.1Å; I175-L177 HydrophobicContact CG2-CG 4.36Å
178	V	98.1	Very high	90.4	Very high	1 Å²	1	39.8 Å²	39.8	1%	0.006	23%	0.231	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-116.4	128	169.2	175.1	0	0	0	0	107.7	I129 K130 V132 L140 F162 G164 L165 M180 L339	I129-V178 WeakPolarHBondContact CA-O 3.35Å; K130-V178 PolarHBondContact N-O 3.32Å; K130-V178 PolarHBondContact O-N 3.09Å; V132-V178 HydrophobicContact CG1-CB 4.35Å; V132-V178 HydrophobicContact CG1-CG2 3.83Å; V132-V178 HydrophobicContact CG2-CG2 3.9Å; L140-V178 HydrophobicContact CD2-CG1 4.19Å; L140-V178 HydrophobicContact CD2-CG2 3.65Å; F162-V178 HydrophobicContact CD1-CG1 3.45Å; F162-V178 VanDerWaalsContact CD1-CG1 3.45Å; F162-V178 HydrophobicContact CE1-CG1 3.85Å; G164-V178 WeakPolarHBondContact O-CA 3.48Å; L165-V178 HydrophobicContact CD1-CG2 3.76Å; V178-M180 HydrophobicContact CG1-CB 4.48Å; V178-L339 HydrophobicContact CG2-CD1 4.4Å
179	V	98.3	Very high	90.1	Very high	0 Å²	0	45.4 Å²	45.4	0%	0	26%	0.256	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-96	129.4	169	-176.4	0	0	0	0	108	I29 Y97 L101 F127 I128 I129 Y163 G164 Y166	I29-V179 HydrophobicContact CD1-CG2 4.19Å; Y97-V179 HydrophobicContact CE2-CG1 3.97Å; Y97-V179 WeakPolarHBondContact OH-CB 3.06Å; Y97-V179 WeakPolarHBondContact OH-CG1 3.06Å; L101-V179 HydrophobicContact CD1-CG1 4.09Å; L101-V179 HydrophobicContact CD2-CG1 4.22Å; F127-V179 HydrophobicContact CB-CG1 4.22Å; F127-V179 HydrophobicContact CD1-CG1 4.49Å; I128-V179 WeakPolarHBondContact O-CA 3.46Å; I129-V179 HydrophobicContact CG1-CG2 4.16Å; I129-V179 HydrophobicContact CG2-CG2 4.27Å; Y163-V179 HydrophobicContact CD2-CG1 4.39Å; Y163-V179 PolarHBondContact N-O 2.8Å; G164-V179 PolarHBondContact N-O 3.5Å; G164-V179 PolarHBondContact O-N 3.23Å; Y166-V179 HydrophobicContact CD2-CG2 4.14Å; Y166-V179 HydrophobicContact CE2-CB 4.45Å; Y166-V179 HydrophobicContact CE2-CG2 3.68Å
180	M	96.3	Very high	90	Very high	25 Å²	25	43.6 Å²	43.6	12%	0.123	25%	0.248	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-148.4	169.4	-176.9	64.4	-173.9	-137	0	0	112	I128 P160 K161 F162 V178	I128-M180 HydrophobicContact CB-CG 4.33Å; I128-M180 PolarHBondContact N-O 3.1Å; I128-M180 PolarHBondContact O-N 3.4Å; P160-M180 HydrophobicContact CB-SD 4.47Å; K161-M180 CarbonylContact O-C 3.6Å; K161-M180 WeakPolarHBondContact O-CA 3.44Å; K161-M180 VanDerWaalsContact O-CB 3.29Å; K161-M180 WeakPolarHBondContact O-CB 3.48Å; F162-M180 HydrophobicContact CD1-CB 4.16Å; F162-M180 HydrophobicContact CE1-SD 4.47Å; V178-M180 HydrophobicContact CG1-CB 4.48Å
181	N	92.4	Very high	90.2	Very high	5 Å²	5	44.8 Å²	44.8	3%	0.027	25%	0.25	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-62.8	148.1	176.7	64.7	-48.4	0	0	0	113.3	K161 Y163 T295	K161-N181 HydrophobicContact CB-CB 3.98Å; K161-N181 WeakPolarHBondContact CB-OD1 3.44Å; K161-N181 HydrophobicContact CD-CB 4.29Å; K161-N181 HydrophobicContact CG-CB 4.35Å; K161-N181 PolarHBondContact N-OD1 2.68Å; K161-N181 PolarHBondContact O-N 3.21Å; K161-N181 VanDerWaalsContact O-N 3.13Å; Y163-N181 HydrophobicContact CE2-CB 3.98Å; Y163-N181 VanDerWaalsContact CE2-N 3.29Å; Y163-N181 WeakPolarHBondContact OH-CB 3.5Å; N181-T295 PolarHBondContact ND2-OG1 3.49Å; N181-T295 VanDerWaalsContact ND2-OG1 3.12Å
182	N	91.1	Very high	90.8	Very high	15 Å²	15	45.5 Å²	45.5	8%	0.08	23%	0.232	C	C	.	.			trans	-81.1	117.2	161.7	-173.5	8.6	0	0	0	110.6	L121 D125 E126 I128 L184	L121-N182 HydrophobicContact CD1-CB 4.43Å; D125-N182 VanDerWaalsContact O-CB 3.29Å; D125-N182 WeakPolarHBondContact O-CB 3.41Å; D125-N182 PolarHBondContact O-ND2 3.11Å; D125-N182 PolarHBondContact OD1-ND2 3.48Å; E126-N182 PolarHBondContact O-N 3.31Å; I128-N182 HydrophobicContact CD1-CB 4.08Å; I128-N182 HydrophobicContact CG1-CB 3.97Å; N182-L184 PolarHBondContact ND2-O 3Å; N182-L184 PolarHBondContact OD1-N 3.41Å; N182-L184 VanDerWaalsContact OD1-N 3.07Å; N182-L184 PolarHBondContact OD1-O 3.2Å
183	V	90.1	Very high	91.5	Very high	12 Å²	12	43.6 Å²	43.6	7%	0.073	20%	0.201	C	C	.	.	S	Bend	trans	-74.5	-30.8	177.6	176.4	0	0	0	0	111.7	P185 L262 I336	V183-P185 WeakPolarHBondContact O-CD 3.18Å; V183-L262 HydrophobicContact CB-CD2 4.13Å; V183-L262 HydrophobicContact CG1-CD2 4.3Å; V183-L262 HydrophobicContact CG1-CG 4.49Å; V183-I336 HydrophobicContact CG2-CG2 4.48Å
184	L	90.3	Very high	92	Very high	25 Å²	25	36.1 Å²	36.1	13%	0.131	17%	0.169	C	C	.	.	S	Bend	trans	-122.8	88.1	-173.1	-60.8	-174.2	0	0	0	110.2	N182 M190 K193 L262 F332	N182-L184 PolarHBondContact ND2-O 3Å; N182-L184 PolarHBondContact OD1-N 3.41Å; N182-L184 VanDerWaalsContact OD1-N 3.07Å; N182-L184 PolarHBondContact OD1-O 3.2Å; L184-M190 HydrophobicContact CD2-SD 4.32Å; L184-K193 HydrophobicContact CD1-CD 3.89Å; L184-K193 HydrophobicContact CD1-CG 4.04Å; L184-L262 HydrophobicContact CD1-CD1 3.83Å; L184-L262 HydrophobicContact CD1-CD2 3.87Å; L184-L262 HydrophobicContact CD1-CG 3.76Å; L184-L262 HydrophobicContact CG-CD2 3.92Å; L184-L262 HydrophobicContact CG-CG 4.05Å; L184-F332 HydrophobicContact CD2-CB 3.9Å
185	P	80.3	Confident	92.1	Very high	1 Å²	1	34.3 Å²	34.3	1%	0.006	16%	0.159	C	C	.	.			trans	-66.3	138.7	-179.4	27.1	-33.6	0	0	0	111.8	D125 V183 S187 V188 V291 F332	D125-P185 VanDerWaalsContact OD2-C 3.22Å; D125-P185 WeakPolarHBondContact OD2-CA 3.43Å; D125-P185 VanDerWaalsContact OD2-CB 3.32Å; D125-P185 WeakPolarHBondContact OD2-CB 3.21Å; V183-P185 WeakPolarHBondContact O-CD 3.18Å; P185-S187 VanDerWaalsContact C-N 3.28Å; P185-V188 HydrophobicContact CG-CG2 4.23Å; P185-V188 PolarHBondContact O-N 3.3Å; P185-V188 VanDerWaalsContact O-O 3.11Å; P185-V291 HydrophobicContact CB-CB 4.44Å; P185-V291 HydrophobicContact CB-CG1 4.09Å; P185-V291 HydrophobicContact CB-CG2 3.6Å; P185-V291 HydrophobicContact CG-CG1 4.34Å; P185-V291 HydrophobicContact CG-CG2 4.04Å; P185-F332 HydrophobicContact CG-CD1 4.5Å; P185-F332 HydrophobicContact CG-CE1 4.4Å
186	R	82.9	Confident	92.3	Very high	139 Å²	139	31.9 Å²	31.9	53%	0.525	15%	0.146	S	C	.	.	T	Hydrogen-bonded Turn	trans	-64.9	-26.7	171.2	-68.5	173.9	66.6	-168.2	-1.5	113.3	L121 D125 V188	L121-R186 VanDerWaalsContact CD2-CD 3.48Å; L121-R186 HydrophobicContact CD2-CG 4.39Å; D125-R186 WeakPolarHBondContact OD1-CD 3.4Å; D125-R186 WeakPolarHBondContact OD1-CG 3.33Å; D125-R186 PolarHBondContact OD1-N 3.34Å; D125-R186 PolarHBondContact OD2-N 3.25Å; R186-V188 PolarHBondContact O-N 2.95Å
187	S	80.5	Confident	92.2	Very high	58 Å²	58	32.1 Å²	32.1	41%	0.406	15%	0.148	S	C	.	.	T	Hydrogen-bonded Turn	trans	-60.8	-24.9	175.9	61.3	0	0	0	0	112	P185 V291	P185-S187 VanDerWaalsContact C-N 3.28Å; S187-V291 WeakPolarHBondContact OG-CG2 3.43Å
188	V	84.6	Confident	92.1	Very high	2 Å²	2	32.6 Å²	32.6	1%	0.012	15%	0.153	C	C	.	.	S	Bend	trans	-105.9	130	175.9	-172.3	0	0	0	0	110.2	P185 R186 M190 H266 M316 F332	P185-V188 HydrophobicContact CG-CG2 4.23Å; P185-V188 PolarHBondContact O-N 3.3Å; P185-V188 VanDerWaalsContact O-O 3.11Å; R186-V188 PolarHBondContact O-N 2.95Å; V188-M190 HydrophobicContact CB-CE 3.48Å; V188-M190 VanDerWaalsContact CB-CE 3.48Å; V188-M190 HydrophobicContact CG1-CE 3.44Å; V188-M190 VanDerWaalsContact CG1-CE 3.44Å; V188-M190 PolarHBondContact O-N 3.49Å; V188-H266 HydrophobicContact CG1-CB 3.98Å; V188-M316 HydrophobicContact CG1-SD 4.43Å; V188-M316 HydrophobicContact CG2-CB 3.99Å; V188-M316 HydrophobicContact CG2-CE 3.98Å; V188-M316 HydrophobicContact CG2-SD 3.83Å; V188-F332 HydrophobicContact CB-CZ 4.49Å; V188-F332 HydrophobicContact CG1-CE2 3.96Å; V188-F332 HydrophobicContact CG1-CZ 4.21Å; V188-F332 HydrophobicContact CG2-CZ 4.09Å
189	K	89.8	Confident	91.7	Very high	119 Å²	119	33.8 Å²	33.8	52%	0.517	16%	0.162	S	C	.	.			trans	-72.5	100.3	176.7	-176.5	-172.6	172.6	-156.2	0	110.4	H191 H266	K189-H191 WeakPolarHBondContact CE-NE2 3.42Å; K189-H191 PolarHBondContact NZ-NE2 3.17Å; K189-H191 PolarHBondContact O-N 2.89Å; K189-H191 PolarHBondContact O-ND1 3.18Å; K189-H266 PolarHBondContact O-ND1 2.97Å
190	M	92.4	Very high	91	Very high	14 Å²	14	38.5 Å²	38.5	7%	0.069	19%	0.191	C	C	.	.			trans	-70.6	108.9	168.7	-60.8	-58.2	128.5	0	0	110	L184 V188 K193 F332	L184-M190 HydrophobicContact CD2-SD 4.32Å; V188-M190 HydrophobicContact CB-CE 3.48Å; V188-M190 VanDerWaalsContact CB-CE 3.48Å; V188-M190 HydrophobicContact CG1-CE 3.44Å; V188-M190 VanDerWaalsContact CG1-CE 3.44Å; V188-M190 PolarHBondContact O-N 3.49Å; M190-K193 HydrophobicContact CB-CD 4.22Å; M190-K193 HydrophobicContact CB-CG 3.78Å; M190-K193 HydrophobicContact CG-CG 4.36Å; M190-F332 HydrophobicContact CE-CD2 3.58Å; M190-F332 HydrophobicContact CE-CE2 3.86Å; M190-F332 HydrophobicContact CE-CG 4.09Å; M190-F332 HydrophobicContact SD-CD2 4.11Å
191	H	93.8	Very high	90.3	Very high	68 Å²	68	45.9 Å²	45.9	32%	0.315	22%	0.219	S	C	.	.	S	Bend	trans	-73.3	-38.9	175.6	-68.7	88	0	0	0	110.6	K189 V265 H266 V267	K189-H191 WeakPolarHBondContact CE-NE2 3.42Å; K189-H191 PolarHBondContact NZ-NE2 3.17Å; K189-H191 PolarHBondContact O-N 2.89Å; K189-H191 PolarHBondContact O-ND1 3.18Å; H191-V265 PolarHBondContact N-O 3.41Å; H191-H266 AromaticContact CE1-CE1 3.95Å; H191-H266 AromaticContact CE1-ND1 3.73Å; H191-H266 AromaticContact ND1-ND1 3.67Å; H191-V267 HydrophobicContact CB-CG2 4.07Å; H191-V267 PolarHBondContact CE1-O 3.4Å; H191-V267 VanDerWaalsContact CE1-O 3.31Å; H191-V267 PolarHBondContact ND1-N 3.41Å; H191-V267 VanDerWaalsContact ND1-N 3.12Å
192	Y	95.6	Very high	90	Very high	83 Å²	83	53 Å²	53	33%	0.325	25%	0.249	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-129.4	145.7	172.6	-51	-88.5	0	0	0	110.9	Y194 G264 V265 V267	Y192-Y194 WeakPolarHBondContact CD1-OH 3.48Å; Y192-Y194 HydrophobicContact CG-CE2 4.27Å; Y192-G264 WeakPolarHBondContact O-CA 3.33Å; Y192-V265 HydrophobicContact CD2-CB 4.15Å; Y192-V265 HydrophobicContact CD2-CG1 4.21Å; Y192-V265 PolarHBondContact N-O 3.44Å; Y192-V265 VanDerWaalsContact N-O 3.13Å; Y192-V265 PolarHBondContact O-N 3.05Å; Y192-V267 HydrophobicContact CE2-CG2 4.12Å
193	K	96.7	Very high	90.1	Very high	38 Å²	38	53.2 Å²	53.2	17%	0.165	25%	0.249	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-133.9	132.9	172.5	-64.2	-177.5	-67.9	163.2	0	109.5	L184 M190 R214 P215 Y217 L263	L184-K193 HydrophobicContact CD1-CD 3.89Å; L184-K193 HydrophobicContact CD1-CG 4.04Å; M190-K193 HydrophobicContact CB-CD 4.22Å; M190-K193 HydrophobicContact CB-CG 3.78Å; M190-K193 HydrophobicContact CG-CG 4.36Å; K193-R214 VanDerWaalsContact CE-O 3.28Å; K193-R214 WeakPolarHBondContact CE-O 3.34Å; K193-R214 PolarHBondContact NZ-O 2.92Å; K193-P215 WeakPolarHBondContact CE-O 3.32Å; K193-Y217 WeakPolarHBondContact O-CB 3.37Å; K193-Y217 PolarHBondContact O-N 2.93Å; K193-L263 CarbonylContact C-O 3.53Å; K193-L263 VanDerWaalsContact CA-O 3.3Å; K193-L263 WeakPolarHBondContact CA-O 3.21Å
194	Y	97.4	Very high	90.3	Very high	0 Å²	0	57.2 Å²	57.2	0%	0	26%	0.263	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-130.9	138.8	-179.6	-56.3	-87.4	0	0	0	111.5	Y192 L196 Y217 F222 M225 H226 L262 L263 V265	Y192-Y194 WeakPolarHBondContact CD1-OH 3.48Å; Y192-Y194 HydrophobicContact CG-CE2 4.27Å; Y194-L196 HydrophobicContact CG-CD2 4.44Å; Y194-Y217 CarbonylContact C-O 3.42Å; Y194-Y217 VanDerWaalsContact CA-O 3.32Å; Y194-Y217 WeakPolarHBondContact CA-O 2.85Å; Y194-Y217 HydrophobicContact CD1-CG 4.41Å; Y194-Y217 VanDerWaalsContact CE1-CB 3.44Å; Y194-Y217 HydrophobicContact CE1-CD2 4.02Å; Y194-Y217 HydrophobicContact CE1-CG 4.07Å; Y194-F222 HydrophobicContact CD1-CB 3.68Å; Y194-F222 AromaticContact CD1-CD2 3.87Å; Y194-F222 HydrophobicContact CD1-CD2 3.87Å; Y194-F222 HydrophobicContact CD1-CG 4.29Å; Y194-F222 AromaticContact CD2-CD2 3.83Å; Y194-F222 HydrophobicContact CD2-CD2 3.83Å; Y194-F222 HydrophobicContact CD2-CE2 4.41Å; Y194-F222 HydrophobicContact CE1-CB 3.8Å; Y194-F222 AromaticContact CE1-CD2 3.93Å; Y194-F222 HydrophobicContact CE1-CD2 3.93Å; Y194-F222 HydrophobicContact CE1-CG 4.35Å; Y194-F222 AromaticContact CE2-CD2 3.84Å; Y194-F222 HydrophobicContact CE2-CD2 3.84Å; Y194-F222 HydrophobicContact CE2-CE2 4.35Å; Y194-F222 HydrophobicContact CG-CB 4.4Å; Y194-F222 AromaticContact CG-CD2 3.86Å; Y194-F222 HydrophobicContact CG-CD2 3.86Å; Y194-F222 AromaticContact CZ-CD2 3.93Å; Y194-M225 HydrophobicContact CE1-SD 4.35Å; Y194-H226 AromaticContact CE2-CD2 3.86Å; Y194-H226 AromaticContact CE2-NE2 3.78Å; Y194-H226 AromaticContact CZ-CD2 3.62Å; Y194-H226 AromaticContact CZ-NE2 3.72Å; Y194-H226 PolarHBondContact OH-CD2 2.68Å; Y194-H226 PolarHBondContact OH-NE2 3.35Å; Y194-L262 WeakPolarHBondContact O-CA 3.39Å; Y194-L263 HydrophobicContact CD2-CD2 4.15Å; Y194-L263 HydrophobicContact CD2-CG 4.48Å; Y194-L263 PolarHBondContact N-O 3.49Å; Y194-L263 PolarHBondContact O-N 2.93Å; Y194-V265 HydrophobicContact CE2-CG2 4.27Å
195	D	96.6	Very high	90.5	Very high	31 Å²	31	56.4 Å²	56.4	17%	0.166	26%	0.26	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-102.7	113.9	161.8	174.4	-55.3	0	0	0	106.2	R203 T216 Y217 K218 S260	D195-R203 VanDerWaalsContact C-NH2 3.32Å; D195-R203 PolarHBondContact O-NH2 2.87Å; D195-R203 IonicContact OD1-CZ 3.05Å; D195-R203 IonicContact OD1-NH1 3.31Å; D195-R203 PolarHBondContact OD1-NH1 3.05Å; D195-R203 VanDerWaalsContact OD1-NH1 3.15Å; D195-R203 IonicContact OD1-NH2 2.67Å; D195-R203 PolarHBondContact OD1-NH2 2.63Å; D195-T216 HydrophobicContact CB-CG2 4.23Å; D195-Y217 PolarHBondContact N-O 3.36Å; D195-K218 WeakPolarHBondContact O-CA 3.4Å; D195-S260 VanDerWaalsContact CG-OG 3.22Å; D195-S260 VanDerWaalsContact OD1-CB 3.31Å; D195-S260 WeakPolarHBondContact OD1-CB 3.06Å; D195-S260 PolarHBondContact OD1-OG 2.66Å; D195-S260 PolarHBondContact OD2-OG 2.7Å
196	L	97.7	Very high	91.1	Very high	0 Å²	0	59.6 Å²	59.6	0%	0	28%	0.282	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-120.1	131.2	-172.2	-57	177.1	0	0	0	111.3	Y194 D219 F222 S260 L261 L263 F377 M378 V382	Y194-L196 HydrophobicContact CG-CD2 4.44Å; L196-D219 HydrophobicContact CD2-CB 4.5Å; L196-F222 HydrophobicContact CD1-CD2 4.33Å; L196-F222 HydrophobicContact CD2-CB 3.91Å; L196-F222 HydrophobicContact CD2-CG 4.31Å; L196-S260 CarbonylContact O-C 3.51Å; L196-S260 VanDerWaalsContact O-CA 3.28Å; L196-S260 WeakPolarHBondContact O-CA 3.49Å; L196-L261 HydrophobicContact CB-CB 4.45Å; L196-L261 PolarHBondContact N-O 3.14Å; L196-L261 PolarHBondContact O-N 3.41Å; L196-L263 HydrophobicContact CD1-CB 4.4Å; L196-L263 HydrophobicContact CD1-CD2 3.88Å; L196-F377 HydrophobicContact CB-CE1 4.32Å; L196-F377 HydrophobicContact CD2-CE1 4.26Å; L196-M378 HydrophobicContact CB-CE 3.7Å; L196-M378 HydrophobicContact CB-SD 4.37Å; L196-M378 HydrophobicContact CD1-SD 4.45Å; L196-V382 HydrophobicContact CD1-CG1 3.88Å; L196-V382 HydrophobicContact CD1-CG2 3.87Å
197	K	95.8	Very high	91.6	Very high	37 Å²	37	62.7 Å²	62.7	16%	0.161	29%	0.294	C	S	.	.			trans	-123.8	-7.5	-177.2	-72.6	-168.2	172.1	-164.3	0	114.3	S199 D219 D258 S260 R373	K197-S199 VanDerWaalsContact C-N 3.28Å; K197-S199 PolarHBondContact O-N 3.14Å; K197-D219 PolarHBondContact N-OD1 3.03Å; K197-D219 PolarHBondContact N-OD2 3.37Å; K197-D258 WeakPolarHBondContact CE-O 3.44Å; K197-D258 PolarHBondContact NZ-O 2.92Å; K197-S260 WeakPolarHBondContact CE-OG 3.33Å; K197-S260 WeakPolarHBondContact CG-OG 3.34Å; K197-R373 PolarHBondContact O-NH2 3.12Å
198	G	93.1	Very high	92.1	Very high	11 Å²	11	67.6 Å²	67.6	11%	0.113	31%	0.308	C	S	.	.	S	Bend	trans	67.6	23.2	-170.1	0	0	0	0	0	114.3	D219 R373 F377	G198-D219 WeakPolarHBondContact CA-OD1 3.39Å; G198-D219 PolarHBondContact N-OD1 3.48Å; G198-R373 WeakPolarHBondContact O-CD 3.48Å; G198-R373 VanDerWaalsContact O-CG 3.24Å; G198-R373 WeakPolarHBondContact O-CG 3.31Å; G198-R373 PolarHBondContact O-NE 3.05Å; G198-F377 VanDerWaalsContact CA-CB 3.43Å; G198-F377 VanDerWaalsContact CA-CG 3.43Å
199	S	89.4	Confident	92.5	Very high	27 Å²	27	69 Å²	69	19%	0.189	31%	0.314	C	S	.	.			trans	-117.7	167.3	175.8	64.8	0	0	0	0	111.4	K197 R203 D219	K197-S199 VanDerWaalsContact C-N 3.28Å; K197-S199 PolarHBondContact O-N 3.14Å; S199-R203 WeakPolarHBondContact O-CB 3.27Å; S199-R203 WeakPolarHBondContact O-CG 3.29Å; S199-R203 WeakPolarHBondContact OG-CG 3.43Å; S199-D219 PolarHBondContact N-OD1 2.97Å; S199-D219 WeakPolarHBondContact O-CB 3.45Å
200	T	84.1	Confident	92.7	Very high	98 Å²	98	68.8 Å²	68.8	60%	0.601	31%	0.31	S	S	*	.			trans	-113.3	-32.8	-175.4	51.9	0	0	0	0	113.1	K202 R203 L220	T200-K202 PolarHBondContact O-N 2.87Å; T200-R203 PolarHBondContact O-N 3.38Å; T200-L220 HydrophobicContact CG2-CD2 4.17Å
201	Y	82.1	Confident	92.7	Very high	181 Å²	181	74.3 Å²	74.3	71%	0.71	34%	0.336	S	S	*	.	T	Hydrogen-bonded Turn	trans	-66.9	120.3	-176.6	-175.8	-103.2	0	0	0	112.9	R203	Y201-R203 WeakPolarHBondContact O-CG 3.34Å; Y201-R203 PolarHBondContact O-N 3.49Å
202	K	86.8	Confident	92.5	Very high	154 Å²	154	74.5 Å²	74.5	67%	0.67	34%	0.336	S	S	*	.	T	Hydrogen-bonded Turn	trans	53.8	29	-176	-66.7	-177	174.8	175.3	0	113.8	T200 R204 K218	T200-K202 PolarHBondContact O-N 2.87Å; K202-R204 VanDerWaalsContact C-N 3.3Å; K202-R204 PolarHBondContact O-N 3Å; K202-K218 PolarHBondContact O-NZ 3.17Å
203	R	92.2	Very high	92.2	Very high	19 Å²	19	75.7 Å²	75.7	7%	0.072	36%	0.363	C	S	.	.			trans	-97.9	43.2	178.2	-60.2	-53.6	-62.2	174.8	-2.6	112.8	D195 S199 T200 Y201 K218 D219 L220	D195-R203 VanDerWaalsContact C-NH2 3.32Å; D195-R203 PolarHBondContact O-NH2 2.87Å; D195-R203 IonicContact OD1-CZ 3.05Å; D195-R203 IonicContact OD1-NH1 3.31Å; D195-R203 PolarHBondContact OD1-NH1 3.05Å; D195-R203 VanDerWaalsContact OD1-NH1 3.15Å; D195-R203 IonicContact OD1-NH2 2.67Å; D195-R203 PolarHBondContact OD1-NH2 2.63Å; S199-R203 WeakPolarHBondContact O-CB 3.27Å; S199-R203 WeakPolarHBondContact O-CG 3.29Å; S199-R203 WeakPolarHBondContact OG-CG 3.43Å; T200-R203 PolarHBondContact O-N 3.38Å; Y201-R203 WeakPolarHBondContact O-CG 3.34Å; Y201-R203 PolarHBondContact O-N 3.49Å; R203-K218 HydrophobicContact CB-CB 4.4Å; R203-K218 WeakPolarHBondContact O-CB 3.31Å; R203-D219 HydrophobicContact CB-CB 3.91Å; R203-D219 IonicContact CZ-OD2 2.68Å; R203-D219 IonicContact NE-OD2 2.66Å; R203-D219 PolarHBondContact NE-OD2 2.81Å; R203-D219 IonicContact NH2-OD2 3.56Å; R203-D219 PolarHBondContact NH2-OD2 3.34Å; R203-D219 PolarHBondContact O-N 2.82Å; R203-L220 HydrophobicContact CB-CG 4.42Å; R203-L220 WeakPolarHBondContact O-CB 3.35Å; R203-L220 WeakPolarHBondContact O-CG 3.33Å; R203-L220 PolarHBondContact O-N 2.88Å
204	R	95	Very high	91.7	Very high	96 Å²	96	80 Å²	80	36%	0.362	38%	0.378	S	S	.	.	S	Bend	trans	-124.1	142.9	168.4	-160.9	171.5	-73.7	-76.2	12.5	109.4	K202 L220 D221 D224	K202-R204 VanDerWaalsContact C-N 3.3Å; K202-R204 PolarHBondContact O-N 3Å; R204-L220 HydrophobicContact CB-CD1 4.42Å; R204-D221 WeakPolarHBondContact CA-OD2 3.39Å; R204-D221 WeakPolarHBondContact CG-OD1 3.22Å; R204-D221 IonicContact NH1-OD1 3.69Å; R204-D221 PolarHBondContact NH1-OD1 2.83Å; R204-D224 IonicContact CZ-OD2 3.72Å; R204-D224 IonicContact NH1-OD2 3.5Å; R204-D224 PolarHBondContact NH1-OD2 2.72Å; R204-D224 IonicContact NH2-OD1 2.75Å; R204-D224 IonicContact NH2-OD2 2.77Å; R204-D224 PolarHBondContact NH2-OD2 2.66Å
205	A	94.2	Very high	91.5	Very high	9 Å²	9	80.9 Å²	80.9	7%	0.074	38%	0.384	C	S	.	.			trans	-59.5	139	174	0	0	0	0	0	110	E209 R210 Y217 D221	A205-E209 HydrophobicContact CB-CB 4.41Å; A205-E209 HydrophobicContact CB-CG 4.38Å; A205-R210 HydrophobicContact CB-CG 3.86Å; A205-Y217 HydrophobicContact CB-CD1 4.02Å; A205-D221 WeakPolarHBondContact CB-OD2 3.47Å; A205-D221 PolarHBondContact N-OD2 2.64Å
206	S	93	Very high	91.4	Very high	67 Å²	67	81.1 Å²	81.1	47%	0.469	39%	0.386	S	S	.	.			trans	-69.7	159.2	175.8	68.6	0	0	0	0	110.2	K208 E209 R210	S206-K208 VanDerWaalsContact C-N 3.27Å; S206-K208 PolarHBondContact O-N 3.09Å; S206-E209 PolarHBondContact O-N 3.44Å; S206-E209 WeakPolarHBondContact OG-CB 3.38Å; S206-E209 PolarHBondContact OG-N 3.05Å; S206-R210 WeakPolarHBondContact O-CG 3.4Å; S206-R210 PolarHBondContact O-N 3.26Å
207	R	93.4	Very high	91.3	Very high	204 Å²	204	83.4 Å²	83.4	77%	0.77	40%	0.395	S	S	*	.	H	α-helix	trans	-52.2	-47.3	174.1	-178.3	178.5	172.1	170.1	4.8	111.8	E209 R210 E211	R207-E209 VanDerWaalsContact C-N 3.31Å; R207-E209 PolarHBondContact O-N 3.41Å; R207-R210 PolarHBondContact O-N 3.43Å; R207-E211 WeakPolarHBondContact CG-OE1 3.29Å; R207-E211 IonicContact NE-OE1 3.87Å; R207-E211 PolarHBondContact NE-OE1 2.68Å; R207-E211 WeakPolarHBondContact O-CG 3.41Å; R207-E211 PolarHBondContact O-N 2.86Å; R207-E211 VanDerWaalsContact O-N 3.13Å
208	K	91.4	Very high	91.4	Very high	161 Å²	161	84.6 Å²	84.6	70%	0.7	40%	0.4	S	S	*	.	H	α-helix	trans	-59.9	-36.9	176.8	-175	178.7	-179.6	178.9	0	113.3	S206	S206-K208 VanDerWaalsContact C-N 3.27Å; S206-K208 PolarHBondContact O-N 3.09Å
209	E	92.4	Very high	91.5	Very high	32 Å²	32	84 Å²	84	15%	0.15	40%	0.395	C	S	.	.	H	α-helix	trans	-69.9	-40.8	177.2	-175.4	62	-157.9	0	0	111.2	A205 S206 R207 E211 K212 P215 T216	A205-E209 HydrophobicContact CB-CB 4.41Å; A205-E209 HydrophobicContact CB-CG 4.38Å; S206-E209 PolarHBondContact O-N 3.44Å; S206-E209 WeakPolarHBondContact OG-CB 3.38Å; S206-E209 PolarHBondContact OG-N 3.05Å; R207-E209 VanDerWaalsContact C-N 3.31Å; R207-E209 PolarHBondContact O-N 3.41Å; E209-E211 VanDerWaalsContact C-N 3.25Å; E209-E211 PolarHBondContact O-N 3.49Å; E209-K212 WeakPolarHBondContact O-CB 3.1Å; E209-K212 PolarHBondContact O-N 2.82Å; E209-K212 VanDerWaalsContact O-N 3.16Å; E209-K212 IonicContact OE1-NZ 3.87Å; E209-K212 WeakPolarHBondContact OE2-CD 3.2Å; E209-K212 WeakPolarHBondContact OE2-CE 3.28Å; E209-K212 IonicContact OE2-NZ 3.8Å; E209-K212 PolarHBondContact OE2-NZ 3.45Å; E209-P215 WeakPolarHBondContact O-CB 3.35Å; E209-T216 WeakPolarHBondContact CG-O 3.41Å; E209-T216 WeakPolarHBondContact OE1-CB 3.3Å; E209-T216 PolarHBondContact OE1-N 3.49Å; E209-T216 PolarHBondContact OE1-OG1 3.35Å
210	R	93.6	Very high	91.9	Very high	114 Å²	114	84.7 Å²	84.7	43%	0.43	40%	0.396	S	S	.	.	H	α-helix	trans	-65.7	-25.2	178.4	-69.9	179.7	165.4	-154	-3.6	113.6	A205 S206 R207 K212 Y217 D221	A205-R210 HydrophobicContact CB-CG 3.86Å; S206-R210 WeakPolarHBondContact O-CG 3.4Å; S206-R210 PolarHBondContact O-N 3.26Å; R207-R210 PolarHBondContact O-N 3.43Å; R210-K212 VanDerWaalsContact C-N 3.27Å; R210-K212 PolarHBondContact O-N 2.9Å; R210-Y217 HydrophobicContact CG-CE1 4.27Å; R210-D221 IonicContact CZ-OD1 3.7Å; R210-D221 IonicContact NE-OD1 3.23Å; R210-D221 IonicContact NH2-OD1 2.67Å; R210-D221 PolarHBondContact NH2-OD1 2.83Å
211	E	93.2	Very high	92.5	Very high	131 Å²	131	80 Å²	80	61%	0.612	37%	0.367	S	S	*	.	T	Hydrogen-bonded Turn	trans	-76	-11.9	176	-72.1	165.1	-176.8	0	0	113	R207 E209	R207-E211 WeakPolarHBondContact CG-OE1 3.29Å; R207-E211 IonicContact NE-OE1 3.87Å; R207-E211 PolarHBondContact NE-OE1 2.68Å; R207-E211 WeakPolarHBondContact O-CG 3.41Å; R207-E211 PolarHBondContact O-N 2.86Å; R207-E211 VanDerWaalsContact O-N 3.13Å; E209-E211 VanDerWaalsContact C-N 3.25Å; E209-E211 PolarHBondContact O-N 3.49Å
212	K	89.9	Confident	93.2	Very high	72 Å²	72	71.4 Å²	71.4	31%	0.313	33%	0.334	S	S	.	.	S	Bend	trans	-71.3	148.7	175.8	-63.9	-178.9	179.1	173.4	0	110.7	N111 E209 R210 R214 P215	N111-K212 PolarHBondContact OD1-NZ 3.19Å; E209-K212 WeakPolarHBondContact O-CB 3.1Å; E209-K212 PolarHBondContact O-N 2.82Å; E209-K212 VanDerWaalsContact O-N 3.16Å; E209-K212 IonicContact OE1-NZ 3.87Å; E209-K212 WeakPolarHBondContact OE2-CD 3.2Å; E209-K212 WeakPolarHBondContact OE2-CE 3.28Å; E209-K212 IonicContact OE2-NZ 3.8Å; E209-K212 PolarHBondContact OE2-NZ 3.45Å; R210-K212 VanDerWaalsContact C-N 3.27Å; R210-K212 PolarHBondContact O-N 2.9Å; K212-R214 PolarHBondContact O-N 3.49Å; K212-R214 VanDerWaalsContact O-N 3.16Å; K212-P215 WeakPolarHBondContact O-CD 3.24Å
213	A	88	Confident	93.6	Very high	108 Å²	108	66.8 Å²	66.8	89%	0.893	32%	0.315	S	S	*	.	S	Bend	trans	-59	-28	175.2	0	0	0	0	0	114
214	R	86.4	Confident	93.8	Very high	128 Å²	128	71 Å²	71	48%	0.483	34%	0.338	S	S	.	.	S	Bend	trans	-134	77.3	177.7	-66.2	-175.1	178	-175.8	-1.7	109.3	K193 K212	K193-R214 VanDerWaalsContact CE-O 3.28Å; K193-R214 WeakPolarHBondContact CE-O 3.34Å; K193-R214 PolarHBondContact NZ-O 2.92Å; K212-R214 PolarHBondContact O-N 3.49Å; K212-R214 VanDerWaalsContact O-N 3.16Å
215	P	92.7	Very high	93.8	Very high	18 Å²	18	69.8 Å²	69.8	12%	0.117	34%	0.338	C	S	.	.			trans	-67.3	154	-175	29.3	-34.4	0	0	0	111.5	K193 E209 K212 Y217	K193-P215 WeakPolarHBondContact CE-O 3.32Å; E209-P215 WeakPolarHBondContact O-CB 3.35Å; K212-P215 WeakPolarHBondContact O-CD 3.24Å; P215-Y217 HydrophobicContact CB-CE1 4.18Å; P215-Y217 HydrophobicContact CB-CE2 4.37Å; P215-Y217 HydrophobicContact CG-CD2 4.46Å; P215-Y217 HydrophobicContact CG-CE1 4.04Å; P215-Y217 HydrophobicContact CG-CE2 3.64Å; P215-Y217 VanDerWaalsContact CG-OH 3.26Å; P215-Y217 WeakPolarHBondContact CG-OH 3.19Å
216	T	94.4	Very high	93.7	Very high	37 Å²	37	70.5 Å²	70.5	23%	0.227	34%	0.339	C	S	.	.			trans	-107.2	106	169.6	-43.4	0	0	0	0	108.9	D195 E209	D195-T216 HydrophobicContact CB-CG2 4.23Å; E209-T216 WeakPolarHBondContact CG-O 3.41Å; E209-T216 WeakPolarHBondContact OE1-CB 3.3Å; E209-T216 PolarHBondContact OE1-N 3.49Å; E209-T216 PolarHBondContact OE1-OG1 3.35Å
217	Y	97.1	Very high	93.7	Very high	47 Å²	47	74.5 Å²	74.5	18%	0.184	35%	0.351	C	S	.	.	B	Isolated β-bridge	trans	-79.4	168.2	-179.8	-65.4	-60.7	0	0	0	112	K193 Y194 D195 A205 R210 P215 D221 M225	K193-Y217 WeakPolarHBondContact O-CB 3.37Å; K193-Y217 PolarHBondContact O-N 2.93Å; Y194-Y217 CarbonylContact C-O 3.42Å; Y194-Y217 VanDerWaalsContact CA-O 3.32Å; Y194-Y217 WeakPolarHBondContact CA-O 2.85Å; Y194-Y217 HydrophobicContact CD1-CG 4.41Å; Y194-Y217 VanDerWaalsContact CE1-CB 3.44Å; Y194-Y217 HydrophobicContact CE1-CD2 4.02Å; Y194-Y217 HydrophobicContact CE1-CG 4.07Å; D195-Y217 PolarHBondContact N-O 3.36Å; A205-Y217 HydrophobicContact CB-CD1 4.02Å; R210-Y217 HydrophobicContact CG-CE1 4.27Å; P215-Y217 HydrophobicContact CB-CE1 4.18Å; P215-Y217 HydrophobicContact CB-CE2 4.37Å; P215-Y217 HydrophobicContact CG-CD2 4.46Å; P215-Y217 HydrophobicContact CG-CE1 4.04Å; P215-Y217 HydrophobicContact CG-CE2 3.64Å; P215-Y217 VanDerWaalsContact CG-OH 3.26Å; P215-Y217 WeakPolarHBondContact CG-OH 3.19Å; Y217-D221 HydrophobicContact CD1-CB 3.96Å; Y217-D221 HydrophobicContact CG-CB 4.12Å; Y217-M225 HydrophobicContact CD1-CE 3.72Å; Y217-M225 HydrophobicContact CD2-CE 4.31Å; Y217-M225 HydrophobicContact CD2-SD 4.2Å; Y217-M225 HydrophobicContact CE1-CE 3.66Å; Y217-M225 HydrophobicContact CE2-CE 4.26Å; Y217-M225 HydrophobicContact CE2-SD 4.17Å; Y217-M225 HydrophobicContact CG-CE 4.04Å; Y217-M225 HydrophobicContact CG-SD 4.42Å
218	K	96.9	Very high	93.7	Very high	62 Å²	62	68.8 Å²	68.8	27%	0.27	33%	0.333	S	S	.	.			trans	-125.6	-173.1	179.1	-66.1	-176.4	-174.3	168.7	0	111.7	D195 K202 R203 L220 D221 F222	D195-K218 WeakPolarHBondContact O-CA 3.4Å; K202-K218 PolarHBondContact O-NZ 3.17Å; R203-K218 HydrophobicContact CB-CB 4.4Å; R203-K218 WeakPolarHBondContact O-CB 3.31Å; K218-L220 PolarHBondContact O-N 2.88Å; K218-D221 PolarHBondContact N-OD2 3.27Å; K218-D221 WeakPolarHBondContact O-CB 3.28Å; K218-D221 PolarHBondContact O-N 3.44Å; K218-D221 VanDerWaalsContact O-N 3.11Å; K218-F222 PolarHBondContact O-N 3.31Å
219	D	96.4	Very high	94	Very high	0 Å²	0	61.3 Å²	61.3	0%	0	30%	0.301	C	S	.	.	H	α-helix	trans	-52.8	-47.7	-172.4	-51	-122.2	0	0	0	113.6	L196 K197 G198 S199 R203 F222 Q223 F377	L196-D219 HydrophobicContact CD2-CB 4.5Å; K197-D219 PolarHBondContact N-OD1 3.03Å; K197-D219 PolarHBondContact N-OD2 3.37Å; G198-D219 WeakPolarHBondContact CA-OD1 3.39Å; G198-D219 PolarHBondContact N-OD1 3.48Å; S199-D219 PolarHBondContact N-OD1 2.97Å; S199-D219 WeakPolarHBondContact O-CB 3.45Å; R203-D219 HydrophobicContact CB-CB 3.91Å; R203-D219 IonicContact CZ-OD2 2.68Å; R203-D219 IonicContact NE-OD2 2.66Å; R203-D219 PolarHBondContact NE-OD2 2.81Å; R203-D219 IonicContact NH2-OD2 3.56Å; R203-D219 PolarHBondContact NH2-OD2 3.34Å; R203-D219 PolarHBondContact O-N 2.82Å; D219-F222 WeakPolarHBondContact O-CB 3.4Å; D219-F222 PolarHBondContact O-N 2.7Å; D219-Q223 WeakPolarHBondContact O-CG 3.32Å; D219-Q223 PolarHBondContact O-N 3.41Å; D219-F377 HydrophobicContact CB-CE1 4.32Å; D219-F377 HydrophobicContact CB-CZ 3.93Å
220	L	96.1	Very high	94.2	Very high	40 Å²	40	59.8 Å²	59.8	21%	0.209	29%	0.294	C	S	.	.	H	α-helix	trans	-70.4	-34.9	-178.8	-61	178.6	0	0	0	111.8	T200 R203 R204 K218 F222 Q223 D224	T200-L220 HydrophobicContact CG2-CD2 4.17Å; R203-L220 HydrophobicContact CB-CG 4.42Å; R203-L220 WeakPolarHBondContact O-CB 3.35Å; R203-L220 WeakPolarHBondContact O-CG 3.33Å; R203-L220 PolarHBondContact O-N 2.88Å; R204-L220 HydrophobicContact CB-CD1 4.42Å; K218-L220 PolarHBondContact O-N 2.88Å; L220-F222 VanDerWaalsContact C-N 3.33Å; L220-Q223 PolarHBondContact O-N 3.18Å; L220-D224 PolarHBondContact O-N 2.82Å; L220-D224 VanDerWaalsContact O-N 3.12Å
221	D	97.5	Very high	94.3	Very high	0 Å²	0	56.6 Å²	56.6	0%	0	28%	0.283	C	S	.	.	H	α-helix	trans	-65.7	-39.9	174.5	-60.2	-57.5	0	0	0	111.1	R204 A205 R210 Y217 K218 D224 M225	R204-D221 WeakPolarHBondContact CA-OD2 3.39Å; R204-D221 WeakPolarHBondContact CG-OD1 3.22Å; R204-D221 IonicContact NH1-OD1 3.69Å; R204-D221 PolarHBondContact NH1-OD1 2.83Å; A205-D221 WeakPolarHBondContact CB-OD2 3.47Å; A205-D221 PolarHBondContact N-OD2 2.64Å; R210-D221 IonicContact CZ-OD1 3.7Å; R210-D221 IonicContact NE-OD1 3.23Å; R210-D221 IonicContact NH2-OD1 2.67Å; R210-D221 PolarHBondContact NH2-OD1 2.83Å; Y217-D221 HydrophobicContact CD1-CB 3.96Å; Y217-D221 HydrophobicContact CG-CB 4.12Å; K218-D221 PolarHBondContact N-OD2 3.27Å; K218-D221 WeakPolarHBondContact O-CB 3.28Å; K218-D221 PolarHBondContact O-N 3.44Å; K218-D221 VanDerWaalsContact O-N 3.11Å; D221-D224 PolarHBondContact O-N 2.81Å; D221-M225 HydrophobicContact CB-CE 3.7Å; D221-M225 WeakPolarHBondContact O-CB 3.25Å; D221-M225 VanDerWaalsContact O-CG 3.23Å; D221-M225 WeakPolarHBondContact O-CG 3.37Å; D221-M225 PolarHBondContact O-N 2.69Å
222	F	97.8	Very high	94.3	Very high	1 Å²	1	50.4 Å²	50.4	0%	0.004	25%	0.254	C	S	.	.	H	α-helix	trans	-61.5	-46.3	175.4	-178.1	-82.9	0	0	0	111	Y194 L196 K218 D219 L220 D224 M225 H226 L230 L263 V382	Y194-F222 HydrophobicContact CD1-CB 3.68Å; Y194-F222 AromaticContact CD1-CD2 3.87Å; Y194-F222 HydrophobicContact CD1-CD2 3.87Å; Y194-F222 HydrophobicContact CD1-CG 4.29Å; Y194-F222 AromaticContact CD2-CD2 3.83Å; Y194-F222 HydrophobicContact CD2-CD2 3.83Å; Y194-F222 HydrophobicContact CD2-CE2 4.41Å; Y194-F222 HydrophobicContact CE1-CB 3.8Å; Y194-F222 AromaticContact CE1-CD2 3.93Å; Y194-F222 HydrophobicContact CE1-CD2 3.93Å; Y194-F222 HydrophobicContact CE1-CG 4.35Å; Y194-F222 AromaticContact CE2-CD2 3.84Å; Y194-F222 HydrophobicContact CE2-CD2 3.84Å; Y194-F222 HydrophobicContact CE2-CE2 4.35Å; Y194-F222 HydrophobicContact CG-CB 4.4Å; Y194-F222 AromaticContact CG-CD2 3.86Å; Y194-F222 HydrophobicContact CG-CD2 3.86Å; Y194-F222 AromaticContact CZ-CD2 3.93Å; L196-F222 HydrophobicContact CD1-CD2 4.33Å; L196-F222 HydrophobicContact CD2-CB 3.91Å; L196-F222 HydrophobicContact CD2-CG 4.31Å; K218-F222 PolarHBondContact O-N 3.31Å; D219-F222 WeakPolarHBondContact O-CB 3.4Å; D219-F222 PolarHBondContact O-N 2.7Å; L220-F222 VanDerWaalsContact C-N 3.33Å; F222-D224 VanDerWaalsContact C-N 3.28Å; F222-D224 PolarHBondContact O-N 2.83Å; F222-M225 PolarHBondContact O-N 3.43Å; F222-H226 HydrophobicContact CD1-CB 4.36Å; F222-H226 HydrophobicContact CD2-CB 4.43Å; F222-H226 AromaticContact CD2-CD2 3.82Å; F222-H226 HydrophobicContact CE1-CB 3.93Å; F222-H226 HydrophobicContact CE2-CB 4.04Å; F222-H226 AromaticContact CE2-CD2 3.71Å; F222-H226 HydrophobicContact CZ-CB 3.77Å; F222-H226 WeakPolarHBondContact O-CA 3.17Å; F222-H226 WeakPolarHBondContact O-CB 3.34Å; F222-H226 PolarHBondContact O-N 3.15Å; F222-L230 HydrophobicContact CE2-CD1 4.17Å; F222-L230 HydrophobicContact CE2-CG 4.34Å; F222-L230 HydrophobicContact CZ-CD1 4.32Å; F222-L230 HydrophobicContact CZ-CG 4.1Å; F222-L263 HydrophobicContact CD2-CD2 4.38Å; F222-L263 HydrophobicContact CE2-CD2 3.92Å; F222-V382 HydrophobicContact CD1-CG2 4.39Å; F222-V382 HydrophobicContact CE1-CB 4.17Å; F222-V382 HydrophobicContact CE1-CG1 4.12Å; F222-V382 HydrophobicContact CE1-CG2 4.11Å; F222-V382 HydrophobicContact CE2-CG1 3.97Å; F222-V382 HydrophobicContact CZ-CB 4.14Å; F222-V382 HydrophobicContact CZ-CG1 3.62Å; F222-V382 HydrophobicContact CZ-CG2 4.44Å
223	Q	95.1	Very high	94.5	Very high	57 Å²	57	50.2 Å²	50.2	27%	0.266	26%	0.256	S	S	.	.	H	α-helix	trans	-61.5	-37.3	179.3	-69.7	-177.1	-70.1	0	0	112.4	D219 L220 E227 F377	D219-Q223 WeakPolarHBondContact O-CG 3.32Å; D219-Q223 PolarHBondContact O-N 3.41Å; L220-Q223 PolarHBondContact O-N 3.18Å; Q223-E227 VanDerWaalsContact O-CA 3.31Å; Q223-E227 WeakPolarHBondContact O-CA 3.47Å; Q223-E227 PolarHBondContact O-N 2.91Å; Q223-F377 HydrophobicContact CG-CE2 4.2Å; Q223-F377 HydrophobicContact CG-CZ 4.33Å
224	D	95.4	Very high	94.7	Very high	106 Å²	106	48 Å²	48	57%	0.567	23%	0.232	S	C	*	.	H	α-helix	trans	-73.8	-34.5	178.8	-61.2	-18.9	0	0	0	112.4	R204 L220 D221 F222	R204-D224 IonicContact CZ-OD2 3.72Å; R204-D224 IonicContact NH1-OD2 3.5Å; R204-D224 PolarHBondContact NH1-OD2 2.72Å; R204-D224 IonicContact NH2-OD1 2.75Å; R204-D224 IonicContact NH2-OD2 2.77Å; R204-D224 PolarHBondContact NH2-OD2 2.66Å; L220-D224 PolarHBondContact O-N 2.82Å; L220-D224 VanDerWaalsContact O-N 3.12Å; D221-D224 PolarHBondContact O-N 2.81Å; F222-D224 VanDerWaalsContact C-N 3.28Å; F222-D224 PolarHBondContact O-N 2.83Å
225	M	94.6	Very high	95	Very high	72 Å²	72	47.4 Å²	47.4	36%	0.355	23%	0.234	S	C	.	.	H	α-helix	trans	-91	-28	-176	-65	171.9	-150.9	0	0	113.9	Y194 Y217 D221 F222	Y194-M225 HydrophobicContact CE1-SD 4.35Å; Y217-M225 HydrophobicContact CD1-CE 3.72Å; Y217-M225 HydrophobicContact CD2-CE 4.31Å; Y217-M225 HydrophobicContact CD2-SD 4.2Å; Y217-M225 HydrophobicContact CE1-CE 3.66Å; Y217-M225 HydrophobicContact CE2-CE 4.26Å; Y217-M225 HydrophobicContact CE2-SD 4.17Å; Y217-M225 HydrophobicContact CG-CE 4.04Å; Y217-M225 HydrophobicContact CG-SD 4.42Å; D221-M225 HydrophobicContact CB-CE 3.7Å; D221-M225 WeakPolarHBondContact O-CB 3.25Å; D221-M225 VanDerWaalsContact O-CG 3.23Å; D221-M225 WeakPolarHBondContact O-CG 3.37Å; D221-M225 PolarHBondContact O-N 2.69Å; F222-M225 PolarHBondContact O-N 3.43Å
226	H	93.4	Very high	95	Very high	24 Å²	24	47.5 Å²	47.5	11%	0.111	23%	0.234	C	C	.	.			trans	-132.9	54.6	-175.6	-62	-62.7	0	0	0	110.1	Y194 F222 E228 G229	Y194-H226 AromaticContact CE2-CD2 3.86Å; Y194-H226 AromaticContact CE2-NE2 3.78Å; Y194-H226 AromaticContact CZ-CD2 3.62Å; Y194-H226 AromaticContact CZ-NE2 3.72Å; Y194-H226 PolarHBondContact OH-CD2 2.68Å; Y194-H226 PolarHBondContact OH-NE2 3.35Å; F222-H226 HydrophobicContact CD1-CB 4.36Å; F222-H226 HydrophobicContact CD2-CB 4.43Å; F222-H226 AromaticContact CD2-CD2 3.82Å; F222-H226 HydrophobicContact CE1-CB 3.93Å; F222-H226 HydrophobicContact CE2-CB 4.04Å; F222-H226 AromaticContact CE2-CD2 3.71Å; F222-H226 HydrophobicContact CZ-CB 3.77Å; F222-H226 WeakPolarHBondContact O-CA 3.17Å; F222-H226 WeakPolarHBondContact O-CB 3.34Å; F222-H226 PolarHBondContact O-N 3.15Å; H226-E228 PolarHBondContact O-N 2.8Å; H226-G229 WeakPolarHBondContact O-CA 3.4Å; H226-G229 PolarHBondContact O-N 2.9Å
227	E	92.4	Very high	95	Very high	151 Å²	151	47.5 Å²	47.5	71%	0.706	23%	0.231	S	C	*	.	T	Hydrogen-bonded Turn	trans	-51.6	-41.6	-177.8	-175.7	172.8	-166.8	0	0	112.9	Q223 G229	Q223-E227 VanDerWaalsContact O-CA 3.31Å; Q223-E227 WeakPolarHBondContact O-CA 3.47Å; Q223-E227 PolarHBondContact O-N 2.91Å; E227-G229 VanDerWaalsContact C-N 3.3Å; E227-G229 PolarHBondContact O-N 3Å
228	E	94	Very high	94.9	Very high	83 Å²	83	49 Å²	49	39%	0.388	24%	0.241	S	C	.	.	T	Hydrogen-bonded Turn	trans	-78.3	-11	178.8	-64.2	-59.9	152.7	0	0	114	H226 Y231 H324 R384	H226-E228 PolarHBondContact O-N 2.8Å; E228-Y231 HydrophobicContact CB-CE2 4.24Å; E228-Y231 WeakPolarHBondContact O-CE2 3.44Å; E228-Y231 PolarHBondContact O-OH 2.67Å; E228-H324 HydrophobicContact CB-CB 3.74Å; E228-H324 HydrophobicContact CG-CB 3.98Å; E228-R384 VanDerWaalsContact O-CG 3.31Å; E228-R384 WeakPolarHBondContact O-CG 3.38Å
229	G	95.9	Very high	94.7	Very high	4 Å²	4	47.6 Å²	47.6	4%	0.041	24%	0.237	C	C	.	.			trans	76.3	-173.2	-175.3	0	0	0	0	0	114.5	H226 E227 R381	H226-G229 WeakPolarHBondContact O-CA 3.4Å; H226-G229 PolarHBondContact O-N 2.9Å; E227-G229 VanDerWaalsContact C-N 3.3Å; E227-G229 PolarHBondContact O-N 3Å; G229-R381 WeakPolarHBondContact CA-O 3.42Å
230	L	96.8	Very high	94.6	Very high	0 Å²	0	47.6 Å²	47.6	0%	0	24%	0.237	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-107.1	124.7	-179.2	-55.5	176.1	0	0	0	109.7	F222 F232 L263 V265 L329 I331 V382 F383 R384	F222-L230 HydrophobicContact CE2-CD1 4.17Å; F222-L230 HydrophobicContact CE2-CG 4.34Å; F222-L230 HydrophobicContact CZ-CD1 4.32Å; F222-L230 HydrophobicContact CZ-CG 4.1Å; L230-F232 HydrophobicContact CB-CE2 4Å; L230-F232 WeakPolarHBondContact O-CD2 3.47Å; L230-F232 WeakPolarHBondContact O-CE2 3.42Å; L230-L263 HydrophobicContact CD1-CD2 4Å; L230-V265 HydrophobicContact CD1-CG2 4.2Å; L230-L329 HydrophobicContact CD2-CD1 3.71Å; L230-I331 HydrophobicContact CD1-CD1 3.91Å; L230-V382 PolarHBondContact N-O 2.71Å; L230-F383 HydrophobicContact CD1-CE1 4.46Å; L230-F383 CarbonylContact O-C 3.6Å; L230-F383 WeakPolarHBondContact O-CA 3.45Å; L230-R384 PolarHBondContact O-N 3.34Å
231	Y	96.1	Very high	94.6	Very high	48 Å²	48	46.3 Å²	46.3	19%	0.188	23%	0.23	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-97	131.4	-172.6	-71.8	-99.1	0	0	0	111.8	E228 A321 K322 H324 R384 N386	E228-Y231 HydrophobicContact CB-CE2 4.24Å; E228-Y231 WeakPolarHBondContact O-CE2 3.44Å; E228-Y231 PolarHBondContact O-OH 2.67Å; Y231-A321 CarbonylContact O-C 3.5Å; Y231-A321 VanDerWaalsContact O-CA 3.3Å; Y231-A321 WeakPolarHBondContact O-CA 3.45Å; Y231-A321 WeakPolarHBondContact O-CB 3.12Å; Y231-K322 WeakPolarHBondContact CB-O 3.36Å; Y231-K322 PolarHBondContact N-O 3.37Å; Y231-K322 PolarHBondContact O-N 3.4Å; Y231-H324 HydrophobicContact CE2-CB 3.91Å; Y231-R384 WeakPolarHBondContact CA-O 3.45Å; Y231-R384 HydrophobicContact CD1-CB 3.56Å; Y231-R384 HydrophobicContact CD2-CB 4.24Å; Y231-R384 HydrophobicContact CE1-CB 3.58Å; Y231-R384 HydrophobicContact CE1-CG 4.17Å; Y231-R384 HydrophobicContact CE2-CB 4.25Å; Y231-R384 HydrophobicContact CE2-CG 4.25Å; Y231-R384 HydrophobicContact CG-CB 3.9Å; Y231-N386 WeakPolarHBondContact CB-OD1 3.17Å
232	F	94.2	Very high	94.5	Very high	1 Å²	1	52.4 Å²	52.4	0%	0.004	26%	0.257	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-117.5	158	174.8	-60	-97.2	0	0	0	109.5	L230 T236 L240 I319 P320 A321 I331 F383 R384 N386	L230-F232 HydrophobicContact CB-CE2 4Å; L230-F232 WeakPolarHBondContact O-CD2 3.47Å; L230-F232 WeakPolarHBondContact O-CE2 3.42Å; F232-T236 HydrophobicContact CB-CG2 4.03Å; F232-T236 HydrophobicContact CD1-CG2 3.54Å; F232-T236 HydrophobicContact CE1-CG2 4.43Å; F232-T236 HydrophobicContact CG-CG2 4.15Å; F232-L240 HydrophobicContact CZ-CD2 4.37Å; F232-I319 HydrophobicContact CD1-CG2 3.83Å; F232-I319 HydrophobicContact CE1-CB 4.33Å; F232-I319 HydrophobicContact CE1-CG2 3.63Å; F232-P320 WeakPolarHBondContact CD1-O 3.48Å; F232-A321 HydrophobicContact CD1-CB 3.84Å; F232-A321 HydrophobicContact CE1-CB 3.57Å; F232-A321 HydrophobicContact CE2-CB 4.27Å; F232-A321 HydrophobicContact CG-CB 4.37Å; F232-A321 HydrophobicContact CZ-CB 3.8Å; F232-I331 HydrophobicContact CE1-CB 4.36Å; F232-I331 HydrophobicContact CE1-CG1 4.07Å; F232-I331 HydrophobicContact CZ-CB 4.36Å; F232-I331 HydrophobicContact CZ-CG1 3.91Å; F232-I331 HydrophobicContact CZ-CG2 4.36Å; F232-F383 HydrophobicContact CD2-CB 4.3Å; F232-F383 HydrophobicContact CD2-CD1 4.42Å; F232-F383 HydrophobicContact CE2-CB 4.05Å; F232-F383 AromaticContact CE2-CD1 3.4Å; F232-F383 HydrophobicContact CE2-CD1 3.4Å; F232-F383 VanDerWaalsContact CE2-CD1 3.4Å; F232-F383 HydrophobicContact CE2-CE1 4.11Å; F232-F383 AromaticContact CE2-CG 3.99Å; F232-F383 HydrophobicContact CE2-CG 3.99Å; F232-F383 AromaticContact CZ-CD1 3.86Å; F232-F383 HydrophobicContact CZ-CD1 3.86Å; F232-F383 HydrophobicContact CZ-CE1 4.1Å; F232-R384 PolarHBondContact N-O 3.16Å; F232-N386 WeakPolarHBondContact O-CB 3.49Å; F232-N386 PolarHBondContact O-N 3.35Å; F232-N386 PolarHBondContact O-ND2 3.44Å
233	D	93.4	Very high	94.3	Very high	67 Å²	67	52.8 Å²	52.8	36%	0.358	26%	0.259	S	S	.	.			trans	-61.6	163.5	164.5	72	83.7	0	0	0	110.9	E235 T236 Y237	D233-E235 VanDerWaalsContact C-N 3.32Å; D233-E235 PolarHBondContact O-N 3.18Å; D233-E235 WeakPolarHBondContact OD1-CB 3.38Å; D233-E235 PolarHBondContact OD1-N 3.35Å; D233-T236 PolarHBondContact OD1-N 2.8Å; D233-T236 PolarHBondContact OD1-OG1 2.75Å; D233-T236 WeakPolarHBondContact OD2-CB 3.48Å; D233-T236 PolarHBondContact OD2-OG1 3.31Å; D233-Y237 VanDerWaalsContact O-CB 3.29Å; D233-Y237 WeakPolarHBondContact O-CB 3.41Å; D233-Y237 PolarHBondContact O-N 3.01Å
234	T	93.4	Very high	94.4	Very high	63 Å²	63	50 Å²	50	39%	0.387	25%	0.246	S	C	.	.	H	α-helix	trans	-58.5	-42.5	-174.3	-68.6	0	0	0	0	113	N238 K385	T234-N238 WeakPolarHBondContact O-CB 3.46Å; T234-N238 PolarHBondContact O-N 3.18Å; T234-N238 VanDerWaalsContact O-N 3.11Å; T234-N238 PolarHBondContact O-ND2 3.05Å; T234-K385 VanDerWaalsContact CG2-NZ 3.35Å; T234-K385 WeakPolarHBondContact OG1-CE 3.3Å
235	E	91.9	Very high	94.5	Very high	115 Å²	115	49.6 Å²	49.6	54%	0.537	24%	0.241	S	C	.	.	H	α-helix	trans	-72.8	-49.9	-174.1	-174.2	-179.8	169.1	0	0	110.1	D233 Y237 N238 N239	D233-E235 VanDerWaalsContact C-N 3.32Å; D233-E235 PolarHBondContact O-N 3.18Å; D233-E235 WeakPolarHBondContact OD1-CB 3.38Å; D233-E235 PolarHBondContact OD1-N 3.35Å; E235-Y237 VanDerWaalsContact C-N 3.33Å; E235-Y237 PolarHBondContact O-N 3.32Å; E235-N238 PolarHBondContact O-N 3.23Å; E235-N238 VanDerWaalsContact O-N 3.17Å; E235-N239 WeakPolarHBondContact O-CB 3.09Å; E235-N239 PolarHBondContact O-N 3.05Å
236	T	91.8	Very high	94.6	Very high	19 Å²	19	50.1 Å²	50.1	12%	0.117	24%	0.239	C	C	.	.	H	α-helix	trans	-56.2	-46.4	176	-65.3	0	0	0	0	111.7	F232 D233 N238 N239 L240 I300 I319	F232-T236 HydrophobicContact CB-CG2 4.03Å; F232-T236 HydrophobicContact CD1-CG2 3.54Å; F232-T236 HydrophobicContact CE1-CG2 4.43Å; F232-T236 HydrophobicContact CG-CG2 4.15Å; D233-T236 PolarHBondContact OD1-N 2.8Å; D233-T236 PolarHBondContact OD1-OG1 2.75Å; D233-T236 WeakPolarHBondContact OD2-CB 3.48Å; D233-T236 PolarHBondContact OD2-OG1 3.31Å; T236-N238 PolarHBondContact O-N 2.77Å; T236-N239 PolarHBondContact O-N 2.68Å; T236-L240 VanDerWaalsContact O-CB 3.28Å; T236-L240 WeakPolarHBondContact O-CB 3.33Å; T236-L240 PolarHBondContact O-N 3.2Å; T236-I300 HydrophobicContact CG2-CD1 4.17Å; T236-I300 HydrophobicContact CG2-CG2 3.93Å; T236-I319 HydrophobicContact CG2-CG2 3.44Å; T236-I319 VanDerWaalsContact CG2-CG2 3.44Å
237	Y	95.3	Very high	94.8	Very high	38 Å²	38	49 Å²	49	15%	0.149	23%	0.233	C	C	.	.	H	α-helix	trans	-58.7	-48.7	176.8	178.6	-93.8	0	0	0	111.8	D233 E235 N239 L240 M241 S379 F383 K385	D233-Y237 VanDerWaalsContact O-CB 3.29Å; D233-Y237 WeakPolarHBondContact O-CB 3.41Å; D233-Y237 PolarHBondContact O-N 3.01Å; E235-Y237 VanDerWaalsContact C-N 3.33Å; E235-Y237 PolarHBondContact O-N 3.32Å; Y237-N239 PolarHBondContact O-N 3.06Å; Y237-L240 PolarHBondContact O-N 3.4Å; Y237-M241 HydrophobicContact CD1-CG 4.22Å; Y237-M241 HydrophobicContact CD2-CG 4.33Å; Y237-M241 HydrophobicContact CE1-CG 3.8Å; Y237-M241 HydrophobicContact CE2-CG 3.92Å; Y237-M241 HydrophobicContact CE2-SD 4.46Å; Y237-M241 HydrophobicContact CG-CG 4.48Å; Y237-M241 WeakPolarHBondContact O-CB 3.2Å; Y237-M241 WeakPolarHBondContact O-CG 3.49Å; Y237-M241 PolarHBondContact O-N 2.9Å; Y237-S379 PolarHBondContact OH-O 3.06Å; Y237-S379 VanDerWaalsContact OH-O 3.13Å; Y237-F383 HydrophobicContact CD2-CB 4.24Å; Y237-F383 HydrophobicContact CE2-CB 3.97Å; Y237-F383 WeakPolarHBondContact CE2-O 3.27Å; Y237-K385 HydrophobicContact CD1-CB 4.14Å; Y237-K385 HydrophobicContact CD1-CD 4.47Å; Y237-K385 HydrophobicContact CD2-CB 4.44Å; Y237-K385 HydrophobicContact CE1-CB 4.47Å; Y237-K385 HydrophobicContact CG-CB 4.12Å
238	N	94.5	Very high	95	Very high	77 Å²	77	41.9 Å²	41.9	41%	0.412	20%	0.2	S	C	.	.	H	α-helix	trans	-63.2	-42.7	-178.6	-72.8	-17.4	0	0	0	111.4	T234 E235 T236 M241 K242	T234-N238 WeakPolarHBondContact O-CB 3.46Å; T234-N238 PolarHBondContact O-N 3.18Å; T234-N238 VanDerWaalsContact O-N 3.11Å; T234-N238 PolarHBondContact O-ND2 3.05Å; E235-N238 PolarHBondContact O-N 3.23Å; E235-N238 VanDerWaalsContact O-N 3.17Å; T236-N238 PolarHBondContact O-N 2.77Å; N238-M241 PolarHBondContact O-N 3.43Å; N238-K242 WeakPolarHBondContact O-CB 3.25Å; N238-K242 PolarHBondContact O-N 2.82Å
239	N	92.7	Very high	95.1	Very high	33 Å²	33	45.6 Å²	45.6	18%	0.176	21%	0.211	C	C	.	.	H	α-helix	trans	-66.8	-43.8	178.8	-70.7	-14.8	0	0	0	111.7	E235 T236 Y237 K242 T243 I300	E235-N239 WeakPolarHBondContact O-CB 3.09Å; E235-N239 PolarHBondContact O-N 3.05Å; T236-N239 PolarHBondContact O-N 2.68Å; Y237-N239 PolarHBondContact O-N 3.06Å; N239-K242 PolarHBondContact O-N 2.88Å; N239-T243 WeakPolarHBondContact O-CB 3.16Å; N239-T243 PolarHBondContact O-N 3.1Å; N239-T243 PolarHBondContact O-OG1 2.94Å; N239-I300 HydrophobicContact CB-CG2 4.1Å; N239-I300 PolarHBondContact ND2-O 2.96Å
240	L	94.3	Very high	95	Very high	1 Å²	1	46.8 Å²	46.8	1%	0.005	22%	0.217	C	C	.	.	H	α-helix	trans	-59.7	-48.5	174.8	177.6	58.2	0	0	0	111.3	L158 F232 T236 Y237 T243 L244 I300 L333 F383	L158-L240 HydrophobicContact CD1-CD1 3.9Å; F232-L240 HydrophobicContact CZ-CD2 4.37Å; T236-L240 VanDerWaalsContact O-CB 3.28Å; T236-L240 WeakPolarHBondContact O-CB 3.33Å; T236-L240 PolarHBondContact O-N 3.2Å; Y237-L240 PolarHBondContact O-N 3.4Å; L240-T243 PolarHBondContact O-N 3.19Å; L240-L244 HydrophobicContact CD1-CD1 4.17Å; L240-L244 HydrophobicContact CD1-CG 4.39Å; L240-L244 HydrophobicContact CG-CD1 4.15Å; L240-L244 WeakPolarHBondContact O-CG 3.38Å; L240-L244 PolarHBondContact O-N 3.08Å; L240-I300 HydrophobicContact CB-CD1 4Å; L240-I300 HydrophobicContact CD1-CD1 4.31Å; L240-L333 HydrophobicContact CD1-CD1 3.94Å; L240-L333 HydrophobicContact CD1-CD2 3.96Å; L240-L333 HydrophobicContact CD2-CD2 4.15Å; L240-F383 HydrophobicContact CD2-CD1 4.39Å; L240-F383 HydrophobicContact CD2-CD2 3.72Å; L240-F383 HydrophobicContact CD2-CE1 4.44Å; L240-F383 HydrophobicContact CD2-CE2 3.82Å; L240-F383 HydrophobicContact CD2-CG 4.02Å; L240-F383 HydrophobicContact CD2-CZ 4.17Å; L240-F383 HydrophobicContact CG-CD2 4.44Å; L240-F383 HydrophobicContact CG-CE2 4.47Å
241	M	95.8	Very high	94.9	Very high	12 Å²	12	46.8 Å²	46.8	6%	0.059	22%	0.217	C	C	.	.	H	α-helix	trans	-68	-39.1	-179	-72.5	-51.7	-42.6	0	0	112.6	Y237 N238 T243 L244 Q245 L375 F383	Y237-M241 HydrophobicContact CD1-CG 4.22Å; Y237-M241 HydrophobicContact CD2-CG 4.33Å; Y237-M241 HydrophobicContact CE1-CG 3.8Å; Y237-M241 HydrophobicContact CE2-CG 3.92Å; Y237-M241 HydrophobicContact CE2-SD 4.46Å; Y237-M241 HydrophobicContact CG-CG 4.48Å; Y237-M241 WeakPolarHBondContact O-CB 3.2Å; Y237-M241 WeakPolarHBondContact O-CG 3.49Å; Y237-M241 PolarHBondContact O-N 2.9Å; N238-M241 PolarHBondContact O-N 3.43Å; M241-T243 VanDerWaalsContact C-N 3.32Å; M241-T243 PolarHBondContact O-N 3.36Å; M241-L244 HydrophobicContact CE-CD1 4.41Å; M241-L244 PolarHBondContact O-N 3.28Å; M241-L244 HydrophobicContact SD-CD1 4.09Å; M241-Q245 WeakPolarHBondContact O-CB 3.44Å; M241-Q245 WeakPolarHBondContact O-CG 3.35Å; M241-Q245 PolarHBondContact O-N 3.16Å; M241-L375 HydrophobicContact CE-CD2 4.4Å; M241-F383 HydrophobicContact SD-CD2 4.45Å
242	K	95.2	Very high	94.8	Very high	128 Å²	128	47.7 Å²	47.7	56%	0.557	22%	0.223	S	C	*	.	H	α-helix	trans	-60.3	-44.1	174.3	-175.9	179.8	-179.6	-176.6	0	110.7	N238 N239 Q245 R246	N238-K242 WeakPolarHBondContact O-CB 3.25Å; N238-K242 PolarHBondContact O-N 2.82Å; N239-K242 PolarHBondContact O-N 2.88Å; K242-Q245 PolarHBondContact O-N 3.19Å; K242-R246 WeakPolarHBondContact O-CG 3.28Å; K242-R246 PolarHBondContact O-N 3.38Å; K242-R246 VanDerWaalsContact O-N 3.11Å
243	T	95.3	Very high	94.7	Very high	9 Å²	9	51.1 Å²	51.1	6%	0.055	25%	0.247	C	C	.	.	H	α-helix	trans	-63.4	-51.2	177.5	-59.9	0	0	0	0	111.4	R156 L158 N239 L240 M241 Q245 R246 D247	R156-T243 WeakPolarHBondContact O-CG2 3.4Å; L158-T243 HydrophobicContact CD1-CG2 4.32Å; L158-T243 HydrophobicContact CG-CG2 3.9Å; N239-T243 WeakPolarHBondContact O-CB 3.16Å; N239-T243 PolarHBondContact O-N 3.1Å; N239-T243 PolarHBondContact O-OG1 2.94Å; L240-T243 PolarHBondContact O-N 3.19Å; M241-T243 VanDerWaalsContact C-N 3.32Å; M241-T243 PolarHBondContact O-N 3.36Å; T243-Q245 VanDerWaalsContact C-N 3.27Å; T243-Q245 PolarHBondContact O-N 2.88Å; T243-R246 WeakPolarHBondContact O-CB 3.4Å; T243-R246 PolarHBondContact O-N 3.12Å; T243-D247 PolarHBondContact O-N 3Å
244	L	96.4	Very high	94.6	Very high	0 Å²	0	50.7 Å²	50.7	0%	0	24%	0.243	C	C	.	.	H	α-helix	trans	-55.3	-42.2	176.2	-79.5	168.8	0	0	0	112.1	L158 L240 M241 R246 D247 C248 L261 I335 F374 L375 M378 F383	L158-L244 HydrophobicContact CD1-CD2 3.53Å; L158-L244 HydrophobicContact CD1-CG 3.72Å; L240-L244 HydrophobicContact CD1-CD1 4.17Å; L240-L244 HydrophobicContact CD1-CG 4.39Å; L240-L244 HydrophobicContact CG-CD1 4.15Å; L240-L244 WeakPolarHBondContact O-CG 3.38Å; L240-L244 PolarHBondContact O-N 3.08Å; M241-L244 HydrophobicContact CE-CD1 4.41Å; M241-L244 PolarHBondContact O-N 3.28Å; M241-L244 HydrophobicContact SD-CD1 4.09Å; L244-R246 PolarHBondContact O-N 3.41Å; L244-D247 PolarHBondContact O-N 2.91Å; L244-C248 VanDerWaalsContact O-CB 3.3Å; L244-C248 WeakPolarHBondContact O-CB 3.19Å; L244-C248 PolarHBondContact O-N 3.47Å; L244-C248 PolarHBondContact O-SG 3.5Å; L244-C248 VanDerWaalsContact O-SG 3.42Å; L244-L261 HydrophobicContact CD2-CD1 4.25Å; L244-I335 HydrophobicContact CD2-CD1 4.28Å; L244-F374 HydrophobicContact CD2-CE1 4.28Å; L244-L375 HydrophobicContact CB-CD2 3.83Å; L244-M378 HydrophobicContact CD1-CB 4.3Å; L244-F383 HydrophobicContact CD1-CD2 4.29Å; L244-F383 HydrophobicContact CD1-CE2 4Å
245	Q	97.1	Very high	94.5	Very high	96 Å²	96	52 Å²	52	45%	0.449	24%	0.243	S	C	.	.	H	α-helix	trans	-62.3	-41	177.2	-75.6	172.4	4.4	0	0	112.5	M241 K242 T243 R249 L375	M241-Q245 WeakPolarHBondContact O-CB 3.44Å; M241-Q245 WeakPolarHBondContact O-CG 3.35Å; M241-Q245 PolarHBondContact O-N 3.16Å; K242-Q245 PolarHBondContact O-N 3.19Å; T243-Q245 VanDerWaalsContact C-N 3.27Å; T243-Q245 PolarHBondContact O-N 2.88Å; Q245-R249 PolarHBondContact O-N 3.34Å; Q245-R249 VanDerWaalsContact O-N 3.12Å; Q245-L375 HydrophobicContact CG-CD1 4.17Å; Q245-L375 HydrophobicContact CG-CD2 4.1Å
246	R	96.5	Very high	94.4	Very high	83 Å²	83	46.5 Å²	46.5	31%	0.313	22%	0.217	S	C	.	.	H	α-helix	trans	-65.9	-46.7	176.7	-68.1	178.3	76.4	165.4	6.9	111.1	Q153 K242 T243 L244 C248 R249 V250	Q153-R246 VanDerWaalsContact O-CZ 3.28Å; Q153-R246 PolarHBondContact O-NH1 3.14Å; Q153-R246 VanDerWaalsContact O-NH1 3.17Å; Q153-R246 PolarHBondContact O-NH2 3.42Å; K242-R246 WeakPolarHBondContact O-CG 3.28Å; K242-R246 PolarHBondContact O-N 3.38Å; K242-R246 VanDerWaalsContact O-N 3.11Å; T243-R246 WeakPolarHBondContact O-CB 3.4Å; T243-R246 PolarHBondContact O-N 3.12Å; L244-R246 PolarHBondContact O-N 3.41Å; R246-C248 PolarHBondContact O-N 3.21Å; R246-R249 WeakPolarHBondContact O-CB 3.43Å; R246-R249 PolarHBondContact O-N 3.05Å; R246-R249 VanDerWaalsContact O-N 3.14Å; R246-V250 PolarHBondContact O-N 3.39Å
247	D	97.2	Very high	94.3	Very high	0 Å²	0	46.7 Å²	46.7	0%	0	22%	0.217	C	C	.	.	H	α-helix	trans	-65.2	-41.3	-179.7	-66.6	-16.1	0	0	0	111.7	N154 T157 L158 L159 T243 L244 R249 V250 L251 I335	N154-D247 PolarHBondContact ND2-OD1 3.39Å; T157-D247 PolarHBondContact OG1-OD1 2.91Å; L158-D247 WeakPolarHBondContact CA-OD2 3.43Å; L158-D247 WeakPolarHBondContact CB-OD2 3.27Å; L158-D247 PolarHBondContact N-OD2 2.88Å; L159-D247 HydrophobicContact CD2-CB 4.04Å; L159-D247 HydrophobicContact CG-CB 4.2Å; T243-D247 PolarHBondContact O-N 3Å; L244-D247 PolarHBondContact O-N 2.91Å; D247-R249 VanDerWaalsContact C-N 3.29Å; D247-R249 PolarHBondContact O-N 3.01Å; D247-V250 WeakPolarHBondContact O-CB 3.43Å; D247-V250 PolarHBondContact O-N 3.09Å; D247-L251 VanDerWaalsContact O-CG 3.29Å; D247-L251 WeakPolarHBondContact O-CG 3.43Å; D247-L251 PolarHBondContact O-N 3.46Å; D247-I335 HydrophobicContact CB-CD1 3.9Å
248	C	96.8	Very high	93.9	Very high	2 Å²	2	48.3 Å²	48.3	1%	0.014	23%	0.228	C	C	.	.	H	α-helix	trans	-60.6	-37.8	173.4	-80.4	0	0	0	0	112.4	L244 R246 L251 E252 A371 F374 L375	L244-C248 VanDerWaalsContact O-CB 3.3Å; L244-C248 WeakPolarHBondContact O-CB 3.19Å; L244-C248 PolarHBondContact O-N 3.47Å; L244-C248 PolarHBondContact O-SG 3.5Å; L244-C248 VanDerWaalsContact O-SG 3.42Å; R246-C248 PolarHBondContact O-N 3.21Å; C248-L251 PolarHBondContact O-N 3.07Å; C248-E252 VanDerWaalsContact O-CB 3.27Å; C248-E252 WeakPolarHBondContact O-CB 2.96Å; C248-E252 PolarHBondContact O-N 2.99Å; C248-A371 HydrophobicContact CB-CB 4.19Å; C248-F374 VanDerWaalsContact SG-CD1 3.58Å; C248-L375 HydrophobicContact CB-CD1 3.75Å; C248-L375 HydrophobicContact CB-CD2 4.22Å; C248-L375 HydrophobicContact CB-CG 3.99Å
249	R	95.8	Very high	93.9	Very high	162 Å²	162	44.7 Å²	44.7	61%	0.611	21%	0.209	S	C	*	.	H	α-helix	trans	-64.8	-39.9	175.2	-172.2	178.9	-66.1	117.8	0.5	111.7	Q245 R246 D247 E252 S253	Q245-R249 PolarHBondContact O-N 3.34Å; Q245-R249 VanDerWaalsContact O-N 3.12Å; R246-R249 WeakPolarHBondContact O-CB 3.43Å; R246-R249 PolarHBondContact O-N 3.05Å; R246-R249 VanDerWaalsContact O-N 3.14Å; D247-R249 VanDerWaalsContact C-N 3.29Å; D247-R249 PolarHBondContact O-N 3.01Å; R249-E252 PolarHBondContact O-N 3.08Å; R249-S253 PolarHBondContact O-N 2.99Å
250	V	95	Very high	94	Very high	28 Å²	28	43.1 Å²	43.1	17%	0.17	20%	0.2	C	C	.	.	H	α-helix	trans	-63.8	-48.4	173.7	172.4	0	0	0	0	110.7	N150 L159 R246 D247 E252 S253 F254	N150-V250 HydrophobicContact CB-CG2 4.35Å; L159-V250 HydrophobicContact CD1-CG1 4.12Å; R246-V250 PolarHBondContact O-N 3.39Å; D247-V250 WeakPolarHBondContact O-CB 3.43Å; D247-V250 PolarHBondContact O-N 3.09Å; V250-E252 VanDerWaalsContact C-N 3.3Å; V250-E252 PolarHBondContact O-N 2.86Å; V250-S253 PolarHBondContact O-N 3.5Å; V250-S253 PolarHBondContact O-OG 3.47Å; V250-F254 HydrophobicContact CG1-CD2 3.9Å; V250-F254 HydrophobicContact CG1-CE2 3.98Å; V250-F254 WeakPolarHBondContact O-CD2 3.33Å; V250-F254 PolarHBondContact O-N 2.92Å; V250-F254 VanDerWaalsContact O-N 3.1Å
251	L	95.4	Very high	94.2	Very high	1 Å²	1	43 Å²	43	1%	0.005	20%	0.2	C	C	.	.	H	α-helix	trans	-60.3	-41.7	178.4	-67	169.3	0	0	0	111.7	L159 D247 C248 F254 K255 I256 Y259 I335 I338	L159-L251 HydrophobicContact CD2-CD1 3.87Å; L159-L251 HydrophobicContact CD2-CD2 3.83Å; L159-L251 HydrophobicContact CD2-CG 3.87Å; D247-L251 VanDerWaalsContact O-CG 3.29Å; D247-L251 WeakPolarHBondContact O-CG 3.43Å; D247-L251 PolarHBondContact O-N 3.46Å; C248-L251 PolarHBondContact O-N 3.07Å; L251-F254 PolarHBondContact O-N 2.92Å; L251-K255 PolarHBondContact O-N 3.35Å; L251-I256 HydrophobicContact CB-CB 4.34Å; L251-I256 HydrophobicContact CD2-CB 4.13Å; L251-I256 HydrophobicContact CD2-CD1 3.71Å; L251-I256 HydrophobicContact CD2-CG2 4.06Å; L251-I256 WeakPolarHBondContact O-CB 3.34Å; L251-I256 PolarHBondContact O-N 2.79Å; L251-Y259 HydrophobicContact CB-CD1 4.4Å; L251-Y259 HydrophobicContact CB-CE1 3.8Å; L251-Y259 HydrophobicContact CD1-CD1 3.89Å; L251-Y259 HydrophobicContact CD1-CD2 3.87Å; L251-Y259 HydrophobicContact CD1-CE1 3.74Å; L251-Y259 HydrophobicContact CD1-CE2 3.73Å; L251-Y259 HydrophobicContact CD1-CG 3.93Å; L251-Y259 HydrophobicContact CG-CE1 4.3Å; L251-I335 HydrophobicContact CD1-CD1 4.07Å; L251-I335 HydrophobicContact CD1-CG2 4.04Å; L251-I338 HydrophobicContact CD2-CB 3.82Å; L251-I338 HydrophobicContact CD2-CD1 4.37Å; L251-I338 HydrophobicContact CD2-CG2 3.72Å
252	E	93.8	Very high	94.3	Very high	67 Å²	67	43.9 Å²	43.9	31%	0.313	21%	0.205	S	C	.	.	H	α-helix	trans	-62.9	-43.5	175.1	-173.5	-170.5	154.3	0	0	112.3	C248 R249 V250 F254 K255 P367 A368 A371	C248-E252 VanDerWaalsContact O-CB 3.27Å; C248-E252 WeakPolarHBondContact O-CB 2.96Å; C248-E252 PolarHBondContact O-N 2.99Å; R249-E252 PolarHBondContact O-N 3.08Å; V250-E252 VanDerWaalsContact C-N 3.3Å; V250-E252 PolarHBondContact O-N 2.86Å; E252-F254 VanDerWaalsContact C-N 3.25Å; E252-F254 PolarHBondContact O-N 3.39Å; E252-K255 PolarHBondContact O-N 2.89Å; E252-P367 HydrophobicContact CG-CB 4.32Å; E252-A368 HydrophobicContact CG-CB 4.31Å; E252-A368 VanDerWaalsContact OE1-CB 3.27Å; E252-A368 WeakPolarHBondContact OE1-CB 3.43Å; E252-A371 HydrophobicContact CB-CB 4.49Å
253	S	91.6	Very high	94.4	Very high	73 Å²	73	37.8 Å²	37.8	51%	0.51	18%	0.178	S	C	.	.	H	α-helix	trans	-62.2	-36	178.8	69.6	0	0	0	0	111.7	R249 V250 K255	R249-S253 PolarHBondContact O-N 2.99Å; V250-S253 PolarHBondContact O-N 3.5Å; V250-S253 PolarHBondContact O-OG 3.47Å; S253-K255 PolarHBondContact O-N 3.28Å
254	F	90.9	Very high	94.4	Very high	58 Å²	58	37.4 Å²	37.4	25%	0.254	18%	0.176	S	C	.	.	T	Hydrogen-bonded Turn	trans	-81.8	3	174.4	-73.3	-68.4	0	0	0	114.6	F139 L143 V250 L251 E252 I256	F139-F254 HydrophobicContact CZ-CB 4.35Å; L143-F254 HydrophobicContact CD1-CB 4.14Å; L143-F254 HydrophobicContact CD1-CD1 3.67Å; L143-F254 HydrophobicContact CD1-CD2 3.39Å; L143-F254 HydrophobicContact CD1-CE1 3.98Å; L143-F254 HydrophobicContact CD1-CE2 3.74Å; L143-F254 HydrophobicContact CD1-CG 3.41Å; L143-F254 VanDerWaalsContact CD1-CG 3.41Å; L143-F254 HydrophobicContact CD1-CZ 4.05Å; V250-F254 HydrophobicContact CG1-CD2 3.9Å; V250-F254 HydrophobicContact CG1-CE2 3.98Å; V250-F254 WeakPolarHBondContact O-CD2 3.33Å; V250-F254 PolarHBondContact O-N 2.92Å; V250-F254 VanDerWaalsContact O-N 3.1Å; L251-F254 PolarHBondContact O-N 2.92Å; E252-F254 VanDerWaalsContact C-N 3.25Å; E252-F254 PolarHBondContact O-N 3.39Å; F254-I256 HydrophobicContact CB-CD1 3.63Å; F254-I256 HydrophobicContact CB-CG1 3.81Å; F254-I256 PolarHBondContact O-N 3.05Å
255	K	90.6	Very high	94.4	Very high	89 Å²	89	37.4 Å²	37.4	39%	0.387	18%	0.176	S	C	.	.	T	Hydrogen-bonded Turn	trans	55.9	37.8	-177.8	-47.3	-61.6	169.7	-162.2	0	111.6	L251 E252 S253 Y342 P367	L251-K255 PolarHBondContact O-N 3.35Å; E252-K255 PolarHBondContact O-N 2.89Å; S253-K255 PolarHBondContact O-N 3.28Å; K255-Y342 VanDerWaalsContact O-CB 3.24Å; K255-Y342 WeakPolarHBondContact O-CB 3.38Å; K255-Y342 PolarHBondContact O-N 3.01Å; K255-P367 HydrophobicContact CB-CG 4.35Å; K255-P367 HydrophobicContact CD-CG 4.13Å
256	I	91.1	Very high	94.3	Very high	1 Å²	1	34.1 Å²	34.1	1%	0.005	16%	0.16	C	C	.	.	B	Isolated β-bridge	trans	-87.9	138.8	176.5	-59.2	165.8	0	0	0	108.4	F139 L143 L251 F254 Y259 I338	F139-I256 HydrophobicContact CE1-CD1 3.81Å; F139-I256 HydrophobicContact CE1-CG1 3.78Å; F139-I256 HydrophobicContact CZ-CD1 3.71Å; F139-I256 HydrophobicContact CZ-CG1 3.52Å; L143-I256 HydrophobicContact CD1-CD1 4.4Å; L251-I256 HydrophobicContact CB-CB 4.34Å; L251-I256 HydrophobicContact CD2-CB 4.13Å; L251-I256 HydrophobicContact CD2-CD1 3.71Å; L251-I256 HydrophobicContact CD2-CG2 4.06Å; L251-I256 WeakPolarHBondContact O-CB 3.34Å; L251-I256 PolarHBondContact O-N 2.79Å; F254-I256 HydrophobicContact CB-CD1 3.63Å; F254-I256 HydrophobicContact CB-CG1 3.81Å; F254-I256 PolarHBondContact O-N 3.05Å; I256-Y259 HydrophobicContact CG2-CD1 4.01Å; I256-I338 WeakPolarHBondContact CD1-O 3.45Å; I256-I338 HydrophobicContact CG2-CB 4.24Å; I256-I338 WeakPolarHBondContact CG2-O 3.48Å
257	M	88.5	Confident	94.1	Very high	23 Å²	23	31.1 Å²	31.1	11%	0.113	15%	0.151	C	C	.	.			trans	-139.4	177.7	175.2	-57.2	-170.7	-40.9	0	0	109.3	Y259 Q340 Y342 R366 P367 Y370	M257-Y259 PolarHBondContact O-N 2.95Å; M257-Y259 VanDerWaalsContact O-N 3.08Å; M257-Q340 PolarHBondContact N-O 2.87Å; M257-Y342 HydrophobicContact CE-CD1 4.43Å; M257-Y342 HydrophobicContact CE-CD2 3.1Å; M257-Y342 HydrophobicContact CE-CE2 3.74Å; M257-Y342 HydrophobicContact CE-CG 3.52Å; M257-Y342 HydrophobicContact SD-CD1 4.48Å; M257-Y342 HydrophobicContact SD-CD2 4.13Å; M257-Y342 HydrophobicContact SD-CG 3.99Å; M257-R366 VanDerWaalsContact SD-C 3.51Å; M257-R366 HydrophobicContact SD-CB 3.83Å; M257-P367 HydrophobicContact CG-CB 4.07Å; M257-P367 HydrophobicContact CG-CG 4.16Å; M257-P367 HydrophobicContact SD-CB 4.26Å; M257-P367 HydrophobicContact SD-CG 3.93Å; M257-Y370 HydrophobicContact CB-CD2 4.19Å; M257-Y370 HydrophobicContact CB-CG 4.32Å
258	D	87.8	Confident	93.7	Very high	72 Å²	72	33.7 Å²	33.7	39%	0.385	17%	0.165	S	C	.	.	S	Bend	trans	60.7	17.6	175.9	-66.6	-41.8	0	0	0	115.4	K197 Y370	K197-D258 WeakPolarHBondContact CE-O 3.44Å; K197-D258 PolarHBondContact NZ-O 2.92Å; D258-Y370 WeakPolarHBondContact CA-OH 3.46Å; D258-Y370 VanDerWaalsContact N-CZ 3.33Å; D258-Y370 WeakPolarHBondContact OD1-CE2 3.45Å
259	Y	94.6	Very high	92.9	Very high	0 Å²	0	39 Å²	39	0%	0	19%	0.193	C	C	.	.			trans	-72.9	151.8	166.6	53.7	-95.7	0	0	0	111.2	L251 I256 M257 I335 I336 Y370 A371 F374	L251-Y259 HydrophobicContact CB-CD1 4.4Å; L251-Y259 HydrophobicContact CB-CE1 3.8Å; L251-Y259 HydrophobicContact CD1-CD1 3.89Å; L251-Y259 HydrophobicContact CD1-CD2 3.87Å; L251-Y259 HydrophobicContact CD1-CE1 3.74Å; L251-Y259 HydrophobicContact CD1-CE2 3.73Å; L251-Y259 HydrophobicContact CD1-CG 3.93Å; L251-Y259 HydrophobicContact CG-CE1 4.3Å; I256-Y259 HydrophobicContact CG2-CD1 4.01Å; M257-Y259 PolarHBondContact O-N 2.95Å; M257-Y259 VanDerWaalsContact O-N 3.08Å; Y259-I335 HydrophobicContact CD2-CG2 3.93Å; Y259-I335 HydrophobicContact CG-CG2 4.22Å; Y259-I336 WeakPolarHBondContact CA-O 3.26Å; Y259-I336 WeakPolarHBondContact CB-O 3.43Å; Y259-Y370 HydrophobicContact CD1-CD1 4.4Å; Y259-Y370 HydrophobicContact CD1-CE1 4.04Å; Y259-Y370 HydrophobicContact CD2-CE1 4.02Å; Y259-Y370 AromaticContact CE1-CD1 3.77Å; Y259-Y370 HydrophobicContact CE1-CD1 3.77Å; Y259-Y370 AromaticContact CE1-CE1 3.81Å; Y259-Y370 HydrophobicContact CE1-CE1 3.81Å; Y259-Y370 HydrophobicContact CE2-CD1 4.16Å; Y259-Y370 AromaticContact CE2-CE1 3.77Å; Y259-Y370 HydrophobicContact CE2-CE1 3.77Å; Y259-Y370 HydrophobicContact CG-CE1 4.17Å; Y259-Y370 AromaticContact CZ-CD1 3.64Å; Y259-Y370 AromaticContact CZ-CE1 3.69Å; Y259-Y370 PolarHBondContact O-OH 2.68Å; Y259-A371 WeakPolarHBondContact OH-CA 3.34Å; Y259-F374 HydrophobicContact CD2-CD2 4.15Å; Y259-F374 AromaticContact CD2-CE2 3.9Å; Y259-F374 HydrophobicContact CD2-CE2 3.9Å; Y259-F374 HydrophobicContact CD2-CZ 4.13Å; Y259-F374 HydrophobicContact CE2-CB 4.45Å; Y259-F374 HydrophobicContact CE2-CD1 4Å; Y259-F374 AromaticContact CE2-CD2 3.87Å; Y259-F374 HydrophobicContact CE2-CD2 3.87Å; Y259-F374 HydrophobicContact CE2-CE1 4.1Å; Y259-F374 AromaticContact CE2-CE2 3.97Å; Y259-F374 HydrophobicContact CE2-CE2 3.97Å; Y259-F374 AromaticContact CE2-CG 3.87Å; Y259-F374 HydrophobicContact CE2-CG 3.87Å; Y259-F374 HydrophobicContact CE2-CZ 4.07Å
260	S	95.3	Very high	91	Very high	0 Å²	0	38.3 Å²	38.3	0%	0	20%	0.196	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-117.4	154.5	175.8	-62.9	0	0	0	0	110.7	D195 L196 K197 I335 I336	D195-S260 VanDerWaalsContact CG-OG 3.22Å; D195-S260 VanDerWaalsContact OD1-CB 3.31Å; D195-S260 WeakPolarHBondContact OD1-CB 3.06Å; D195-S260 PolarHBondContact OD1-OG 2.66Å; D195-S260 PolarHBondContact OD2-OG 2.7Å; L196-S260 CarbonylContact O-C 3.51Å; L196-S260 VanDerWaalsContact O-CA 3.28Å; L196-S260 WeakPolarHBondContact O-CA 3.49Å; K197-S260 WeakPolarHBondContact CE-OG 3.33Å; K197-S260 WeakPolarHBondContact CG-OG 3.34Å; S260-I335 CarbonylContact O-C 3.55Å; S260-I335 VanDerWaalsContact O-CA 3.32Å; S260-I335 WeakPolarHBondContact O-CA 3.26Å; S260-I336 PolarHBondContact N-O 3.33Å; S260-I336 PolarHBondContact O-N 3.44Å
261	L	97.9	Very high	88.7	Confident	0 Å²	0	47.5 Å²	47.5	0%	0	23%	0.228	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-84.4	115.1	156.3	-168.5	68.5	0	0	0	107.5	L196 L244 L333 I335 F374 M378 F383	L196-L261 HydrophobicContact CB-CB 4.45Å; L196-L261 PolarHBondContact N-O 3.14Å; L196-L261 PolarHBondContact O-N 3.41Å; L244-L261 HydrophobicContact CD2-CD1 4.25Å; L261-L333 HydrophobicContact CD1-CB 4.38Å; L261-L333 HydrophobicContact CD1-CD1 4.26Å; L261-I335 HydrophobicContact CD1-CG1 4.09Å; L261-F374 HydrophobicContact CB-CE2 4.14Å; L261-F374 HydrophobicContact CB-CZ 3.79Å; L261-M378 HydrophobicContact CB-CE 3.7Å; L261-M378 HydrophobicContact CB-SD 4.3Å; L261-M378 HydrophobicContact CD2-CE 4.21Å; L261-M378 HydrophobicContact CD2-CG 4.28Å; L261-M378 HydrophobicContact CD2-SD 3.68Å; L261-F383 HydrophobicContact CD2-CE2 3.78Å; L261-F383 HydrophobicContact CD2-CZ 3.68Å
262	L	97.1	Very high	86.3	Confident	30 Å²	30	55.8 Å²	55.8	16%	0.157	27%	0.266	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-80.7	123.9	166.3	-176.6	59.5	0	0	0	107.5	V183 L184 Y194 L333 G334 I336	V183-L262 HydrophobicContact CB-CD2 4.13Å; V183-L262 HydrophobicContact CG1-CD2 4.3Å; V183-L262 HydrophobicContact CG1-CG 4.49Å; L184-L262 HydrophobicContact CD1-CD1 3.83Å; L184-L262 HydrophobicContact CD1-CD2 3.87Å; L184-L262 HydrophobicContact CD1-CG 3.76Å; L184-L262 HydrophobicContact CG-CD2 3.92Å; L184-L262 HydrophobicContact CG-CG 4.05Å; Y194-L262 WeakPolarHBondContact O-CA 3.39Å; L262-L333 WeakPolarHBondContact O-CA 3.2Å; L262-G334 PolarHBondContact N-O 3.26Å; L262-G334 PolarHBondContact O-N 2.96Å; L262-I336 HydrophobicContact CB-CD1 3.96Å; L262-I336 HydrophobicContact CB-CG1 4.09Å; L262-I336 HydrophobicContact CB-CG2 3.81Å; L262-I336 HydrophobicContact CD2-CD1 4.42Å; L262-I336 HydrophobicContact CD2-CG2 4.13Å
263	L	97.5	Very high	83.9	Confident	0 Å²	0	58.7 Å²	58.7	0%	0	29%	0.289	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-127.5	120.6	-175.7	176.2	69.5	0	0	0	109.5	K193 Y194 L196 F222 L230 V265 I331 F332 L333 V382 F383	K193-L263 CarbonylContact C-O 3.53Å; K193-L263 VanDerWaalsContact CA-O 3.3Å; K193-L263 WeakPolarHBondContact CA-O 3.21Å; Y194-L263 HydrophobicContact CD2-CD2 4.15Å; Y194-L263 HydrophobicContact CD2-CG 4.48Å; Y194-L263 PolarHBondContact N-O 3.49Å; Y194-L263 PolarHBondContact O-N 2.93Å; L196-L263 HydrophobicContact CD1-CB 4.4Å; L196-L263 HydrophobicContact CD1-CD2 3.88Å; F222-L263 HydrophobicContact CD2-CD2 4.38Å; F222-L263 HydrophobicContact CE2-CD2 3.92Å; L230-L263 HydrophobicContact CD1-CD2 4Å; L263-V265 HydrophobicContact CG-CG2 4.35Å; L263-I331 HydrophobicContact CD1-CG2 3.37Å; L263-F332 CarbonylContact C-O 3.51Å; L263-L333 HydrophobicContact CD1-CB 4Å; L263-L333 HydrophobicContact CD1-CD2 4.34Å; L263-V382 HydrophobicContact CD2-CG1 3.92Å; L263-F383 HydrophobicContact CD1-CE1 4.18Å; L263-F383 HydrophobicContact CD1-CZ 4.32Å
264	G	96.7	Very high	81.3	Confident	0 Å²	0	57.9 Å²	57.9	0%	0	29%	0.292	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-106.6	133.9	169.3	0	0	0	0	0	110.4	Y192 F332	Y192-G264 WeakPolarHBondContact O-CA 3.33Å; G264-F332 PolarHBondContact N-O 3.44Å; G264-F332 PolarHBondContact O-N 3.03Å
265	V	95.6	Very high	78.3	Confident	1 Å²	1	63.7 Å²	63.7	1%	0.006	32%	0.32	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-116.7	120.1	176.5	-175.4	0	0	0	0	108.2	H191 Y192 Y194 L230 L263 L329 I331	H191-V265 PolarHBondContact N-O 3.41Å; Y192-V265 HydrophobicContact CD2-CB 4.15Å; Y192-V265 HydrophobicContact CD2-CG1 4.21Å; Y192-V265 PolarHBondContact N-O 3.44Å; Y192-V265 VanDerWaalsContact N-O 3.13Å; Y192-V265 PolarHBondContact O-N 3.05Å; Y194-V265 HydrophobicContact CE2-CG2 4.27Å; L230-V265 HydrophobicContact CD1-CG2 4.2Å; L263-V265 HydrophobicContact CG-CG2 4.35Å; V265-L329 HydrophobicContact CG1-CB 4.45Å; V265-L329 HydrophobicContact CG1-CD1 4.06Å; V265-L329 HydrophobicContact CG1-CD2 4.03Å; V265-L329 HydrophobicContact CG1-CG 4.42Å; V265-I331 HydrophobicContact CB-CD1 4.25Å; V265-I331 HydrophobicContact CG1-CD1 3.92Å; V265-I331 HydrophobicContact CG2-CD1 3.98Å
266	H	94.1	Very high	75.9	Confident	27 Å²	27	66 Å²	66	13%	0.125	34%	0.344	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-106	117.7	169.7	175.4	76.5	0	0	0	108.8	V188 K189 H191 L329 L330 F332	V188-H266 HydrophobicContact CG1-CB 3.98Å; K189-H266 PolarHBondContact O-ND1 2.97Å; H191-H266 AromaticContact CE1-CE1 3.95Å; H191-H266 AromaticContact CE1-ND1 3.73Å; H191-H266 AromaticContact ND1-ND1 3.67Å; H266-L329 CarbonylContact O-C 3.49Å; H266-L329 VanDerWaalsContact O-CA 3.29Å; H266-L329 WeakPolarHBondContact O-CA 3.34Å; H266-L330 HydrophobicContact CB-CB 4.21Å; H266-L330 PolarHBondContact N-O 3.27Å; H266-L330 PolarHBondContact O-N 3.23Å; H266-F332 HydrophobicContact CB-CE2 4.5Å
267	V	93.2	Very high	73.1	Confident	19 Å²	19	68.8 Å²	68.8	12%	0.115	37%	0.373	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-81.3	126.6	173	179.4	0	0	0	0	108.5	H191 Y192 E327 L329	H191-V267 HydrophobicContact CB-CG2 4.07Å; H191-V267 PolarHBondContact CE1-O 3.4Å; H191-V267 VanDerWaalsContact CE1-O 3.31Å; H191-V267 PolarHBondContact ND1-N 3.41Å; H191-V267 VanDerWaalsContact ND1-N 3.12Å; Y192-V267 HydrophobicContact CE2-CG2 4.12Å; V267-E327 VanDerWaalsContact CG1-CD 3.47Å; V267-E327 HydrophobicContact CG1-CG 3.82Å; V267-E327 WeakPolarHBondContact CG1-OE1 3.23Å; V267-L329 HydrophobicContact CB-CD2 4.25Å; V267-L329 HydrophobicContact CG1-CD2 4.45Å; V267-L329 HydrophobicContact CG2-CD2 3.77Å
268	L	89.5	Confident	70.2	Confident	55 Å²	55	77 Å²	77	29%	0.288	41%	0.411	S	S	.	.	P	Polyproline II helix	trans	-82.1	123.6	174.2	-68.2	171.5	0	0	0	108.9	K328 L330	L268-K328 HydrophobicContact CB-CB 4.18Å; L268-K328 HydrophobicContact CD1-CB 3.92Å; L268-K328 PolarHBondContact N-O 2.97Å; L268-L330 HydrophobicContact CD1-CD2 4.46Å; L268-L330 HydrophobicContact CD1-CG 4.08Å; L268-L330 HydrophobicContact CD2-CD1 3.86Å; L268-L330 HydrophobicContact CD2-CG 4.1Å; L268-L330 HydrophobicContact CG-CD1 4.47Å; L268-L330 HydrophobicContact CG-CG 4.17Å
269	D	78.1	Confident	67.9	Low	112 Å²	112	80.7 Å²	80.7	60%	0.599	44%	0.436	S	S	*	.	P	Polyproline II helix	trans	-75.6	137.1	-178.7	-137.8	-23.1	0	0	0	110.3	R271 E272	D269-R271 PolarHBondContact O-N 3.18Å; D269-E272 PolarHBondContact O-N 3.27Å
270	H	56.3	Low	64.9	Low	149 Å²	149	84.8 Å²	84.8	69%	0.69	48%	0.479	S	S	*	.	T	Hydrogen-bonded Turn	trans	-65.2	-9.7	179.9	-89.5	-53.6	0	0	0	113.7
271	R	46.6	Very low	61.6	Low	220 Å²	220	88.6 Å²	88.6	83%	0.83	52%	0.518	S	S	*	.	T	Hydrogen-bonded Turn	trans	-92.4	-9.9	-174.6	-67.4	-174	178.3	-178.1	-0.1	115.3	D269 V273	D269-R271 PolarHBondContact O-N 3.18Å; R271-V273 VanDerWaalsContact C-N 3.3Å
272	E	46.7	Very low	58.7	Low	175 Å²	175	97 Å²	97	82%	0.818	56%	0.563	S	S	*	*	T	Hydrogen-bonded Turn	trans	-86	-2.9	176.6	-65.5	-167.5	168	0	0	113	D269	D269-E272 PolarHBondContact O-N 3.27Å
273	V	41.9	Very low	55.4	Low	128 Å²	128	98.7 Å²	98.7	78%	0.776	59%	0.587	S	S	*	*	T	Hydrogen-bonded Turn	trans	-105.1	21.3	-175.9	-164.3	0	0	0	0	112.8	R271	R271-V273 VanDerWaalsContact C-N 3.3Å
274	G	38.2	Very low	52.4	Low	56 Å²	56	110.1 Å²	110.1	58%	0.577	63%	0.63	S	S	*	*			trans	-156.5	88.5	-179.3	0	0	0	0	0	115.2
275	E	27.3	Very low	49.2	Very low	180 Å²	180	121.6 Å²	121.6	84%	0.841	67%	0.674	S	S	*	*			trans	-166.5	117	136.6	-109	179.9	-168.4	0	0	110.9
276	P	39.6	Very low	45.9	Very low	138 Å²	138	129 Å²	129	90%	0.896	71%	0.714	S	S	*	*			trans	-88.4	117.1	161.9	30.7	-23.7	0	0	0	110.3
277	G	32.5	Very low	43.1	Very low	59 Å²	59	133.7 Å²	133.7	61%	0.608	74%	0.744	S	S	*	*			trans	120.5	125.2	172.5	0	0	0	0	0	111.7
278	Q	28.6	Very low	40.4	Very low	195 Å²	195	135.5 Å²	135.5	91%	0.911	77%	0.766	S	S	*	*			cis	-147	142.1	49	-71.4	171.5	8.3	0	0	112.4
279	T	38.7	Very low	37.9	Very low	151 Å²	151	139.4 Å²	139.4	93%	0.926	78%	0.783	S	S	*	*			trans	-63.8	129.2	162.9	39.5	0	0	0	0	111.7
280	G	30.7	Very low	36.2	Very low	86 Å²	86	141.8 Å²	141.8	89%	0.887	78%	0.783	S	S	*	*			trans	146.6	106.1	157.9	0	0	0	0	0	114.4
281	G	27.9	Very low	35.7	Very low	80 Å²	80	136 Å²	136	83%	0.825	76%	0.759	S	S	*	*			trans	141.8	96.1	164.6	0	0	0	0	0	113.8
282	D	35.9	Very low	35.5	Very low	177 Å²	177	130.5 Å²	130.5	95%	0.947	75%	0.745	S	S	*	*			trans	-62.5	139.2	173.3	-163.5	5.8	0	0	0	111.7
283	G	28.4	Very low	35.6	Very low	65 Å²	65	123.3 Å²	123.3	67%	0.67	71%	0.711	S	S	*	*			trans	153.7	77.6	-177.8	0	0	0	0	0	114	R285	G283-R285 PolarHBondContact O-N 3.26Å
284	R	33.1	Very low	35.8	Very low	239 Å²	239	117.5 Å²	117.5	90%	0.902	68%	0.676	S	S	*	*			trans	22	89.1	160.6	-73.4	177.8	176.3	159.8	-0.9	115.4	N286	R284-N286 PolarHBondContact O-N 3.06Å
285	R	30.3	Very low	36.5	Very low	241 Å²	241	115.1 Å²	115.1	91%	0.909	65%	0.65	S	S	*	*			trans	-57	113	159.2	-71.7	179.3	179.2	168.4	-1.2	107.7	G283 V287	G283-R285 PolarHBondContact O-N 3.26Å; R285-V287 PolarHBondContact O-N 3.31Å
286	N	27.5	Very low	37.6	Very low	158 Å²	158	106.7 Å²	106.7	85%	0.845	61%	0.611	S	S	*	*			trans	-57.4	107.7	164	-80.4	-22.2	0	0	0	106.4	R284 G288	R284-N286 PolarHBondContact O-N 3.06Å; N286-G288 PolarHBondContact O-N 2.57Å
287	V	33.7	Very low	37.9	Very low	125 Å²	125	101.3 Å²	101.3	76%	0.758	58%	0.575	S	S	*	*			trans	-54.4	106.9	172	178	0	0	0	0	105.7	R285 Q289	R285-V287 PolarHBondContact O-N 3.31Å; V287-Q289 PolarHBondContact O-N 2.82Å
288	G	36.2	Very low	38.8	Very low	57 Å²	57	104.4 Å²	104.4	59%	0.588	57%	0.573	S	S	*	*			trans	-52.2	127.1	178.8	0	0	0	0	0	108.5	N286 R290	N286-G288 PolarHBondContact O-N 2.57Å; G288-R290 PolarHBondContact O-N 2.83Å
289	Q	37.4	Very low	39.7	Very low	136 Å²	136	95.3 Å²	95.3	64%	0.636	53%	0.531	S	S	*	.			trans	-47.8	102.5	177.1	-112	167.9	-25.5	0	0	108.9	V287 V291	V287-Q289 PolarHBondContact O-N 2.82Å; Q289-V291 PolarHBondContact O-N 3.39Å
290	R	43.3	Very low	40.2	Very low	162 Å²	162	88.4 Å²	88.4	61%	0.611	49%	0.489	S	S	*	.			trans	-68.2	123.5	174.2	-72.9	178.3	172.5	174.5	-4.5	106	G288 L292 D313	G288-R290 PolarHBondContact O-N 2.83Å; R290-L292 HydrophobicContact CB-CD2 4.22Å; R290-L292 HydrophobicContact CB-CG 4.47Å; R290-L292 PolarHBondContact O-N 3.29Å; R290-D313 IonicContact NH2-OD1 3.77Å
291	V	45.3	Very low	40.8	Very low	29 Å²	29	89.4 Å²	89.4	18%	0.176	47%	0.47	C	S	.	.			trans	-75.5	88.7	171.4	-172.4	0	0	0	0	105.5	P185 S187 Q289 Y293 S294	P185-V291 HydrophobicContact CB-CB 4.44Å; P185-V291 HydrophobicContact CB-CG1 4.09Å; P185-V291 HydrophobicContact CB-CG2 3.6Å; P185-V291 HydrophobicContact CG-CG1 4.34Å; P185-V291 HydrophobicContact CG-CG2 4.04Å; S187-V291 WeakPolarHBondContact OG-CG2 3.43Å; Q289-V291 PolarHBondContact O-N 3.39Å; V291-Y293 PolarHBondContact O-N 3.1Å; V291-S294 PolarHBondContact O-N 3.39Å
292	L	42.1	Very low	41.3	Very low	104 Å²	104	87.6 Å²	87.6	55%	0.545	45%	0.451	S	S	.	.	T	Hydrogen-bonded Turn	trans	-62.3	-19.1	-170.4	-70.9	168.6	0	0	0	112	E126 R290	E126-L292 PolarHBondContact OE1-N 3.04Å; R290-L292 HydrophobicContact CB-CD2 4.22Å; R290-L292 HydrophobicContact CB-CG 4.47Å; R290-L292 PolarHBondContact O-N 3.29Å
293	Y	49	Very low	41.6	Very low	23 Å²	23	87.1 Å²	87.1	9%	0.09	45%	0.449	C	S	.	.	T	Hydrogen-bonded Turn	trans	-120.4	14.7	-171.1	-53	-67.4	0	0	0	114.8	F90 G91 I92 E126 V291 T295	F90-Y293 WeakPolarHBondContact O-CD1 3.49Å; F90-Y293 WeakPolarHBondContact O-CE1 3.32Å; G91-Y293 WeakPolarHBondContact O-CE1 3.4Å; G91-Y293 PolarHBondContact O-OH 2.75Å; I92-Y293 HydrophobicContact CB-CE1 4.45Å; I92-Y293 HydrophobicContact CG1-CD1 3.82Å; I92-Y293 HydrophobicContact CG1-CD2 4.4Å; I92-Y293 HydrophobicContact CG1-CE1 3.52Å; I92-Y293 HydrophobicContact CG1-CE2 4.14Å; I92-Y293 HydrophobicContact CG1-CG 4.25Å; E126-Y293 VanDerWaalsContact OE2-CD2 3.29Å; E126-Y293 WeakPolarHBondContact OE2-CD2 3.21Å; E126-Y293 VanDerWaalsContact OE2-CE2 3.23Å; E126-Y293 WeakPolarHBondContact OE2-CE2 3.41Å; V291-Y293 PolarHBondContact O-N 3.1Å; Y293-T295 PolarHBondContact O-N 3.24Å
294	S	47	Very low	42	Very low	7 Å²	7	87.4 Å²	87.4	5%	0.049	45%	0.452	C	S	.	.			trans	-65.3	123.2	177.9	-170.3	0	0	0	0	111.1	V291 A296 F332	V291-S294 PolarHBondContact O-N 3.39Å; S294-A296 VanDerWaalsContact C-N 3.35Å; S294-A296 PolarHBondContact O-N 3.49Å; S294-F332 WeakPolarHBondContact OG-CD1 3.42Å; S294-F332 WeakPolarHBondContact OG-CE1 3.48Å
295	T	52.8	Low	41.8	Very low	6 Å²	6	83 Å²	83	4%	0.037	44%	0.439	C	S	.	.	S	Bend	trans	-76.8	-13.2	-157.9	-55.2	0	0	0	0	114.7	K161 N181 Y293 S299	K161-T295 WeakPolarHBondContact CE-OG1 3.47Å; N181-T295 PolarHBondContact ND2-OG1 3.49Å; N181-T295 VanDerWaalsContact ND2-OG1 3.12Å; Y293-T295 PolarHBondContact O-N 3.24Å; T295-S299 VanDerWaalsContact O-CB 3.27Å; T295-S299 WeakPolarHBondContact O-CB 3.38Å; T295-S299 PolarHBondContact O-OG 3.25Å
296	A	50.1	Low	42	Very low	2 Å²	2	76.6 Å²	76.6	2%	0.017	44%	0.438	C	S	.	.	T	Hydrogen-bonded Turn	trans	-80.3	-40.8	-155.6	0	0	0	0	0	113.8	S294 G317 I319	S294-A296 VanDerWaalsContact C-N 3.35Å; S294-A296 PolarHBondContact O-N 3.49Å; A296-G317 VanDerWaalsContact CB-O 3.23Å; A296-G317 WeakPolarHBondContact CB-O 3.48Å; A296-G317 PolarHBondContact N-O 3.41Å; A296-I319 HydrophobicContact CB-CD1 3.8Å; A296-I319 HydrophobicContact CB-CG1 3.6Å; A296-I319 WeakPolarHBondContact O-CG1 3.11Å
297	L	45.5	Very low	42.1	Very low	26 Å²	26	73.9 Å²	73.9	14%	0.136	44%	0.437	C	S	.	.	T	Hydrogen-bonded Turn	trans	-82.2	-41.4	-178.4	-89.2	167.8	0	0	0	115.1	S299 I300 Q301 T315 G317 G318	L297-S299 PolarHBondContact O-N 3.36Å; L297-S299 VanDerWaalsContact O-N 3.1Å; L297-I300 PolarHBondContact O-N 2.79Å; L297-Q301 PolarHBondContact O-N 2.98Å; L297-T315 VanDerWaalsContact CD1-CB 3.46Å; L297-T315 HydrophobicContact CD1-CG2 4.17Å; L297-T315 WeakPolarHBondContact CD1-OG1 3.41Å; L297-G317 PolarHBondContact N-O 3.45Å; L297-G317 VanDerWaalsContact N-O 3.17Å; L297-G318 WeakPolarHBondContact CD1-O 3.38Å; L297-G318 WeakPolarHBondContact CG-O 3.42Å
298	E	51.7	Low	41.8	Very low	124 Å²	124	73.6 Å²	73.6	58%	0.579	43%	0.428	S	S	*	.	T	Hydrogen-bonded Turn	trans	-57.5	-26.7	174.8	-63.1	-179.5	160	0	0	111.4	K161 I300	K161-E298 IonicContact NZ-OE2 2.69Å; E298-I300 VanDerWaalsContact C-N 3.34Å; E298-I300 PolarHBondContact O-N 3.46Å
299	S	47.8	Very low	41.7	Very low	3 Å²	3	77 Å²	77	2%	0.021	44%	0.437	C	S	.	.	T	Hydrogen-bonded Turn	trans	-81.3	-0.5	179.5	-60	0	0	0	0	115	R156 T295 L297	R156-S299 VanDerWaalsContact CB-O 3.24Å; R156-S299 WeakPolarHBondContact CB-O 3.48Å; R156-S299 VanDerWaalsContact CD-C 3.45Å; R156-S299 WeakPolarHBondContact CD-O 3.38Å; R156-S299 VanDerWaalsContact O-CB 3.32Å; R156-S299 WeakPolarHBondContact O-CB 3.36Å; R156-S299 PolarHBondContact O-OG 3.44Å; T295-S299 VanDerWaalsContact O-CB 3.27Å; T295-S299 WeakPolarHBondContact O-CB 3.38Å; T295-S299 PolarHBondContact O-OG 3.25Å; L297-S299 PolarHBondContact O-N 3.36Å; L297-S299 VanDerWaalsContact O-N 3.1Å
300	I	48.5	Very low	41.4	Very low	7 Å²	7	75 Å²	75	4%	0.036	43%	0.433	C	S	.	.	T	Hydrogen-bonded Turn	trans	-131.6	-30.7	-171.1	-64.5	-163.7	0	0	0	115.4	R156 T236 N239 L240 L297 E298 I319	R156-I300 VanDerWaalsContact NH1-C 3.35Å; R156-I300 PolarHBondContact NH1-O 3.01Å; T236-I300 HydrophobicContact CG2-CD1 4.17Å; T236-I300 HydrophobicContact CG2-CG2 3.93Å; N239-I300 HydrophobicContact CB-CG2 4.1Å; N239-I300 PolarHBondContact ND2-O 2.96Å; L240-I300 HydrophobicContact CB-CD1 4Å; L240-I300 HydrophobicContact CD1-CD1 4.31Å; L297-I300 PolarHBondContact O-N 2.79Å; E298-I300 VanDerWaalsContact C-N 3.34Å; E298-I300 PolarHBondContact O-N 3.46Å; I300-I319 HydrophobicContact CD1-CB 4.37Å; I300-I319 HydrophobicContact CD1-CD1 3.29Å; I300-I319 HydrophobicContact CD1-CG1 3.6Å; I300-I319 HydrophobicContact CD1-CG2 3.82Å; I300-I319 HydrophobicContact CG1-CD1 4.25Å; I300-I319 HydrophobicContact CG1-CG1 4.39Å
301	Q	43.3	Very low	41	Very low	107 Å²	107	72.6 Å²	72.6	50%	0.5	44%	0.437	S	S	.	.	S	Bend	trans	-76.1	126.5	-172.1	-68.4	-179.2	-8	0	0	113.5	R156 L297	R156-Q301 VanDerWaalsContact NH1-C 3.28Å; R156-Q301 PolarHBondContact NH1-O 3.32Å; R156-Q301 PolarHBondContact NH2-O 3.34Å; L297-Q301 PolarHBondContact O-N 2.98Å
302	G	39.2	Very low	40.7	Very low	41 Å²	41	74.3 Å²	74.3	42%	0.423	45%	0.448	S	S	.	.			trans	-56.9	165.1	-169	0	0	0	0	0	118.5	G304	G302-G304 PolarHBondContact O-N 3.4Å
303	D	40.9	Very low	41	Very low	167 Å²	167	75.4 Å²	75.4	89%	0.893	45%	0.454	S	S	*	.	S	Bend	trans	-70	109.6	177.4	-76.2	-21.5	0	0	0	110.1	R156	R156-D303 IonicContact NH2-OD1 2.72Å
304	G	36.9	Very low	41.1	Very low	72 Å²	72	80.6 Å²	80.6	74%	0.742	48%	0.484	S	S	*	.	S	Bend	trans	-177.1	-18.7	177.3	0	0	0	0	0	117.9	G302	G302-G304 PolarHBondContact O-N 3.4Å
305	K	29.3	Very low	41.7	Very low	146 Å²	146	81.5 Å²	81.5	64%	0.635	49%	0.489	S	S	*	.			trans	-149.2	91.7	169.9	-75	-170.3	171.7	-176.3	0	110.6	A307 E308	K305-A307 PolarHBondContact O-N 3.38Å; K305-E308 HydrophobicContact CD-CB 4.32Å; K305-E308 IonicContact NZ-OE2 2.76Å; K305-E308 PolarHBondContact NZ-OE2 2.96Å
306	A	33.7	Very low	42.3	Very low	106 Å²	106	85.8 Å²	85.8	88%	0.876	51%	0.51	S	S	*	.	T	Hydrogen-bonded Turn	trans	-61.9	127.2	148.2	0	0	0	0	0	106.4
307	A	30.8	Very low	43.5	Very low	101 Å²	101	86.7 Å²	86.7	84%	0.835	52%	0.519	S	S	*	.	T	Hydrogen-bonded Turn	trans	74.2	57.4	-175.6	0	0	0	0	0	116.3	K305	K305-A307 PolarHBondContact O-N 3.38Å
308	E	26.4	Very low	45.3	Very low	120 Å²	120	85.4 Å²	85.4	56%	0.561	51%	0.512	S	S	*	.			trans	-155.8	96	135.9	-111.4	173.3	-179.1	0	0	105.4	K305 V310	K305-E308 HydrophobicContact CD-CB 4.32Å; K305-E308 IonicContact NZ-OE2 2.76Å; K305-E308 PolarHBondContact NZ-OE2 2.96Å; E308-V310 PolarHBondContact O-N 3.47Å
309	V	34.1	Very low	47.1	Very low	128 Å²	128	79.6 Å²	79.6	78%	0.776	49%	0.485	S	S	*	.			trans	-54.8	100.6	161.2	176.3	0	0	0	0	104.2	T311	V309-T311 HydrophobicContact CB-CG2 4.47Å; V309-T311 HydrophobicContact CG1-CG2 3.86Å; V309-T311 PolarHBondContact O-N 2.89Å
310	V	32.5	Very low	49.2	Very low	93 Å²	93	82.3 Å²	82.3	56%	0.564	50%	0.503	S	S	*	.			trans	-67.2	89.4	168.3	173.9	0	0	0	0	104.4	E308 T312	E308-V310 PolarHBondContact O-N 3.47Å; V310-T312 HydrophobicContact CG1-CG2 3.98Å; V310-T312 PolarHBondContact O-N 3.4Å
311	T	34.4	Very low	51.4	Low	113 Å²	113	82.6 Å²	82.6	69%	0.693	51%	0.506	S	S	*	.			trans	-64	74.7	166.9	51.5	0	0	0	0	107.4	V309 D313	V309-T311 HydrophobicContact CB-CG2 4.47Å; V309-T311 HydrophobicContact CG1-CG2 3.86Å; V309-T311 PolarHBondContact O-N 2.89Å; T311-D313 VanDerWaalsContact C-N 3.32Å; T311-D313 PolarHBondContact O-N 3.34Å
312	T	38.5	Very low	53.8	Low	65 Å²	65	80.3 Å²	80.3	40%	0.399	49%	0.494	S	S	.	.			trans	-84.5	93.4	151	50.5	0	0	0	0	105.6	V310 D314 T315	V310-T312 HydrophobicContact CG1-CG2 3.98Å; V310-T312 PolarHBondContact O-N 3.4Å; T312-D314 PolarHBondContact O-N 2.98Å; T312-T315 PolarHBondContact O-N 2.85Å; T312-T315 PolarHBondContact O-OG1 3.07Å
313	D	48.1	Very low	56.4	Low	126 Å²	126	79 Å²	79	67%	0.674	48%	0.478	S	S	*	.	G	3₁₀ helix	trans	-43.8	-23.9	173.3	-126.5	-1.7	0	0	0	111.9	R290 T311 T315	R290-D313 IonicContact NH2-OD1 3.77Å; T311-D313 VanDerWaalsContact C-N 3.32Å; T311-D313 PolarHBondContact O-N 3.34Å; D313-T315 PolarHBondContact O-N 3.32Å
314	D	52.6	Low	58.6	Low	133 Å²	133	76 Å²	76	71%	0.711	46%	0.458	S	S	*	.	G	3₁₀ helix	trans	-74.4	-14.2	-173.7	-58	-21.8	0	0	0	116.4	T312	T312-D314 PolarHBondContact O-N 2.98Å
315	T	58.2	Low	61.1	Low	25 Å²	25	80.3 Å²	80.3	15%	0.153	46%	0.457	C	S	.	.	G	3₁₀ helix	trans	-100.4	-12.7	-168.9	58	0	0	0	0	115.3	L297 T312 D313 G317 G318 P320 L330	L297-T315 VanDerWaalsContact CD1-CB 3.46Å; L297-T315 HydrophobicContact CD1-CG2 4.17Å; L297-T315 WeakPolarHBondContact CD1-OG1 3.41Å; T312-T315 PolarHBondContact O-N 2.85Å; T312-T315 PolarHBondContact O-OG1 3.07Å; D313-T315 PolarHBondContact O-N 3.32Å; T315-G317 PolarHBondContact O-N 2.83Å; T315-G318 PolarHBondContact O-N 2.81Å; T315-P320 HydrophobicContact CG2-CG 4.41Å; T315-L330 HydrophobicContact CG2-CD2 4.47Å; T315-L330 WeakPolarHBondContact O-CD1 3.44Å
316	M	66.9	Low	63.8	Low	97 Å²	97	78.1 Å²	78.1	48%	0.478	45%	0.452	S	S	.	.	T	Hydrogen-bonded Turn	trans	47.8	26.2	179.9	-49.8	-174.6	90.5	0	0	114.6	V188 F332	V188-M316 HydrophobicContact CG1-SD 4.43Å; V188-M316 HydrophobicContact CG2-CB 3.99Å; V188-M316 HydrophobicContact CG2-CE 3.98Å; V188-M316 HydrophobicContact CG2-SD 3.83Å; M316-F332 HydrophobicContact CB-CZ 4.48Å; M316-F332 WeakPolarHBondContact O-CE1 3.25Å
317	G	73.8	Confident	66.5	Low	20 Å²	20	76.9 Å²	76.9	21%	0.206	43%	0.428	C	S	.	.	T	Hydrogen-bonded Turn	trans	82.2	3.5	-176.8	0	0	0	0	0	116.1	A296 L297 T315	A296-G317 VanDerWaalsContact CB-O 3.23Å; A296-G317 WeakPolarHBondContact CB-O 3.48Å; A296-G317 PolarHBondContact N-O 3.41Å; L297-G317 PolarHBondContact N-O 3.45Å; L297-G317 VanDerWaalsContact N-O 3.17Å; T315-G317 PolarHBondContact O-N 2.83Å
318	G	83.6	Confident	69.5	Low	0 Å²	0	78 Å²	78	0%	0	41%	0.414	C	S	.	.	P	Polyproline II helix	trans	-92.5	153	180	0	0	0	0	0	114.2	L297 T315 P320	L297-G318 WeakPolarHBondContact CD1-O 3.38Å; L297-G318 WeakPolarHBondContact CG-O 3.42Å; T315-G318 PolarHBondContact O-N 2.81Å; G318-P320 WeakPolarHBondContact O-CD 3.44Å
319	I	90.4	Very high	72.8	Confident	1 Å²	1	72.5 Å²	72.5	1%	0.005	39%	0.388	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-81.5	122.9	-179.9	-55.9	155.3	0	0	0	109.5	F232 T236 A296 I300 A321 I331 L333	F232-I319 HydrophobicContact CD1-CG2 3.83Å; F232-I319 HydrophobicContact CE1-CB 4.33Å; F232-I319 HydrophobicContact CE1-CG2 3.63Å; T236-I319 HydrophobicContact CG2-CG2 3.44Å; T236-I319 VanDerWaalsContact CG2-CG2 3.44Å; A296-I319 HydrophobicContact CB-CD1 3.8Å; A296-I319 HydrophobicContact CB-CG1 3.6Å; A296-I319 WeakPolarHBondContact O-CG1 3.11Å; I300-I319 HydrophobicContact CD1-CB 4.37Å; I300-I319 HydrophobicContact CD1-CD1 3.29Å; I300-I319 HydrophobicContact CD1-CG1 3.6Å; I300-I319 HydrophobicContact CD1-CG2 3.82Å; I300-I319 HydrophobicContact CG1-CD1 4.25Å; I300-I319 HydrophobicContact CG1-CG1 4.39Å; I319-A321 PolarHBondContact O-N 3.11Å; I319-I331 HydrophobicContact CB-CB 4.3Å; I319-I331 PolarHBondContact N-O 3.06Å; I319-I331 WeakPolarHBondContact O-CB 3.32Å; I319-I331 PolarHBondContact O-N 3.24Å; I319-L333 HydrophobicContact CD1-CD2 4Å; I319-L333 HydrophobicContact CD1-CG 4.12Å
320	P	92.3	Very high	75.6	Confident	61 Å²	61	66.6 Å²	66.6	40%	0.396	35%	0.352	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-61.3	131.4	175.5	-23.5	34.4	0	0	0	112	F232 T315 G318	F232-P320 WeakPolarHBondContact CD1-O 3.48Å; T315-P320 HydrophobicContact CG2-CG 4.41Å; G318-P320 WeakPolarHBondContact O-CD 3.44Å
321	A	94.3	Very high	78.6	Confident	12 Å²	12	62.1 Å²	62.1	10%	0.099	33%	0.325	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-144	178.9	173.5	0	0	0	0	0	110	Y231 F232 I319 L329 I331	Y231-A321 CarbonylContact O-C 3.5Å; Y231-A321 VanDerWaalsContact O-CA 3.3Å; Y231-A321 WeakPolarHBondContact O-CA 3.45Å; Y231-A321 WeakPolarHBondContact O-CB 3.12Å; F232-A321 HydrophobicContact CD1-CB 3.84Å; F232-A321 HydrophobicContact CE1-CB 3.57Å; F232-A321 HydrophobicContact CE2-CB 4.27Å; F232-A321 HydrophobicContact CG-CB 4.37Å; F232-A321 HydrophobicContact CZ-CB 3.8Å; I319-A321 PolarHBondContact O-N 3.11Å; A321-L329 HydrophobicContact CB-CB 4.24Å; A321-L329 PolarHBondContact N-O 3.21Å; A321-L329 PolarHBondContact O-N 2.9Å; A321-I331 HydrophobicContact CB-CD1 4.19Å; A321-I331 HydrophobicContact CB-CG1 3.48Å; A321-I331 VanDerWaalsContact CB-CG1 3.48Å
322	K	94.3	Very high	81.4	Confident	60 Å²	60	56.8 Å²	56.8	26%	0.261	29%	0.292	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-145.5	160	171.4	63.1	-177.5	-171.1	163.7	0	112.6	Y231 D326 E327 N386	Y231-K322 WeakPolarHBondContact CB-O 3.36Å; Y231-K322 PolarHBondContact N-O 3.37Å; Y231-K322 PolarHBondContact O-N 3.4Å; K322-D326 WeakPolarHBondContact CD-OD1 3.24Å; K322-D326 WeakPolarHBondContact CE-OD1 3.46Å; K322-D326 IonicContact NZ-OD1 3.94Å; K322-D326 PolarHBondContact NZ-OD1 3.05Å; K322-E327 CarbonylContact C-O 3.54Å; K322-E327 WeakPolarHBondContact CA-O 3.33Å; K322-E327 WeakPolarHBondContact CB-O 3.41Å; K322-N386 VanDerWaalsContact CE-CG 3.45Å; K322-N386 WeakPolarHBondContact CE-ND2 3.18Å; K322-N386 WeakPolarHBondContact CE-OD1 3.21Å
323	T	92.6	Very high	84.1	Confident	12 Å²	12	53.8 Å²	53.8	7%	0.074	27%	0.274	C	S	.	.			trans	-79.7	172.7	167.5	71.1	0	0	0	0	110.8	K325 D326 E327 L329	T323-K325 PolarHBondContact O-N 2.86Å; T323-K325 VanDerWaalsContact O-N 3.15Å; T323-K325 PolarHBondContact OG1-N 2.89Å; T323-D326 PolarHBondContact O-N 2.89Å; T323-D326 VanDerWaalsContact O-N 3.11Å; T323-E327 HydrophobicContact CG2-CB 4.05Å; T323-E327 WeakPolarHBondContact CG2-OE2 3.28Å; T323-E327 PolarHBondContact N-O 3.42Å; T323-E327 WeakPolarHBondContact OG1-CB 3.3Å; T323-E327 PolarHBondContact OG1-N 2.82Å; T323-L329 HydrophobicContact CG2-CD1 3.8Å; T323-L329 HydrophobicContact CG2-CD2 4.13Å; T323-L329 HydrophobicContact CG2-CG 4.22Å
324	H	87.8	Confident	86.4	Confident	104 Å²	104	47.9 Å²	47.9	48%	0.481	24%	0.243	S	C	.	.	T	Hydrogen-bonded Turn	trans	-61.3	-16	171	73	-86	0	0	0	113.7	E228 Y231	E228-H324 HydrophobicContact CB-CB 3.74Å; E228-H324 HydrophobicContact CG-CB 3.98Å; Y231-H324 HydrophobicContact CE2-CB 3.91Å
325	K	87.9	Confident	88.6	Confident	164 Å²	164	41.6 Å²	41.6	71%	0.713	21%	0.209	S	C	*	.	T	Hydrogen-bonded Turn	trans	-97.3	16.1	177.2	-56.1	-174.3	178.9	176.7	0	112.8	T323 E327	T323-K325 PolarHBondContact O-N 2.86Å; T323-K325 VanDerWaalsContact O-N 3.15Å; T323-K325 PolarHBondContact OG1-N 2.89Å; K325-E327 PolarHBondContact O-N 2.89Å; K325-E327 VanDerWaalsContact O-N 3.16Å
326	D	86.5	Confident	90.3	Very high	99 Å²	99	41.5 Å²	41.5	53%	0.529	21%	0.207	S	C	.	.			trans	60.6	17.4	-177.4	-70.3	-47.2	0	0	0	115.5	K322 T323 K328	K322-D326 WeakPolarHBondContact CD-OD1 3.24Å; K322-D326 WeakPolarHBondContact CE-OD1 3.46Å; K322-D326 IonicContact NZ-OD1 3.94Å; K322-D326 PolarHBondContact NZ-OD1 3.05Å; T323-D326 PolarHBondContact O-N 2.89Å; T323-D326 VanDerWaalsContact O-N 3.11Å; D326-K328 PolarHBondContact O-N 2.81Å
327	E	91.4	Very high	91.4	Very high	80 Å²	80	39.8 Å²	39.8	37%	0.374	20%	0.2	S	C	.	.			trans	-67.5	125.2	169.1	-176.7	-179.1	-133.3	0	0	109.4	V267 K322 T323 K325 L329	V267-E327 VanDerWaalsContact CG1-CD 3.47Å; V267-E327 HydrophobicContact CG1-CG 3.82Å; V267-E327 WeakPolarHBondContact CG1-OE1 3.23Å; K322-E327 CarbonylContact C-O 3.54Å; K322-E327 WeakPolarHBondContact CA-O 3.33Å; K322-E327 WeakPolarHBondContact CB-O 3.41Å; T323-E327 HydrophobicContact CG2-CB 4.05Å; T323-E327 WeakPolarHBondContact CG2-OE2 3.28Å; T323-E327 PolarHBondContact N-O 3.42Å; T323-E327 WeakPolarHBondContact OG1-CB 3.3Å; T323-E327 PolarHBondContact OG1-N 2.82Å; K325-E327 PolarHBondContact O-N 2.89Å; K325-E327 VanDerWaalsContact O-N 3.16Å; E327-L329 HydrophobicContact CG-CD2 4.42Å
328	K	93.7	Very high	92.4	Very high	126 Å²	126	39 Å²	39	55%	0.548	19%	0.191	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-77.7	136	-176.4	-60.1	-176.5	-178.2	177.1	0	110.9	L268 D326	L268-K328 HydrophobicContact CB-CB 4.18Å; L268-K328 HydrophobicContact CD1-CB 3.92Å; L268-K328 PolarHBondContact N-O 2.97Å; D326-K328 PolarHBondContact O-N 2.81Å
329	L	94.4	Very high	92.7	Very high	3 Å²	3	39.8 Å²	39.8	2%	0.016	20%	0.196	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-128.7	150.7	-176.8	-51.1	175.5	0	0	0	110.8	L230 V265 H266 V267 A321 T323 E327 I331	L230-L329 HydrophobicContact CD2-CD1 3.71Å; V265-L329 HydrophobicContact CG1-CB 4.45Å; V265-L329 HydrophobicContact CG1-CD1 4.06Å; V265-L329 HydrophobicContact CG1-CD2 4.03Å; V265-L329 HydrophobicContact CG1-CG 4.42Å; H266-L329 CarbonylContact O-C 3.49Å; H266-L329 VanDerWaalsContact O-CA 3.29Å; H266-L329 WeakPolarHBondContact O-CA 3.34Å; V267-L329 HydrophobicContact CB-CD2 4.25Å; V267-L329 HydrophobicContact CG1-CD2 4.45Å; V267-L329 HydrophobicContact CG2-CD2 3.77Å; A321-L329 HydrophobicContact CB-CB 4.24Å; A321-L329 PolarHBondContact N-O 3.21Å; A321-L329 PolarHBondContact O-N 2.9Å; T323-L329 HydrophobicContact CG2-CD1 3.8Å; T323-L329 HydrophobicContact CG2-CD2 4.13Å; T323-L329 HydrophobicContact CG2-CG 4.22Å; E327-L329 HydrophobicContact CG-CD2 4.42Å; L329-I331 HydrophobicContact CB-CD1 4.07Å; L329-I331 HydrophobicContact CD1-CD1 4.29Å
330	L	93.9	Very high	92.1	Very high	4 Å²	4	43.8 Å²	43.8	2%	0.021	21%	0.214	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-111.2	126.9	160.5	-64.6	176.2	0	0	0	109.2	H266 L268 T315 F332	H266-L330 HydrophobicContact CB-CB 4.21Å; H266-L330 PolarHBondContact N-O 3.27Å; H266-L330 PolarHBondContact O-N 3.23Å; L268-L330 HydrophobicContact CD1-CD2 4.46Å; L268-L330 HydrophobicContact CD1-CG 4.08Å; L268-L330 HydrophobicContact CD2-CD1 3.86Å; L268-L330 HydrophobicContact CD2-CG 4.1Å; L268-L330 HydrophobicContact CG-CD1 4.47Å; L268-L330 HydrophobicContact CG-CG 4.17Å; T315-L330 HydrophobicContact CG2-CD2 4.47Å; T315-L330 WeakPolarHBondContact O-CD1 3.44Å; L330-F332 HydrophobicContact CB-CE2 4.03Å
331	I	94.5	Very high	91.2	Very high	0 Å²	0	41.3 Å²	41.3	0%	0	20%	0.198	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-108.7	127.9	-174.8	-55.5	-57.7	0	0	0	110.4	L230 F232 L263 V265 I319 A321 L329 L333	L230-I331 HydrophobicContact CD1-CD1 3.91Å; F232-I331 HydrophobicContact CE1-CB 4.36Å; F232-I331 HydrophobicContact CE1-CG1 4.07Å; F232-I331 HydrophobicContact CZ-CB 4.36Å; F232-I331 HydrophobicContact CZ-CG1 3.91Å; F232-I331 HydrophobicContact CZ-CG2 4.36Å; L263-I331 HydrophobicContact CD1-CG2 3.37Å; V265-I331 HydrophobicContact CB-CD1 4.25Å; V265-I331 HydrophobicContact CG1-CD1 3.92Å; V265-I331 HydrophobicContact CG2-CD1 3.98Å; I319-I331 HydrophobicContact CB-CB 4.3Å; I319-I331 PolarHBondContact N-O 3.06Å; I319-I331 WeakPolarHBondContact O-CB 3.32Å; I319-I331 PolarHBondContact O-N 3.24Å; A321-I331 HydrophobicContact CB-CD1 4.19Å; A321-I331 HydrophobicContact CB-CG1 3.48Å; A321-I331 VanDerWaalsContact CB-CG1 3.48Å; L329-I331 HydrophobicContact CB-CD1 4.07Å; L329-I331 HydrophobicContact CD1-CD1 4.29Å; I331-L333 HydrophobicContact CG2-CD2 3.89Å
332	F	94.3	Very high	89.8	Confident	0 Å²	0	41.4 Å²	41.4	0%	0	20%	0.196	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-116	126.4	174.1	-64	-97.8	0	0	0	108.1	L184 P185 V188 M190 L263 G264 H266 S294 M316 L330	L184-F332 HydrophobicContact CD2-CB 3.9Å; P185-F332 HydrophobicContact CG-CD1 4.5Å; P185-F332 HydrophobicContact CG-CE1 4.4Å; V188-F332 HydrophobicContact CB-CZ 4.49Å; V188-F332 HydrophobicContact CG1-CE2 3.96Å; V188-F332 HydrophobicContact CG1-CZ 4.21Å; V188-F332 HydrophobicContact CG2-CZ 4.09Å; M190-F332 HydrophobicContact CE-CD2 3.58Å; M190-F332 HydrophobicContact CE-CE2 3.86Å; M190-F332 HydrophobicContact CE-CG 4.09Å; M190-F332 HydrophobicContact SD-CD2 4.11Å; L263-F332 CarbonylContact C-O 3.51Å; G264-F332 PolarHBondContact N-O 3.44Å; G264-F332 PolarHBondContact O-N 3.03Å; H266-F332 HydrophobicContact CB-CE2 4.5Å; S294-F332 WeakPolarHBondContact OG-CD1 3.42Å; S294-F332 WeakPolarHBondContact OG-CE1 3.48Å; M316-F332 HydrophobicContact CB-CZ 4.48Å; M316-F332 WeakPolarHBondContact O-CE1 3.25Å; L330-F332 HydrophobicContact CB-CE2 4.03Å
333	L	95.6	Very high	88.2	Confident	2 Å²	2	47.7 Å²	47.7	1%	0.01	22%	0.218	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-147.8	155.5	-175.6	61.7	84.8	0	0	0	112.9	L158 L240 L261 L262 L263 I319 I331 F383	L158-L333 HydrophobicContact CD1-CD1 3.45Å; L158-L333 VanDerWaalsContact CD1-CD1 3.45Å; L158-L333 HydrophobicContact CD2-CD1 3.48Å; L158-L333 VanDerWaalsContact CD2-CD1 3.48Å; L158-L333 HydrophobicContact CG-CD1 4.02Å; L240-L333 HydrophobicContact CD1-CD1 3.94Å; L240-L333 HydrophobicContact CD1-CD2 3.96Å; L240-L333 HydrophobicContact CD2-CD2 4.15Å; L261-L333 HydrophobicContact CD1-CB 4.38Å; L261-L333 HydrophobicContact CD1-CD1 4.26Å; L262-L333 WeakPolarHBondContact O-CA 3.2Å; L263-L333 HydrophobicContact CD1-CB 4Å; L263-L333 HydrophobicContact CD1-CD2 4.34Å; I319-L333 HydrophobicContact CD1-CD2 4Å; I319-L333 HydrophobicContact CD1-CG 4.12Å; I331-L333 HydrophobicContact CG2-CD2 3.89Å; L333-F383 HydrophobicContact CD2-CE1 4.28Å; L333-F383 HydrophobicContact CD2-CE2 4.4Å; L333-F383 HydrophobicContact CD2-CZ 3.69Å
334	G	96.3	Very high	86.6	Confident	2 Å²	2	49.6 Å²	49.6	2%	0.021	23%	0.226	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-170.7	148.5	175.5	0	0	0	0	0	111.2	L262	L262-G334 PolarHBondContact N-O 3.26Å; L262-G334 PolarHBondContact O-N 2.96Å
335	I	97	Very high	85.2	Confident	1 Å²	1	49.2 Å²	49.2	1%	0.005	23%	0.225	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-77.1	131.6	173.5	-59.7	176.4	0	0	0	108.4	L158 L159 P160 L244 D247 L251 Y259 S260 L261 I338 F374	L158-I335 HydrophobicContact CB-CD1 4.46Å; L158-I335 HydrophobicContact CB-CG1 4.2Å; L158-I335 PolarHBondContact O-N 2.84Å; L159-I335 HydrophobicContact CD2-CB 4.41Å; L159-I335 HydrophobicContact CD2-CD1 4.18Å; L159-I335 HydrophobicContact CD2-CG2 4.49Å; P160-I335 WeakPolarHBondContact CD-O 3.24Å; P160-I335 VanDerWaalsContact CG-O 3.28Å; P160-I335 WeakPolarHBondContact CG-O 3.43Å; L244-I335 HydrophobicContact CD2-CD1 4.28Å; D247-I335 HydrophobicContact CB-CD1 3.9Å; L251-I335 HydrophobicContact CD1-CD1 4.07Å; L251-I335 HydrophobicContact CD1-CG2 4.04Å; Y259-I335 HydrophobicContact CD2-CG2 3.93Å; Y259-I335 HydrophobicContact CG-CG2 4.22Å; S260-I335 CarbonylContact O-C 3.55Å; S260-I335 VanDerWaalsContact O-CA 3.32Å; S260-I335 WeakPolarHBondContact O-CA 3.26Å; L261-I335 HydrophobicContact CD1-CG1 4.09Å; I335-I338 HydrophobicContact CG2-CG2 3.64Å; I335-F374 HydrophobicContact CG1-CZ 4.49Å
336	I	94.4	Very high	83.8	Confident	23 Å²	23	42.5 Å²	42.5	12%	0.118	20%	0.196	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-123.3	166.4	-178.6	62.7	161.7	0	0	0	111.9	V183 Y259 S260 L262 I338	V183-I336 HydrophobicContact CG2-CG2 4.48Å; Y259-I336 WeakPolarHBondContact CA-O 3.26Å; Y259-I336 WeakPolarHBondContact CB-O 3.43Å; S260-I336 PolarHBondContact N-O 3.33Å; S260-I336 PolarHBondContact O-N 3.44Å; L262-I336 HydrophobicContact CB-CD1 3.96Å; L262-I336 HydrophobicContact CB-CG1 4.09Å; L262-I336 HydrophobicContact CB-CG2 3.81Å; L262-I336 HydrophobicContact CD2-CD1 4.42Å; L262-I336 HydrophobicContact CD2-CG2 4.13Å; I336-I338 PolarHBondContact O-N 2.92Å
337	D	90.4	Very high	82.5	Confident	61 Å²	61	44.7 Å²	44.7	33%	0.326	20%	0.201	S	C	.	.			trans	59	40.6	175.6	-71.7	-17	0	0	0	115.3	K130 L339	K130-D337 IonicContact NZ-OD1 3.8Å; K130-D337 PolarHBondContact NZ-OD1 2.9Å; D337-L339 VanDerWaalsContact C-N 3.32Å; D337-L339 PolarHBondContact O-N 3.1Å
338	I	94.1	Very high	80.9	Confident	3 Å²	3	46 Å²	46	2%	0.015	21%	0.21	C	C	.	.	T	Hydrogen-bonded Turn	trans	-82.6	2.7	-177.2	70.5	160.5	0	0	0	115.1	L143 L159 P160 F162 L251 I256 I335 I336 Q340	L143-I338 HydrophobicContact CD2-CD1 4.18Å; L159-I338 HydrophobicContact CD2-CD1 4.5Å; P160-I338 HydrophobicContact CG-CD1 4.21Å; P160-I338 HydrophobicContact CG-CG1 4.05Å; F162-I338 HydrophobicContact CE2-CD1 3.96Å; F162-I338 HydrophobicContact CZ-CD1 3.98Å; F162-I338 HydrophobicContact CZ-CG1 4.03Å; L251-I338 HydrophobicContact CD2-CB 3.82Å; L251-I338 HydrophobicContact CD2-CD1 4.37Å; L251-I338 HydrophobicContact CD2-CG2 3.72Å; I256-I338 WeakPolarHBondContact CD1-O 3.45Å; I256-I338 HydrophobicContact CG2-CB 4.24Å; I256-I338 WeakPolarHBondContact CG2-O 3.48Å; I335-I338 HydrophobicContact CG2-CG2 3.64Å; I336-I338 PolarHBondContact O-N 2.92Å; I338-Q340 VanDerWaalsContact C-N 3.3Å; I338-Q340 PolarHBondContact O-N 3.36Å
339	L	89.9	Confident	79.2	Confident	18 Å²	18	42.9 Å²	42.9	9%	0.094	20%	0.197	C	C	.	.	T	Hydrogen-bonded Turn	trans	-87.6	3.1	-175.5	-59.5	-174.8	0	0	0	114	V132 E136 F139 L140 F162 V178 D337	V132-L339 HydrophobicContact CG1-CD1 4.02Å; E136-L339 HydrophobicContact CB-CB 3.99Å; E136-L339 HydrophobicContact CB-CD1 4.34Å; E136-L339 HydrophobicContact CG-CB 4.16Å; F139-L339 HydrophobicContact CD1-CD2 4.43Å; F139-L339 WeakPolarHBondContact CD1-O 3.49Å; L140-L339 HydrophobicContact CB-CD2 3.88Å; L140-L339 HydrophobicContact CD1-CD2 4.03Å; L140-L339 HydrophobicContact CD2-CD1 4.48Å; L140-L339 HydrophobicContact CG-CD2 4.36Å; F162-L339 HydrophobicContact CZ-CD2 4Å; V178-L339 HydrophobicContact CG2-CD1 4.4Å; D337-L339 VanDerWaalsContact C-N 3.32Å; D337-L339 PolarHBondContact O-N 3.1Å
340	Q	77.6	Confident	77.3	Confident	85 Å²	85	45.7 Å²	45.7	40%	0.397	21%	0.21	S	C	.	.			trans	-94.6	97.7	178	-61.9	-172.4	-9.3	0	0	110.6	M257 I338	M257-Q340 PolarHBondContact N-O 2.87Å; I338-Q340 VanDerWaalsContact C-N 3.3Å; I338-Q340 PolarHBondContact O-N 3.36Å
341	S	73.7	Confident	75.6	Confident	9 Å²	9	49.4 Å²	49.4	6%	0.063	24%	0.236	C	C	.	.	B	Isolated β-bridge	trans	-91.2	129.5	177.7	167.5	0	0	0	0	112.6	F139 R343 F344 M345	F139-S341 VanDerWaalsContact CE2-CB 3.44Å; S341-R343 PolarHBondContact O-N 3.11Å; S341-F344 PolarHBondContact O-N 3.1Å; S341-F344 VanDerWaalsContact O-N 3.15Å; S341-M345 PolarHBondContact O-N 3.3Å
342	Y	65.3	Low	73.6	Confident	14 Å²	14	58.4 Å²	58.4	6%	0.055	27%	0.27	C	S	.	.	H	α-helix	trans	-60.4	-32.2	-179.8	-178.7	-122.1	0	0	0	112.6	K255 M257 F344 M345 K346 R366 P367	K255-Y342 VanDerWaalsContact O-CB 3.24Å; K255-Y342 WeakPolarHBondContact O-CB 3.38Å; K255-Y342 PolarHBondContact O-N 3.01Å; M257-Y342 HydrophobicContact CE-CD1 4.43Å; M257-Y342 HydrophobicContact CE-CD2 3.1Å; M257-Y342 HydrophobicContact CE-CE2 3.74Å; M257-Y342 HydrophobicContact CE-CG 3.52Å; M257-Y342 HydrophobicContact SD-CD1 4.48Å; M257-Y342 HydrophobicContact SD-CD2 4.13Å; M257-Y342 HydrophobicContact SD-CG 3.99Å; Y342-F344 PolarHBondContact O-N 3.16Å; Y342-M345 HydrophobicContact CD2-CB 4.28Å; Y342-M345 WeakPolarHBondContact O-CB 3.36Å; Y342-M345 PolarHBondContact O-N 3.18Å; Y342-M345 VanDerWaalsContact O-N 3.1Å; Y342-K346 HydrophobicContact CD1-CG 4.05Å; Y342-K346 HydrophobicContact CD2-CG 4.36Å; Y342-K346 HydrophobicContact CE1-CD 4.23Å; Y342-K346 HydrophobicContact CE1-CG 3.47Å; Y342-K346 VanDerWaalsContact CE1-CG 3.47Å; Y342-K346 HydrophobicContact CE2-CG 3.82Å; Y342-K346 HydrophobicContact CG-CG 4.47Å; Y342-K346 WeakPolarHBondContact O-CB 3.4Å; Y342-K346 PolarHBondContact O-N 3.33Å; Y342-K346 WeakPolarHBondContact OH-CE 3.25Å; Y342-K346 WeakPolarHBondContact OH-CG 3.36Å; Y342-R366 HydrophobicContact CE1-CB 4.04Å; Y342-R366 HydrophobicContact CE1-CG 4.32Å; Y342-R366 WeakPolarHBondContact OH-CD 2.9Å; Y342-R366 PolarHBondContact OH-NE 2.96Å; Y342-R366 VanDerWaalsContact OH-NE 3.14Å; Y342-R366 PolarHBondContact OH-NH1 3.4Å; Y342-P367 HydrophobicContact CD1-CG 4.13Å
343	R	61.7	Low	71.5	Confident	192 Å²	192	62.7 Å²	62.7	73%	0.725	29%	0.289	S	S	*	.	H	α-helix	trans	-57.4	-35.1	177.7	-171.7	176.3	-179.9	-177.3	1.5	111.7	S341 K347	S341-R343 PolarHBondContact O-N 3.11Å; R343-K347 WeakPolarHBondContact O-CB 3.44Å; R343-K347 PolarHBondContact O-N 3.42Å
344	F	59.1	Low	69.3	Low	52 Å²	52	66.8 Å²	66.8	23%	0.228	32%	0.323	C	S	.	.	H	α-helix	trans	-77.5	-37.5	177.2	-62.4	-73.6	0	0	0	112.6	F139 S341 Y342 K346 K347 L348	F139-F344 HydrophobicContact CB-CE2 4Å; F139-F344 AromaticContact CD2-CE2 3.68Å; F139-F344 HydrophobicContact CD2-CE2 3.68Å; F139-F344 HydrophobicContact CD2-CZ 4.49Å; F139-F344 HydrophobicContact CG-CE2 4.09Å; S341-F344 PolarHBondContact O-N 3.1Å; S341-F344 VanDerWaalsContact O-N 3.15Å; Y342-F344 PolarHBondContact O-N 3.16Å; F344-K346 VanDerWaalsContact C-N 3.32Å; F344-K347 PolarHBondContact O-N 2.92Å; F344-L348 PolarHBondContact O-N 3.27Å
345	M	58.3	Low	67.2	Low	95 Å²	95	73.4 Å²	73.4	47%	0.468	36%	0.358	S	S	.	.	H	α-helix	trans	-60.6	-45.5	172.2	-70.7	-61.8	-66.4	0	0	110.7	S341 Y342 K347 L348 E349	S341-M345 PolarHBondContact O-N 3.3Å; Y342-M345 HydrophobicContact CD2-CB 4.28Å; Y342-M345 WeakPolarHBondContact O-CB 3.36Å; Y342-M345 PolarHBondContact O-N 3.18Å; Y342-M345 VanDerWaalsContact O-N 3.1Å; M345-K347 PolarHBondContact O-N 3.02Å; M345-L348 WeakPolarHBondContact O-CB 3.24Å; M345-L348 PolarHBondContact O-N 3.5Å; M345-E349 PolarHBondContact O-N 3.29Å
346	K	58.5	Low	64.8	Low	23 Å²	23	77.9 Å²	77.9	10%	0.1	38%	0.384	C	S	.	.	H	α-helix	trans	-58.4	-44.4	170.9	-93.2	-95.6	-176.6	170.7	0	112	Y342 F344 L348 E349 H350	Y342-K346 HydrophobicContact CD1-CG 4.05Å; Y342-K346 HydrophobicContact CD2-CG 4.36Å; Y342-K346 HydrophobicContact CE1-CD 4.23Å; Y342-K346 HydrophobicContact CE1-CG 3.47Å; Y342-K346 VanDerWaalsContact CE1-CG 3.47Å; Y342-K346 HydrophobicContact CE2-CG 3.82Å; Y342-K346 HydrophobicContact CG-CG 4.47Å; Y342-K346 WeakPolarHBondContact O-CB 3.4Å; Y342-K346 PolarHBondContact O-N 3.33Å; Y342-K346 WeakPolarHBondContact OH-CE 3.25Å; Y342-K346 WeakPolarHBondContact OH-CG 3.36Å; F344-K346 VanDerWaalsContact C-N 3.32Å; K346-L348 VanDerWaalsContact C-N 3.3Å; K346-L348 PolarHBondContact O-N 3.34Å; K346-E349 CarbonylContact O-C 3.53Å; K346-E349 PolarHBondContact O-N 3.42Å; K346-H350 VanDerWaalsContact CD-NE2 3.32Å; K346-H350 WeakPolarHBondContact CD-NE2 3.21Å; K346-H350 PolarHBondContact NZ-NE2 2.82Å; K346-H350 VanDerWaalsContact O-CB 3.26Å; K346-H350 WeakPolarHBondContact O-CB 3.39Å; K346-H350 PolarHBondContact O-CD2 3.19Å; K346-H350 PolarHBondContact O-N 3.24Å
347	K	58	Low	61.9	Low	145 Å²	145	87 Å²	87	63%	0.63	42%	0.419	S	S	*	.	H	α-helix	trans	-61.8	-39.3	177.4	-166.5	178.2	-179.7	-179.6	0	111.7	R343 F344 M345 H350 S351	R343-K347 WeakPolarHBondContact O-CB 3.44Å; R343-K347 PolarHBondContact O-N 3.42Å; F344-K347 PolarHBondContact O-N 2.92Å; M345-K347 PolarHBondContact O-N 3.02Å; K347-H350 PolarHBondContact O-N 3.48Å; K347-S351 WeakPolarHBondContact O-CB 3.44Å; K347-S351 PolarHBondContact O-N 3.15Å; K347-S351 PolarHBondContact O-OG 3.2Å; K347-S351 VanDerWaalsContact O-OG 3.05Å
348	L	58.8	Low	59.6	Low	107 Å²	107	90.2 Å²	90.2	56%	0.56	44%	0.436	S	S	*	.	H	α-helix	trans	-64.2	-47.9	172	-83.4	153.8	0	0	0	111.6	F344 M345 K346 H350 S351 W352	F344-L348 PolarHBondContact O-N 3.27Å; M345-L348 WeakPolarHBondContact O-CB 3.24Å; M345-L348 PolarHBondContact O-N 3.5Å; K346-L348 VanDerWaalsContact C-N 3.3Å; K346-L348 PolarHBondContact O-N 3.34Å; L348-H350 VanDerWaalsContact C-N 3.32Å; L348-H350 PolarHBondContact O-N 3.1Å; L348-S351 PolarHBondContact O-N 2.91Å; L348-W352 WeakPolarHBondContact O-CB 3.41Å; L348-W352 PolarHBondContact O-N 3.26Å
349	E	58.1	Low	57.2	Low	61 Å²	61	92.8 Å²	92.8	29%	0.285	46%	0.464	S	S	.	.	H	α-helix	trans	-60.1	-40.2	174.8	-77.6	-176	-165.8	0	0	111.8	M345 K346 W352 K353 R366	M345-E349 PolarHBondContact O-N 3.29Å; K346-E349 CarbonylContact O-C 3.53Å; K346-E349 PolarHBondContact O-N 3.42Å; E349-W352 CarbonylContact O-C 3.56Å; E349-W352 PolarHBondContact O-N 3.22Å; E349-K353 WeakPolarHBondContact O-CB 3.37Å; E349-K353 WeakPolarHBondContact O-CG 3.49Å; E349-K353 PolarHBondContact O-N 2.8Å; E349-K353 IonicContact OE2-NZ 2.8Å; E349-R366 IonicContact OE1-NH1 3.19Å; E349-R366 IonicContact OE2-NH1 2.66Å
350	H	54.8	Low	55.2	Low	62 Å²	62	98 Å²	98	29%	0.287	49%	0.492	S	S	.	.	H	α-helix	trans	-74.1	-35.1	178.7	-80.4	-73.8	0	0	0	111.4	K346 K347 L348 W352 K353 A354	K346-H350 VanDerWaalsContact CD-NE2 3.32Å; K346-H350 WeakPolarHBondContact CD-NE2 3.21Å; K346-H350 PolarHBondContact NZ-NE2 2.82Å; K346-H350 VanDerWaalsContact O-CB 3.26Å; K346-H350 WeakPolarHBondContact O-CB 3.39Å; K346-H350 PolarHBondContact O-CD2 3.19Å; K346-H350 PolarHBondContact O-N 3.24Å; K347-H350 PolarHBondContact O-N 3.48Å; L348-H350 VanDerWaalsContact C-N 3.32Å; L348-H350 PolarHBondContact O-N 3.1Å; H350-W352 VanDerWaalsContact C-N 3.27Å; H350-W352 PolarHBondContact O-N 2.9Å; H350-K353 PolarHBondContact O-N 3.14Å; H350-A354 WeakPolarHBondContact O-CA 3.34Å; H350-A354 WeakPolarHBondContact O-CB 3.4Å; H350-A354 PolarHBondContact O-N 2.82Å
351	S	57.4	Low	53.4	Low	82 Å²	82	99 Å²	99	57%	0.573	51%	0.508	S	S	*	.	H	α-helix	trans	-65	-34.7	170.7	-68.5	0	0	0	0	111.7	K347 L348	K347-S351 WeakPolarHBondContact O-CB 3.44Å; K347-S351 PolarHBondContact O-N 3.15Å; K347-S351 PolarHBondContact O-OG 3.2Å; K347-S351 VanDerWaalsContact O-OG 3.05Å; L348-S351 PolarHBondContact O-N 2.91Å
352	W	53.5	Low	52	Low	189 Å²	189	103 Å²	103	72%	0.716	53%	0.532	S	S	*	.	H	α-helix	trans	-75.3	-38.8	173.1	-173	-83.6	0	0	0	112.8	L348 E349 H350 L355	L348-W352 WeakPolarHBondContact O-CB 3.41Å; L348-W352 PolarHBondContact O-N 3.26Å; E349-W352 CarbonylContact O-C 3.56Å; E349-W352 PolarHBondContact O-N 3.22Å; H350-W352 VanDerWaalsContact C-N 3.27Å; H350-W352 PolarHBondContact O-N 2.9Å; W352-L355 WeakPolarHBondContact O-CB 3.12Å; W352-L355 PolarHBondContact O-N 3.06Å
353	K	49.5	Very low	51.1	Low	91 Å²	91	104.2 Å²	104.2	40%	0.396	54%	0.543	S	S	.	.	H	α-helix	trans	-79.6	-29.2	-179.6	-75.9	174.4	177	178.3	0	113.2	E349 H350 L355 V356 Y357	E349-K353 WeakPolarHBondContact O-CB 3.37Å; E349-K353 WeakPolarHBondContact O-CG 3.49Å; E349-K353 PolarHBondContact O-N 2.8Å; E349-K353 IonicContact OE2-NZ 2.8Å; H350-K353 PolarHBondContact O-N 3.14Å; K353-L355 PolarHBondContact O-N 2.83Å; K353-V356 CarbonylContact O-C 3.52Å; K353-V356 PolarHBondContact O-N 3.13Å; K353-Y357 CarbonylContact O-C 3.54Å; K353-Y357 PolarHBondContact O-N 3.46Å; K353-Y357 VanDerWaalsContact O-O 3.14Å
354	A	49.7	Very low	50.3	Low	88 Å²	88	100.2 Å²	100.2	73%	0.727	54%	0.539	S	S	*	.	T	Hydrogen-bonded Turn	trans	-62.2	-19.4	167.4	0	0	0	0	0	111.7	H350	H350-A354 WeakPolarHBondContact O-CA 3.34Å; H350-A354 WeakPolarHBondContact O-CB 3.4Å; H350-A354 PolarHBondContact O-N 2.82Å
355	L	52.6	Low	50.1	Low	141 Å²	141	104.4 Å²	104.4	74%	0.738	56%	0.559	S	S	*	*	T	Hydrogen-bonded Turn	trans	-82.9	-16.8	170	-160	78.5	0	0	0	112.8	W352 K353	W352-L355 WeakPolarHBondContact O-CB 3.12Å; W352-L355 PolarHBondContact O-N 3.06Å; K353-L355 PolarHBondContact O-N 2.83Å
356	V	45.8	Very low	51.2	Low	94 Å²	94	104 Å²	104	57%	0.57	55%	0.553	S	S	*	*	T	Hydrogen-bonded Turn	trans	-132.6	-31.9	-166.5	180	0	0	0	0	116.4	K353	K353-V356 CarbonylContact O-C 3.52Å; K353-V356 PolarHBondContact O-N 3.13Å
357	Y	34.2	Very low	52.6	Low	215 Å²	215	103.1 Å²	103.1	84%	0.843	55%	0.549	S	S	*	.			trans	166.6	145.6	165.9	-114.9	-89.5	0	0	0	108.7	K353	K353-Y357 CarbonylContact O-C 3.54Å; K353-Y357 PolarHBondContact O-N 3.46Å; K353-Y357 VanDerWaalsContact O-O 3.14Å
358	D	42	Very low	54.1	Low	128 Å²	128	97.9 Å²	97.9	68%	0.684	53%	0.532	S	S	*	.			trans	-89.2	150.9	-177.6	-145.7	-1.6	0	0	0	113
359	G	43.6	Very low	55.6	Low	58 Å²	58	99.3 Å²	99.3	60%	0.598	53%	0.534	S	S	*	.			trans	-166.4	91.5	-177.3	0	0	0	0	0	112
360	D	46.6	Very low	57.2	Low	127 Å²	127	96.9 Å²	96.9	68%	0.679	52%	0.523	S	S	*	.			trans	-100.7	119	-179.2	-129.9	-1.6	0	0	0	110.6
361	S	41	Very low	59.2	Low	107 Å²	107	94 Å²	94	75%	0.748	51%	0.51	S	S	*	.	S	Bend	trans	164.5	-5.8	161.2	45.1	0	0	0	0	115.4
362	V	43.3	Very low	61	Low	91 Å²	91	93.7 Å²	93.7	55%	0.552	51%	0.508	S	S	*	.	S	Bend	trans	-98.2	5.1	-174.8	-166.8	0	0	0	0	114.2
363	S	46.3	Very low	63	Low	41 Å²	41	88 Å²	88	29%	0.287	49%	0.486	S	S	.	.	S	Bend	trans	-83.7	-34.6	-158.6	88.2	0	0	0	0	116.7	H365	S363-H365 PolarHBondContact O-N 2.87Å
364	V	45.7	Very low	65.2	Low	107 Å²	107	83.7 Å²	83.7	65%	0.648	47%	0.467	S	S	*	.	T	Hydrogen-bonded Turn	trans	-76.1	-26.3	-168.5	-172.2	0	0	0	0	112.3	R366	V364-R366 VanDerWaalsContact C-N 3.34Å; V364-R366 PolarHBondContact O-N 3.39Å
365	H	54.2	Low	67.5	Low	140 Å²	140	80.9 Å²	80.9	65%	0.648	44%	0.44	S	S	*	.	H	α-helix	trans	-73.6	-18	-177.2	-64.1	89	0	0	0	114	S363 F369	S363-H365 PolarHBondContact O-N 2.87Å; H365-F369 WeakPolarHBondContact O-CB 3.3Å; H365-F369 PolarHBondContact O-N 2.82Å
366	R	81.4	Confident	69.6	Low	88 Å²	88	81 Å²	81	33%	0.332	43%	0.434	S	S	.	.	H	α-helix	trans	-71.8	-48.5	-167.5	-55.1	-152.2	-167.9	160.2	-3.4	114.7	M257 Y342 E349 V364 Y370	M257-R366 VanDerWaalsContact SD-C 3.51Å; M257-R366 HydrophobicContact SD-CB 3.83Å; Y342-R366 HydrophobicContact CE1-CB 4.04Å; Y342-R366 HydrophobicContact CE1-CG 4.32Å; Y342-R366 WeakPolarHBondContact OH-CD 2.9Å; Y342-R366 PolarHBondContact OH-NE 2.96Å; Y342-R366 VanDerWaalsContact OH-NE 3.14Å; Y342-R366 PolarHBondContact OH-NH1 3.4Å; E349-R366 IonicContact OE1-NH1 3.19Å; E349-R366 IonicContact OE2-NH1 2.66Å; V364-R366 VanDerWaalsContact C-N 3.34Å; V364-R366 PolarHBondContact O-N 3.39Å; R366-Y370 WeakPolarHBondContact O-CB 3.19Å; R366-Y370 PolarHBondContact O-N 2.88Å; R366-Y370 VanDerWaalsContact O-N 3.07Å
367	P	87.6	Confident	72.1	Confident	4 Å²	4	77.5 Å²	77.5	3%	0.026	41%	0.412	C	S	.	.	H	α-helix	trans	-71.2	-41.3	178.5	-21.1	35.2	0	0	0	113.5	E252 K255 M257 Y342 Y370 A371	E252-P367 HydrophobicContact CG-CB 4.32Å; K255-P367 HydrophobicContact CB-CG 4.35Å; K255-P367 HydrophobicContact CD-CG 4.13Å; M257-P367 HydrophobicContact CG-CB 4.07Å; M257-P367 HydrophobicContact CG-CG 4.16Å; M257-P367 HydrophobicContact SD-CB 4.26Å; M257-P367 HydrophobicContact SD-CG 3.93Å; Y342-P367 HydrophobicContact CD1-CG 4.13Å; P367-Y370 WeakPolarHBondContact O-CB 3.3Å; P367-Y370 PolarHBondContact O-N 2.84Å; P367-A371 PolarHBondContact O-N 2.77Å
368	A	89.6	Confident	75.1	Confident	34 Å²	34	67.2 Å²	67.2	28%	0.281	37%	0.371	S	S	.	.	H	α-helix	trans	-62.7	-44.5	177.9	0	0	0	0	0	111.6	E252 Y370 A371 S372	E252-A368 HydrophobicContact CG-CB 4.31Å; E252-A368 VanDerWaalsContact OE1-CB 3.27Å; E252-A368 WeakPolarHBondContact OE1-CB 3.43Å; A368-Y370 VanDerWaalsContact C-N 3.34Å; A368-Y370 PolarHBondContact O-N 2.95Å; A368-A371 PolarHBondContact O-N 2.98Å; A368-S372 WeakPolarHBondContact O-CB 3.28Å; A368-S372 PolarHBondContact O-N 3.15Å
369	F	90.8	Very high	77.7	Confident	138 Å²	138	62.7 Å²	62.7	61%	0.605	35%	0.349	S	S	*	.	H	α-helix	trans	-61.4	-42.6	173.8	178.8	-98.1	0	0	0	111.8	H365 S372 R373	H365-F369 WeakPolarHBondContact O-CB 3.3Å; H365-F369 PolarHBondContact O-N 2.82Å; F369-S372 PolarHBondContact O-N 3.32Å; F369-R373 VanDerWaalsContact O-CB 3.27Å; F369-R373 WeakPolarHBondContact O-CB 3.4Å; F369-R373 PolarHBondContact O-N 3.5Å
370	Y	92.4	Very high	80.1	Confident	9 Å²	9	62.8 Å²	62.8	4%	0.035	34%	0.338	C	S	.	.	H	α-helix	trans	-58.7	-52	176.3	-170	-75.8	0	0	0	111.3	M257 D258 Y259 R366 P367 A368 S372 R373 F374	M257-Y370 HydrophobicContact CB-CD2 4.19Å; M257-Y370 HydrophobicContact CB-CG 4.32Å; D258-Y370 WeakPolarHBondContact CA-OH 3.46Å; D258-Y370 VanDerWaalsContact N-CZ 3.33Å; D258-Y370 WeakPolarHBondContact OD1-CE2 3.45Å; Y259-Y370 HydrophobicContact CD1-CD1 4.4Å; Y259-Y370 HydrophobicContact CD1-CE1 4.04Å; Y259-Y370 HydrophobicContact CD2-CE1 4.02Å; Y259-Y370 AromaticContact CE1-CD1 3.77Å; Y259-Y370 HydrophobicContact CE1-CD1 3.77Å; Y259-Y370 AromaticContact CE1-CE1 3.81Å; Y259-Y370 HydrophobicContact CE1-CE1 3.81Å; Y259-Y370 HydrophobicContact CE2-CD1 4.16Å; Y259-Y370 AromaticContact CE2-CE1 3.77Å; Y259-Y370 HydrophobicContact CE2-CE1 3.77Å; Y259-Y370 HydrophobicContact CG-CE1 4.17Å; Y259-Y370 AromaticContact CZ-CD1 3.64Å; Y259-Y370 AromaticContact CZ-CE1 3.69Å; Y259-Y370 PolarHBondContact O-OH 2.68Å; R366-Y370 WeakPolarHBondContact O-CB 3.19Å; R366-Y370 PolarHBondContact O-N 2.88Å; R366-Y370 VanDerWaalsContact O-N 3.07Å; P367-Y370 WeakPolarHBondContact O-CB 3.3Å; P367-Y370 PolarHBondContact O-N 2.84Å; A368-Y370 VanDerWaalsContact C-N 3.34Å; A368-Y370 PolarHBondContact O-N 2.95Å; Y370-S372 PolarHBondContact O-N 2.92Å; Y370-R373 PolarHBondContact O-N 3.2Å; Y370-F374 HydrophobicContact CE1-CB 4.41Å; Y370-F374 HydrophobicContact CE1-CD2 4.41Å; Y370-F374 VanDerWaalsContact O-CB 3.28Å; Y370-F374 WeakPolarHBondContact O-CB 3.37Å; Y370-F374 PolarHBondContact O-N 3.35Å
371	A	95.2	Very high	82.4	Confident	2 Å²	2	62.5 Å²	62.5	2%	0.017	33%	0.328	C	S	.	.	H	α-helix	trans	-59.7	-46.2	179.6	0	0	0	0	0	112.1	C248 E252 Y259 P367 A368 F374 L375	C248-A371 HydrophobicContact CB-CB 4.19Å; E252-A371 HydrophobicContact CB-CB 4.49Å; Y259-A371 WeakPolarHBondContact OH-CA 3.34Å; P367-A371 PolarHBondContact O-N 2.77Å; A368-A371 PolarHBondContact O-N 2.98Å; A371-F374 PolarHBondContact O-N 2.8Å; A371-L375 WeakPolarHBondContact O-CB 3.23Å; A371-L375 WeakPolarHBondContact O-CG 3.23Å; A371-L375 PolarHBondContact O-N 3.23Å
372	S	95.8	Very high	85.1	Confident	76 Å²	76	57.4 Å²	57.4	53%	0.531	29%	0.292	S	S	.	.	H	α-helix	trans	-61.9	-45.7	177.6	-179.7	0	0	0	0	112.2	A368 F369 Y370 L375 K376	A368-S372 WeakPolarHBondContact O-CB 3.28Å; A368-S372 PolarHBondContact O-N 3.15Å; F369-S372 PolarHBondContact O-N 3.32Å; Y370-S372 PolarHBondContact O-N 2.92Å; S372-L375 PolarHBondContact O-N 3.42Å; S372-K376 VanDerWaalsContact O-CB 3.27Å; S372-K376 WeakPolarHBondContact O-CB 3.46Å; S372-K376 PolarHBondContact O-N 2.82Å
373	R	95.5	Very high	87.6	Confident	69 Å²	69	53.1 Å²	53.1	26%	0.26	27%	0.266	S	S	.	.	H	α-helix	trans	-62	-45.4	176.2	-173.1	-163.5	72	-151	-5.2	111.6	K197 G198 F369 Y370 K376 F377	K197-R373 PolarHBondContact O-NH2 3.12Å; G198-R373 WeakPolarHBondContact O-CD 3.48Å; G198-R373 VanDerWaalsContact O-CG 3.24Å; G198-R373 WeakPolarHBondContact O-CG 3.31Å; G198-R373 PolarHBondContact O-NE 3.05Å; F369-R373 VanDerWaalsContact O-CB 3.27Å; F369-R373 WeakPolarHBondContact O-CB 3.4Å; F369-R373 PolarHBondContact O-N 3.5Å; Y370-R373 PolarHBondContact O-N 3.2Å; R373-K376 PolarHBondContact O-N 3.25Å; R373-F377 PolarHBondContact O-N 3.37Å
374	F	97.1	Very high	89.9	Confident	0 Å²	0	54.5 Å²	54.5	0%	0	27%	0.265	C	S	.	.	H	α-helix	trans	-58.1	-53.3	177.1	178.4	-88	0	0	0	110.8	L244 C248 Y259 L261 I335 Y370 A371 K376 F377 M378	L244-F374 HydrophobicContact CD2-CE1 4.28Å; C248-F374 VanDerWaalsContact SG-CD1 3.58Å; Y259-F374 HydrophobicContact CD2-CD2 4.15Å; Y259-F374 AromaticContact CD2-CE2 3.9Å; Y259-F374 HydrophobicContact CD2-CE2 3.9Å; Y259-F374 HydrophobicContact CD2-CZ 4.13Å; Y259-F374 HydrophobicContact CE2-CB 4.45Å; Y259-F374 HydrophobicContact CE2-CD1 4Å; Y259-F374 AromaticContact CE2-CD2 3.87Å; Y259-F374 HydrophobicContact CE2-CD2 3.87Å; Y259-F374 HydrophobicContact CE2-CE1 4.1Å; Y259-F374 AromaticContact CE2-CE2 3.97Å; Y259-F374 HydrophobicContact CE2-CE2 3.97Å; Y259-F374 AromaticContact CE2-CG 3.87Å; Y259-F374 HydrophobicContact CE2-CG 3.87Å; Y259-F374 HydrophobicContact CE2-CZ 4.07Å; L261-F374 HydrophobicContact CB-CE2 4.14Å; L261-F374 HydrophobicContact CB-CZ 3.79Å; I335-F374 HydrophobicContact CG1-CZ 4.49Å; Y370-F374 HydrophobicContact CE1-CB 4.41Å; Y370-F374 HydrophobicContact CE1-CD2 4.41Å; Y370-F374 VanDerWaalsContact O-CB 3.28Å; Y370-F374 WeakPolarHBondContact O-CB 3.37Å; Y370-F374 PolarHBondContact O-N 3.35Å; A371-F374 PolarHBondContact O-N 2.8Å; F374-K376 PolarHBondContact O-N 3.13Å; F374-F377 PolarHBondContact O-N 2.68Å; F374-M378 HydrophobicContact CD1-CE 4.41Å; F374-M378 HydrophobicContact CD1-CG 4.29Å; F374-M378 HydrophobicContact CD2-CE 3.73Å; F374-M378 HydrophobicContact CE1-CE 4.14Å; F374-M378 HydrophobicContact CE1-CG 4.11Å; F374-M378 HydrophobicContact CE2-CE 3.4Å; F374-M378 VanDerWaalsContact CE2-CE 3.4Å; F374-M378 HydrophobicContact CG-CE 4.24Å; F374-M378 HydrophobicContact CZ-CE 3.65Å; F374-M378 HydrophobicContact CZ-CG 4.47Å; F374-M378 WeakPolarHBondContact O-CG 3.43Å; F374-M378 PolarHBondContact O-N 3.1Å
375	L	97.5	Very high	92.2	Very high	30 Å²	30	53.6 Å²	53.6	16%	0.157	25%	0.252	C	S	.	.	H	α-helix	trans	-60.7	-42.4	178.6	-75.5	170.6	0	0	0	112.8	M241 L244 Q245 C248 A371 S372 F377 M378 S379	M241-L375 HydrophobicContact CE-CD2 4.4Å; L244-L375 HydrophobicContact CB-CD2 3.83Å; Q245-L375 HydrophobicContact CG-CD1 4.17Å; Q245-L375 HydrophobicContact CG-CD2 4.1Å; C248-L375 HydrophobicContact CB-CD1 3.75Å; C248-L375 HydrophobicContact CB-CD2 4.22Å; C248-L375 HydrophobicContact CB-CG 3.99Å; A371-L375 WeakPolarHBondContact O-CB 3.23Å; A371-L375 WeakPolarHBondContact O-CG 3.23Å; A371-L375 PolarHBondContact O-N 3.23Å; S372-L375 PolarHBondContact O-N 3.42Å; L375-F377 VanDerWaalsContact C-N 3.32Å; L375-F377 PolarHBondContact O-N 3.46Å; L375-M378 PolarHBondContact O-N 2.73Å; L375-S379 WeakPolarHBondContact O-CB 3.16Å; L375-S379 PolarHBondContact O-N 3.08Å; L375-S379 PolarHBondContact O-OG 2.96Å
376	K	97.2	Very high	93.5	Very high	143 Å²	143	48.8 Å²	48.8	62%	0.622	23%	0.232	S	C	*	.	H	α-helix	trans	-61.4	-42.7	177	-176.3	171.9	-177.9	175.7	0	111	S372 R373 F374 S379 V380	S372-K376 VanDerWaalsContact O-CB 3.27Å; S372-K376 WeakPolarHBondContact O-CB 3.46Å; S372-K376 PolarHBondContact O-N 2.82Å; R373-K376 PolarHBondContact O-N 3.25Å; F374-K376 PolarHBondContact O-N 3.13Å; K376-S379 WeakPolarHBondContact CA-OG 3.35Å; K376-S379 PolarHBondContact O-OG 3.4Å; K376-V380 HydrophobicContact CG-CG2 4.14Å; K376-V380 WeakPolarHBondContact O-CB 3.07Å; K376-V380 VanDerWaalsContact O-CG2 3.27Å; K376-V380 WeakPolarHBondContact O-CG2 3.49Å; K376-V380 PolarHBondContact O-N 2.82Å
377	F	97.3	Very high	92.8	Very high	20 Å²	20	53.5 Å²	53.5	9%	0.088	26%	0.257	C	S	.	.	H	α-helix	trans	-63.7	-46.5	176.4	-175.8	-104.5	0	0	0	111.9	L196 G198 D219 Q223 R373 F374 L375 S379 R381 V382	L196-F377 HydrophobicContact CB-CE1 4.32Å; L196-F377 HydrophobicContact CD2-CE1 4.26Å; G198-F377 VanDerWaalsContact CA-CB 3.43Å; G198-F377 VanDerWaalsContact CA-CG 3.43Å; D219-F377 HydrophobicContact CB-CE1 4.32Å; D219-F377 HydrophobicContact CB-CZ 3.93Å; Q223-F377 HydrophobicContact CG-CE2 4.2Å; Q223-F377 HydrophobicContact CG-CZ 4.33Å; R373-F377 PolarHBondContact O-N 3.37Å; F374-F377 PolarHBondContact O-N 2.68Å; L375-F377 VanDerWaalsContact C-N 3.32Å; L375-F377 PolarHBondContact O-N 3.46Å; F377-S379 PolarHBondContact O-N 2.72Å; F377-R381 HydrophobicContact CD2-CB 3.91Å; F377-R381 HydrophobicContact CD2-CG 3.89Å; F377-R381 HydrophobicContact CE2-CB 3.83Å; F377-R381 HydrophobicContact CE2-CG 4.01Å; F377-R381 HydrophobicContact CZ-CB 4.36Å; F377-R381 WeakPolarHBondContact O-CA 3.26Å; F377-R381 WeakPolarHBondContact O-CB 3.32Å; F377-R381 PolarHBondContact O-N 2.99Å; F377-V382 HydrophobicContact CD1-CG2 3.64Å; F377-V382 HydrophobicContact CE1-CG2 3.39Å; F377-V382 HydrophobicContact CZ-CG2 4.12Å; F377-V382 PolarHBondContact O-N 2.89Å
378	M	97.8	Very high	91.2	Very high	0 Å²	0	64.5 Å²	64.5	0%	0	30%	0.298	C	S	.	.	I	π-helix	trans	-62.4	-43.5	179	-58.3	-46.5	162.2	0	0	112.2	L196 L244 L261 F374 L375 V382 F383	L196-M378 HydrophobicContact CB-CE 3.7Å; L196-M378 HydrophobicContact CB-SD 4.37Å; L196-M378 HydrophobicContact CD1-SD 4.45Å; L244-M378 HydrophobicContact CD1-CB 4.3Å; L261-M378 HydrophobicContact CB-CE 3.7Å; L261-M378 HydrophobicContact CB-SD 4.3Å; L261-M378 HydrophobicContact CD2-CE 4.21Å; L261-M378 HydrophobicContact CD2-CG 4.28Å; L261-M378 HydrophobicContact CD2-SD 3.68Å; F374-M378 HydrophobicContact CD1-CE 4.41Å; F374-M378 HydrophobicContact CD1-CG 4.29Å; F374-M378 HydrophobicContact CD2-CE 3.73Å; F374-M378 HydrophobicContact CE1-CE 4.14Å; F374-M378 HydrophobicContact CE1-CG 4.11Å; F374-M378 HydrophobicContact CE2-CE 3.4Å; F374-M378 VanDerWaalsContact CE2-CE 3.4Å; F374-M378 HydrophobicContact CG-CE 4.24Å; F374-M378 HydrophobicContact CZ-CE 3.65Å; F374-M378 HydrophobicContact CZ-CG 4.47Å; F374-M378 WeakPolarHBondContact O-CG 3.43Å; F374-M378 PolarHBondContact O-N 3.1Å; L375-M378 PolarHBondContact O-N 2.73Å; M378-V382 PolarHBondContact O-N 3.47Å; M378-V382 HydrophobicContact SD-CB 4.26Å; M378-V382 HydrophobicContact SD-CG2 3.75Å; M378-F383 HydrophobicContact CB-CD2 4.14Å; M378-F383 HydrophobicContact CB-CE2 4.24Å; M378-F383 PolarHBondContact O-N 3.39Å
379	S	95.9	Very high	89.1	Confident	32 Å²	32	72.4 Å²	72.4	22%	0.224	33%	0.326	C	S	.	.	I	π-helix	trans	-76.8	-27.9	-177.5	52.9	0	0	0	0	115.1	Y237 L375 K376 F377 F383	Y237-S379 PolarHBondContact OH-O 3.06Å; Y237-S379 VanDerWaalsContact OH-O 3.13Å; L375-S379 WeakPolarHBondContact O-CB 3.16Å; L375-S379 PolarHBondContact O-N 3.08Å; L375-S379 PolarHBondContact O-OG 2.96Å; K376-S379 WeakPolarHBondContact CA-OG 3.35Å; K376-S379 PolarHBondContact O-OG 3.4Å; F377-S379 PolarHBondContact O-N 2.72Å; S379-F383 VanDerWaalsContact O-O 3.07Å
380	V	93.3	Very high	86.4	Confident	60 Å²	60	71.5 Å²	71.5	36%	0.364	34%	0.337	S	S	.	.	I	π-helix	trans	-107.1	-22.3	-172.5	-178.6	0	0	0	0	112.5	K376 R384	K376-V380 HydrophobicContact CG-CG2 4.14Å; K376-V380 WeakPolarHBondContact O-CB 3.07Å; K376-V380 VanDerWaalsContact O-CG2 3.27Å; K376-V380 WeakPolarHBondContact O-CG2 3.49Å; K376-V380 PolarHBondContact O-N 2.82Å; V380-R384 PolarHBondContact O-NH1 3.47Å; V380-R384 PolarHBondContact O-NH2 3.05Å
381	R	95.1	Very high	83.7	Confident	122 Å²	122	79.2 Å²	79.2	46%	0.46	40%	0.402	S	S	.	.	I	π-helix	trans	-119.4	-43.3	-177.1	-62.4	-61.9	-172.7	172.5	-1	112.7	G229 F377	G229-R381 WeakPolarHBondContact CA-O 3.42Å; F377-R381 HydrophobicContact CD2-CB 3.91Å; F377-R381 HydrophobicContact CD2-CG 3.89Å; F377-R381 HydrophobicContact CE2-CB 3.83Å; F377-R381 HydrophobicContact CE2-CG 4.01Å; F377-R381 HydrophobicContact CZ-CB 4.36Å; F377-R381 WeakPolarHBondContact O-CA 3.26Å; F377-R381 WeakPolarHBondContact O-CB 3.32Å; F377-R381 PolarHBondContact O-N 2.99Å
382	V	97.5	Very high	83.1	Confident	0 Å²	0	83.1 Å²	83.1	0%	0	42%	0.422	C	S	.	.	I	π-helix	trans	-85.6	-53.8	-171.4	-171.5	0	0	0	0	111.5	L196 F222 L230 L263 F377 M378	L196-V382 HydrophobicContact CD1-CG1 3.88Å; L196-V382 HydrophobicContact CD1-CG2 3.87Å; F222-V382 HydrophobicContact CD1-CG2 4.39Å; F222-V382 HydrophobicContact CE1-CB 4.17Å; F222-V382 HydrophobicContact CE1-CG1 4.12Å; F222-V382 HydrophobicContact CE1-CG2 4.11Å; F222-V382 HydrophobicContact CE2-CG1 3.97Å; F222-V382 HydrophobicContact CZ-CB 4.14Å; F222-V382 HydrophobicContact CZ-CG1 3.62Å; F222-V382 HydrophobicContact CZ-CG2 4.44Å; L230-V382 PolarHBondContact N-O 2.71Å; L263-V382 HydrophobicContact CD2-CG1 3.92Å; F377-V382 HydrophobicContact CD1-CG2 3.64Å; F377-V382 HydrophobicContact CE1-CG2 3.39Å; F377-V382 HydrophobicContact CZ-CG2 4.12Å; F377-V382 PolarHBondContact O-N 2.89Å; M378-V382 PolarHBondContact O-N 3.47Å; M378-V382 HydrophobicContact SD-CB 4.26Å; M378-V382 HydrophobicContact SD-CG2 3.75Å
383	F	97.1	Very high	82.4	Confident	0 Å²	0	83.4 Å²	83.4	0%	0	42%	0.416	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-109.2	132.5	-174.6	-53.1	-43.4	0	0	0	110.6	L230 F232 Y237 L240 M241 L244 L261 L263 L333 M378 S379	L230-F383 HydrophobicContact CD1-CE1 4.46Å; L230-F383 CarbonylContact O-C 3.6Å; L230-F383 WeakPolarHBondContact O-CA 3.45Å; F232-F383 HydrophobicContact CD2-CB 4.3Å; F232-F383 HydrophobicContact CD2-CD1 4.42Å; F232-F383 HydrophobicContact CE2-CB 4.05Å; F232-F383 AromaticContact CE2-CD1 3.4Å; F232-F383 HydrophobicContact CE2-CD1 3.4Å; F232-F383 VanDerWaalsContact CE2-CD1 3.4Å; F232-F383 HydrophobicContact CE2-CE1 4.11Å; F232-F383 AromaticContact CE2-CG 3.99Å; F232-F383 HydrophobicContact CE2-CG 3.99Å; F232-F383 AromaticContact CZ-CD1 3.86Å; F232-F383 HydrophobicContact CZ-CD1 3.86Å; F232-F383 HydrophobicContact CZ-CE1 4.1Å; Y237-F383 HydrophobicContact CD2-CB 4.24Å; Y237-F383 HydrophobicContact CE2-CB 3.97Å; Y237-F383 WeakPolarHBondContact CE2-O 3.27Å; L240-F383 HydrophobicContact CD2-CD1 4.39Å; L240-F383 HydrophobicContact CD2-CD2 3.72Å; L240-F383 HydrophobicContact CD2-CE1 4.44Å; L240-F383 HydrophobicContact CD2-CE2 3.82Å; L240-F383 HydrophobicContact CD2-CG 4.02Å; L240-F383 HydrophobicContact CD2-CZ 4.17Å; L240-F383 HydrophobicContact CG-CD2 4.44Å; L240-F383 HydrophobicContact CG-CE2 4.47Å; M241-F383 HydrophobicContact SD-CD2 4.45Å; L244-F383 HydrophobicContact CD1-CD2 4.29Å; L244-F383 HydrophobicContact CD1-CE2 4Å; L261-F383 HydrophobicContact CD2-CE2 3.78Å; L261-F383 HydrophobicContact CD2-CZ 3.68Å; L263-F383 HydrophobicContact CD1-CE1 4.18Å; L263-F383 HydrophobicContact CD1-CZ 4.32Å; L333-F383 HydrophobicContact CD2-CE1 4.28Å; L333-F383 HydrophobicContact CD2-CE2 4.4Å; L333-F383 HydrophobicContact CD2-CZ 3.69Å; M378-F383 HydrophobicContact CB-CD2 4.14Å; M378-F383 HydrophobicContact CB-CE2 4.24Å; M378-F383 PolarHBondContact O-N 3.39Å; S379-F383 VanDerWaalsContact O-O 3.07Å
384	R	95.1	Very high	81.7	Confident	70 Å²	70	84.2 Å²	84.2	26%	0.264	43%	0.425	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-123.5	150.3	-179.6	-60.8	-57.9	-165.4	163.3	6.3	110.6	E228 L230 Y231 F232 V380	E228-R384 VanDerWaalsContact O-CG 3.31Å; E228-R384 WeakPolarHBondContact O-CG 3.38Å; L230-R384 PolarHBondContact O-N 3.34Å; Y231-R384 WeakPolarHBondContact CA-O 3.45Å; Y231-R384 HydrophobicContact CD1-CB 3.56Å; Y231-R384 HydrophobicContact CD2-CB 4.24Å; Y231-R384 HydrophobicContact CE1-CB 3.58Å; Y231-R384 HydrophobicContact CE1-CG 4.17Å; Y231-R384 HydrophobicContact CE2-CB 4.25Å; Y231-R384 HydrophobicContact CE2-CG 4.25Å; Y231-R384 HydrophobicContact CG-CB 3.9Å; F232-R384 PolarHBondContact N-O 3.16Å; V380-R384 PolarHBondContact O-NH1 3.47Å; V380-R384 PolarHBondContact O-NH2 3.05Å
385	K	92.3	Very high	80.8	Confident	89 Å²	89	89.2 Å²	89.2	39%	0.387	45%	0.45	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-91.4	132.3	172.8	-176.5	175.2	178.8	175.1	0	109.2	T234 Y237 Q387	T234-K385 VanDerWaalsContact CG2-NZ 3.35Å; T234-K385 WeakPolarHBondContact OG1-CE 3.3Å; Y237-K385 HydrophobicContact CD1-CB 4.14Å; Y237-K385 HydrophobicContact CD1-CD 4.47Å; Y237-K385 HydrophobicContact CD2-CB 4.44Å; Y237-K385 HydrophobicContact CE1-CB 4.47Å; Y237-K385 HydrophobicContact CG-CB 4.12Å; K385-Q387 PolarHBondContact O-N 2.73Å; K385-Q387 VanDerWaalsContact O-N 3.07Å
386	N	83	Confident	79.8	Confident	39 Å²	39	92.9 Å²	92.9	21%	0.209	47%	0.468	C	S	.	.			trans	-58.7	112.6	169.3	-80.6	-34.8	0	0	0	110.1	Y231 F232 K322 R388	Y231-N386 WeakPolarHBondContact CB-OD1 3.17Å; F232-N386 WeakPolarHBondContact O-CB 3.49Å; F232-N386 PolarHBondContact O-N 3.35Å; F232-N386 PolarHBondContact O-ND2 3.44Å; K322-N386 VanDerWaalsContact CE-CG 3.45Å; K322-N386 WeakPolarHBondContact CE-ND2 3.18Å; K322-N386 WeakPolarHBondContact CE-OD1 3.21Å; N386-R388 PolarHBondContact O-N 2.85Å
387	Q	64.9	Low	78.6	Confident	186 Å²	186	89.5 Å²	89.5	87%	0.869	46%	0.458	S	S	*	.			trans	-80.1	98.9	163.6	-63.6	-168.6	5.5	0	0	106.7	K385 K389	K385-Q387 PolarHBondContact O-N 2.73Å; K385-Q387 VanDerWaalsContact O-N 3.07Å; Q387-K389 PolarHBondContact O-N 3.18Å; Q387-K389 VanDerWaalsContact O-N 3.11Å
388	R	55.8	Low	77.3	Confident	236 Å²	236	94.5 Å²	94.5	89%	0.891	48%	0.484	S	S	*	.			trans	-59.4	117.9	158.7	-83.8	-176.7	173.1	168.2	-1.5	105.5	N386 S390	N386-R388 PolarHBondContact O-N 2.85Å; R388-S390 PolarHBondContact O-N 3.29Å
389	K	43.7	Very low	75.7	Confident	200 Å²	200	101.8 Å²	101.8	87%	0.87	52%	0.521	S	S	*	.			trans	-53.7	114.4	159.1	-72.9	-176.1	178.3	180	0	104.9	Q387 A391	Q387-K389 PolarHBondContact O-N 3.18Å; Q387-K389 VanDerWaalsContact O-N 3.11Å; K389-A391 PolarHBondContact O-N 2.75Å
390	S	35.9	Very low	74	Confident	118 Å²	118	107.6 Å²	107.6	83%	0.825	55%	0.546	S	S	*	.			trans	-56.1	109.6	163.6	43.5	0	0	0	0	105.6	R388	R388-S390 PolarHBondContact O-N 3.29Å
391	A	34.4	Very low	72.3	Confident	171 Å²	171	111.9 Å²	111.9	100%	1.413	56%	0.563	S	S	*	*			trans	-68.8	0	170.3	0	0	0	0	0	109.4	K389	K389-A391 PolarHBondContact O-N 2.75Å

Retrieved 391 of 391 residues in 412.1 ms (Link to these results)

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