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Inositol polyphosphate multikinase

Inositol phosphate kinase with a broad substrate specificity. Phosphorylates inositol 1,4,5-trisphosphate (Ins(1,4,5)P3) first to inositol 1,3,4,5-tetrakisphosphate and then to inositol 1,3,4,5,6-pentakisphosphate (Ins(1,3,4,5,6)P5)^1,2. Phosphorylates inositol 1,3,4,6-tetrakisphosphate (Ins(1,3,4,6)P4)³. Phosphorylates inositol 1,4,5,6-tetrakisphosphate (Ins(1,4,5,6)P4)⁴. Phosphorylates glycero-3-phospho-1D-myo-inositol 4,5-bisphosphate to glycero-3-phospho-1D-myo-inositol 3,4,5-trisphosphate⁵. Plays an important role in MLKL-mediated necroptosis via its role in the biosynthesis of inositol pentakisphosphate (InsP5) and inositol hexakisphosphate (InsP6). Binding of these highly phosphorylated inositol phosphates to MLKL mediates the release of an N-terminal auto-inhibitory region, leading to activation of the kinase. Essential for activated phospho-MLKL to oligomerize and localize to the cell membrane during necroptosis (By similarity). Required for normal embryonic development, probably via its role in the biosynthesis of inositol 1,3,4,5,6-pentakisphosphate (Ins(1,3,4,5,6)P5) and inositol hexakisphosphate (InsP6) (By similarity).

AlphaFold DB , UniProt , Accession Q99NI4, Species RAT (Rattus norvegicus, Rat), Gene Ipmk, Length 396 aa.

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(Predicted Aligned Error values between residue pairs)

Download Structure PDB PAE Table

Site	Residue	pLDDT	pLDDT confidence	pLDDT₁₀	pLDDT10 confidence	SASA	SASA [Å²]	SASA₁₀	SASA10 [Å²]	RSA	RSA unformatted	RSA₁₀	RSA10 unformatted	Surface	Surface10 (not used)	Disorder (not used)	Disorder	Sec. str.	Secondary structure	Isomer	Phi (φ)	Psi (ψ)	Omega (ω)	Chi 1 (χ₁)	Chi 2 (χ₂)	Chi 3 (χ₃)	Chi 4 (χ₄)	Chi 5 (χ₅)	Tau (τ)	Contacts (colored by PAE)	Contact details
1	M	38.2	Very low	43.4	Very low	253 Å²	253	164.5 Å²	164.5	100%	1.246	89%	0.891	S	S	*	*				0	112.1	0	-72.5	179.8	159.7	0	0	105.8
2	A	43.6	Very low	43.3	Very low	105 Å²	105	160.3 Å²	160.3	87%	0.868	88%	0.878	S	S	*	*			cis	-139	153.3	19.4	0	0	0	0	0	109.8
3	A	42.4	Very low	42.9	Very low	101 Å²	101	157.7 Å²	157.7	84%	0.835	87%	0.874	S	S	*	*	P	Polyproline II helix	trans	-96.1	131.9	180	0	0	0	0	0	110.5
4	E	53.5	Low	42.4	Very low	187 Å²	187	151.8 Å²	151.8	87%	0.874	87%	0.866	S	S	*	*	P	Polyproline II helix	trans	-74.9	145.7	168.8	-80.5	-164.2	140.2	0	0	111.5
5	P	49	Very low	42	Very low	114 Å²	114	149.7 Å²	149.7	74%	0.74	87%	0.865	S	S	*	*	P	Polyproline II helix	trans	-83.5	155	177.2	34.4	-31.7	0	0	0	111.8
6	P	45.8	Very low	41.5	Very low	125 Å²	125	149.4 Å²	149.4	81%	0.812	87%	0.866	S	S	*	*	P	Polyproline II helix	trans	-80.1	139.5	-174.3	32.2	-32.3	0	0	0	112.2	L8	P6-L8 PolarHBondContact O-N 3.35Å
7	A	47.1	Very low	41	Very low	97 Å²	97	144.8 Å²	144.8	80%	0.802	86%	0.858	S	S	*	*	P	Polyproline II helix	trans	-64.4	128.8	175.1	0	0	0	0	0	112.1	R9	A7-R9 PolarHBondContact O-N 3.05Å
8	L	40.5	Very low	40.9	Very low	171 Å²	171	145.9 Å²	145.9	90%	0.895	86%	0.86	S	S	*	*			trans	-59.5	110.9	172.1	-77.3	158.9	0	0	0	110.7	P6 L10	P6-L8 PolarHBondContact O-N 3.35Å; L8-L10 PolarHBondContact O-N 3.3Å
9	R	41	Very low	40.9	Very low	248 Å²	248	143.5 Å²	143.5	94%	0.936	85%	0.852	S	S	*	*			trans	-76.3	105.1	164.5	-80.2	-172.2	176.6	-173.4	-0.1	109.3	A7 R11	A7-R9 PolarHBondContact O-N 3.05Å; R9-R11 PolarHBondContact O-N 3.15Å
10	L	38.8	Very low	41.1	Very low	170 Å²	170	142 Å²	142	89%	0.89	85%	0.846	S	S	*	*	P	Polyproline II helix	trans	-68.7	119.6	164.3	-79.1	157.8	0	0	0	109.3	L8	L8-L10 PolarHBondContact O-N 3.3Å
11	R	37.3	Very low	41.9	Very low	239 Å²	239	141 Å²	141	90%	0.902	84%	0.843	S	S	*	*	P	Polyproline II helix	trans	-65.9	138.3	169.5	-116	178.7	175.1	-172.7	-2	109.4	R9	R9-R11 PolarHBondContact O-N 3.15Å
12	P	42.8	Very low	42.8	Very low	114 Å²	114	132.4 Å²	132.4	74%	0.74	81%	0.805	S	S	*	*	P	Polyproline II helix	trans	-71.2	146.6	170.7	30.7	-31.5	0	0	0	110
13	P	38.4	Very low	43.5	Very low	126 Å²	126	131.5 Å²	131.5	82%	0.818	79%	0.79	S	S	*	*	P	Polyproline II helix	trans	-72	139	179.8	30.3	-32	0	0	0	110.3	S15	P13-S15 PolarHBondContact O-N 2.93Å
14	G	35.2	Very low	44.4	Very low	75 Å²	75	135.5 Å²	135.5	77%	0.773	78%	0.783	S	S	*	*	P	Polyproline II helix	trans	-61.3	129.9	178.6	0	0	0	0	0	112.2	T16	G14-T16 PolarHBondContact O-N 2.85Å
15	S	36.1	Very low	45.2	Very low	121 Å²	121	128.4 Å²	128.4	85%	0.846	75%	0.751	S	S	*	*			trans	-79.7	98.6	172.8	55.8	0	0	0	0	110.1	P13	P13-S15 PolarHBondContact O-N 2.93Å
16	T	34.4	Very low	46.3	Very low	144 Å²	144	125.3 Å²	125.3	88%	0.883	73%	0.728	S	S	*	*			trans	-102.6	87.5	153.2	41.5	0	0	0	0	105.9	G14 D18	G14-T16 PolarHBondContact O-N 2.85Å; T16-D18 PolarHBondContact O-N 3.22Å
17	G	32.9	Very low	47.6	Very low	71 Å²	71	123.1 Å²	123.1	73%	0.732	73%	0.728	S	S	*	*			trans	-94.5	80	-177.7	0	0	0	0	0	110.7	S19	G17-S19 PolarHBondContact O-N 3.22Å; G17-S19 VanDerWaalsContact O-N 3.1Å
18	D	38.5	Very low	49.3	Very low	165 Å²	165	119.2 Å²	119.2	88%	0.882	70%	0.698	S	S	*	*			trans	-64.3	106.4	160.6	-96	-17.7	0	0	0	107.5	T16	T16-D18 PolarHBondContact O-N 3.22Å
19	S	41.8	Very low	51.5	Low	101 Å²	101	111.1 Å²	111.1	71%	0.706	66%	0.655	S	S	*	*	P	Polyproline II helix	trans	-63.2	134.2	168	-5.4	0	0	0	0	107.6	G17	G17-S19 PolarHBondContact O-N 3.22Å; G17-S19 VanDerWaalsContact O-N 3.1Å
20	P	45	Very low	53.7	Low	113 Å²	113	99.9 Å²	99.9	73%	0.734	61%	0.614	S	S	*	*	P	Polyproline II helix	trans	-57.5	138.8	178.7	23.1	-32	0	0	0	109.7	V22	P20-V22 PolarHBondContact O-N 3.29Å
21	P	57.6	Low	56.1	Low	121 Å²	121	93.5 Å²	93.5	79%	0.786	58%	0.583	S	S	*	*	P	Polyproline II helix	trans	-58.2	128.8	-177.3	21.7	-31.6	0	0	0	110.2	P23	P21-P23 WeakPolarHBondContact O-CD 3.33Å
22	V	57.4	Low	58.6	Low	73 Å²	73	83.1 Å²	83.1	44%	0.442	55%	0.545	S	S	.	.	P	Polyproline II helix	trans	-60	124.5	176.8	-178.2	0	0	0	0	108.5	P20 R24 V30	P20-V22 PolarHBondContact O-N 3.29Å; V22-R24 PolarHBondContact O-N 3.22Å; V22-V30 HydrophobicContact CG1-CB 4.02Å; V22-V30 HydrophobicContact CG1-CG1 4Å
23	P	58.6	Low	60.6	Low	86 Å²	86	80.9 Å²	80.9	56%	0.558	53%	0.532	S	S	*	.	P	Polyproline II helix	trans	-57.7	116.5	-179.9	-24.5	33.3	0	0	0	110.6	P21 L25	P21-P23 WeakPolarHBondContact O-CD 3.33Å; P23-L25 PolarHBondContact O-N 3.27Å
24	R	61.3	Low	63	Low	185 Å²	185	75.1 Å²	75.1	70%	0.698	49%	0.494	S	S	*	.	P	Polyproline II helix	trans	-78.7	117.3	171.4	-67.9	-174	-178.3	-167.5	0.4	108.6	V22 V30	V22-R24 PolarHBondContact O-N 3.22Å; R24-V30 HydrophobicContact CG-CG1 4.45Å
25	L	69.6	Low	65.6	Low	38 Å²	38	72.8 Å²	72.8	20%	0.199	46%	0.463	C	S	.	.	B	Isolated β-bridge	trans	-105.6	151.7	-179	-62.6	161.9	0	0	0	109.3	P23 G27 G28 C29 P31 Y41 L49	P23-L25 PolarHBondContact O-N 3.27Å; L25-G27 PolarHBondContact O-N 3.44Å; L25-G27 VanDerWaalsContact O-N 3.1Å; L25-G28 PolarHBondContact O-N 2.76Å; L25-G28 VanDerWaalsContact O-N 3.07Å; L25-C29 PolarHBondContact N-O 3.25Å; L25-C29 WeakPolarHBondContact O-CA 3.38Å; L25-C29 WeakPolarHBondContact O-CB 3.37Å; L25-C29 PolarHBondContact O-N 2.82Å; L25-P31 HydrophobicContact CD1-CG 4.16Å; L25-Y41 HydrophobicContact CD1-CD1 4.06Å; L25-Y41 HydrophobicContact CD1-CE1 3.34Å; L25-Y41 HydrophobicContact CD1-CE2 4Å; L25-Y41 WeakPolarHBondContact CD1-OH 3.43Å; L25-L49 HydrophobicContact CD1-CD2 4.04Å
26	L	73	Confident	68.2	Low	49 Å²	49	68.3 Å²	68.3	26%	0.257	43%	0.431	S	S	.	.	T	Hydrogen-bonded Turn	trans	41.8	57	161.5	-54.3	177.9	0	0	0	115.2	C29 L49 W100 P102 Y110	L26-C29 PolarHBondContact O-SG 3Å; L26-C29 VanDerWaalsContact O-SG 3.4Å; L26-L49 HydrophobicContact CD1-CD1 4.05Å; L26-W100 HydrophobicContact CB-CH2 4.03Å; L26-W100 HydrophobicContact CD1-CH2 4.48Å; L26-W100 HydrophobicContact CD1-CZ3 4.36Å; L26-P102 HydrophobicContact CB-CB 4.29Å; L26-P102 HydrophobicContact CD1-CG 4.18Å; L26-P102 HydrophobicContact CD2-CB 3.91Å; L26-P102 HydrophobicContact CD2-CG 3.9Å; L26-P102 HydrophobicContact CG-CB 4.47Å; L26-Y110 HydrophobicContact CD1-CE2 4.19Å; L26-Y110 WeakPolarHBondContact CD1-OH 3.3Å
27	G	72.5	Confident	70.8	Confident	79 Å²	79	62.4 Å²	62.4	81%	0.814	40%	0.396	S	S	*	.	T	Hydrogen-bonded Turn	trans	83.4	25.5	176.4	0	0	0	0	0	115.6	L25	L25-G27 PolarHBondContact O-N 3.44Å; L25-G27 VanDerWaalsContact O-N 3.1Å
28	G	82.6	Confident	73.1	Confident	15 Å²	15	61.8 Å²	61.8	16%	0.155	39%	0.39	C	S	.	.	T	Hydrogen-bonded Turn	trans	101.1	1.8	176.1	0	0	0	0	0	114.3	L25 P52 F278	L25-G28 PolarHBondContact O-N 2.76Å; L25-G28 VanDerWaalsContact O-N 3.07Å; G28-P52 WeakPolarHBondContact O-CG 3.4Å; G28-F278 WeakPolarHBondContact O-CZ 3.48Å
29	C	86	Confident	74.8	Confident	0 Å²	0	56.6 Å²	56.6	0%	0	36%	0.36	C	S	.	.	B	Isolated β-bridge	trans	-62.7	148.2	169.8	-55.8	0	0	0	0	110.4	L25 L26 L49 Q50 H51	L25-C29 PolarHBondContact N-O 3.25Å; L25-C29 WeakPolarHBondContact O-CA 3.38Å; L25-C29 WeakPolarHBondContact O-CB 3.37Å; L25-C29 PolarHBondContact O-N 2.82Å; L26-C29 PolarHBondContact O-SG 3Å; L26-C29 VanDerWaalsContact O-SG 3.4Å; C29-L49 HydrophobicContact CB-CB 4.2Å; C29-L49 HydrophobicContact CB-CD1 4.27Å; C29-Q50 VanDerWaalsContact CA-O 3.29Å; C29-Q50 WeakPolarHBondContact CA-O 3.3Å; C29-H51 VanDerWaalsContact SG-CD2 3.59Å
30	V	88.2	Confident	75.8	Confident	13 Å²	13	55.8 Å²	55.8	8%	0.079	35%	0.347	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-127.3	153.6	174.9	-66	0	0	0	0	109.4	V22 R24 L32 L49 Q50	V22-V30 HydrophobicContact CG1-CB 4.02Å; V22-V30 HydrophobicContact CG1-CG1 4Å; R24-V30 HydrophobicContact CG-CG1 4.45Å; V30-L32 PolarHBondContact O-N 3.29Å; V30-L49 CarbonylContact O-C 3.57Å; V30-L49 VanDerWaalsContact O-CA 3.29Å; V30-L49 WeakPolarHBondContact O-CA 3.38Å; V30-Q50 HydrophobicContact CG2-CB 4.12Å; V30-Q50 PolarHBondContact N-O 2.85Å; V30-Q50 PolarHBondContact O-N 2.64Å
31	P	88.5	Confident	76.5	Confident	35 Å²	35	55 Å²	55	23%	0.227	33%	0.33	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-54.1	138.4	169.4	-25.8	36.5	0	0	0	111.2	L25 S33 Y41	L25-P31 HydrophobicContact CD1-CG 4.16Å; P31-S33 PolarHBondContact O-N 3.43Å; P31-Y41 HydrophobicContact CB-CD1 4.47Å; P31-Y41 HydrophobicContact CB-CG 4.49Å; P31-Y41 HydrophobicContact CG-CD1 3.85Å; P31-Y41 HydrophobicContact CG-CG 4.28Å
32	L	89.4	Confident	76.5	Confident	22 Å²	22	52.5 Å²	52.5	12%	0.115	33%	0.326	C	S	.	.			trans	-66.8	103.5	176.9	-173.2	69.5	0	0	0	109.9	V30 H34 Q35 I48 Q50 V56	V30-L32 PolarHBondContact O-N 3.29Å; L32-H34 VanDerWaalsContact CD1-CE1 3.42Å; L32-H34 WeakPolarHBondContact CD1-CE1 3.44Å; L32-H34 WeakPolarHBondContact CD1-NE2 3.24Å; L32-H34 PolarHBondContact O-N 3.13Å; L32-Q35 HydrophobicContact CB-CB 4.49Å; L32-Q35 HydrophobicContact CD2-CB 4.23Å; L32-Q35 HydrophobicContact CG-CB 4.46Å; L32-Q35 PolarHBondContact O-N 3.45Å; L32-I48 HydrophobicContact CB-CB 4.22Å; L32-I48 HydrophobicContact CB-CG2 4.09Å; L32-I48 WeakPolarHBondContact CB-O 3.32Å; L32-I48 HydrophobicContact CD2-CB 4.24Å; L32-I48 HydrophobicContact CD2-CG2 3.76Å; L32-I48 PolarHBondContact N-O 2.9Å; L32-Q50 HydrophobicContact CD1-CB 3.98Å; L32-Q50 HydrophobicContact CD1-CG 4.16Å; L32-V56 HydrophobicContact CD1-CG1 4.07Å; L32-V56 HydrophobicContact CD2-CG1 4.29Å
33	S	86.3	Confident	76.6	Confident	67 Å²	67	57.6 Å²	57.6	47%	0.469	34%	0.342	S	S	.	.	T	Hydrogen-bonded Turn	trans	-63.9	-23.4	-169.4	40.9	0	0	0	0	114.9	P31 N276	P31-S33 PolarHBondContact O-N 3.43Å; S33-N276 PolarHBondContact OG-ND2 3.32Å
34	H	87.8	Confident	76.5	Confident	5 Å²	5	56.8 Å²	56.8	2%	0.023	33%	0.333	C	S	.	.	T	Hydrogen-bonded Turn	trans	-113.3	20	-173.9	49.2	-82.7	0	0	0	113.3	L32 V36 T117 I125 N275	L32-H34 VanDerWaalsContact CD1-CE1 3.42Å; L32-H34 WeakPolarHBondContact CD1-CE1 3.44Å; L32-H34 WeakPolarHBondContact CD1-NE2 3.24Å; L32-H34 PolarHBondContact O-N 3.13Å; H34-V36 PolarHBondContact O-N 2.97Å; H34-T117 PolarHBondContact NE2-OG1 2.96Å; H34-I125 HydrophobicContact CB-CD1 3.8Å; H34-I125 VanDerWaalsContact CD2-CD1 3.42Å; H34-I125 WeakPolarHBondContact CD2-CD1 3.38Å; H34-I125 WeakPolarHBondContact O-CD1 3.43Å; H34-N275 PolarHBondContact ND1-OD1 3.12Å
35	Q	89.8	Confident	76.2	Confident	25 Å²	25	57.5 Å²	57.5	12%	0.117	34%	0.342	C	S	.	.			trans	-63.2	120.8	172.9	-175.2	177.7	-13.8	0	0	110.8	L32 A37 H39 I48	L32-Q35 HydrophobicContact CB-CB 4.49Å; L32-Q35 HydrophobicContact CD2-CB 4.23Å; L32-Q35 HydrophobicContact CG-CB 4.46Å; L32-Q35 PolarHBondContact O-N 3.45Å; Q35-A37 VanDerWaalsContact CG-O 3.23Å; Q35-A37 WeakPolarHBondContact CG-O 3.4Å; Q35-A37 PolarHBondContact NE2-O 2.82Å; Q35-H39 PolarHBondContact NE2-O 3.47Å; Q35-I48 HydrophobicContact CG-CD1 4.5Å
36	V	91.6	Very high	75.9	Confident	28 Å²	28	56.9 Å²	56.9	17%	0.17	34%	0.339	C	S	.	.			trans	-96	-16.7	-176	-60.5	0	0	0	0	114.5	H34 I125 D127 R165	H34-V36 PolarHBondContact O-N 2.97Å; V36-I125 HydrophobicContact CG1-CB 3.98Å; V36-I125 HydrophobicContact CG1-CG2 4.01Å; V36-I125 HydrophobicContact CG2-CG2 3.83Å; V36-D127 HydrophobicContact CG2-CB 3.78Å; V36-R165 HydrophobicContact CG1-CB 3.56Å
37	A	89.2	Confident	76.1	Confident	19 Å²	19	54.7 Å²	54.7	16%	0.157	33%	0.328	C	S	.	.	S	Bend	trans	-154.1	169.7	-177.6	0	0	0	0	0	111.9	Q35 D127 L162	Q35-A37 VanDerWaalsContact CG-O 3.23Å; Q35-A37 WeakPolarHBondContact CG-O 3.4Å; Q35-A37 PolarHBondContact NE2-O 2.82Å; A37-D127 HydrophobicContact CB-CB 3.78Å; A37-L162 HydrophobicContact CB-CB 3.63Å; A37-L162 HydrophobicContact CB-CD1 4.28Å
38	G	81.3	Confident	76.9	Confident	59 Å²	59	52.7 Å²	52.7	61%	0.608	30%	0.299	S	S	*	.	S	Bend	trans	85.3	-165.7	179.7	0	0	0	0	0	114.1	M40	G38-M40 PolarHBondContact O-N 2.97Å
39	H	72.6	Confident	77.4	Confident	55 Å²	55	52 Å²	52	26%	0.255	29%	0.291	S	S	.	.	P	Polyproline II helix	trans	-75.6	118.6	-179.9	-55.7	90	0	0	0	109.2	Q35 D44 V46 G47 Q61	Q35-H39 PolarHBondContact NE2-O 3.47Å; H39-D44 WeakPolarHBondContact CA-OD2 3.16Å; H39-D44 HydrophobicContact CB-CB 4.02Å; H39-D44 WeakPolarHBondContact CB-OD2 3.31Å; H39-D44 IonicContact CD2-OD2 3.65Å; H39-D44 PolarHBondContact CD2-OD2 2.93Å; H39-D44 VanDerWaalsContact CD2-OD2 3.31Å; H39-D44 IonicContact CG-OD2 3.43Å; H39-V46 CarbonylContact C-O 3.59Å; H39-V46 HydrophobicContact CB-CB 4.25Å; H39-V46 HydrophobicContact CB-CG1 4.36Å; H39-V46 VanDerWaalsContact CB-O 3.28Å; H39-V46 WeakPolarHBondContact CB-O 3.48Å; H39-G47 WeakPolarHBondContact O-CA 3.33Å; H39-Q61 PolarHBondContact CE1-NE2 2.86Å
40	M	64.4	Low	77.7	Confident	85 Å²	85	52.3 Å²	52.3	42%	0.419	29%	0.293	S	S	.	.	P	Polyproline II helix	trans	-92.7	136.8	179.5	-62.5	-177	83.1	0	0	109.7	G38 G42 K43 D44	G38-M40 PolarHBondContact O-N 2.97Å; M40-G42 PolarHBondContact O-N 3.15Å; M40-K43 PolarHBondContact O-N 2.83Å; M40-D44 PolarHBondContact O-N 3.06Å
41	Y	59.5	Low	77.9	Confident	96 Å²	96	53.5 Å²	53.5	38%	0.376	30%	0.298	S	S	.	.	B	Isolated β-bridge	trans	-56.2	126.1	176.3	-165.5	-89.9	0	0	0	110.4	L25 P31 L49	L25-Y41 HydrophobicContact CD1-CD1 4.06Å; L25-Y41 HydrophobicContact CD1-CE1 3.34Å; L25-Y41 HydrophobicContact CD1-CE2 4Å; L25-Y41 WeakPolarHBondContact CD1-OH 3.43Å; P31-Y41 HydrophobicContact CB-CD1 4.47Å; P31-Y41 HydrophobicContact CB-CG 4.49Å; P31-Y41 HydrophobicContact CG-CD1 3.85Å; P31-Y41 HydrophobicContact CG-CG 4.28Å; Y41-L49 HydrophobicContact CD2-CD2 3.6Å; Y41-L49 HydrophobicContact CE2-CD2 3.9Å; Y41-L49 HydrophobicContact CG-CD2 4.07Å
42	G	57.8	Low	77.9	Confident	69 Å²	69	54.4 Å²	54.4	71%	0.711	30%	0.303	S	S	*	.	T	Hydrogen-bonded Turn	trans	102.2	-32.8	178.2	0	0	0	0	0	114.9	M40 D44	M40-G42 PolarHBondContact O-N 3.15Å; G42-D44 PolarHBondContact N-O 3.01Å
43	K	58.6	Low	78	Confident	179 Å²	179	57.5 Å²	57.5	78%	0.778	32%	0.32	S	S	*	.	T	Hydrogen-bonded Turn	trans	-80.8	-43.8	168.8	-76.5	-173	-179.9	176.5	0	110.8	M40	M40-K43 PolarHBondContact O-N 2.83Å
44	D	56	Low	78.2	Confident	70 Å²	70	55 Å²	55	37%	0.374	31%	0.305	S	S	.	.	B	Isolated β-bridge	trans	-107.9	150.2	172.2	-61.3	-56.8	0	0	0	107.9	H39 M40 G42 V46	H39-D44 WeakPolarHBondContact CA-OD2 3.16Å; H39-D44 HydrophobicContact CB-CB 4.02Å; H39-D44 WeakPolarHBondContact CB-OD2 3.31Å; H39-D44 IonicContact CD2-OD2 3.65Å; H39-D44 PolarHBondContact CD2-OD2 2.93Å; H39-D44 VanDerWaalsContact CD2-OD2 3.31Å; H39-D44 IonicContact CG-OD2 3.43Å; M40-D44 PolarHBondContact O-N 3.06Å; G42-D44 PolarHBondContact N-O 3.01Å; D44-V46 HydrophobicContact CB-CB 4.42Å; D44-V46 WeakPolarHBondContact CB-O 3.5Å; D44-V46 PolarHBondContact O-N 3.45Å
45	K	56.4	Low	78.6	Confident	200 Å²	200	55.1 Å²	55.1	87%	0.87	31%	0.306	S	S	*	.	S	Bend	trans	-63.8	5.9	167.3	-66.3	-172.6	178.4	-176.2	0	112.7	Q59	K45-Q59 PolarHBondContact O-NE2 3.39Å; K45-Q59 PolarHBondContact O-OE1 3.12Å
46	V	61.8	Low	78.9	Confident	24 Å²	24	54.6 Å²	54.6	15%	0.145	30%	0.304	C	S	.	.			trans	-128.5	124.4	-172.9	-173.4	0	0	0	0	107.1	H39 D44 Q59	H39-V46 CarbonylContact C-O 3.59Å; H39-V46 HydrophobicContact CB-CB 4.25Å; H39-V46 HydrophobicContact CB-CG1 4.36Å; H39-V46 VanDerWaalsContact CB-O 3.28Å; H39-V46 WeakPolarHBondContact CB-O 3.48Å; D44-V46 HydrophobicContact CB-CB 4.42Å; D44-V46 WeakPolarHBondContact CB-O 3.5Å; D44-V46 PolarHBondContact O-N 3.45Å; V46-Q59 VanDerWaalsContact CA-OE1 3.29Å; V46-Q59 HydrophobicContact CG1-CB 3.89Å; V46-Q59 HydrophobicContact CG1-CG 4.25Å
47	G	76.9	Confident	79.1	Confident	3 Å²	3	53.3 Å²	53.3	3%	0.031	30%	0.296	C	S	.	.			trans	-151	172.8	177	0	0	0	0	0	112.1	H39 Q59	H39-G47 WeakPolarHBondContact O-CA 3.33Å; G47-Q59 PolarHBondContact O-N 2.95Å
48	I	90.7	Very high	79.4	Confident	37 Å²	37	53.6 Å²	53.6	19%	0.19	29%	0.294	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-94.3	126.1	167.9	-55.2	-179.5	0	0	0	107.9	L32 Q35 V56 L57 K58	L32-I48 HydrophobicContact CB-CB 4.22Å; L32-I48 HydrophobicContact CB-CG2 4.09Å; L32-I48 WeakPolarHBondContact CB-O 3.32Å; L32-I48 HydrophobicContact CD2-CB 4.24Å; L32-I48 HydrophobicContact CD2-CG2 3.76Å; L32-I48 PolarHBondContact N-O 2.9Å; Q35-I48 HydrophobicContact CG-CD1 4.5Å; I48-V56 HydrophobicContact CG2-CB 3.7Å; I48-V56 HydrophobicContact CG2-CG1 4.1Å; I48-V56 HydrophobicContact CG2-CG2 4.24Å; I48-L57 WeakPolarHBondContact CA-O 3.28Å; I48-K58 HydrophobicContact CG1-CG 4.42Å
49	L	92.1	Very high	79.9	Confident	0 Å²	0	52.2 Å²	52.2	0%	0	27%	0.272	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-103.1	141.3	172.4	-53.6	175.3	0	0	0	109	L25 L26 C29 V30 Y41 V56 L57 Y110	L25-L49 HydrophobicContact CD1-CD2 4.04Å; L26-L49 HydrophobicContact CD1-CD1 4.05Å; C29-L49 HydrophobicContact CB-CB 4.2Å; C29-L49 HydrophobicContact CB-CD1 4.27Å; V30-L49 CarbonylContact O-C 3.57Å; V30-L49 VanDerWaalsContact O-CA 3.29Å; V30-L49 WeakPolarHBondContact O-CA 3.38Å; Y41-L49 HydrophobicContact CD2-CD2 3.6Å; Y41-L49 HydrophobicContact CE2-CD2 3.9Å; Y41-L49 HydrophobicContact CG-CD2 4.07Å; L49-V56 CarbonylContact O-C 3.57Å; L49-V56 VanDerWaalsContact O-CA 3.26Å; L49-V56 WeakPolarHBondContact O-CA 3.46Å; L49-L57 HydrophobicContact CB-CB 4.24Å; L49-L57 PolarHBondContact N-O 2.92Å; L49-L57 PolarHBondContact O-N 3Å; L49-Y110 HydrophobicContact CD1-CE1 3.97Å
50	Q	92.1	Very high	80.9	Confident	8 Å²	8	51.3 Å²	51.3	4%	0.037	27%	0.269	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-85.9	128.1	165.5	-159	176.8	25.5	0	0	108.6	C29 V30 L32 D115	C29-Q50 VanDerWaalsContact CA-O 3.29Å; C29-Q50 WeakPolarHBondContact CA-O 3.3Å; V30-Q50 HydrophobicContact CG2-CB 4.12Å; V30-Q50 PolarHBondContact N-O 2.85Å; V30-Q50 PolarHBondContact O-N 2.64Å; L32-Q50 HydrophobicContact CD1-CB 3.98Å; L32-Q50 HydrophobicContact CD1-CG 4.16Å; Q50-D115 PolarHBondContact NE2-OD2 3.13Å
51	H	92.4	Very high	82.2	Confident	38 Å²	38	47.9 Å²	47.9	18%	0.176	25%	0.251	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-94.2	146.2	177.6	-174.5	-86.7	0	0	0	109.6	C29 D53 G54 T55 L57 K112	C29-H51 VanDerWaalsContact SG-CD2 3.59Å; H51-D53 IonicContact CE1-OD1 3.99Å; H51-D53 IonicContact CE1-OD2 3.74Å; H51-D53 IonicContact CG-OD1 3.52Å; H51-D53 PolarHBondContact ND1-N 3.44Å; H51-D53 IonicContact ND1-OD1 2.64Å; H51-D53 PolarHBondContact ND1-OD1 3.34Å; H51-D53 IonicContact ND1-OD2 3.76Å; H51-D53 PolarHBondContact ND1-OD2 2.73Å; H51-D53 PolarHBondContact O-N 3.04Å; H51-G54 PolarHBondContact O-N 3.34Å; H51-G54 VanDerWaalsContact O-N 3.15Å; H51-T55 PolarHBondContact N-O 3.48Å; H51-L57 HydrophobicContact CB-CD1 4.38Å; H51-L57 HydrophobicContact CB-CG 4.22Å; H51-K112 PolarHBondContact ND1-NZ 3.29Å
52	P	89.2	Confident	83.7	Confident	54 Å²	54	46.7 Å²	46.7	35%	0.351	26%	0.256	S	S	.	.	T	Hydrogen-bonded Turn	trans	-59.5	-11.4	-176.7	-27.6	35.7	0	0	0	116.8	G28 G54 F278	G28-P52 WeakPolarHBondContact O-CG 3.4Å; P52-G54 VanDerWaalsContact C-N 3.34Å; P52-F278 HydrophobicContact CB-CD2 4.22Å; P52-F278 HydrophobicContact CB-CE2 3.97Å; P52-F278 HydrophobicContact CB-CZ 4.17Å; P52-F278 HydrophobicContact CG-CE2 3.86Å; P52-F278 HydrophobicContact CG-CZ 3.88Å
53	D	91.9	Very high	85.4	Confident	87 Å²	87	48.7 Å²	48.7	47%	0.465	26%	0.256	S	S	.	.	T	Hydrogen-bonded Turn	trans	-92.7	11.4	179.5	70.6	-9.3	0	0	0	113.5	H51 T55 K112	H51-D53 IonicContact CE1-OD1 3.99Å; H51-D53 IonicContact CE1-OD2 3.74Å; H51-D53 IonicContact CG-OD1 3.52Å; H51-D53 PolarHBondContact ND1-N 3.44Å; H51-D53 IonicContact ND1-OD1 2.64Å; H51-D53 PolarHBondContact ND1-OD1 3.34Å; H51-D53 IonicContact ND1-OD2 3.76Å; H51-D53 PolarHBondContact ND1-OD2 2.73Å; H51-D53 PolarHBondContact O-N 3.04Å; D53-T55 WeakPolarHBondContact OD1-CB 3.28Å; D53-T55 WeakPolarHBondContact OD1-CG2 3.45Å; D53-T55 PolarHBondContact OD1-N 2.89Å; D53-T55 VanDerWaalsContact OD1-N 3.14Å; D53-T55 PolarHBondContact OD1-OG1 3.28Å; D53-K112 IonicContact OD1-NZ 3.54Å; D53-K112 PolarHBondContact OD1-NZ 3.32Å; D53-K112 WeakPolarHBondContact OD2-CE 2.89Å; D53-K112 IonicContact OD2-NZ 2.67Å; D53-K112 PolarHBondContact OD2-NZ 2.92Å
54	G	90.8	Very high	87.2	Confident	14 Å²	14	43.9 Å²	43.9	14%	0.144	24%	0.243	C	C	.	.	T	Hydrogen-bonded Turn	trans	80.6	16.3	-179.3	0	0	0	0	0	114.4	H51 P52 D115 H118	H51-G54 PolarHBondContact O-N 3.34Å; H51-G54 VanDerWaalsContact O-N 3.15Å; P52-G54 VanDerWaalsContact C-N 3.34Å; G54-D115 VanDerWaalsContact O-CB 3.26Å; G54-D115 WeakPolarHBondContact O-CB 3.01Å; G54-H118 VanDerWaalsContact CA-CD2 3.48Å; G54-H118 WeakPolarHBondContact CA-CD2 3.45Å
55	T	96.2	Very high	89	Confident	8 Å²	8	44.2 Å²	44.2	5%	0.049	24%	0.239	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-105.9	167.7	171.6	64	0	0	0	0	111.6	H51 D53 Y97 K112 L113	H51-T55 PolarHBondContact N-O 3.48Å; D53-T55 WeakPolarHBondContact OD1-CB 3.28Å; D53-T55 WeakPolarHBondContact OD1-CG2 3.45Å; D53-T55 PolarHBondContact OD1-N 2.89Å; D53-T55 VanDerWaalsContact OD1-N 3.14Å; D53-T55 PolarHBondContact OD1-OG1 3.28Å; T55-Y97 HydrophobicContact CG2-CD2 3.95Å; T55-Y97 HydrophobicContact CG2-CE2 3.79Å; T55-K112 WeakPolarHBondContact OG1-CE 3.27Å; T55-K112 PolarHBondContact OG1-NZ 3.46Å; T55-L113 CarbonylContact C-O 3.49Å; T55-L113 WeakPolarHBondContact CA-O 3.44Å; T55-L113 WeakPolarHBondContact CB-O 3.3Å
56	V	96.2	Very high	90.8	Very high	14 Å²	14	34.7 Å²	34.7	9%	0.085	20%	0.198	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-110.4	147.2	168.3	-61.5	0	0	0	0	111.5	L32 I48 L49 K112 L113 D115	L32-V56 HydrophobicContact CD1-CG1 4.07Å; L32-V56 HydrophobicContact CD2-CG1 4.29Å; I48-V56 HydrophobicContact CG2-CB 3.7Å; I48-V56 HydrophobicContact CG2-CG1 4.1Å; I48-V56 HydrophobicContact CG2-CG2 4.24Å; L49-V56 CarbonylContact O-C 3.57Å; L49-V56 VanDerWaalsContact O-CA 3.26Å; L49-V56 WeakPolarHBondContact O-CA 3.46Å; V56-K112 WeakPolarHBondContact O-CA 3.46Å; V56-L113 HydrophobicContact CG2-CB 3.9Å; V56-L113 PolarHBondContact N-O 3.47Å; V56-L113 PolarHBondContact O-N 2.85Å; V56-D115 HydrophobicContact CG1-CB 3.81Å
57	L	95.1	Very high	92.5	Very high	0 Å²	0	35.8 Å²	35.8	0%	0	21%	0.206	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-107.5	106.6	171.9	-58.6	174.8	0	0	0	108.2	I48 L49 H51 W100 Y110 L111 K112	I48-L57 WeakPolarHBondContact CA-O 3.28Å; L49-L57 HydrophobicContact CB-CB 4.24Å; L49-L57 PolarHBondContact N-O 2.92Å; L49-L57 PolarHBondContact O-N 3Å; H51-L57 HydrophobicContact CB-CD1 4.38Å; H51-L57 HydrophobicContact CB-CG 4.22Å; L57-W100 HydrophobicContact CD1-CD2 3.93Å; L57-W100 HydrophobicContact CD1-CE3 3.59Å; L57-W100 HydrophobicContact CD1-CH2 3.87Å; L57-W100 HydrophobicContact CD1-CZ2 4.22Å; L57-W100 HydrophobicContact CD1-CZ3 3.56Å; L57-W100 HydrophobicContact CD2-CB 3.88Å; L57-W100 HydrophobicContact CD2-CD2 3.91Å; L57-W100 HydrophobicContact CD2-CE3 4.02Å; L57-W100 HydrophobicContact CD2-CG 3.86Å; L57-W100 HydrophobicContact CG-CE3 4.38Å; L57-Y110 HydrophobicContact CB-CD1 3.74Å; L57-Y110 HydrophobicContact CB-CG 4.07Å; L57-L111 WeakPolarHBondContact CA-O 3.42Å; L57-K112 HydrophobicContact CD2-CB 3.92Å; L57-K112 HydrophobicContact CD2-CD 4.38Å; L57-K112 HydrophobicContact CD2-CG 3.85Å
58	K	94.8	Very high	93.5	Very high	26 Å²	26	38 Å²	38	11%	0.113	21%	0.213	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-92.1	112	174.2	-177.5	-179.3	-177.2	-176.3	0	108.8	I48 E69 Y110 L111 L113 D365	I48-K58 HydrophobicContact CG1-CG 4.42Å; K58-E69 WeakPolarHBondContact CE-OE2 3.23Å; K58-E69 IonicContact NZ-OE1 3.39Å; K58-E69 PolarHBondContact NZ-OE1 3.24Å; K58-E69 IonicContact NZ-OE2 3.26Å; K58-E69 PolarHBondContact NZ-OE2 3.39Å; K58-Y110 CarbonylContact O-C 3.46Å; K58-Y110 WeakPolarHBondContact O-CA 3.33Å; K58-L111 HydrophobicContact CB-CB 4.41Å; K58-L111 PolarHBondContact N-O 2.57Å; K58-L111 PolarHBondContact O-N 3.37Å; K58-L113 HydrophobicContact CB-CD1 4.26Å; K58-L113 HydrophobicContact CD-CD1 4.47Å; K58-D365 IonicContact NZ-OD1 3.27Å; K58-D365 PolarHBondContact NZ-OD1 2.87Å
59	Q	93.2	Very high	93.8	Very high	30 Å²	30	36.2 Å²	36.2	14%	0.14	20%	0.204	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-63.7	138.1	179	-170.3	171.1	-2.4	0	0	111.2	K45 V46 G47 Q61 Y110	K45-Q59 PolarHBondContact O-NE2 3.39Å; K45-Q59 PolarHBondContact O-OE1 3.12Å; V46-Q59 VanDerWaalsContact CA-OE1 3.29Å; V46-Q59 HydrophobicContact CG1-CB 3.89Å; V46-Q59 HydrophobicContact CG1-CG 4.25Å; G47-Q59 PolarHBondContact O-N 2.95Å; Q59-Q61 PolarHBondContact O-N 3.35Å; Q59-Y110 VanDerWaalsContact CA-CD1 3.45Å; Q59-Y110 HydrophobicContact CB-CD1 3.69Å; Q59-Y110 HydrophobicContact CB-CE1 3.53Å; Q59-Y110 HydrophobicContact CG-CD1 4.27Å; Q59-Y110 HydrophobicContact CG-CE1 3.89Å
60	L	92.8	Very high	94.1	Very high	35 Å²	35	38 Å²	38	18%	0.183	21%	0.213	C	C	.	.	P	Polyproline II helix	trans	-62.4	128	177	-94.5	66.1	0	0	0	110.2	L70 V109 L111	L60-L70 HydrophobicContact CD2-CB 4.39Å; L60-L70 HydrophobicContact CD2-CD2 4.13Å; L60-V109 HydrophobicContact CD1-CB 4.4Å; L60-V109 HydrophobicContact CD1-CG1 3.99Å; L60-V109 WeakPolarHBondContact CD1-O 3.27Å; L60-V109 HydrophobicContact CD2-CB 4.25Å; L60-V109 HydrophobicContact CD2-CG1 3.96Å; L60-V109 PolarHBondContact N-O 2.74Å; L60-L111 HydrophobicContact CD1-CD2 4.23Å; L60-L111 HydrophobicContact CD1-CG 3.83Å
61	Q	91.7	Very high	94.4	Very high	13 Å²	13	44 Å²	44	6%	0.061	24%	0.241	C	C	.	.	P	Polyproline II helix	trans	-67.8	156.4	172.8	-63.4	-176.8	6.3	0	0	110.8	H39 Q59 R65 G66	H39-Q61 PolarHBondContact CE1-NE2 2.86Å; Q59-Q61 PolarHBondContact O-N 3.35Å; Q61-R65 HydrophobicContact CB-CB 3.87Å; Q61-R65 VanDerWaalsContact OE1-CD 3.26Å; Q61-G66 WeakPolarHBondContact O-CA 3.44Å; Q61-G66 PolarHBondContact O-N 3.4Å; Q61-G66 VanDerWaalsContact O-N 3.15Å
62	P	90.9	Very high	94.7	Very high	72 Å²	72	42.7 Å²	42.7	47%	0.468	24%	0.235	S	C	.	.	T	Hydrogen-bonded Turn	trans	-52.3	146.2	173.2	-27.5	35.1	0	0	0	112.4	R65	P62-R65 PolarHBondContact O-N 2.77Å; P62-R65 VanDerWaalsContact O-N 3.17Å
63	P	94	Very high	95.1	Very high	110 Å²	110	40.2 Å²	40.2	71%	0.714	22%	0.219	S	C	*	.	T	Hydrogen-bonded Turn	trans	-53.1	145.7	177.1	-26.8	34.8	0	0	0	112.7	P67	P63-P67 HydrophobicContact CB-CG 4.32Å; P63-P67 HydrophobicContact CG-CG 4.22Å
64	P	95.5	Very high	95.4	Very high	78 Å²	78	39.5 Å²	39.5	51%	0.506	22%	0.217	S	C	.	.	T	Hydrogen-bonded Turn	cis	-87.5	-0.7	3.2	35.5	-36.7	0	0	0	114.3	R68	P64-R68 VanDerWaalsContact O-CB 3.31Å; P64-R68 WeakPolarHBondContact O-CB 3.47Å; P64-R68 PolarHBondContact O-N 3.48Å; P64-R68 VanDerWaalsContact O-N 3.14Å
65	R	94.8	Very high	95.8	Very high	77 Å²	77	42.4 Å²	42.4	29%	0.291	23%	0.228	S	C	.	.	H	α-helix	trans	-67.1	-51.3	-168	-72.7	-178.6	-66.5	158.5	-4.8	113.7	Q61 P62 R68 E69 A367 H368	Q61-R65 HydrophobicContact CB-CB 3.87Å; Q61-R65 VanDerWaalsContact OE1-CD 3.26Å; P62-R65 PolarHBondContact O-N 2.77Å; P62-R65 VanDerWaalsContact O-N 3.17Å; R65-R68 PolarHBondContact O-N 2.92Å; R65-E69 PolarHBondContact O-N 3.43Å; R65-A367 HydrophobicContact CB-CB 3.87Å; R65-A367 HydrophobicContact CG-CB 4.22Å; R65-H368 WeakPolarHBondContact CD-NE2 3.44Å
66	G	94.2	Very high	95.9	Very high	0 Å²	0	42 Å²	42	0%	0	23%	0.226	C	C	.	.	H	α-helix	trans	-62.4	-50.9	179.9	0	0	0	0	0	113.2	Q61 R68 E69 L70	Q61-G66 WeakPolarHBondContact O-CA 3.44Å; Q61-G66 PolarHBondContact O-N 3.4Å; Q61-G66 VanDerWaalsContact O-N 3.15Å; G66-R68 VanDerWaalsContact C-N 3.29Å; G66-R68 PolarHBondContact O-N 2.91Å; G66-E69 PolarHBondContact O-N 2.75Å; G66-L70 PolarHBondContact O-N 3.43Å
67	P	96.5	Very high	96	Very high	48 Å²	48	43.8 Å²	43.8	31%	0.312	23%	0.231	S	C	.	.	H	α-helix	trans	-55.9	-41.1	174.7	-28.7	36.4	0	0	0	113.3	P63 L70 E71	P63-P67 HydrophobicContact CB-CG 4.32Å; P63-P67 HydrophobicContact CG-CG 4.22Å; P67-L70 WeakPolarHBondContact O-CB 3.35Å; P67-L70 PolarHBondContact O-N 2.72Å; P67-E71 WeakPolarHBondContact O-CB 3.41Å; P67-E71 WeakPolarHBondContact O-CG 3.42Å; P67-E71 PolarHBondContact O-N 3.06Å
68	R	97.9	Very high	96.1	Very high	48 Å²	48	45 Å²	45	18%	0.181	24%	0.242	C	C	.	.	H	α-helix	trans	-64.6	-43.3	178	-168.9	177	-54	119.7	-7.7	112.7	P64 R65 G66 L70 E71 F72 A367 V369	P64-R68 VanDerWaalsContact O-CB 3.31Å; P64-R68 WeakPolarHBondContact O-CB 3.47Å; P64-R68 PolarHBondContact O-N 3.48Å; P64-R68 VanDerWaalsContact O-N 3.14Å; R65-R68 PolarHBondContact O-N 2.92Å; G66-R68 VanDerWaalsContact C-N 3.29Å; G66-R68 PolarHBondContact O-N 2.91Å; R68-L70 VanDerWaalsContact C-N 3.32Å; R68-L70 PolarHBondContact O-N 3.17Å; R68-E71 PolarHBondContact O-N 3.19Å; R68-F72 WeakPolarHBondContact O-CB 3.38Å; R68-F72 PolarHBondContact O-N 2.91Å; R68-A367 WeakPolarHBondContact CD-O 3.45Å; R68-A367 PolarHBondContact NH1-O 3.37Å; R68-V369 WeakPolarHBondContact CD-O 3.36Å
69	E	98.1	Very high	96.2	Very high	1 Å²	1	49.1 Å²	49.1	1%	0.005	28%	0.281	C	S	.	.	H	α-helix	trans	-63.7	-40.2	176.2	-171.8	167.5	-145.3	0	0	111.6	K58 R65 G66 F72 Y73 L111 F366	K58-E69 WeakPolarHBondContact CE-OE2 3.23Å; K58-E69 IonicContact NZ-OE1 3.39Å; K58-E69 PolarHBondContact NZ-OE1 3.24Å; K58-E69 IonicContact NZ-OE2 3.26Å; K58-E69 PolarHBondContact NZ-OE2 3.39Å; R65-E69 PolarHBondContact O-N 3.43Å; G66-E69 PolarHBondContact O-N 2.75Å; E69-F72 PolarHBondContact O-N 3.27Å; E69-Y73 HydrophobicContact CG-CD2 4.01Å; E69-Y73 HydrophobicContact CG-CE2 3.94Å; E69-Y73 WeakPolarHBondContact O-CD2 3.41Å; E69-Y73 PolarHBondContact O-N 2.88Å; E69-Y73 VanDerWaalsContact O-N 3.07Å; E69-L111 HydrophobicContact CB-CD1 4.34Å; E69-L111 HydrophobicContact CG-CD1 3.65Å; E69-F366 HydrophobicContact CG-CB 4.12Å; E69-F366 PolarHBondContact OE1-N 3.08Å
70	L	97.9	Very high	96.4	Very high	38 Å²	38	54.6 Å²	54.6	20%	0.199	31%	0.311	C	S	.	.	H	α-helix	trans	-61.8	-47.4	174	171.5	59.8	0	0	0	112.2	L60 G66 P67 R68 F72 Y73 T74 Y96 V99 L111	L60-L70 HydrophobicContact CD2-CB 4.39Å; L60-L70 HydrophobicContact CD2-CD2 4.13Å; G66-L70 PolarHBondContact O-N 3.43Å; P67-L70 WeakPolarHBondContact O-CB 3.35Å; P67-L70 PolarHBondContact O-N 2.72Å; R68-L70 VanDerWaalsContact C-N 3.32Å; R68-L70 PolarHBondContact O-N 3.17Å; L70-F72 VanDerWaalsContact C-N 3.3Å; L70-F72 PolarHBondContact O-N 3.19Å; L70-Y73 PolarHBondContact O-N 3.01Å; L70-T74 WeakPolarHBondContact O-CB 3.42Å; L70-T74 PolarHBondContact O-N 3.44Å; L70-T74 PolarHBondContact O-OG1 3.44Å; L70-Y96 WeakPolarHBondContact CD1-OH 3.31Å; L70-V99 HydrophobicContact CD1-CG2 3.33Å; L70-V99 HydrophobicContact CD2-CG2 4.16Å; L70-V99 HydrophobicContact CG-CG2 4.41Å; L70-L111 HydrophobicContact CB-CD2 4.11Å; L70-L111 HydrophobicContact CD1-CD2 3.64Å; L70-L111 HydrophobicContact CG-CD2 4.49Å
71	E	98.1	Very high	96.6	Very high	134 Å²	134	54 Å²	54	63%	0.626	31%	0.31	S	S	*	.	H	α-helix	trans	-59.7	-42.2	177	-76.5	171.7	-174.2	0	0	111.2	P67 R68 T74 M75	P67-E71 WeakPolarHBondContact O-CB 3.41Å; P67-E71 WeakPolarHBondContact O-CG 3.42Å; P67-E71 PolarHBondContact O-N 3.06Å; R68-E71 PolarHBondContact O-N 3.19Å; E71-T74 PolarHBondContact O-N 3Å; E71-M75 VanDerWaalsContact O-CB 3.28Å; E71-M75 WeakPolarHBondContact O-CB 3.47Å; E71-M75 PolarHBondContact O-N 3.02Å
72	F	98.6	Very high	96.8	Very high	9 Å²	9	57.9 Å²	57.9	4%	0.039	34%	0.343	C	S	.	.	H	α-helix	trans	-58.7	-53.2	175.6	171.5	-94.7	0	0	0	112.1	R68 E69 L70 T74 M75 V76 L89 L93 L229 F231 F366 V369	R68-F72 WeakPolarHBondContact O-CB 3.38Å; R68-F72 PolarHBondContact O-N 2.91Å; E69-F72 PolarHBondContact O-N 3.27Å; L70-F72 VanDerWaalsContact C-N 3.3Å; L70-F72 PolarHBondContact O-N 3.19Å; F72-T74 VanDerWaalsContact C-N 3.31Å; F72-T74 PolarHBondContact O-N 3.28Å; F72-M75 HydrophobicContact CD2-CE 4.07Å; F72-M75 HydrophobicContact CE2-CE 4.49Å; F72-M75 PolarHBondContact O-N 2.93Å; F72-V76 HydrophobicContact CD1-CG2 4.48Å; F72-V76 HydrophobicContact CD2-CG2 4.16Å; F72-V76 HydrophobicContact CE1-CG2 4.11Å; F72-V76 HydrophobicContact CE2-CG2 3.77Å; F72-V76 HydrophobicContact CZ-CG2 3.76Å; F72-V76 WeakPolarHBondContact O-CG2 3.4Å; F72-V76 PolarHBondContact O-N 3.29Å; F72-L89 HydrophobicContact CE2-CD2 4.24Å; F72-L89 HydrophobicContact CZ-CD2 3.95Å; F72-L93 HydrophobicContact CE1-CD2 3.65Å; F72-L93 HydrophobicContact CZ-CD2 3.91Å; F72-L229 HydrophobicContact CE2-CD1 4.28Å; F72-F231 AromaticContact CE2-CE1 3.85Å; F72-F231 HydrophobicContact CE2-CE1 3.85Å; F72-F231 AromaticContact CE2-CZ 3.93Å; F72-F231 HydrophobicContact CE2-CZ 3.93Å; F72-F231 AromaticContact CZ-CE1 3.82Å; F72-F231 HydrophobicContact CZ-CE1 3.82Å; F72-F231 HydrophobicContact CZ-CZ 4.15Å; F72-F366 HydrophobicContact CB-CB 4.35Å; F72-F366 HydrophobicContact CD1-CB 3.38Å; F72-F366 HydrophobicContact CD1-CD1 4.27Å; F72-F366 AromaticContact CD1-CD2 3.57Å; F72-F366 HydrophobicContact CD1-CD2 3.57Å; F72-F366 HydrophobicContact CD1-CE2 4.38Å; F72-F366 AromaticContact CD1-CG 3.48Å; F72-F366 HydrophobicContact CD1-CG 3.48Å; F72-F366 VanDerWaalsContact CD1-CG 3.48Å; F72-F366 HydrophobicContact CE1-CB 3.72Å; F72-F366 AromaticContact CE1-CD1 3.69Å; F72-F366 HydrophobicContact CE1-CD1 3.69Å; F72-F366 AromaticContact CE1-CD2 3.24Å; F72-F366 HydrophobicContact CE1-CD2 3.24Å; F72-F366 HydrophobicContact CE1-CE1 4.05Å; F72-F366 AromaticContact CE1-CE2 3.64Å; F72-F366 HydrophobicContact CE1-CE2 3.64Å; F72-F366 AromaticContact CE1-CG 3.24Å; F72-F366 HydrophobicContact CE1-CG 3.24Å; F72-F366 HydrophobicContact CE1-CZ 4Å; F72-F366 HydrophobicContact CG-CB 3.84Å; F72-F366 HydrophobicContact CG-CG 4.3Å; F72-F366 HydrophobicContact CZ-CB 4.4Å; F72-F366 AromaticContact CZ-CD1 3.87Å; F72-F366 HydrophobicContact CZ-CD1 3.87Å; F72-F366 HydrophobicContact CZ-CD2 4.22Å; F72-F366 HydrophobicContact CZ-CE1 4.11Å; F72-F366 HydrophobicContact CZ-CE2 4.43Å; F72-F366 AromaticContact CZ-CG 3.9Å; F72-F366 HydrophobicContact CZ-CG 3.9Å; F72-F366 HydrophobicContact CZ-CZ 4.36Å; F72-V369 HydrophobicContact CD2-CB 3.99Å; F72-V369 HydrophobicContact CD2-CG1 3.76Å; F72-V369 HydrophobicContact CD2-CG2 4.22Å; F72-V369 HydrophobicContact CE2-CB 4.37Å; F72-V369 HydrophobicContact CE2-CG1 3.86Å; F72-V369 HydrophobicContact CE2-CG2 4.3Å
73	Y	98.6	Very high	97.2	Very high	2 Å²	2	57.4 Å²	57.4	1%	0.008	34%	0.337	C	S	.	.	H	α-helix	trans	-62.1	-40.5	178.4	-84.7	-71.8	0	0	0	111.9	E69 L70 M75 V76 Y77 L93 Y96 L111 L113 F366	E69-Y73 HydrophobicContact CG-CD2 4.01Å; E69-Y73 HydrophobicContact CG-CE2 3.94Å; E69-Y73 WeakPolarHBondContact O-CD2 3.41Å; E69-Y73 PolarHBondContact O-N 2.88Å; E69-Y73 VanDerWaalsContact O-N 3.07Å; L70-Y73 PolarHBondContact O-N 3.01Å; Y73-M75 VanDerWaalsContact C-N 3.34Å; Y73-M75 PolarHBondContact O-N 3.11Å; Y73-V76 PolarHBondContact O-N 3.1Å; Y73-Y77 HydrophobicContact CD1-CD2 4.16Å; Y73-Y77 HydrophobicContact CD1-CE2 4.12Å; Y73-Y77 HydrophobicContact CE1-CE2 4.49Å; Y73-Y77 WeakPolarHBondContact O-CB 3.46Å; Y73-Y77 PolarHBondContact O-N 2.84Å; Y73-L93 HydrophobicContact CE1-CD2 4.38Å; Y73-Y96 HydrophobicContact CD1-CD2 4.12Å; Y73-Y96 HydrophobicContact CD1-CG 4.04Å; Y73-Y96 HydrophobicContact CG-CD2 4.06Å; Y73-Y96 HydrophobicContact CG-CE2 4.46Å; Y73-Y96 HydrophobicContact CG-CG 4.26Å; Y73-L111 HydrophobicContact CD2-CD1 3.9Å; Y73-L111 HydrophobicContact CD2-CD2 4.49Å; Y73-L111 HydrophobicContact CE2-CD1 4.04Å; Y73-L113 HydrophobicContact CD1-CD2 4.17Å; Y73-L113 HydrophobicContact CE1-CD2 3.68Å; Y73-L113 HydrophobicContact CE2-CD1 4.27Å; Y73-L113 HydrophobicContact CE2-CD2 4.06Å; Y73-F366 HydrophobicContact CD2-CD2 4.45Å; Y73-F366 HydrophobicContact CE1-CD2 4.32Å; Y73-F366 HydrophobicContact CE1-CE2 4.18Å; Y73-F366 AromaticContact CE2-CD2 3.67Å; Y73-F366 HydrophobicContact CE2-CD2 3.67Å; Y73-F366 HydrophobicContact CE2-CE2 4.24Å; Y73-F366 AromaticContact CZ-CD2 3.6Å; Y73-F366 AromaticContact CZ-CE2 3.67Å; Y73-F366 WeakPolarHBondContact OH-CE2 3.23Å
74	T	98	Very high	97.4	Very high	72 Å²	72	55.6 Å²	55.6	44%	0.442	33%	0.332	S	S	.	.	H	α-helix	trans	-62.2	-42.1	177.7	-56.7	0	0	0	0	111.5	L70 E71 F72 A78	L70-T74 WeakPolarHBondContact O-CB 3.42Å; L70-T74 PolarHBondContact O-N 3.44Å; L70-T74 PolarHBondContact O-OG1 3.44Å; E71-T74 PolarHBondContact O-N 3Å; F72-T74 VanDerWaalsContact C-N 3.31Å; F72-T74 PolarHBondContact O-N 3.28Å; T74-A78 WeakPolarHBondContact O-CA 3.4Å; T74-A78 WeakPolarHBondContact O-CB 3.46Å; T74-A78 PolarHBondContact O-N 3.35Å
75	M	97.9	Very high	97.5	Very high	76 Å²	76	53.9 Å²	53.9	37%	0.374	32%	0.319	S	S	.	.	H	α-helix	trans	-64.4	-52.2	176	176.7	-169.3	71.6	0	0	111.2	E71 F72 Y73 Y77 A78 L86 L229	E71-M75 VanDerWaalsContact O-CB 3.28Å; E71-M75 WeakPolarHBondContact O-CB 3.47Å; E71-M75 PolarHBondContact O-N 3.02Å; F72-M75 HydrophobicContact CD2-CE 4.07Å; F72-M75 HydrophobicContact CE2-CE 4.49Å; F72-M75 PolarHBondContact O-N 2.93Å; Y73-M75 VanDerWaalsContact C-N 3.34Å; Y73-M75 PolarHBondContact O-N 3.11Å; M75-Y77 VanDerWaalsContact C-N 3.33Å; M75-Y77 PolarHBondContact O-N 3.15Å; M75-A78 PolarHBondContact O-N 3.45Å; M75-L86 HydrophobicContact CE-CD2 4.19Å; M75-L86 HydrophobicContact CG-CD1 4.06Å; M75-L229 HydrophobicContact CE-CD1 4.18Å; M75-L229 HydrophobicContact CE-CD2 4.06Å
76	V	98.4	Very high	97.7	Very high	0 Å²	0	50.7 Å²	50.7	0%	0	31%	0.308	C	S	.	.	H	α-helix	trans	-63.9	-39.3	-176.9	175.1	0	0	0	0	111.4	F72 Y73 L86 L89 R90 L93	F72-V76 HydrophobicContact CD1-CG2 4.48Å; F72-V76 HydrophobicContact CD2-CG2 4.16Å; F72-V76 HydrophobicContact CE1-CG2 4.11Å; F72-V76 HydrophobicContact CE2-CG2 3.77Å; F72-V76 HydrophobicContact CZ-CG2 3.76Å; F72-V76 WeakPolarHBondContact O-CG2 3.4Å; F72-V76 PolarHBondContact O-N 3.29Å; Y73-V76 PolarHBondContact O-N 3.1Å; V76-L86 HydrophobicContact CG2-CD2 4.29Å; V76-L89 HydrophobicContact CG1-CD2 4.43Å; V76-L89 HydrophobicContact CG2-CD2 3.97Å; V76-R90 HydrophobicContact CG1-CG 3.8Å; V76-R90 PolarHBondContact O-NE 3.39Å; V76-R90 PolarHBondContact O-NH2 3.36Å; V76-L93 HydrophobicContact CG1-CD2 4.04Å
77	Y	98.4	Very high	97.8	Very high	50 Å²	50	53.9 Å²	53.9	20%	0.196	33%	0.325	C	S	.	.	T	Hydrogen-bonded Turn	trans	-100.8	16.5	-176.8	-75.8	-92	0	0	0	114.2	Y73 M75 A79 R90 L93 P94 K95 Y96	Y73-Y77 HydrophobicContact CD1-CD2 4.16Å; Y73-Y77 HydrophobicContact CD1-CE2 4.12Å; Y73-Y77 HydrophobicContact CE1-CE2 4.49Å; Y73-Y77 WeakPolarHBondContact O-CB 3.46Å; Y73-Y77 PolarHBondContact O-N 2.84Å; M75-Y77 VanDerWaalsContact C-N 3.33Å; M75-Y77 PolarHBondContact O-N 3.15Å; Y77-A79 PolarHBondContact O-N 3.27Å; Y77-R90 HydrophobicContact CD1-CG 4.27Å; Y77-R90 HydrophobicContact CE1-CB 4.27Å; Y77-R90 HydrophobicContact CE1-CG 3.95Å; Y77-R90 HydrophobicContact CE2-CG 4.35Å; Y77-R90 PolarHBondContact OH-O 3.25Å; Y77-L93 HydrophobicContact CE2-CB 4.45Å; Y77-L93 HydrophobicContact CE2-CD2 4.23Å; Y77-P94 PolarHBondContact OH-O 2.81Å; Y77-P94 VanDerWaalsContact OH-O 3.14Å; Y77-K95 WeakPolarHBondContact OH-CA 3.32Å; Y77-Y96 HydrophobicContact CD2-CD1 4.36Å; Y77-Y96 HydrophobicContact CD2-CG 4.34Å; Y77-Y96 HydrophobicContact CG-CD1 4.19Å; Y77-Y96 HydrophobicContact CG-CG 4.46Å
78	A	98	Very high	97.9	Very high	26 Å²	26	55.4 Å²	55.4	22%	0.215	33%	0.328	C	S	.	.			trans	-55.2	133.9	174.1	0	0	0	0	0	110.5	T74 M75 D80 C81 R90	T74-A78 WeakPolarHBondContact O-CA 3.4Å; T74-A78 WeakPolarHBondContact O-CB 3.46Å; T74-A78 PolarHBondContact O-N 3.35Å; M75-A78 PolarHBondContact O-N 3.45Å; A78-D80 PolarHBondContact O-N 3.21Å; A78-C81 HydrophobicContact CB-CB 4.17Å; A78-C81 WeakPolarHBondContact O-CB 3.29Å; A78-C81 PolarHBondContact O-N 2.86Å; A78-C81 VanDerWaalsContact O-N 3.12Å; A78-R90 PolarHBondContact O-NH2 3.09Å
79	A	97	Very high	98	Very high	113 Å²	113	53.1 Å²	53.1	93%	0.934	32%	0.319	S	S	*	.	T	Hydrogen-bonded Turn	trans	-65.8	-28.9	-174.3	0	0	0	0	0	112.5	Y77	Y77-A79 PolarHBondContact O-N 3.27Å
80	D	97.1	Very high	98	Very high	144 Å²	144	56.2 Å²	56.2	77%	0.77	33%	0.331	S	S	*	.	T	Hydrogen-bonded Turn	trans	-95.2	9.6	177.3	59.6	-19.1	0	0	0	113.2	A78 A82	A78-D80 PolarHBondContact O-N 3.21Å; D80-A82 PolarHBondContact O-N 3.46Å; D80-A82 VanDerWaalsContact O-N 3.15Å
81	C	97	Very high	98	Very high	24 Å²	24	60.5 Å²	60.5	16%	0.162	35%	0.348	C	S	.	.			trans	-64	115.2	178.8	180	0	0	0	0	111.5	A78 R90	A78-C81 HydrophobicContact CB-CB 4.17Å; A78-C81 WeakPolarHBondContact O-CB 3.29Å; A78-C81 PolarHBondContact O-N 2.86Å; A78-C81 VanDerWaalsContact O-N 3.12Å; C81-R90 VanDerWaalsContact CB-NH2 3.3Å
82	A	96.9	Very high	98	Very high	93 Å²	93	55.1 Å²	55.1	77%	0.769	32%	0.323	S	S	*	.			trans	-105.3	-1	173.1	0	0	0	0	0	113.6	D80 A84	D80-A82 PolarHBondContact O-N 3.46Å; D80-A82 VanDerWaalsContact O-N 3.15Å; A82-A84 PolarHBondContact O-N 2.65Å
83	D	97.7	Very high	98	Very high	62 Å²	62	54.7 Å²	54.7	33%	0.332	32%	0.321	S	S	.	.			trans	-71.9	111.2	178.1	-177.4	-10.2	0	0	0	110.7	V85 L86 L87 Q228	D83-V85 PolarHBondContact O-N 2.84Å; D83-V85 WeakPolarHBondContact OD1-CB 3.37Å; D83-V85 PolarHBondContact OD1-N 3.07Å; D83-L86 HydrophobicContact CB-CB 4.24Å; D83-L86 HydrophobicContact CB-CD1 4.14Å; D83-L86 HydrophobicContact CB-CG 4.07Å; D83-L86 PolarHBondContact O-N 3.31Å; D83-L86 VanDerWaalsContact O-N 3.15Å; D83-L87 VanDerWaalsContact O-CG 3.31Å; D83-L87 WeakPolarHBondContact O-CG 3.44Å; D83-L87 PolarHBondContact O-N 2.77Å; D83-Q228 PolarHBondContact OD2-NE2 3.19Å
84	A	97.9	Very high	98	Very high	73 Å²	73	54.9 Å²	54.9	60%	0.603	32%	0.322	S	S	*	.	H	α-helix	trans	-55.6	-34.4	179.2	0	0	0	0	0	113.3	A82 E88	A82-A84 PolarHBondContact O-N 2.65Å; A84-E88 WeakPolarHBondContact O-CB 3.34Å; A84-E88 PolarHBondContact O-N 3.36Å
85	V	98.1	Very high	98	Very high	41 Å²	41	57 Å²	57	25%	0.248	33%	0.326	C	S	.	.	H	α-helix	trans	-69	-42.7	179.7	174.6	0	0	0	0	110.6	D83 L89 W222 Q226 Q228	D83-V85 PolarHBondContact O-N 2.84Å; D83-V85 WeakPolarHBondContact OD1-CB 3.37Å; D83-V85 PolarHBondContact OD1-N 3.07Å; V85-L89 WeakPolarHBondContact O-CB 3.47Å; V85-L89 PolarHBondContact O-N 3.1Å; V85-W222 HydrophobicContact CG1-CZ2 3.73Å; V85-W222 PolarHBondContact O-NE1 3.27Å; V85-Q226 HydrophobicContact CG1-CB 3.52Å; V85-Q226 HydrophobicContact CG1-CG 4.41Å; V85-Q228 HydrophobicContact CG1-CG 4.11Å
86	L	98.4	Very high	98	Very high	11 Å²	11	55.2 Å²	55.2	6%	0.058	32%	0.315	C	S	.	.	H	α-helix	trans	-71.2	-36.5	176.6	-60.9	-176.6	0	0	0	112	M75 V76 D83 L89 R90 L229	M75-L86 HydrophobicContact CE-CD2 4.19Å; M75-L86 HydrophobicContact CG-CD1 4.06Å; V76-L86 HydrophobicContact CG2-CD2 4.29Å; D83-L86 HydrophobicContact CB-CB 4.24Å; D83-L86 HydrophobicContact CB-CD1 4.14Å; D83-L86 HydrophobicContact CB-CG 4.07Å; D83-L86 PolarHBondContact O-N 3.31Å; D83-L86 VanDerWaalsContact O-N 3.15Å; L86-L89 WeakPolarHBondContact O-CB 3.49Å; L86-L89 PolarHBondContact O-N 2.87Å; L86-R90 PolarHBondContact O-N 3.45Å; L86-L229 HydrophobicContact CD2-CD1 3.88Å
87	L	98.3	Very high	98	Very high	67 Å²	67	61 Å²	61	35%	0.351	34%	0.338	S	S	.	.	H	α-helix	trans	-62.9	-41.5	175.1	-69.8	175.2	0	0	0	111.8	D83 R90	D83-L87 VanDerWaalsContact O-CG 3.31Å; D83-L87 WeakPolarHBondContact O-CG 3.44Å; D83-L87 PolarHBondContact O-N 2.77Å; L87-R90 VanDerWaalsContact CD2-CZ 3.49Å; L87-R90 VanDerWaalsContact CD2-NH1 3.35Å; L87-R90 WeakPolarHBondContact O-CB 3.36Å; L87-R90 PolarHBondContact O-N 3.4Å
88	E	98.3	Very high	97.9	Very high	80 Å²	80	59.6 Å²	59.6	37%	0.374	34%	0.338	S	S	.	.	H	α-helix	trans	-65.5	-41.2	174.5	-168.1	63.2	-157	0	0	111.3	A84 R90 K91	A84-E88 WeakPolarHBondContact O-CB 3.34Å; A84-E88 PolarHBondContact O-N 3.36Å; E88-R90 PolarHBondContact O-N 3.4Å; E88-K91 WeakPolarHBondContact O-CB 3.36Å; E88-K91 PolarHBondContact O-N 3.49Å; E88-K91 VanDerWaalsContact O-N 3.1Å; E88-K91 WeakPolarHBondContact OE1-CD 3.31Å; E88-K91 IonicContact OE1-NZ 2.68Å; E88-K91 PolarHBondContact OE1-NZ 2.92Å; E88-K91 VanDerWaalsContact OE2-CE 3.32Å; E88-K91 WeakPolarHBondContact OE2-CE 3.34Å; E88-K91 IonicContact OE2-NZ 3.59Å; E88-K91 PolarHBondContact OE2-NZ 3.38Å
89	L	98.5	Very high	97.9	Very high	0 Å²	0	60.8 Å²	60.8	0%	0	34%	0.342	C	S	.	.	H	α-helix	trans	-55.3	-37.2	179.1	-176.5	57	0	0	0	112.2	F72 V76 V85 L86 K91 H92 L93 W222 L229 F231 M363	F72-L89 HydrophobicContact CE2-CD2 4.24Å; F72-L89 HydrophobicContact CZ-CD2 3.95Å; V76-L89 HydrophobicContact CG1-CD2 4.43Å; V76-L89 HydrophobicContact CG2-CD2 3.97Å; V85-L89 WeakPolarHBondContact O-CB 3.47Å; V85-L89 PolarHBondContact O-N 3.1Å; L86-L89 WeakPolarHBondContact O-CB 3.49Å; L86-L89 PolarHBondContact O-N 2.87Å; L89-K91 PolarHBondContact O-N 3.07Å; L89-H92 PolarHBondContact O-N 2.93Å; L89-L93 HydrophobicContact CD1-CD1 3.51Å; L89-L93 HydrophobicContact CG-CD1 3.7Å; L89-L93 HydrophobicContact CG-CD2 4.24Å; L89-L93 WeakPolarHBondContact O-CD1 3.37Å; L89-W222 HydrophobicContact CB-CZ2 3.72Å; L89-W222 HydrophobicContact CD1-CD2 3.97Å; L89-W222 HydrophobicContact CD1-CE3 4.07Å; L89-W222 HydrophobicContact CD1-CH2 3.81Å; L89-W222 HydrophobicContact CD1-CZ2 3.69Å; L89-W222 HydrophobicContact CD1-CZ3 4Å; L89-W222 HydrophobicContact CD2-CH2 3.85Å; L89-W222 HydrophobicContact CD2-CZ2 3.64Å; L89-W222 HydrophobicContact CG-CH2 4.29Å; L89-W222 HydrophobicContact CG-CZ2 3.86Å; L89-L229 HydrophobicContact CD2-CD1 4.33Å; L89-F231 HydrophobicContact CD2-CZ 4.26Å; L89-M363 HydrophobicContact CD1-CE 4.23Å; L89-M363 HydrophobicContact CD1-SD 3.92Å
90	R	98.5	Very high	97.8	Very high	66 Å²	66	57.8 Å²	57.8	25%	0.249	31%	0.307	C	S	.	.	G	3₁₀ helix	trans	-51.7	-30.6	179	-67.6	173.8	-176.1	-175.7	-2.4	113.4	V76 Y77 A78 C81 L86 L87 E88 H92 L93	V76-R90 HydrophobicContact CG1-CG 3.8Å; V76-R90 PolarHBondContact O-NE 3.39Å; V76-R90 PolarHBondContact O-NH2 3.36Å; Y77-R90 HydrophobicContact CD1-CG 4.27Å; Y77-R90 HydrophobicContact CE1-CB 4.27Å; Y77-R90 HydrophobicContact CE1-CG 3.95Å; Y77-R90 HydrophobicContact CE2-CG 4.35Å; Y77-R90 PolarHBondContact OH-O 3.25Å; A78-R90 PolarHBondContact O-NH2 3.09Å; C81-R90 VanDerWaalsContact CB-NH2 3.3Å; L86-R90 PolarHBondContact O-N 3.45Å; L87-R90 VanDerWaalsContact CD2-CZ 3.49Å; L87-R90 VanDerWaalsContact CD2-NH1 3.35Å; L87-R90 WeakPolarHBondContact O-CB 3.36Å; L87-R90 PolarHBondContact O-N 3.4Å; E88-R90 PolarHBondContact O-N 3.4Å; R90-H92 PolarHBondContact O-N 2.93Å; R90-L93 PolarHBondContact O-N 3.04Å
91	K	98	Very high	97.5	Very high	128 Å²	128	52.9 Å²	52.9	56%	0.557	28%	0.284	S	S	*	.	G	3₁₀ helix	trans	-67	-20.8	179.1	-60.1	176.5	-172.4	168.7	0	113.1	E88 L89	E88-K91 WeakPolarHBondContact O-CB 3.36Å; E88-K91 PolarHBondContact O-N 3.49Å; E88-K91 VanDerWaalsContact O-N 3.1Å; E88-K91 WeakPolarHBondContact OE1-CD 3.31Å; E88-K91 IonicContact OE1-NZ 2.68Å; E88-K91 PolarHBondContact OE1-NZ 2.92Å; E88-K91 VanDerWaalsContact OE2-CE 3.32Å; E88-K91 WeakPolarHBondContact OE2-CE 3.34Å; E88-K91 IonicContact OE2-NZ 3.59Å; E88-K91 PolarHBondContact OE2-NZ 3.38Å; L89-K91 PolarHBondContact O-N 3.07Å
92	H	98.5	Very high	97.1	Very high	20 Å²	20	51.9 Å²	51.9	9%	0.093	28%	0.277	C	S	.	.	G	3₁₀ helix	trans	-103.9	-5.2	-175.6	-56.3	-50.8	0	0	0	113.3	L89 R90 I219 R362 M363	L89-H92 PolarHBondContact O-N 2.93Å; R90-H92 PolarHBondContact O-N 2.93Å; H92-I219 HydrophobicContact CB-CG1 4.05Å; H92-R362 CarbonylContact O-C 3.38Å; H92-R362 VanDerWaalsContact O-CA 3.27Å; H92-R362 WeakPolarHBondContact O-CA 3.33Å; H92-M363 HydrophobicContact CB-SD 4.13Å; H92-M363 PolarHBondContact O-N 3.35Å
93	L	98.6	Very high	96.7	Very high	0 Å²	0	53.8 Å²	53.8	0%	0	28%	0.281	C	S	.	.	S	Bend	trans	-106	153.8	-177.9	-86.9	54.1	0	0	0	110.3	F72 Y73 V76 Y77 L89 R90 K95 R362 M363 F366	F72-L93 HydrophobicContact CE1-CD2 3.65Å; F72-L93 HydrophobicContact CZ-CD2 3.91Å; Y73-L93 HydrophobicContact CE1-CD2 4.38Å; V76-L93 HydrophobicContact CG1-CD2 4.04Å; Y77-L93 HydrophobicContact CE2-CB 4.45Å; Y77-L93 HydrophobicContact CE2-CD2 4.23Å; L89-L93 HydrophobicContact CD1-CD1 3.51Å; L89-L93 HydrophobicContact CG-CD1 3.7Å; L89-L93 HydrophobicContact CG-CD2 4.24Å; L89-L93 WeakPolarHBondContact O-CD1 3.37Å; R90-L93 PolarHBondContact O-N 3.04Å; L93-K95 PolarHBondContact O-N 3.48Å; L93-R362 PolarHBondContact O-NH1 3.23Å; L93-M363 HydrophobicContact CD1-CB 4.05Å; L93-M363 HydrophobicContact CD1-SD 4.29Å; L93-F366 HydrophobicContact CD1-CZ 3.86Å; L93-F366 HydrophobicContact CD2-CE2 4.08Å; L93-F366 HydrophobicContact CD2-CZ 4.16Å; L93-F366 HydrophobicContact CG-CE2 3.78Å; L93-F366 HydrophobicContact CG-CZ 3.61Å
94	P	98.2	Very high	96.1	Very high	6 Å²	6	55.8 Å²	55.8	4%	0.039	30%	0.3	C	S	.	.	P	Polyproline II helix	trans	-53.6	138.5	159.9	-22.1	33	0	0	0	110	Y77 Y96 L113 E114 V116 R362 M363 I364	Y77-P94 PolarHBondContact OH-O 2.81Å; Y77-P94 VanDerWaalsContact OH-O 3.14Å; P94-Y96 PolarHBondContact O-N 2.75Å; P94-L113 HydrophobicContact CB-CB 4.36Å; P94-E114 HydrophobicContact CB-CB 4.12Å; P94-V116 HydrophobicContact CB-CG2 4.2Å; P94-V116 HydrophobicContact CG-CG2 3.97Å; P94-R362 HydrophobicContact CG-CB 4.48Å; P94-M363 WeakPolarHBondContact CD-O 3.36Å; P94-I364 HydrophobicContact CG-CG2 3.87Å
95	K	98	Very high	95.6	Very high	118 Å²	118	53.4 Å²	53.4	51%	0.513	28%	0.281	S	S	.	.	P	Polyproline II helix	trans	-57	137.2	173.6	-66.6	174.5	-179.3	176.4	0	109.9	Y77 L93 Y97 L113 E114	Y77-K95 WeakPolarHBondContact OH-CA 3.32Å; L93-K95 PolarHBondContact O-N 3.48Å; K95-Y97 HydrophobicContact CB-CE2 4.05Å; K95-L113 CarbonylContact O-C 3.5Å; K95-L113 WeakPolarHBondContact O-CA 3.32Å; K95-E114 HydrophobicContact CB-CB 4.01Å; K95-E114 WeakPolarHBondContact CG-OE2 3.45Å; K95-E114 PolarHBondContact N-OE2 3.04Å; K95-E114 PolarHBondContact O-N 3.47Å
96	Y	98.4	Very high	95.1	Very high	38 Å²	38	55.6 Å²	55.6	15%	0.149	30%	0.296	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-99.1	126.2	177.7	177.2	-122.1	0	0	0	110.4	L70 Y73 Y77 P94 G98 L111 L113	L70-Y96 WeakPolarHBondContact CD1-OH 3.31Å; Y73-Y96 HydrophobicContact CD1-CD2 4.12Å; Y73-Y96 HydrophobicContact CD1-CG 4.04Å; Y73-Y96 HydrophobicContact CG-CD2 4.06Å; Y73-Y96 HydrophobicContact CG-CE2 4.46Å; Y73-Y96 HydrophobicContact CG-CG 4.26Å; Y77-Y96 HydrophobicContact CD2-CD1 4.36Å; Y77-Y96 HydrophobicContact CD2-CG 4.34Å; Y77-Y96 HydrophobicContact CG-CD1 4.19Å; Y77-Y96 HydrophobicContact CG-CG 4.46Å; P94-Y96 PolarHBondContact O-N 2.75Å; Y96-G98 VanDerWaalsContact CE2-C 3.47Å; Y96-G98 VanDerWaalsContact CE2-O 3.25Å; Y96-G98 WeakPolarHBondContact CE2-O 3.19Å; Y96-G98 WeakPolarHBondContact OH-CA 3.36Å; Y96-L111 HydrophobicContact CE2-CD2 3.85Å; Y96-L113 HydrophobicContact CD2-CD2 3.81Å
97	Y	97.8	Very high	94.7	Very high	122 Å²	122	62.1 Å²	62.1	48%	0.478	33%	0.331	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-107.4	10.6	-179.5	-61.4	-82.3	0	0	0	112.8	T55 K95 K112 E114	T55-Y97 HydrophobicContact CG2-CD2 3.95Å; T55-Y97 HydrophobicContact CG2-CE2 3.79Å; K95-Y97 HydrophobicContact CB-CE2 4.05Å; Y97-K112 PolarHBondContact N-O 2.72Å; Y97-E114 HydrophobicContact CE2-CB 4.22Å
98	G	97.4	Very high	94.2	Very high	19 Å²	19	62 Å²	62	20%	0.196	33%	0.33	C	S	.	.	E	Extended strand (participates in β ladder)	trans	98	-170.5	-179.2	0	0	0	0	0	114.1	Y96 K112	Y96-G98 VanDerWaalsContact CE2-C 3.47Å; Y96-G98 VanDerWaalsContact CE2-O 3.25Å; Y96-G98 WeakPolarHBondContact CE2-O 3.19Å; Y96-G98 WeakPolarHBondContact OH-CA 3.36Å; G98-K112 PolarHBondContact O-N 3.02Å
99	V	96.5	Very high	93.9	Very high	52 Å²	52	60.2 Å²	60.2	32%	0.315	33%	0.325	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-84.7	137.7	173.5	176.7	0	0	0	0	109.6	L70 V109 Y110	L70-V99 HydrophobicContact CD1-CG2 3.33Å; L70-V99 HydrophobicContact CD2-CG2 4.16Å; L70-V99 HydrophobicContact CG-CG2 4.41Å; V99-V109 HydrophobicContact CG1-CG1 3.33Å; V99-Y110 WeakPolarHBondContact CA-O 3.34Å
100	W	95.1	Very high	93.8	Very high	50 Å²	50	60.5 Å²	60.5	19%	0.189	33%	0.326	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-124.2	139.7	173.1	-177	94.9	0	0	0	110.4	L26 L57 P102 Y110 K112	L26-W100 HydrophobicContact CB-CH2 4.03Å; L26-W100 HydrophobicContact CD1-CH2 4.48Å; L26-W100 HydrophobicContact CD1-CZ3 4.36Å; L57-W100 HydrophobicContact CD1-CD2 3.93Å; L57-W100 HydrophobicContact CD1-CE3 3.59Å; L57-W100 HydrophobicContact CD1-CH2 3.87Å; L57-W100 HydrophobicContact CD1-CZ2 4.22Å; L57-W100 HydrophobicContact CD1-CZ3 3.56Å; L57-W100 HydrophobicContact CD2-CB 3.88Å; L57-W100 HydrophobicContact CD2-CD2 3.91Å; L57-W100 HydrophobicContact CD2-CE3 4.02Å; L57-W100 HydrophobicContact CD2-CG 3.86Å; L57-W100 HydrophobicContact CG-CE3 4.38Å; W100-P102 HydrophobicContact CH2-CB 3.66Å; W100-P102 HydrophobicContact CH2-CG 4.26Å; W100-P102 HydrophobicContact CZ2-CB 4.32Å; W100-P102 HydrophobicContact CZ3-CB 4.05Å; W100-P102 VanDerWaalsContact CZ3-CD 3.47Å; W100-P102 HydrophobicContact CZ3-CG 4.15Å; W100-Y110 AromaticContact CE3-CD2 3.55Å; W100-Y110 HydrophobicContact CE3-CD2 3.55Å; W100-Y110 HydrophobicContact CE3-CE2 4.2Å; W100-Y110 HydrophobicContact CE3-CG 4.03Å; W100-Y110 AromaticContact CZ3-CD2 3.71Å; W100-Y110 HydrophobicContact CZ3-CD2 3.71Å; W100-Y110 AromaticContact CZ3-CE2 3.87Å; W100-Y110 HydrophobicContact CZ3-CE2 3.87Å; W100-Y110 HydrophobicContact CZ3-CG 4.37Å; W100-Y110 PolarHBondContact N-O 3.48Å; W100-Y110 WeakPolarHBondContact O-CB 3.34Å; W100-Y110 PolarHBondContact O-N 3.17Å; W100-K112 HydrophobicContact CB-CB 4.17Å
101	S	91.9	Very high	93.7	Very high	40 Å²	40	57.4 Å²	57.4	28%	0.28	31%	0.314	S	S	.	.			trans	-138.6	140.5	169.8	-70.4	0	0	0	0	109	D108	S101-D108 WeakPolarHBondContact CA-O 3.5Å; S101-D108 WeakPolarHBondContact CB-O 2.93Å; S101-D108 PolarHBondContact OG-O 3.4Å
102	P	88.2	Confident	93.7	Very high	3 Å²	3	52.5 Å²	52.5	2%	0.019	29%	0.293	C	S	.	.			trans	-66.4	140.5	176.5	28.7	-32.8	0	0	0	109.5	L26 W100 S104 A105 D108	L26-P102 HydrophobicContact CB-CB 4.29Å; L26-P102 HydrophobicContact CD1-CG 4.18Å; L26-P102 HydrophobicContact CD2-CB 3.91Å; L26-P102 HydrophobicContact CD2-CG 3.9Å; L26-P102 HydrophobicContact CG-CB 4.47Å; W100-P102 HydrophobicContact CH2-CB 3.66Å; W100-P102 HydrophobicContact CH2-CG 4.26Å; W100-P102 HydrophobicContact CZ2-CB 4.32Å; W100-P102 HydrophobicContact CZ3-CB 4.05Å; W100-P102 VanDerWaalsContact CZ3-CD 3.47Å; W100-P102 HydrophobicContact CZ3-CG 4.15Å; P102-S104 PolarHBondContact O-N 3.14Å; P102-S104 VanDerWaalsContact O-N 3.1Å; P102-A105 WeakPolarHBondContact CD-O 3.35Å; P102-A105 HydrophobicContact CG-CB 3.85Å; P102-A105 WeakPolarHBondContact CG-O 3.49Å; P102-A105 CarbonylContact O-C 3.46Å; P102-A105 VanDerWaalsContact O-C 3.25Å; P102-A105 PolarHBondContact O-N 3.44Å; P102-D108 VanDerWaalsContact CD-O 3.27Å; P102-D108 WeakPolarHBondContact CD-O 3.37Å; P102-D108 HydrophobicContact CG-CB 4.3Å
103	P	87.5	Confident	93.7	Very high	133 Å²	133	52 Å²	52	86%	0.864	29%	0.291	S	S	*	.	T	Hydrogen-bonded Turn	trans	-55.4	-30.8	177.6	-27.5	35	0	0	0	113.8
104	S	87	Confident	93.6	Very high	104 Å²	104	53.9 Å²	53.9	73%	0.727	30%	0.3	S	S	*	.	T	Hydrogen-bonded Turn	trans	-79.7	-19	179.4	54.4	0	0	0	0	114.5	P102	P102-S104 PolarHBondContact O-N 3.14Å; P102-S104 VanDerWaalsContact O-N 3.1Å
105	A	86.8	Confident	93.6	Very high	24 Å²	24	54 Å²	54	20%	0.198	30%	0.3	C	S	.	.			trans	-142.7	74	-179.6	0	0	0	0	0	110	P102 N107 D108	P102-A105 WeakPolarHBondContact CD-O 3.35Å; P102-A105 HydrophobicContact CG-CB 3.85Å; P102-A105 WeakPolarHBondContact CG-O 3.49Å; P102-A105 CarbonylContact O-C 3.46Å; P102-A105 VanDerWaalsContact O-C 3.25Å; P102-A105 PolarHBondContact O-N 3.44Å; A105-N107 PolarHBondContact O-N 3.44Å; A105-D108 HydrophobicContact CB-CB 4.23Å; A105-D108 WeakPolarHBondContact CB-OD2 3.42Å; A105-D108 PolarHBondContact O-N 2.79Å
106	P	88.4	Confident	93.5	Very high	87 Å²	87	48.8 Å²	48.8	57%	0.565	28%	0.278	S	S	*	.	T	Hydrogen-bonded Turn	trans	-63	-14.2	-176.8	25.8	-35.7	0	0	0	114
107	N	88.4	Confident	93.3	Very high	147 Å²	147	47.2 Å²	47.2	79%	0.786	27%	0.273	S	S	*	.	T	Hydrogen-bonded Turn	trans	-82.9	-15.7	175	-62.6	-30.1	0	0	0	112.9	A105 V109	A105-N107 PolarHBondContact O-N 3.44Å; N107-V109 PolarHBondContact O-N 3.1Å
108	D	88.8	Confident	93.1	Very high	64 Å²	64	45.4 Å²	45.4	34%	0.342	27%	0.268	S	S	.	.			trans	-86.1	98.3	175.6	-66	-19.7	0	0	0	108.1	S101 P102 A105 Y110	S101-D108 WeakPolarHBondContact CA-O 3.5Å; S101-D108 WeakPolarHBondContact CB-O 2.93Å; S101-D108 PolarHBondContact OG-O 3.4Å; P102-D108 VanDerWaalsContact CD-O 3.27Å; P102-D108 WeakPolarHBondContact CD-O 3.37Å; P102-D108 HydrophobicContact CG-CB 4.3Å; A105-D108 HydrophobicContact CB-CB 4.23Å; A105-D108 WeakPolarHBondContact CB-OD2 3.42Å; A105-D108 PolarHBondContact O-N 2.79Å; D108-Y110 HydrophobicContact CB-CE2 3.79Å; D108-Y110 WeakPolarHBondContact O-CD2 3.14Å; D108-Y110 WeakPolarHBondContact O-CE2 3.44Å
109	V	92.4	Very high	92.8	Very high	43 Å²	43	49.5 Å²	49.5	26%	0.261	28%	0.281	S	S	.	.			trans	-100.2	131.8	-173.1	-170.2	0	0	0	0	110.3	L60 V99 N107	L60-V109 HydrophobicContact CD1-CB 4.4Å; L60-V109 HydrophobicContact CD1-CG1 3.99Å; L60-V109 WeakPolarHBondContact CD1-O 3.27Å; L60-V109 HydrophobicContact CD2-CB 4.25Å; L60-V109 HydrophobicContact CD2-CG1 3.96Å; L60-V109 PolarHBondContact N-O 2.74Å; V99-V109 HydrophobicContact CG1-CG1 3.33Å; N107-V109 PolarHBondContact O-N 3.1Å
110	Y	94.9	Very high	92.7	Very high	6 Å²	6	47.2 Å²	47.2	2%	0.024	27%	0.266	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-126.7	148.2	-179.8	-58.9	-102.9	0	0	0	110.9	L26 L49 L57 K58 Q59 V99 W100 D108	L26-Y110 HydrophobicContact CD1-CE2 4.19Å; L26-Y110 WeakPolarHBondContact CD1-OH 3.3Å; L49-Y110 HydrophobicContact CD1-CE1 3.97Å; L57-Y110 HydrophobicContact CB-CD1 3.74Å; L57-Y110 HydrophobicContact CB-CG 4.07Å; K58-Y110 CarbonylContact O-C 3.46Å; K58-Y110 WeakPolarHBondContact O-CA 3.33Å; Q59-Y110 VanDerWaalsContact CA-CD1 3.45Å; Q59-Y110 HydrophobicContact CB-CD1 3.69Å; Q59-Y110 HydrophobicContact CB-CE1 3.53Å; Q59-Y110 HydrophobicContact CG-CD1 4.27Å; Q59-Y110 HydrophobicContact CG-CE1 3.89Å; V99-Y110 WeakPolarHBondContact CA-O 3.34Å; W100-Y110 AromaticContact CE3-CD2 3.55Å; W100-Y110 HydrophobicContact CE3-CD2 3.55Å; W100-Y110 HydrophobicContact CE3-CE2 4.2Å; W100-Y110 HydrophobicContact CE3-CG 4.03Å; W100-Y110 AromaticContact CZ3-CD2 3.71Å; W100-Y110 HydrophobicContact CZ3-CD2 3.71Å; W100-Y110 AromaticContact CZ3-CE2 3.87Å; W100-Y110 HydrophobicContact CZ3-CE2 3.87Å; W100-Y110 HydrophobicContact CZ3-CG 4.37Å; W100-Y110 PolarHBondContact N-O 3.48Å; W100-Y110 WeakPolarHBondContact O-CB 3.34Å; W100-Y110 PolarHBondContact O-N 3.17Å; D108-Y110 HydrophobicContact CB-CE2 3.79Å; D108-Y110 WeakPolarHBondContact O-CD2 3.14Å; D108-Y110 WeakPolarHBondContact O-CE2 3.44Å
111	L	97.1	Very high	92.5	Very high	1 Å²	1	48.1 Å²	48.1	1%	0.005	28%	0.275	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-83.1	123.2	160.2	-60.8	169.1	0	0	0	107.9	L57 K58 L60 E69 L70 Y73 Y96 L113	L57-L111 WeakPolarHBondContact CA-O 3.42Å; K58-L111 HydrophobicContact CB-CB 4.41Å; K58-L111 PolarHBondContact N-O 2.57Å; K58-L111 PolarHBondContact O-N 3.37Å; L60-L111 HydrophobicContact CD1-CD2 4.23Å; L60-L111 HydrophobicContact CD1-CG 3.83Å; E69-L111 HydrophobicContact CB-CD1 4.34Å; E69-L111 HydrophobicContact CG-CD1 3.65Å; L70-L111 HydrophobicContact CB-CD2 4.11Å; L70-L111 HydrophobicContact CD1-CD2 3.64Å; L70-L111 HydrophobicContact CG-CD2 4.49Å; Y73-L111 HydrophobicContact CD2-CD1 3.9Å; Y73-L111 HydrophobicContact CD2-CD2 4.49Å; Y73-L111 HydrophobicContact CE2-CD1 4.04Å; Y96-L111 HydrophobicContact CE2-CD2 3.85Å; L111-L113 HydrophobicContact CB-CD1 4.27Å; L111-L113 HydrophobicContact CB-CD2 4.39Å; L111-L113 HydrophobicContact CB-CG 4.11Å
112	K	97.6	Very high	92.7	Very high	25 Å²	25	47.2 Å²	47.2	11%	0.109	27%	0.266	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-90.2	115.6	172.2	-169.8	176.4	176.6	71.9	0	108.9	H51 D53 T55 V56 L57 Y97 G98 W100	H51-K112 PolarHBondContact ND1-NZ 3.29Å; D53-K112 IonicContact OD1-NZ 3.54Å; D53-K112 PolarHBondContact OD1-NZ 3.32Å; D53-K112 WeakPolarHBondContact OD2-CE 2.89Å; D53-K112 IonicContact OD2-NZ 2.67Å; D53-K112 PolarHBondContact OD2-NZ 2.92Å; T55-K112 WeakPolarHBondContact OG1-CE 3.27Å; T55-K112 PolarHBondContact OG1-NZ 3.46Å; V56-K112 WeakPolarHBondContact O-CA 3.46Å; L57-K112 HydrophobicContact CD2-CB 3.92Å; L57-K112 HydrophobicContact CD2-CD 4.38Å; L57-K112 HydrophobicContact CD2-CG 3.85Å; Y97-K112 PolarHBondContact N-O 2.72Å; G98-K112 PolarHBondContact O-N 3.02Å; W100-K112 HydrophobicContact CB-CB 4.17Å
113	L	98.3	Very high	93.1	Very high	9 Å²	9	47.1 Å²	47.1	5%	0.047	27%	0.265	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-127.9	155.1	-170.7	-59	173.8	0	0	0	111.1	T55 V56 K58 Y73 P94 K95 Y96 L111 D115	T55-L113 CarbonylContact C-O 3.49Å; T55-L113 WeakPolarHBondContact CA-O 3.44Å; T55-L113 WeakPolarHBondContact CB-O 3.3Å; V56-L113 HydrophobicContact CG2-CB 3.9Å; V56-L113 PolarHBondContact N-O 3.47Å; V56-L113 PolarHBondContact O-N 2.85Å; K58-L113 HydrophobicContact CB-CD1 4.26Å; K58-L113 HydrophobicContact CD-CD1 4.47Å; Y73-L113 HydrophobicContact CD1-CD2 4.17Å; Y73-L113 HydrophobicContact CE1-CD2 3.68Å; Y73-L113 HydrophobicContact CE2-CD1 4.27Å; Y73-L113 HydrophobicContact CE2-CD2 4.06Å; P94-L113 HydrophobicContact CB-CB 4.36Å; K95-L113 CarbonylContact O-C 3.5Å; K95-L113 WeakPolarHBondContact O-CA 3.32Å; Y96-L113 HydrophobicContact CD2-CD2 3.81Å; L111-L113 HydrophobicContact CB-CD1 4.27Å; L111-L113 HydrophobicContact CB-CD2 4.39Å; L111-L113 HydrophobicContact CB-CG 4.11Å; L113-D115 PolarHBondContact O-N 3Å
114	E	97.8	Very high	93.5	Very high	40 Å²	40	40.8 Å²	40.8	19%	0.187	22%	0.224	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-54.7	130.6	167.9	179.1	-175.4	-178.6	0	0	111.1	P94 K95 Y97 V116 R362	P94-E114 HydrophobicContact CB-CB 4.12Å; K95-E114 HydrophobicContact CB-CB 4.01Å; K95-E114 WeakPolarHBondContact CG-OE2 3.45Å; K95-E114 PolarHBondContact N-OE2 3.04Å; K95-E114 PolarHBondContact O-N 3.47Å; Y97-E114 HydrophobicContact CE2-CB 4.22Å; E114-V116 PolarHBondContact O-N 2.89Å; E114-R362 IonicContact OE1-CZ 2.81Å; E114-R362 IonicContact OE1-NH1 3.81Å; E114-R362 IonicContact OE1-NH2 3.41Å; E114-R362 PolarHBondContact OE1-NH2 2.91Å; E114-R362 IonicContact OE2-CZ 2.57Å; E114-R362 IonicContact OE2-NH1 2.7Å; E114-R362 PolarHBondContact OE2-NH1 2.8Å; E114-R362 IonicContact OE2-NH2 3.12Å; E114-R362 PolarHBondContact OE2-NH2 3.43Å
115	D	96.6	Very high	94.1	Very high	9 Å²	9	36 Å²	36	5%	0.048	19%	0.191	C	C	.	.			trans	-77.6	100	163.3	-174.5	-12.7	0	0	0	108.6	Q50 G54 V56 L113 T117 H118	Q50-D115 PolarHBondContact NE2-OD2 3.13Å; G54-D115 VanDerWaalsContact O-CB 3.26Å; G54-D115 WeakPolarHBondContact O-CB 3.01Å; V56-D115 HydrophobicContact CG1-CB 3.81Å; L113-D115 PolarHBondContact O-N 3Å; D115-T117 PolarHBondContact O-N 3.46Å; D115-T117 WeakPolarHBondContact OD1-CA 3.38Å; D115-T117 WeakPolarHBondContact OD1-CB 3.38Å; D115-T117 PolarHBondContact OD1-N 2.81Å; D115-T117 PolarHBondContact OD1-OG1 3.12Å; D115-H118 HydrophobicContact CB-CB 3.95Å; D115-H118 VanDerWaalsContact O-CB 3.3Å; D115-H118 WeakPolarHBondContact O-CB 3.47Å; D115-H118 PolarHBondContact O-N 2.93Å; D115-H118 PolarHBondContact OD1-N 3.16Å
116	V	96.1	Very high	94.6	Very high	8 Å²	8	34.9 Å²	34.9	5%	0.048	18%	0.181	C	C	.	.	T	Hydrogen-bonded Turn	trans	-60	-20	-179.6	-176.3	0	0	0	0	111.9	P94 E114 L237 V239 E360 R362	P94-V116 HydrophobicContact CB-CG2 4.2Å; P94-V116 HydrophobicContact CG-CG2 3.97Å; E114-V116 PolarHBondContact O-N 2.89Å; V116-L237 HydrophobicContact CB-CD2 4.36Å; V116-V239 HydrophobicContact CG1-CG2 4.1Å; V116-E360 HydrophobicContact CG1-CB 3.8Å; V116-E360 HydrophobicContact CG1-CG 4.27Å; V116-R362 HydrophobicContact CG1-CG 3.74Å; V116-R362 HydrophobicContact CG2-CB 4.29Å; V116-R362 HydrophobicContact CG2-CG 3.85Å
117	T	95.4	Very high	95.1	Very high	6 Å²	6	31.4 Å²	31.4	4%	0.037	16%	0.158	C	C	.	.	T	Hydrogen-bonded Turn	trans	-90.4	-14.1	-179.2	74.7	0	0	0	0	113.6	H34 D115 K119 F120 I125 V239	H34-T117 PolarHBondContact NE2-OG1 2.96Å; D115-T117 PolarHBondContact O-N 3.46Å; D115-T117 WeakPolarHBondContact OD1-CA 3.38Å; D115-T117 WeakPolarHBondContact OD1-CB 3.38Å; D115-T117 PolarHBondContact OD1-N 2.81Å; D115-T117 PolarHBondContact OD1-OG1 3.12Å; T117-K119 PolarHBondContact O-N 3.2Å; T117-K119 VanDerWaalsContact O-N 3.09Å; T117-F120 WeakPolarHBondContact O-CB 3.4Å; T117-F120 PolarHBondContact O-N 3.17Å; T117-I125 HydrophobicContact CG2-CD1 3.98Å; T117-I125 HydrophobicContact CG2-CG1 4.19Å; T117-V239 HydrophobicContact CG2-CG1 4.2Å; T117-V239 HydrophobicContact CG2-CG2 4.14Å
118	H	92.4	Very high	95.6	Very high	83 Å²	83	24.4 Å²	24.4	38%	0.384	12%	0.121	S	C	.	.	T	Hydrogen-bonded Turn	trans	-57.8	-32.7	-167	179.5	-98.3	0	0	0	114.6	G54 D115 F120	G54-H118 VanDerWaalsContact CA-CD2 3.48Å; G54-H118 WeakPolarHBondContact CA-CD2 3.45Å; D115-H118 HydrophobicContact CB-CB 3.95Å; D115-H118 VanDerWaalsContact O-CB 3.3Å; D115-H118 WeakPolarHBondContact O-CB 3.47Å; D115-H118 PolarHBondContact O-N 2.93Å; D115-H118 PolarHBondContact OD1-N 3.16Å; H118-F120 VanDerWaalsContact C-N 3.29Å; H118-F120 PolarHBondContact O-N 2.96Å
119	K	91.5	Very high	96.1	Very high	106 Å²	106	22.8 Å²	22.8	46%	0.461	11%	0.11	S	C	.	.	T	Hydrogen-bonded Turn	trans	-78.1	-9.9	-179.6	65.7	172.2	179.9	169.4	0	114.6	T117 E360	T117-K119 PolarHBondContact O-N 3.2Å; T117-K119 VanDerWaalsContact O-N 3.09Å; K119-E360 VanDerWaalsContact CE-CG 3.47Å; K119-E360 IonicContact NZ-OE1 2.69Å; K119-E360 PolarHBondContact NZ-OE1 3.17Å
120	F	93.7	Very high	96.4	Very high	3 Å²	3	20.7 Å²	20.7	1%	0.013	10%	0.098	C	C	.	.			trans	-98.7	139.4	-176.7	-62.4	-82.4	0	0	0	110.4	T117 H118 P123 V239 E241 E358 E360	T117-F120 WeakPolarHBondContact O-CB 3.4Å; T117-F120 PolarHBondContact O-N 3.17Å; H118-F120 VanDerWaalsContact C-N 3.29Å; H118-F120 PolarHBondContact O-N 2.96Å; F120-P123 HydrophobicContact CB-CB 3.81Å; F120-P123 HydrophobicContact CB-CG 4.4Å; F120-P123 HydrophobicContact CG-CB 4.48Å; F120-V239 HydrophobicContact CD2-CB 4.47Å; F120-V239 HydrophobicContact CD2-CG1 3.53Å; F120-V239 HydrophobicContact CE2-CB 3.99Å; F120-V239 HydrophobicContact CE2-CG1 3.53Å; F120-V239 HydrophobicContact CG-CG1 4.13Å; F120-V239 HydrophobicContact CZ-CB 4.44Å; F120-V239 HydrophobicContact CZ-CG1 4.15Å; F120-E241 WeakPolarHBondContact CA-OE2 3.47Å; F120-E241 HydrophobicContact CD1-CB 3.87Å; F120-E241 HydrophobicContact CE1-CB 4.34Å; F120-E358 HydrophobicContact CE1-CB 3.97Å; F120-E358 WeakPolarHBondContact CE1-O 3.43Å; F120-E360 HydrophobicContact CE2-CB 4.39Å; F120-E360 HydrophobicContact CE2-CG 3.98Å; F120-E360 HydrophobicContact CZ-CB 4.42Å; F120-E360 HydrophobicContact CZ-CG 3.99Å
121	N	92.8	Very high	96.5	Very high	70 Å²	70	20.6 Å²	20.6	37%	0.374	10%	0.098	S	C	.	.	S	Bend	trans	-79.2	-52.7	176.7	-175.9	21.9	0	0	0	111.1	P123 E241	N121-P123 VanDerWaalsContact C-CD 3.41Å; N121-P123 VanDerWaalsContact O-CD 3.27Å; N121-P123 WeakPolarHBondContact O-CD 3.37Å; N121-E241 PolarHBondContact N-OE2 3.26Å
122	K	94.8	Very high	96.6	Very high	21 Å²	21	25 Å²	25	9%	0.091	12%	0.115	C	C	.	.	S	Bend	trans	-118.3	69.3	177.2	-58.8	-74.2	-174.6	156.1	0	110.1	C124 Y167 D172 Y174 E241 G242 E273	K122-C124 PolarHBondContact O-N 3.27Å; K122-Y167 HydrophobicContact CB-CD1 4.09Å; K122-Y167 HydrophobicContact CB-CD2 4Å; K122-Y167 HydrophobicContact CB-CE1 4.34Å; K122-Y167 HydrophobicContact CB-CE2 4.27Å; K122-Y167 HydrophobicContact CB-CG 3.88Å; K122-Y167 HydrophobicContact CD-CD2 4.04Å; K122-Y167 HydrophobicContact CD-CE2 3.68Å; K122-Y167 HydrophobicContact CG-CD2 4.22Å; K122-Y167 HydrophobicContact CG-CE1 4.3Å; K122-Y167 HydrophobicContact CG-CE2 3.99Å; K122-Y167 HydrophobicContact CG-CG 4.47Å; K122-D172 IonicContact NZ-OD1 3.92Å; K122-D172 PolarHBondContact NZ-OD1 3.41Å; K122-D172 IonicContact NZ-OD2 3.59Å; K122-Y174 WeakPolarHBondContact CA-OH 3.31Å; K122-Y174 WeakPolarHBondContact CB-OH 3.34Å; K122-Y174 HydrophobicContact CD-CE2 4.43Å; K122-E241 WeakPolarHBondContact CA-OE1 3.47Å; K122-E241 WeakPolarHBondContact CB-OE1 3.42Å; K122-E241 PolarHBondContact N-OE1 3.21Å; K122-E241 PolarHBondContact N-OE2 3.31Å; K122-G242 WeakPolarHBondContact O-CA 3.42Å; K122-G242 PolarHBondContact O-N 3.15Å; K122-E273 PolarHBondContact NZ-O 3.48Å
123	P	96	Very high	96.5	Very high	0 Å²	0	28.5 Å²	28.5	0%	0	13%	0.13	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-63	118.7	-173.6	23.8	-32.9	0	0	0	112.2	F120 N121 I125 Y174 V239	F120-P123 HydrophobicContact CB-CB 3.81Å; F120-P123 HydrophobicContact CB-CG 4.4Å; F120-P123 HydrophobicContact CG-CB 4.48Å; N121-P123 VanDerWaalsContact C-CD 3.41Å; N121-P123 VanDerWaalsContact O-CD 3.27Å; N121-P123 WeakPolarHBondContact O-CD 3.37Å; P123-I125 HydrophobicContact CB-CD1 4.29Å; P123-I125 HydrophobicContact CB-CG1 4.07Å; P123-I125 HydrophobicContact CG-CD1 4.49Å; P123-Y174 WeakPolarHBondContact O-CE1 3.46Å; P123-V239 HydrophobicContact CB-CG1 3.94Å
124	C	97.7	Very high	96.3	Very high	0 Å²	0	28.7 Å²	28.7	0%	0	13%	0.132	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-80.7	127.6	159.8	-66.8	0	0	0	0	108.7	K122 R165 Y167 F197 V239 Y240	K122-C124 PolarHBondContact O-N 3.27Å; C124-R165 CarbonylContact C-O 3.58Å; C124-R165 VanDerWaalsContact CA-O 3.23Å; C124-R165 WeakPolarHBondContact CA-O 3.36Å; C124-Y167 PolarHBondContact SG-N 3.46Å; C124-F197 HydrophobicContact CB-CE2 3.97Å; C124-F197 HydrophobicContact CB-CZ 4.34Å; C124-V239 CarbonylContact O-C 3.51Å; C124-V239 WeakPolarHBondContact O-CA 3.44Å; C124-Y240 HydrophobicContact CB-CD1 3.66Å; C124-Y240 HydrophobicContact CB-CD2 4.19Å; C124-Y240 HydrophobicContact CB-CE1 3.27Å; C124-Y240 HydrophobicContact CB-CE2 3.84Å; C124-Y240 HydrophobicContact CB-CG 4.1Å; C124-Y240 PolarHBondContact N-O 3.39Å; C124-Y240 PolarHBondContact O-N 2.79Å; C124-Y240 PolarHBondContact SG-OH 3.32Å; C124-Y240 VanDerWaalsContact SG-OH 3.4Å
125	I	98.3	Very high	96.2	Very high	4 Å²	4	29.1 Å²	29.1	2%	0.021	13%	0.132	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-128.4	135.6	-171.9	-52.8	159.7	0	0	0	110.4	H34 V36 T117 P123 M164 R165 F197 L237 F238 V239	H34-I125 HydrophobicContact CB-CD1 3.8Å; H34-I125 VanDerWaalsContact CD2-CD1 3.42Å; H34-I125 WeakPolarHBondContact CD2-CD1 3.38Å; H34-I125 WeakPolarHBondContact O-CD1 3.43Å; V36-I125 HydrophobicContact CG1-CB 3.98Å; V36-I125 HydrophobicContact CG1-CG2 4.01Å; V36-I125 HydrophobicContact CG2-CG2 3.83Å; T117-I125 HydrophobicContact CG2-CD1 3.98Å; T117-I125 HydrophobicContact CG2-CG1 4.19Å; P123-I125 HydrophobicContact CB-CD1 4.29Å; P123-I125 HydrophobicContact CB-CG1 4.07Å; P123-I125 HydrophobicContact CG-CD1 4.49Å; I125-M164 CarbonylContact O-C 3.46Å; I125-M164 WeakPolarHBondContact O-CA 3.36Å; I125-M164 WeakPolarHBondContact O-CB 3.49Å; I125-R165 PolarHBondContact N-O 3.32Å; I125-R165 PolarHBondContact O-N 3.06Å; I125-F197 WeakPolarHBondContact O-CE2 3.19Å; I125-L237 HydrophobicContact CG2-CD1 3.59Å; I125-L237 HydrophobicContact CG2-CG 4.35Å; I125-F238 CarbonylContact C-O 3.53Å; I125-F238 VanDerWaalsContact CA-O 3.31Å; I125-F238 WeakPolarHBondContact CA-O 3.32Å; I125-V239 HydrophobicContact CG1-CG1 4.37Å
126	M	98.5	Very high	96.1	Very high	1 Å²	1	29.6 Å²	29.6	1%	0.005	14%	0.135	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-138.3	131.2	170.4	175.9	177.9	64.6	0	0	110.5	V128 V161 G163 M164 F197 F238	M126-V128 HydrophobicContact CE-CG2 3.7Å; M126-V128 HydrophobicContact CG-CG2 3.73Å; M126-V128 HydrophobicContact SD-CG2 3.88Å; M126-V161 HydrophobicContact CG-CG1 4.13Å; M126-V161 HydrophobicContact SD-CG1 4.23Å; M126-V161 HydrophobicContact SD-CG2 4.25Å; M126-G163 WeakPolarHBondContact CA-O 3.43Å; M126-M164 HydrophobicContact CB-CB 3.96Å; M126-M164 HydrophobicContact CG-CB 4.14Å; M126-M164 HydrophobicContact SD-CE 4Å; M126-F197 HydrophobicContact CB-CD1 3.98Å; M126-F197 HydrophobicContact CB-CD2 3.49Å; M126-F197 VanDerWaalsContact CB-CD2 3.49Å; M126-F197 HydrophobicContact CB-CE1 3.97Å; M126-F197 HydrophobicContact CB-CE2 3.51Å; M126-F197 HydrophobicContact CB-CG 3.74Å; M126-F197 HydrophobicContact CB-CZ 3.74Å; M126-F197 HydrophobicContact CE-CB 4.27Å; M126-F197 HydrophobicContact CE-CD1 3.49Å; M126-F197 VanDerWaalsContact CE-CD1 3.49Å; M126-F197 HydrophobicContact CE-CE1 4.02Å; M126-F197 HydrophobicContact CE-CG 3.94Å; M126-F197 HydrophobicContact CG-CD2 4.44Å; M126-F197 HydrophobicContact CG-CG 4.35Å; M126-F197 HydrophobicContact SD-CB 3.76Å; M126-F197 HydrophobicContact SD-CD1 4.01Å; M126-F197 HydrophobicContact SD-CD2 4.43Å; M126-F197 HydrophobicContact SD-CG 3.8Å; M126-F238 HydrophobicContact CB-CB 4.29Å; M126-F238 HydrophobicContact CE-CB 4.32Å; M126-F238 HydrophobicContact CE-CD2 3.88Å; M126-F238 HydrophobicContact CE-CE2 4.37Å; M126-F238 HydrophobicContact CE-CG 4Å; M126-F238 PolarHBondContact N-O 2.84Å; M126-F238 PolarHBondContact O-N 2.94Å
127	D	98.6	Very high	96.1	Very high	13 Å²	13	33 Å²	33	7%	0.07	16%	0.157	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-102.1	122.2	173.5	-175.7	-41.4	0	0	0	109	V36 A37 L162 G163 S235 L237	V36-D127 HydrophobicContact CG2-CB 3.78Å; A37-D127 HydrophobicContact CB-CB 3.78Å; D127-L162 HydrophobicContact CB-CB 4.25Å; D127-L162 PolarHBondContact O-N 3.05Å; D127-L162 VanDerWaalsContact OD1-CD1 3.28Å; D127-L162 WeakPolarHBondContact OD1-CD1 3.44Å; D127-G163 PolarHBondContact N-O 2.85Å; D127-S235 WeakPolarHBondContact OD1-CB 3.14Å; D127-S235 PolarHBondContact OD1-OG 3.43Å; D127-L237 HydrophobicContact CB-CD1 4.36Å
128	V	98.6	Very high	96.1	Very high	1 Å²	1	40.4 Å²	40.4	1%	0.006	19%	0.189	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-122.5	112.7	179.5	-171.3	0	0	0	0	109.7	M126 I130 F159 L160 V161 S235 L236 F238 L386	M126-V128 HydrophobicContact CE-CG2 3.7Å; M126-V128 HydrophobicContact CG-CG2 3.73Å; M126-V128 HydrophobicContact SD-CG2 3.88Å; V128-I130 HydrophobicContact CB-CD1 4.41Å; V128-I130 HydrophobicContact CG1-CD1 3.86Å; V128-F159 HydrophobicContact CG1-CB 3.96Å; V128-F159 HydrophobicContact CG1-CD2 3.67Å; V128-F159 HydrophobicContact CG1-CG 4.19Å; V128-L160 CarbonylContact C-O 3.44Å; V128-L160 WeakPolarHBondContact CA-O 3.4Å; V128-V161 HydrophobicContact CG2-CG2 4.45Å; V128-S235 CarbonylContact O-C 3.46Å; V128-S235 WeakPolarHBondContact O-CA 3.42Å; V128-S235 WeakPolarHBondContact O-CB 3.26Å; V128-L236 PolarHBondContact N-O 3.48Å; V128-L236 PolarHBondContact O-N 2.76Å; V128-F238 HydrophobicContact CB-CE2 4.16Å; V128-F238 HydrophobicContact CG2-CD2 3.92Å; V128-F238 HydrophobicContact CG2-CE2 3.81Å; V128-L386 HydrophobicContact CG1-CD2 4.44Å
129	K	98.5	Very high	96.3	Very high	29 Å²	29	37.4 Å²	37.4	13%	0.126	18%	0.179	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-69	133.4	170.9	-176.5	168.8	-68.5	-163.8	0	110.2	M154 F159 L160 L162 A233 S235	K129-M154 HydrophobicContact CB-CE 4.3Å; K129-M154 HydrophobicContact CD-CE 4.25Å; K129-M154 HydrophobicContact CG-CE 3.83Å; K129-F159 CarbonylContact O-C 3.42Å; K129-F159 WeakPolarHBondContact O-CA 3.48Å; K129-F159 WeakPolarHBondContact O-CB 3.31Å; K129-L160 HydrophobicContact CB-CB 4.42Å; K129-L160 PolarHBondContact N-O 2.92Å; K129-L160 PolarHBondContact O-N 2.94Å; K129-L162 HydrophobicContact CB-CD1 4.13Å; K129-L162 HydrophobicContact CB-CD2 4.01Å; K129-L162 HydrophobicContact CB-CG 4.02Å; K129-A233 WeakPolarHBondContact CE-O 3.19Å; K129-S235 WeakPolarHBondContact CA-OG 3.49Å; K129-S235 PolarHBondContact N-OG 3.31Å
130	I	98.6	Very high	96.6	Very high	0 Å²	0	35.2 Å²	35.2	0%	0	18%	0.177	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-112.4	145.8	-178.3	-52.2	-59.1	0	0	0	110.7	V128 F159 S234 L236 Y379 L383 L386	V128-I130 HydrophobicContact CB-CD1 4.41Å; V128-I130 HydrophobicContact CG1-CD1 3.86Å; I130-F159 HydrophobicContact CD1-CB 3.87Å; I130-S234 PolarHBondContact N-O 3.17Å; I130-L236 HydrophobicContact CD1-CD1 4.2Å; I130-L236 HydrophobicContact CD1-CG 4.25Å; I130-L236 HydrophobicContact CG1-CD1 4.16Å; I130-L236 HydrophobicContact CG1-CG 3.8Å; I130-Y379 HydrophobicContact CB-CD1 4.47Å; I130-Y379 HydrophobicContact CB-CD2 4.1Å; I130-Y379 HydrophobicContact CB-CE1 4.08Å; I130-Y379 HydrophobicContact CB-CE2 3.67Å; I130-Y379 HydrophobicContact CB-CG 4.49Å; I130-Y379 HydrophobicContact CG1-CE1 4.44Å; I130-Y379 HydrophobicContact CG2-CD1 3.66Å; I130-Y379 HydrophobicContact CG2-CD2 3.89Å; I130-Y379 HydrophobicContact CG2-CE1 3.64Å; I130-Y379 HydrophobicContact CG2-CE2 3.87Å; I130-Y379 HydrophobicContact CG2-CG 3.79Å; I130-L383 HydrophobicContact CG1-CD2 4.46Å; I130-L383 HydrophobicContact CG2-CD2 4.16Å; I130-L383 HydrophobicContact CG2-CG 4.19Å; I130-L386 HydrophobicContact CD1-CD2 3.88Å
131	G	98.1	Very high	96.7	Very high	3 Å²	3	38.9 Å²	38.9	3%	0.031	21%	0.208	C	C	.	.	S	Bend	trans	120	148.9	170.9	0	0	0	0	0	113.2	K133 M154 G158 G378	G131-K133 PolarHBondContact O-N 3.43Å; G131-M154 WeakPolarHBondContact O-CE 3.3Å; G131-M154 WeakPolarHBondContact O-CG 3.22Å; G131-G158 CarbonylContact C-O 3.57Å; G131-G158 WeakPolarHBondContact CA-O 3.44Å; G131-G158 PolarHBondContact N-O 3.31Å; G131-G378 WeakPolarHBondContact CA-O 3.43Å
132	R	97.9	Very high	96.9	Very high	94 Å²	94	42.8 Å²	42.8	36%	0.355	22%	0.224	S	C	.	.	S	Bend	trans	-67.1	-17.5	175.5	-62	-174.1	74.9	-162.8	-2.7	113.7	E155 G378 Y381	R132-E155 VanDerWaalsContact CZ-O 3.32Å; R132-E155 PolarHBondContact NE-O 2.88Å; R132-E155 VanDerWaalsContact NH2-CG 3.27Å; R132-E155 PolarHBondContact NH2-O 2.85Å; R132-E155 IonicContact NH2-OE1 3.51Å; R132-E155 WeakPolarHBondContact O-CA 3.1Å; R132-E155 PolarHBondContact O-N 2.99Å; R132-G378 PolarHBondContact N-O 3.38Å; R132-Y381 HydrophobicContact CG-CD1 3.62Å; R132-Y381 HydrophobicContact CG-CE1 4.29Å; R132-Y381 HydrophobicContact CG-CG 4.06Å
133	K	96.4	Very high	96.9	Very high	98 Å²	98	45.6 Å²	45.6	43%	0.426	24%	0.236	S	C	.	.			trans	-129.2	128.4	-179.6	-63.7	176.5	179.8	173.9	0	109.7	G131 Y135	G131-K133 PolarHBondContact O-N 3.43Å; K133-Y135 HydrophobicContact CB-CE1 4.28Å; K133-Y135 HydrophobicContact CB-CE2 4.34Å; K133-Y135 HydrophobicContact CD-CE2 3.96Å; K133-Y135 HydrophobicContact CG-CE1 4.32Å; K133-Y135 HydrophobicContact CG-CE2 4.28Å
134	S	93.4	Very high	96.9	Very high	13 Å²	13	48.3 Å²	48.3	9%	0.091	25%	0.25	C	C	.	.	S	Bend	trans	-100.5	8.4	176.2	55.3	0	0	0	0	113.2	Q147	S134-Q147 WeakPolarHBondContact OG-CB 3.34Å
135	Y	96.2	Very high	96.9	Very high	49 Å²	49	55.2 Å²	55.2	19%	0.192	28%	0.282	C	S	.	.	S	Bend	trans	-116.4	150.1	171.4	54.1	-95.1	0	0	0	109.3	K133 I144 Q147 V148 Y232	K133-Y135 HydrophobicContact CB-CE1 4.28Å; K133-Y135 HydrophobicContact CB-CE2 4.34Å; K133-Y135 HydrophobicContact CD-CE2 3.96Å; K133-Y135 HydrophobicContact CG-CE1 4.32Å; K133-Y135 HydrophobicContact CG-CE2 4.28Å; Y135-I144 HydrophobicContact CD1-CB 4.46Å; Y135-I144 HydrophobicContact CD1-CG1 4.44Å; Y135-I144 HydrophobicContact CD1-CG2 4.09Å; Y135-I144 HydrophobicContact CD2-CD1 4.33Å; Y135-I144 HydrophobicContact CD2-CG1 3.75Å; Y135-I144 HydrophobicContact CD2-CG2 4.46Å; Y135-I144 HydrophobicContact CE1-CG2 3.86Å; Y135-I144 HydrophobicContact CE2-CD1 4.4Å; Y135-I144 HydrophobicContact CE2-CG1 4.13Å; Y135-I144 HydrophobicContact CE2-CG2 4.23Å; Y135-I144 HydrophobicContact CG-CB 4.41Å; Y135-I144 HydrophobicContact CG-CG1 3.91Å; Y135-I144 HydrophobicContact CG-CG2 4.39Å; Y135-Q147 HydrophobicContact CD1-CB 4.13Å; Y135-V148 HydrophobicContact CD1-CG2 4.43Å; Y135-V148 HydrophobicContact CE1-CG2 3.89Å; Y135-Y232 VanDerWaalsContact O-CD1 3.31Å; Y135-Y232 WeakPolarHBondContact O-CD1 3.2Å
136	D	95.4	Very high	96.8	Very high	19 Å²	19	59.2 Å²	59.2	10%	0.102	30%	0.301	C	S	.	.			trans	-89.2	169.9	179.8	70.5	49.8	0	0	0	112.6	F138 A139 Y232 H368 F370	D136-F138 PolarHBondContact O-N 3.46Å; D136-F138 VanDerWaalsContact O-N 3.1Å; D136-F138 WeakPolarHBondContact OD1-CA 3.25Å; D136-F138 PolarHBondContact OD1-N 3.17Å; D136-A139 WeakPolarHBondContact O-CB 3.23Å; D136-A139 PolarHBondContact O-N 3.34Å; D136-A139 PolarHBondContact OD1-N 2.95Å; D136-A139 VanDerWaalsContact OD1-N 3.07Å; D136-Y232 HydrophobicContact CB-CD2 4.27Å; D136-Y232 HydrophobicContact CB-CG 4.23Å; D136-H368 HydrophobicContact CB-CB 4.32Å; D136-H368 IonicContact OD2-CE1 2.65Å; D136-H368 PolarHBondContact OD2-CE1 3.23Å; D136-H368 IonicContact OD2-CG 3.79Å; D136-H368 IonicContact OD2-ND1 3.8Å; D136-H368 PolarHBondContact OD2-ND1 3.25Å; D136-F370 HydrophobicContact CB-CD2 4.36Å; D136-F370 HydrophobicContact CB-CE2 3.41Å; D136-F370 VanDerWaalsContact CB-CE2 3.41Å; D136-F370 HydrophobicContact CB-CZ 3.79Å
137	P	95.4	Very high	96.5	Very high	80 Å²	80	60 Å²	60	52%	0.519	31%	0.305	S	S	.	.	T	Hydrogen-bonded Turn	trans	-61.4	-15.5	-178.3	-26.3	36.7	0	0	0	115.8	Y232	P137-Y232 HydrophobicContact CG-CE2 3.78Å
138	F	96.3	Very high	96.4	Very high	161 Å²	161	62.5 Å²	62.5	71%	0.706	32%	0.32	S	S	*	.	T	Hydrogen-bonded Turn	trans	-108.8	7	-177.8	-54	-76.8	0	0	0	112.7	D136 F370	D136-F138 PolarHBondContact O-N 3.46Å; D136-F138 VanDerWaalsContact O-N 3.1Å; D136-F138 WeakPolarHBondContact OD1-CA 3.25Å; D136-F138 PolarHBondContact OD1-N 3.17Å; F138-F370 HydrophobicContact CD2-CD1 4.03Å; F138-F370 AromaticContact CD2-CE1 3.44Å; F138-F370 HydrophobicContact CD2-CE1 3.44Å; F138-F370 VanDerWaalsContact CD2-CE1 3.44Å; F138-F370 AromaticContact CD2-CZ 3.96Å; F138-F370 HydrophobicContact CD2-CZ 3.96Å; F138-F370 AromaticContact CE2-CD1 3.57Å; F138-F370 HydrophobicContact CE2-CD1 3.57Å; F138-F370 AromaticContact CE2-CE1 3.46Å; F138-F370 HydrophobicContact CE2-CE1 3.46Å; F138-F370 VanDerWaalsContact CE2-CE1 3.46Å; F138-F370 HydrophobicContact CE2-CG 4.49Å; F138-F370 HydrophobicContact CE2-CZ 4.34Å
139	A	95.7	Very high	96.3	Very high	21 Å²	21	66.4 Å²	66.4	17%	0.174	35%	0.348	C	S	.	.			trans	-64.4	137.6	178.3	0	0	0	0	0	111.6	D136 K143 I144	D136-A139 WeakPolarHBondContact O-CB 3.23Å; D136-A139 PolarHBondContact O-N 3.34Å; D136-A139 PolarHBondContact OD1-N 2.95Å; D136-A139 VanDerWaalsContact OD1-N 3.07Å; A139-K143 HydrophobicContact CB-CB 4.14Å; A139-K143 HydrophobicContact CB-CG 3.96Å; A139-I144 HydrophobicContact CB-CG1 3.9Å
140	S	96.7	Very high	96.1	Very high	59 Å²	59	68.7 Å²	68.7	41%	0.413	36%	0.358	S	S	.	.			trans	-64.6	159.2	172.4	69.9	0	0	0	0	111.5	E142 K143 I144	S140-E142 PolarHBondContact O-N 3.24Å; S140-K143 WeakPolarHBondContact O-CA 3.34Å; S140-K143 WeakPolarHBondContact O-CB 3.35Å; S140-K143 PolarHBondContact O-N 3.44Å; S140-K143 WeakPolarHBondContact OG-CB 3.43Å; S140-K143 PolarHBondContact OG-N 3.34Å; S140-I144 WeakPolarHBondContact O-CG1 3.36Å; S140-I144 PolarHBondContact O-N 3.15Å
141	A	97.4	Very high	96	Very high	81 Å²	81	69.1 Å²	69.1	67%	0.669	36%	0.359	S	S	*	.	H	α-helix	trans	-54.1	-41.2	176.1	0	0	0	0	0	112.4	K143 I144 Q145	A141-K143 VanDerWaalsContact C-N 3.35Å; A141-K143 PolarHBondContact O-N 2.95Å; A141-I144 PolarHBondContact O-N 2.97Å; A141-Q145 WeakPolarHBondContact O-CB 3.32Å; A141-Q145 PolarHBondContact O-N 3.1Å
142	E	97	Very high	95.9	Very high	151 Å²	151	73.3 Å²	73.3	71%	0.706	39%	0.386	S	S	*	.	H	α-helix	trans	-62.4	-41.9	175.3	-60.7	146.3	176.5	0	0	111.5	S140 Q145 Q146	S140-E142 PolarHBondContact O-N 3.24Å; E142-Q145 PolarHBondContact O-N 3.2Å; E142-Q146 VanDerWaalsContact O-CB 3.31Å; E142-Q146 WeakPolarHBondContact O-CB 3.19Å; E142-Q146 PolarHBondContact O-N 2.96Å
143	K	94.1	Very high	95.9	Very high	81 Å²	81	71.2 Å²	71.2	35%	0.352	38%	0.381	S	S	.	.	H	α-helix	trans	-66.6	-41.2	178.4	-176.9	61.3	175.8	-172.7	0	111.4	A139 S140 A141 Q146 Q147	A139-K143 HydrophobicContact CB-CB 4.14Å; A139-K143 HydrophobicContact CB-CG 3.96Å; S140-K143 WeakPolarHBondContact O-CA 3.34Å; S140-K143 WeakPolarHBondContact O-CB 3.35Å; S140-K143 PolarHBondContact O-N 3.44Å; S140-K143 WeakPolarHBondContact OG-CB 3.43Å; S140-K143 PolarHBondContact OG-N 3.34Å; A141-K143 VanDerWaalsContact C-N 3.35Å; A141-K143 PolarHBondContact O-N 2.95Å; K143-Q146 VanDerWaalsContact NZ-OE1 3.08Å; K143-Q146 PolarHBondContact O-N 2.88Å; K143-Q147 HydrophobicContact CD-CG 4.49Å; K143-Q147 WeakPolarHBondContact O-CG 3.22Å; K143-Q147 PolarHBondContact O-N 3.14Å
144	I	96.8	Very high	96	Very high	56 Å²	56	66.9 Å²	66.9	29%	0.287	36%	0.363	S	S	.	.	H	α-helix	trans	-59.4	-53.4	174.7	-66.8	170.4	0	0	0	109.3	Y135 A139 S140 A141 Q146 Q147 V148	Y135-I144 HydrophobicContact CD1-CB 4.46Å; Y135-I144 HydrophobicContact CD1-CG1 4.44Å; Y135-I144 HydrophobicContact CD1-CG2 4.09Å; Y135-I144 HydrophobicContact CD2-CD1 4.33Å; Y135-I144 HydrophobicContact CD2-CG1 3.75Å; Y135-I144 HydrophobicContact CD2-CG2 4.46Å; Y135-I144 HydrophobicContact CE1-CG2 3.86Å; Y135-I144 HydrophobicContact CE2-CD1 4.4Å; Y135-I144 HydrophobicContact CE2-CG1 4.13Å; Y135-I144 HydrophobicContact CE2-CG2 4.23Å; Y135-I144 HydrophobicContact CG-CB 4.41Å; Y135-I144 HydrophobicContact CG-CG1 3.91Å; Y135-I144 HydrophobicContact CG-CG2 4.39Å; A139-I144 HydrophobicContact CB-CG1 3.9Å; S140-I144 WeakPolarHBondContact O-CG1 3.36Å; S140-I144 PolarHBondContact O-N 3.15Å; A141-I144 PolarHBondContact O-N 2.97Å; I144-Q146 VanDerWaalsContact C-N 3.31Å; I144-Q146 PolarHBondContact O-N 2.93Å; I144-Q147 PolarHBondContact O-N 3.48Å; I144-Q147 VanDerWaalsContact O-N 3.08Å; I144-V148 HydrophobicContact CG2-CG2 4.38Å; I144-V148 WeakPolarHBondContact O-CG2 2.98Å; I144-V148 PolarHBondContact O-N 3.34Å
145	Q	97.1	Very high	96.1	Very high	145 Å²	145	71.2 Å²	71.2	68%	0.678	38%	0.382	S	S	*	.	H	α-helix	trans	-58.4	-42.1	179	-170.4	-179.2	14.3	0	0	112	A141 E142 Q147 V148 S149	A141-Q145 WeakPolarHBondContact O-CB 3.32Å; A141-Q145 PolarHBondContact O-N 3.1Å; E142-Q145 PolarHBondContact O-N 3.2Å; Q145-Q147 PolarHBondContact O-N 3.15Å; Q145-V148 PolarHBondContact O-N 3.39Å; Q145-S149 VanDerWaalsContact O-CB 3.31Å; Q145-S149 WeakPolarHBondContact O-CB 3.33Å; Q145-S149 PolarHBondContact O-N 2.98Å; Q145-S149 PolarHBondContact O-OG 3.24Å
146	Q	95.3	Very high	96.2	Very high	88 Å²	88	72.9 Å²	72.9	41%	0.411	39%	0.391	S	S	.	.	H	α-helix	trans	-61.5	-40.9	175.6	-177.6	-166.8	71.2	0	0	112.6	E142 K143 I144 S149 K150	E142-Q146 VanDerWaalsContact O-CB 3.31Å; E142-Q146 WeakPolarHBondContact O-CB 3.19Å; E142-Q146 PolarHBondContact O-N 2.96Å; K143-Q146 VanDerWaalsContact NZ-OE1 3.08Å; K143-Q146 PolarHBondContact O-N 2.88Å; I144-Q146 VanDerWaalsContact C-N 3.31Å; I144-Q146 PolarHBondContact O-N 2.93Å; Q146-S149 PolarHBondContact O-OG 3.34Å; Q146-S149 VanDerWaalsContact O-OG 3.12Å; Q146-K150 VanDerWaalsContact O-CG 3.32Å; Q146-K150 WeakPolarHBondContact O-CG 3.42Å; Q146-K150 PolarHBondContact O-N 3.38Å
147	Q	93.6	Very high	96.3	Very high	18 Å²	18	72 Å²	72	8%	0.084	39%	0.386	C	S	.	.	H	α-helix	trans	-72.9	-39.9	180	-72.4	-51.1	-57.6	0	0	111.8	S134 Y135 K143 I144 Q145 K150	S134-Q147 WeakPolarHBondContact OG-CB 3.34Å; Y135-Q147 HydrophobicContact CD1-CB 4.13Å; K143-Q147 HydrophobicContact CD-CG 4.49Å; K143-Q147 WeakPolarHBondContact O-CG 3.22Å; K143-Q147 PolarHBondContact O-N 3.14Å; I144-Q147 PolarHBondContact O-N 3.48Å; I144-Q147 VanDerWaalsContact O-N 3.08Å; Q145-Q147 PolarHBondContact O-N 3.15Å; Q147-K150 PolarHBondContact O-N 3.04Å
148	V	95.7	Very high	96.5	Very high	66 Å²	66	68.1 Å²	68.1	40%	0.4	36%	0.362	S	S	.	.	H	α-helix	trans	-64.7	-44.9	175.4	174	0	0	0	0	110.8	Y135 I144 Q145 K150 Y151 P152	Y135-V148 HydrophobicContact CD1-CG2 4.43Å; Y135-V148 HydrophobicContact CE1-CG2 3.89Å; I144-V148 HydrophobicContact CG2-CG2 4.38Å; I144-V148 WeakPolarHBondContact O-CG2 2.98Å; I144-V148 PolarHBondContact O-N 3.34Å; Q145-V148 PolarHBondContact O-N 3.39Å; V148-K150 PolarHBondContact O-N 3.17Å; V148-Y151 CarbonylContact O-C 3.42Å; V148-Y151 PolarHBondContact O-N 3.41Å; V148-Y151 VanDerWaalsContact O-N 3.12Å; V148-P152 WeakPolarHBondContact O-CA 3.4Å; V148-P152 WeakPolarHBondContact O-CD 3.36Å
149	S	96.3	Very high	96.6	Very high	83 Å²	83	60.5 Å²	60.5	58%	0.58	33%	0.328	S	S	*	.	H	α-helix	trans	-65.1	-26.8	-179.1	68.6	0	0	0	0	113.6	Q145 Q146 Y151	Q145-S149 VanDerWaalsContact O-CB 3.31Å; Q145-S149 WeakPolarHBondContact O-CB 3.33Å; Q145-S149 PolarHBondContact O-N 2.98Å; Q145-S149 PolarHBondContact O-OG 3.24Å; Q146-S149 PolarHBondContact O-OG 3.34Å; Q146-S149 VanDerWaalsContact O-OG 3.12Å; S149-Y151 VanDerWaalsContact C-N 3.33Å
150	K	94.8	Very high	96.7	Very high	77 Å²	77	60 Å²	60	34%	0.335	32%	0.322	S	S	.	.	H	α-helix	trans	-65	-36.3	174.3	-79.3	172.5	178.7	179.9	0	112.7	Q146 Q147 V148 R183	Q146-K150 VanDerWaalsContact O-CG 3.32Å; Q146-K150 WeakPolarHBondContact O-CG 3.42Å; Q146-K150 PolarHBondContact O-N 3.38Å; Q147-K150 PolarHBondContact O-N 3.04Å; V148-K150 PolarHBondContact O-N 3.17Å; K150-R183 WeakPolarHBondContact O-CD 3.44Å; K150-R183 VanDerWaalsContact O-CG 3.31Å; K150-R183 WeakPolarHBondContact O-CG 3.34Å
151	Y	96.4	Very high	96.8	Very high	8 Å²	8	57.3 Å²	57.3	3%	0.031	30%	0.303	C	S	.	.			trans	-157.1	87.4	178.2	-167.2	-125.4	0	0	0	110.6	V148 S149 L153 M154 I157 L160 R183 L185	V148-Y151 CarbonylContact O-C 3.42Å; V148-Y151 PolarHBondContact O-N 3.41Å; V148-Y151 VanDerWaalsContact O-N 3.12Å; S149-Y151 VanDerWaalsContact C-N 3.33Å; Y151-L153 HydrophobicContact CE1-CB 4.12Å; Y151-L153 HydrophobicContact CE2-CB 4.2Å; Y151-L153 HydrophobicContact CE2-CD1 4.49Å; Y151-L153 PolarHBondContact O-N 2.7Å; Y151-M154 HydrophobicContact CD1-CB 3.91Å; Y151-M154 HydrophobicContact CD1-SD 3.92Å; Y151-M154 WeakPolarHBondContact O-CB 3.32Å; Y151-M154 PolarHBondContact O-N 3.33Å; Y151-I157 HydrophobicContact CE1-CD1 4.42Å; Y151-I157 WeakPolarHBondContact OH-CD1 3.02Å; Y151-L160 HydrophobicContact CD1-CB 3.94Å; Y151-L160 HydrophobicContact CD1-CD1 3.83Å; Y151-L160 HydrophobicContact CD1-CD2 4.16Å; Y151-L160 HydrophobicContact CD1-CG 4.18Å; Y151-L160 HydrophobicContact CD2-CD1 4.02Å; Y151-L160 HydrophobicContact CE1-CB 4.08Å; Y151-L160 HydrophobicContact CE1-CD1 3.91Å; Y151-L160 HydrophobicContact CE1-CG 4.49Å; Y151-L160 HydrophobicContact CE2-CD1 4.11Å; Y151-L160 HydrophobicContact CG-CD1 3.87Å; Y151-L160 HydrophobicContact CG-CD2 4.14Å; Y151-L160 HydrophobicContact CG-CG 4.44Å; Y151-R183 HydrophobicContact CD2-CB 4.37Å; Y151-R183 HydrophobicContact CD2-CG 4.49Å; Y151-L185 WeakPolarHBondContact CE2-O 3.42Å; Y151-L185 PolarHBondContact OH-O 3.49Å
152	P	96.6	Very high	96.8	Very high	92 Å²	92	54.8 Å²	54.8	60%	0.597	28%	0.278	S	S	*	.	T	Hydrogen-bonded Turn	trans	-61.5	-26.2	-176.1	-26.2	35.6	0	0	0	113.4	V148 M154	V148-P152 WeakPolarHBondContact O-CA 3.4Å; V148-P152 WeakPolarHBondContact O-CD 3.36Å; P152-M154 PolarHBondContact O-N 2.92Å
153	L	97.4	Very high	96.8	Very high	49 Å²	49	47.6 Å²	47.6	26%	0.257	25%	0.245	S	C	.	.	T	Hydrogen-bonded Turn	trans	-77.3	-0.9	178.6	-58.6	176.8	0	0	0	113.5	Y151 E155 E156 I157 T186	Y151-L153 HydrophobicContact CE1-CB 4.12Å; Y151-L153 HydrophobicContact CE2-CB 4.2Å; Y151-L153 HydrophobicContact CE2-CD1 4.49Å; Y151-L153 PolarHBondContact O-N 2.7Å; L153-E155 PolarHBondContact O-N 3.49Å; L153-E156 WeakPolarHBondContact CD2-OE2 3.36Å; L153-E156 PolarHBondContact O-N 2.89Å; L153-I157 HydrophobicContact CB-CD1 3.78Å; L153-I157 HydrophobicContact CB-CG1 4.29Å; L153-I157 HydrophobicContact CD1-CD1 4.09Å; L153-I157 WeakPolarHBondContact O-CB 3.15Å; L153-I157 PolarHBondContact O-N 2.81Å; L153-T186 HydrophobicContact CD1-CG2 4.45Å
154	M	97.6	Very high	97	Very high	8 Å²	8	43.8 Å²	43.8	4%	0.039	23%	0.229	C	C	.	.	H	α-helix	trans	-56.5	-39.7	-179.1	-165.5	79.7	-167.1	0	0	112.1	K129 G131 Y151 P152 E156 G158 L160	K129-M154 HydrophobicContact CB-CE 4.3Å; K129-M154 HydrophobicContact CD-CE 4.25Å; K129-M154 HydrophobicContact CG-CE 3.83Å; G131-M154 WeakPolarHBondContact O-CE 3.3Å; G131-M154 WeakPolarHBondContact O-CG 3.22Å; Y151-M154 HydrophobicContact CD1-CB 3.91Å; Y151-M154 HydrophobicContact CD1-SD 3.92Å; Y151-M154 WeakPolarHBondContact O-CB 3.32Å; Y151-M154 PolarHBondContact O-N 3.33Å; P152-M154 PolarHBondContact O-N 2.92Å; M154-E156 VanDerWaalsContact C-N 3.31Å; M154-E156 PolarHBondContact O-N 3.01Å; M154-G158 WeakPolarHBondContact O-CA 3.13Å; M154-G158 PolarHBondContact O-N 3.08Å; M154-L160 HydrophobicContact CE-CB 4.21Å; M154-L160 HydrophobicContact SD-CB 3.65Å
155	E	97.1	Very high	97	Very high	103 Å²	103	43.3 Å²	43.3	48%	0.481	22%	0.223	S	C	.	.	H	α-helix	trans	-71.1	-29.1	179.7	180	162.9	-158	0	0	112.4	R132 L153	R132-E155 VanDerWaalsContact CZ-O 3.32Å; R132-E155 PolarHBondContact NE-O 2.88Å; R132-E155 VanDerWaalsContact NH2-CG 3.27Å; R132-E155 PolarHBondContact NH2-O 2.85Å; R132-E155 IonicContact NH2-OE1 3.51Å; R132-E155 WeakPolarHBondContact O-CA 3.1Å; R132-E155 PolarHBondContact O-N 2.99Å; L153-E155 PolarHBondContact O-N 3.49Å
156	E	97.3	Very high	97	Very high	84 Å²	84	36.6 Å²	36.6	39%	0.393	19%	0.192	S	C	.	.	H	α-helix	trans	-89.8	-34.9	-176.3	-154.2	-170.7	169.7	0	0	112.5	L153 M154 K187 Y381	L153-E156 WeakPolarHBondContact CD2-OE2 3.36Å; L153-E156 PolarHBondContact O-N 2.89Å; M154-E156 VanDerWaalsContact C-N 3.31Å; M154-E156 PolarHBondContact O-N 3.01Å; E156-K187 HydrophobicContact CG-CD 4.5Å; E156-K187 VanDerWaalsContact CG-NZ 3.33Å; E156-K187 WeakPolarHBondContact OE1-CD 3.48Å; E156-K187 WeakPolarHBondContact OE1-CE 3.2Å; E156-K187 IonicContact OE1-NZ 2.85Å; E156-K187 PolarHBondContact OE1-NZ 3.21Å; E156-Y381 PolarHBondContact O-OH 2.87Å; E156-Y381 VanDerWaalsContact O-OH 3.1Å
157	I	98.2	Very high	97.1	Very high	0 Å²	0	33 Å²	33	0%	0	18%	0.175	C	C	.	.	H	α-helix	trans	-92.7	-36.2	179.4	-69.5	172.5	0	0	0	111	Y151 L153 F159 K187 L190 H385	Y151-I157 HydrophobicContact CE1-CD1 4.42Å; Y151-I157 WeakPolarHBondContact OH-CD1 3.02Å; L153-I157 HydrophobicContact CB-CD1 3.78Å; L153-I157 HydrophobicContact CB-CG1 4.29Å; L153-I157 HydrophobicContact CD1-CD1 4.09Å; L153-I157 WeakPolarHBondContact O-CB 3.15Å; L153-I157 PolarHBondContact O-N 2.81Å; I157-F159 VanDerWaalsContact C-N 3.26Å; I157-F159 HydrophobicContact CG2-CD1 3.9Å; I157-F159 HydrophobicContact CG2-CD2 4.46Å; I157-F159 HydrophobicContact CG2-CE1 3.91Å; I157-F159 HydrophobicContact CG2-CE2 4.48Å; I157-F159 HydrophobicContact CG2-CG 4.19Å; I157-F159 HydrophobicContact CG2-CZ 4.23Å; I157-F159 WeakPolarHBondContact CG2-O 3.42Å; I157-F159 PolarHBondContact O-N 2.97Å; I157-K187 HydrophobicContact CD1-CG 4.26Å; I157-K187 HydrophobicContact CG1-CG 4.02Å; I157-L190 HydrophobicContact CD1-CD2 4.48Å; I157-L190 HydrophobicContact CG1-CD2 4.45Å; I157-L190 HydrophobicContact CG2-CD1 4.29Å; I157-L190 HydrophobicContact CG2-CD2 3.69Å; I157-H385 PolarHBondContact O-ND1 2.67Å
158	G	98.3	Very high	97.2	Very high	0 Å²	0	34 Å²	34	0%	0	18%	0.179	C	C	.	.	S	Bend	trans	78.9	0.8	179	0	0	0	0	0	115.4	G131 M154 G382	G131-G158 CarbonylContact C-O 3.57Å; G131-G158 WeakPolarHBondContact CA-O 3.44Å; G131-G158 PolarHBondContact N-O 3.31Å; M154-G158 WeakPolarHBondContact O-CA 3.13Å; M154-G158 PolarHBondContact O-N 3.08Å; G158-G382 WeakPolarHBondContact O-CA 3.32Å
159	F	98.6	Very high	97	Very high	0 Å²	0	33.1 Å²	33.1	0%	0	17%	0.172	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-153.3	164	171.2	68.4	-93.8	0	0	0	111.6	V128 K129 I130 I157 L190 V194 H385 L386 V389	V128-F159 HydrophobicContact CG1-CB 3.96Å; V128-F159 HydrophobicContact CG1-CD2 3.67Å; V128-F159 HydrophobicContact CG1-CG 4.19Å; K129-F159 CarbonylContact O-C 3.42Å; K129-F159 WeakPolarHBondContact O-CA 3.48Å; K129-F159 WeakPolarHBondContact O-CB 3.31Å; I130-F159 HydrophobicContact CD1-CB 3.87Å; I157-F159 VanDerWaalsContact C-N 3.26Å; I157-F159 HydrophobicContact CG2-CD1 3.9Å; I157-F159 HydrophobicContact CG2-CD2 4.46Å; I157-F159 HydrophobicContact CG2-CE1 3.91Å; I157-F159 HydrophobicContact CG2-CE2 4.48Å; I157-F159 HydrophobicContact CG2-CG 4.19Å; I157-F159 HydrophobicContact CG2-CZ 4.23Å; I157-F159 WeakPolarHBondContact CG2-O 3.42Å; I157-F159 PolarHBondContact O-N 2.97Å; F159-L190 HydrophobicContact CE1-CD2 4.03Å; F159-L190 HydrophobicContact CE2-CD1 3.77Å; F159-L190 HydrophobicContact CE2-CD2 4.34Å; F159-L190 HydrophobicContact CE2-CG 4.26Å; F159-L190 HydrophobicContact CZ-CD1 3.84Å; F159-L190 HydrophobicContact CZ-CD2 3.57Å; F159-L190 HydrophobicContact CZ-CG 3.82Å; F159-V194 HydrophobicContact CE2-CG2 4.19Å; F159-H385 HydrophobicContact CE1-CB 4.41Å; F159-H385 AromaticContact CE1-ND1 3.99Å; F159-L386 HydrophobicContact CD1-CB 3.95Å; F159-L386 HydrophobicContact CD1-CD1 4.5Å; F159-L386 HydrophobicContact CD2-CD1 4.23Å; F159-L386 HydrophobicContact CE1-CB 3.98Å; F159-L386 HydrophobicContact CE1-CD1 4.19Å; F159-L386 HydrophobicContact CE2-CD1 3.9Å; F159-L386 HydrophobicContact CG-CB 4.47Å; F159-L386 HydrophobicContact CZ-CD1 3.86Å; F159-V389 HydrophobicContact CE1-CG2 4.36Å; F159-V389 HydrophobicContact CZ-CB 4.5Å; F159-V389 HydrophobicContact CZ-CG2 4.14Å
160	L	98.4	Very high	96.6	Very high	11 Å²	11	36 Å²	36	6%	0.058	18%	0.176	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-145.9	125.5	179.5	168.9	64.2	0	0	0	110.6	V128 K129 Y151 M154 L162 G182 R183	V128-L160 CarbonylContact C-O 3.44Å; V128-L160 WeakPolarHBondContact CA-O 3.4Å; K129-L160 HydrophobicContact CB-CB 4.42Å; K129-L160 PolarHBondContact N-O 2.92Å; K129-L160 PolarHBondContact O-N 2.94Å; Y151-L160 HydrophobicContact CD1-CB 3.94Å; Y151-L160 HydrophobicContact CD1-CD1 3.83Å; Y151-L160 HydrophobicContact CD1-CD2 4.16Å; Y151-L160 HydrophobicContact CD1-CG 4.18Å; Y151-L160 HydrophobicContact CD2-CD1 4.02Å; Y151-L160 HydrophobicContact CE1-CB 4.08Å; Y151-L160 HydrophobicContact CE1-CD1 3.91Å; Y151-L160 HydrophobicContact CE1-CG 4.49Å; Y151-L160 HydrophobicContact CE2-CD1 4.11Å; Y151-L160 HydrophobicContact CG-CD1 3.87Å; Y151-L160 HydrophobicContact CG-CD2 4.14Å; Y151-L160 HydrophobicContact CG-CG 4.44Å; M154-L160 HydrophobicContact CE-CB 4.21Å; M154-L160 HydrophobicContact SD-CB 3.65Å; L160-L162 HydrophobicContact CD2-CD2 3.86Å; L160-L162 HydrophobicContact CG-CD2 4Å; L160-L162 PolarHBondContact O-N 3.25Å; L160-G182 VanDerWaalsContact CD1-C 3.41Å; L160-G182 WeakPolarHBondContact CD1-O 3.25Å; L160-R183 HydrophobicContact CD1-CG 4.19Å; L160-R183 HydrophobicContact CD2-CG 4.39Å
161	V	98.2	Very high	96.5	Very high	2 Å²	2	35.6 Å²	35.6	1%	0.012	18%	0.183	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-68.9	118.4	170.2	-179.2	0	0	0	0	109.2	M126 V128 M164 G182 L185 V194	M126-V161 HydrophobicContact CG-CG1 4.13Å; M126-V161 HydrophobicContact SD-CG1 4.23Å; M126-V161 HydrophobicContact SD-CG2 4.25Å; V128-V161 HydrophobicContact CG2-CG2 4.45Å; V161-M164 HydrophobicContact CG1-CE 3.78Å; V161-G182 WeakPolarHBondContact O-CA 3.49Å; V161-L185 HydrophobicContact CG2-CD1 4.19Å; V161-V194 HydrophobicContact CG2-CG2 4.45Å
162	L	97.4	Very high	96.4	Very high	28 Å²	28	39.4 Å²	39.4	15%	0.147	20%	0.204	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-88	-27.6	179.6	-61.1	-170.6	0	0	0	112.7	A37 D127 K129 L160 N178 Q179	A37-L162 HydrophobicContact CB-CB 3.63Å; A37-L162 HydrophobicContact CB-CD1 4.28Å; D127-L162 HydrophobicContact CB-CB 4.25Å; D127-L162 PolarHBondContact O-N 3.05Å; D127-L162 VanDerWaalsContact OD1-CD1 3.28Å; D127-L162 WeakPolarHBondContact OD1-CD1 3.44Å; K129-L162 HydrophobicContact CB-CD1 4.13Å; K129-L162 HydrophobicContact CB-CD2 4.01Å; K129-L162 HydrophobicContact CB-CG 4.02Å; L160-L162 HydrophobicContact CD2-CD2 3.86Å; L160-L162 HydrophobicContact CG-CD2 4Å; L160-L162 PolarHBondContact O-N 3.25Å; L162-N178 CarbonylContact O-C 3.56Å; L162-Q179 WeakPolarHBondContact O-CA 3.49Å; L162-Q179 PolarHBondContact O-N 2.8Å
163	G	97.3	Very high	96.3	Very high	0 Å²	0	37.5 Å²	37.5	0%	0	19%	0.193	C	C	.	.	E	Extended strand (participates in β ladder)	trans	173.7	162.4	176.1	0	0	0	0	0	110.9	M126 D127 Q177	M126-G163 WeakPolarHBondContact CA-O 3.43Å; D127-G163 PolarHBondContact N-O 2.85Å; G163-Q177 CarbonylContact C-O 3.55Å; G163-Q177 WeakPolarHBondContact CA-O 3.4Å
164	M	98	Very high	96.3	Very high	2 Å²	2	37.8 Å²	37.8	1%	0.01	19%	0.191	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-147.8	158.1	174.1	59	176.2	78.1	0	0	111.4	I125 M126 V161 V166 T176 Q177 Y181 F197	I125-M164 CarbonylContact O-C 3.46Å; I125-M164 WeakPolarHBondContact O-CA 3.36Å; I125-M164 WeakPolarHBondContact O-CB 3.49Å; M126-M164 HydrophobicContact CB-CB 3.96Å; M126-M164 HydrophobicContact CG-CB 4.14Å; M126-M164 HydrophobicContact SD-CE 4Å; V161-M164 HydrophobicContact CG1-CE 3.78Å; M164-V166 HydrophobicContact CG-CG2 4.41Å; M164-V166 HydrophobicContact SD-CG2 4.09Å; M164-T176 CarbonylContact O-C 3.57Å; M164-T176 VanDerWaalsContact O-CA 3.3Å; M164-T176 WeakPolarHBondContact O-CA 3.37Å; M164-Q177 HydrophobicContact CG-CB 3.66Å; M164-Q177 HydrophobicContact CG-CG 3.96Å; M164-Q177 PolarHBondContact N-O 2.8Å; M164-Q177 PolarHBondContact O-N 3.07Å; M164-Q177 HydrophobicContact SD-CB 4.43Å; M164-Q177 HydrophobicContact SD-CG 4.22Å; M164-Y181 HydrophobicContact CE-CD1 4.15Å; M164-Y181 HydrophobicContact CE-CE1 3.54Å; M164-Y181 HydrophobicContact SD-CE1 4.4Å; M164-F197 HydrophobicContact CB-CD2 4.12Å; M164-F197 HydrophobicContact CE-CB 4.1Å; M164-F197 HydrophobicContact SD-CB 4Å
165	R	97.7	Very high	96.2	Very high	45 Å²	45	40.5 Å²	40.5	17%	0.17	20%	0.203	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-136.4	114.8	174	176.2	168	-172.6	-88.2	4.6	107.3	V36 C124 I125 Y174 E175 T176	V36-R165 HydrophobicContact CG1-CB 3.56Å; C124-R165 CarbonylContact C-O 3.58Å; C124-R165 VanDerWaalsContact CA-O 3.23Å; C124-R165 WeakPolarHBondContact CA-O 3.36Å; I125-R165 PolarHBondContact N-O 3.32Å; I125-R165 PolarHBondContact O-N 3.06Å; R165-Y174 HydrophobicContact CG-CD1 3.45Å; R165-Y174 VanDerWaalsContact CG-CD1 3.45Å; R165-Y174 HydrophobicContact CG-CE1 4.12Å; R165-Y174 HydrophobicContact CG-CG 4.01Å; R165-Y174 VanDerWaalsContact CZ-CD1 3.43Å; R165-Y174 VanDerWaalsContact CZ-CD2 3.43Å; R165-Y174 PolarHBondContact NH1-OH 2.83Å; R165-E175 CarbonylContact C-O 3.55Å; R165-E175 WeakPolarHBondContact CA-O 3.4Å; R165-T176 HydrophobicContact CB-CG2 4.02Å; R165-T176 HydrophobicContact CG-CG2 3.87Å
166	V	97.6	Very high	96.2	Very high	4 Å²	4	40 Å²	40	2%	0.024	21%	0.207	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-119.9	126.7	-171.6	-173.3	0	0	0	0	108.8	M164 Y174 E175 F197	M164-V166 HydrophobicContact CG-CG2 4.41Å; M164-V166 HydrophobicContact SD-CG2 4.09Å; V166-Y174 CarbonylContact O-C 3.12Å; V166-Y174 VanDerWaalsContact O-CA 3.3Å; V166-Y174 WeakPolarHBondContact O-CA 3.45Å; V166-E175 PolarHBondContact N-O 2.8Å; V166-E175 PolarHBondContact O-N 2.88Å; V166-F197 HydrophobicContact CG2-CD2 3.92Å
167	Y	97	Very high	96.1	Very high	14 Å²	14	38.1 Å²	38.1	6%	0.055	20%	0.199	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-79.4	129.5	175.1	-178.8	-106	0	0	0	110.7	K122 C124 L169 D172 Y174	K122-Y167 HydrophobicContact CB-CD1 4.09Å; K122-Y167 HydrophobicContact CB-CD2 4Å; K122-Y167 HydrophobicContact CB-CE1 4.34Å; K122-Y167 HydrophobicContact CB-CE2 4.27Å; K122-Y167 HydrophobicContact CB-CG 3.88Å; K122-Y167 HydrophobicContact CD-CD2 4.04Å; K122-Y167 HydrophobicContact CD-CE2 3.68Å; K122-Y167 HydrophobicContact CG-CD2 4.22Å; K122-Y167 HydrophobicContact CG-CE1 4.3Å; K122-Y167 HydrophobicContact CG-CE2 3.99Å; K122-Y167 HydrophobicContact CG-CG 4.47Å; C124-Y167 PolarHBondContact SG-N 3.46Å; Y167-L169 HydrophobicContact CE1-CD1 4.09Å; Y167-D172 VanDerWaalsContact CE2-OD1 3.24Å; Y167-D172 WeakPolarHBondContact CE2-OD1 3.16Å; Y167-D172 PolarHBondContact OH-OD1 2.81Å; Y167-Y174 HydrophobicContact CD2-CD1 4.44Å; Y167-Y174 HydrophobicContact CD2-CD2 4.16Å; Y167-Y174 HydrophobicContact CD2-CE1 4.09Å; Y167-Y174 AromaticContact CD2-CE2 3.77Å; Y167-Y174 HydrophobicContact CD2-CE2 3.77Å; Y167-Y174 AromaticContact CD2-CZ 3.76Å; Y167-Y174 HydrophobicContact CE2-CE2 4.49Å; Y167-Y174 HydrophobicContact CG-CE1 4.28Å
168	H	95.2	Very high	96	Very high	39 Å²	39	42.6 Å²	42.6	18%	0.181	22%	0.222	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-104.9	119.3	176.7	-79	-137.7	0	0	0	110	H170 S171 D172 S173 E175 N200	H168-H170 PolarHBondContact O-N 3.49Å; H168-S171 WeakPolarHBondContact CB-OG 3.18Å; H168-S171 PolarHBondContact O-N 2.85Å; H168-D172 PolarHBondContact O-N 2.8Å; H168-S173 PolarHBondContact N-O 2.87Å; H168-E175 IonicContact CE1-OE2 2.8Å; H168-E175 PolarHBondContact CE1-OE2 2.72Å; H168-E175 IonicContact NE2-OE2 3.4Å; H168-N200 WeakPolarHBondContact CA-O 3.21Å
169	L	90.8	Very high	95.7	Very high	47 Å²	47	46.7 Å²	46.7	25%	0.246	24%	0.241	C	C	.	.	T	Hydrogen-bonded Turn	trans	-65.9	-39.8	-167.8	-173.8	66.3	0	0	0	113.3	Y167 N200 Q245	Y167-L169 HydrophobicContact CE1-CD1 4.09Å; L169-N200 PolarHBondContact N-O 2.62Å; L169-Q245 HydrophobicContact CD2-CG 4.25Å
170	H	88.9	Confident	95.6	Very high	144 Å²	144	52.4 Å²	52.4	67%	0.667	27%	0.268	S	S	*	.	T	Hydrogen-bonded Turn	trans	-73.5	-32.7	-175.3	-77.9	74.1	0	0	0	113.2	H168 F202	H168-H170 PolarHBondContact O-N 3.49Å; H170-F202 AromaticContact CE1-CD2 3.44Å; H170-F202 VanDerWaalsContact CE1-CD2 3.44Å; H170-F202 WeakPolarHBondContact CE1-CD2 3.46Å; H170-F202 AromaticContact CE1-CG 3.75Å
171	S	93.1	Very high	95.5	Very high	68 Å²	68	54.2 Å²	54.2	48%	0.476	28%	0.275	S	S	.	.	T	Hydrogen-bonded Turn	trans	-96.9	-2.7	-176.8	55.3	0	0	0	0	113.4	H168 S173	H168-S171 WeakPolarHBondContact CB-OG 3.18Å; H168-S171 PolarHBondContact O-N 2.85Å; S171-S173 WeakPolarHBondContact CB-OG 3.07Å; S171-S173 WeakPolarHBondContact O-CB 3.45Å; S171-S173 PolarHBondContact O-N 2.87Å; S171-S173 VanDerWaalsContact O-N 3.16Å; S171-S173 PolarHBondContact OG-OG 3.43Å
172	D	93.7	Very high	95.5	Very high	87 Å²	87	54.1 Å²	54.1	47%	0.465	27%	0.274	S	S	.	.	T	Hydrogen-bonded Turn	trans	41.3	47.5	-170.1	-171.4	12	0	0	0	111.8	K122 Y167 H168	K122-D172 IonicContact NZ-OD1 3.92Å; K122-D172 PolarHBondContact NZ-OD1 3.41Å; K122-D172 IonicContact NZ-OD2 3.59Å; Y167-D172 VanDerWaalsContact CE2-OD1 3.24Å; Y167-D172 WeakPolarHBondContact CE2-OD1 3.16Å; Y167-D172 PolarHBondContact OH-OD1 2.81Å; H168-D172 PolarHBondContact O-N 2.8Å
173	S	95.2	Very high	95.4	Very high	52 Å²	52	56.1 Å²	56.1	36%	0.364	28%	0.279	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-144.2	164.6	-172.7	72.7	0	0	0	0	111.6	H168 S171	H168-S173 PolarHBondContact N-O 2.87Å; S171-S173 WeakPolarHBondContact CB-OG 3.07Å; S171-S173 WeakPolarHBondContact O-CB 3.45Å; S171-S173 PolarHBondContact O-N 2.87Å; S171-S173 VanDerWaalsContact O-N 3.16Å; S171-S173 PolarHBondContact OG-OG 3.43Å
174	Y	96.2	Very high	95.5	Very high	56 Å²	56	58.6 Å²	58.6	22%	0.22	31%	0.305	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-106	131.8	179.7	-73.6	-89.8	0	0	0	111.6	K122 P123 R165 V166 Y167	K122-Y174 WeakPolarHBondContact CA-OH 3.31Å; K122-Y174 WeakPolarHBondContact CB-OH 3.34Å; K122-Y174 HydrophobicContact CD-CE2 4.43Å; P123-Y174 WeakPolarHBondContact O-CE1 3.46Å; R165-Y174 HydrophobicContact CG-CD1 3.45Å; R165-Y174 VanDerWaalsContact CG-CD1 3.45Å; R165-Y174 HydrophobicContact CG-CE1 4.12Å; R165-Y174 HydrophobicContact CG-CG 4.01Å; R165-Y174 VanDerWaalsContact CZ-CD1 3.43Å; R165-Y174 VanDerWaalsContact CZ-CD2 3.43Å; R165-Y174 PolarHBondContact NH1-OH 2.83Å; V166-Y174 CarbonylContact O-C 3.12Å; V166-Y174 VanDerWaalsContact O-CA 3.3Å; V166-Y174 WeakPolarHBondContact O-CA 3.45Å; Y167-Y174 HydrophobicContact CD2-CD1 4.44Å; Y167-Y174 HydrophobicContact CD2-CD2 4.16Å; Y167-Y174 HydrophobicContact CD2-CE1 4.09Å; Y167-Y174 AromaticContact CD2-CE2 3.77Å; Y167-Y174 HydrophobicContact CD2-CE2 3.77Å; Y167-Y174 AromaticContact CD2-CZ 3.76Å; Y167-Y174 HydrophobicContact CE2-CE2 4.49Å; Y167-Y174 HydrophobicContact CG-CE1 4.28Å
175	E	95.9	Very high	95.4	Very high	64 Å²	64	59.1 Å²	59.1	30%	0.299	31%	0.308	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-91.6	135.8	161.9	-162.9	-173.5	144.3	0	0	109.1	R165 V166 H168 Q177 K196	R165-E175 CarbonylContact C-O 3.55Å; R165-E175 WeakPolarHBondContact CA-O 3.4Å; V166-E175 PolarHBondContact N-O 2.8Å; V166-E175 PolarHBondContact O-N 2.88Å; H168-E175 IonicContact CE1-OE2 2.8Å; H168-E175 PolarHBondContact CE1-OE2 2.72Å; H168-E175 IonicContact NE2-OE2 3.4Å; E175-Q177 PolarHBondContact OE1-NE2 3.34Å; E175-K196 WeakPolarHBondContact OE1-CE 3.26Å; E175-K196 IonicContact OE1-NZ 2.72Å; E175-K196 PolarHBondContact OE1-NZ 3.16Å; E175-K196 IonicContact OE2-NZ 2.83Å
176	T	96.5	Very high	95.4	Very high	92 Å²	92	59.2 Å²	59.2	56%	0.564	31%	0.314	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-122.6	143.5	178.1	60.3	0	0	0	0	111.2	M164 R165	M164-T176 CarbonylContact O-C 3.57Å; M164-T176 VanDerWaalsContact O-CA 3.3Å; M164-T176 WeakPolarHBondContact O-CA 3.37Å; R165-T176 HydrophobicContact CB-CG2 4.02Å; R165-T176 HydrophobicContact CG-CG2 3.87Å
177	Q	96.8	Very high	95.3	Very high	46 Å²	46	63.4 Å²	63.4	22%	0.215	33%	0.332	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-126.9	135.7	174	-59.7	-65.6	-19.6	0	0	108.4	G163 M164 E175 Y181	G163-Q177 CarbonylContact C-O 3.55Å; G163-Q177 WeakPolarHBondContact CA-O 3.4Å; M164-Q177 HydrophobicContact CG-CB 3.66Å; M164-Q177 HydrophobicContact CG-CG 3.96Å; M164-Q177 PolarHBondContact N-O 2.8Å; M164-Q177 PolarHBondContact O-N 3.07Å; M164-Q177 HydrophobicContact SD-CB 4.43Å; M164-Q177 HydrophobicContact SD-CG 4.22Å; E175-Q177 PolarHBondContact OE1-NE2 3.34Å; Q177-Y181 HydrophobicContact CB-CD1 3.9Å; Q177-Y181 HydrophobicContact CB-CD2 4.28Å; Q177-Y181 HydrophobicContact CB-CG 3.73Å; Q177-Y181 HydrophobicContact CG-CD1 4.28Å; Q177-Y181 HydrophobicContact CG-CD2 4.07Å; Q177-Y181 HydrophobicContact CG-CE2 4.37Å; Q177-Y181 HydrophobicContact CG-CG 4.02Å
178	N	94.3	Very high	95.3	Very high	93 Å²	93	70 Å²	70	50%	0.497	36%	0.363	S	S	.	.			trans	-101.3	-173.9	-176.7	67.9	33.4	0	0	0	111.7	L162 H180 Y181	L162-N178 CarbonylContact O-C 3.56Å; N178-H180 PolarHBondContact O-N 2.75Å; N178-H180 VanDerWaalsContact OD1-CB 3.29Å; N178-H180 WeakPolarHBondContact OD1-CB 3.31Å; N178-H180 PolarHBondContact OD1-CD2 2.71Å; N178-H180 PolarHBondContact OD1-N 2.85Å; N178-Y181 VanDerWaalsContact O-CB 3.32Å; N178-Y181 WeakPolarHBondContact O-CB 3.5Å; N178-Y181 PolarHBondContact O-N 3.17Å
179	Q	92.4	Very high	95.4	Very high	86 Å²	86	70.7 Å²	70.7	40%	0.402	37%	0.37	S	S	.	.	H	α-helix	trans	-54.8	-25.4	180	66.6	178	-0.5	0	0	115.3	L162 R183	L162-Q179 WeakPolarHBondContact O-CA 3.49Å; L162-Q179 PolarHBondContact O-N 2.8Å; Q179-R183 WeakPolarHBondContact O-CB 3.32Å; Q179-R183 WeakPolarHBondContact O-CD 3.28Å; Q179-R183 WeakPolarHBondContact O-CG 3.48Å; Q179-R183 PolarHBondContact O-N 2.68Å
180	H	96.2	Very high	95.7	Very high	121 Å²	121	68.7 Å²	68.7	56%	0.56	36%	0.36	S	S	*	.	H	α-helix	trans	-73.6	-32.5	-179.2	-62.8	-78.1	0	0	0	111.5	N178 G184	N178-H180 PolarHBondContact O-N 2.75Å; N178-H180 VanDerWaalsContact OD1-CB 3.29Å; N178-H180 WeakPolarHBondContact OD1-CB 3.31Å; N178-H180 PolarHBondContact OD1-CD2 2.71Å; N178-H180 PolarHBondContact OD1-N 2.85Å; H180-G184 PolarHBondContact O-N 3.41Å; H180-G184 VanDerWaalsContact O-N 3.09Å
181	Y	97.5	Very high	96.1	Very high	49 Å²	49	65.5 Å²	65.5	19%	0.192	34%	0.344	C	S	.	.	H	α-helix	trans	-58.5	-57.6	175	174	-98.4	0	0	0	110.9	M164 Q177 N178 R183 G184 L185 G193 K196	M164-Y181 HydrophobicContact CE-CD1 4.15Å; M164-Y181 HydrophobicContact CE-CE1 3.54Å; M164-Y181 HydrophobicContact SD-CE1 4.4Å; Q177-Y181 HydrophobicContact CB-CD1 3.9Å; Q177-Y181 HydrophobicContact CB-CD2 4.28Å; Q177-Y181 HydrophobicContact CB-CG 3.73Å; Q177-Y181 HydrophobicContact CG-CD1 4.28Å; Q177-Y181 HydrophobicContact CG-CD2 4.07Å; Q177-Y181 HydrophobicContact CG-CE2 4.37Å; Q177-Y181 HydrophobicContact CG-CG 4.02Å; N178-Y181 VanDerWaalsContact O-CB 3.32Å; N178-Y181 WeakPolarHBondContact O-CB 3.5Å; N178-Y181 PolarHBondContact O-N 3.17Å; Y181-R183 VanDerWaalsContact C-N 3.33Å; Y181-R183 PolarHBondContact O-N 3.18Å; Y181-G184 PolarHBondContact O-N 3.02Å; Y181-L185 HydrophobicContact CE1-CD1 4.14Å; Y181-L185 HydrophobicContact CE1-CD2 4.44Å; Y181-L185 PolarHBondContact O-N 3.21Å; Y181-G193 WeakPolarHBondContact OH-CA 3.33Å; Y181-G193 PolarHBondContact OH-O 2.67Å; Y181-K196 HydrophobicContact CE2-CD 4.3Å
182	G	97.2	Very high	96.3	Very high	0 Å²	0	69.4 Å²	69.4	0%	0	36%	0.355	C	S	.	.	H	α-helix	trans	-66.7	-33.1	-177.6	0	0	0	0	0	113.5	L160 V161 G184 L185	L160-G182 VanDerWaalsContact CD1-C 3.41Å; L160-G182 WeakPolarHBondContact CD1-O 3.25Å; V161-G182 WeakPolarHBondContact O-CA 3.49Å; G182-G184 PolarHBondContact O-N 2.92Å; G182-L185 WeakPolarHBondContact O-CB 3.37Å; G182-L185 PolarHBondContact O-N 2.98Å; G182-L185 VanDerWaalsContact O-N 3.15Å
183	R	96.9	Very high	96.5	Very high	69 Å²	69	65.4 Å²	65.4	26%	0.26	33%	0.333	S	S	.	.	H	α-helix	trans	-67.3	-21.2	173.5	-72.4	175.5	-173.8	167.8	15.3	113.4	K150 Y151 L160 Q179 Y181	K150-R183 WeakPolarHBondContact O-CD 3.44Å; K150-R183 VanDerWaalsContact O-CG 3.31Å; K150-R183 WeakPolarHBondContact O-CG 3.34Å; Y151-R183 HydrophobicContact CD2-CB 4.37Å; Y151-R183 HydrophobicContact CD2-CG 4.49Å; L160-R183 HydrophobicContact CD1-CG 4.19Å; L160-R183 HydrophobicContact CD2-CG 4.39Å; Q179-R183 WeakPolarHBondContact O-CB 3.32Å; Q179-R183 WeakPolarHBondContact O-CD 3.28Å; Q179-R183 WeakPolarHBondContact O-CG 3.48Å; Q179-R183 PolarHBondContact O-N 2.68Å; Y181-R183 VanDerWaalsContact C-N 3.33Å; Y181-R183 PolarHBondContact O-N 3.18Å
184	G	97.4	Very high	96.6	Very high	53 Å²	53	63 Å²	63	55%	0.546	32%	0.316	S	S	.	.	T	Hydrogen-bonded Turn	trans	-83.5	-11.6	173.9	0	0	0	0	0	114	H180 Y181 G182 T186	H180-G184 PolarHBondContact O-N 3.41Å; H180-G184 VanDerWaalsContact O-N 3.09Å; Y181-G184 PolarHBondContact O-N 3.02Å; G182-G184 PolarHBondContact O-N 2.92Å; G184-T186 PolarHBondContact O-N 2.9Å
185	L	97.6	Very high	96.7	Very high	12 Å²	12	61.7 Å²	61.7	6%	0.063	32%	0.316	C	S	.	.			trans	-73.6	128.8	179	-61.3	178.1	0	0	0	110.8	Y151 V161 Y181 G182 L190	Y151-L185 WeakPolarHBondContact CE2-O 3.42Å; Y151-L185 PolarHBondContact OH-O 3.49Å; V161-L185 HydrophobicContact CG2-CD1 4.19Å; Y181-L185 HydrophobicContact CE1-CD1 4.14Å; Y181-L185 HydrophobicContact CE1-CD2 4.44Å; Y181-L185 PolarHBondContact O-N 3.21Å; G182-L185 WeakPolarHBondContact O-CB 3.37Å; G182-L185 PolarHBondContact O-N 2.98Å; G182-L185 VanDerWaalsContact O-N 3.15Å; L185-L190 HydrophobicContact CB-CD1 4.3Å; L185-L190 HydrophobicContact CD1-CD1 4.36Å
186	T	97.2	Very high	96.8	Very high	48 Å²	48	61.9 Å²	61.9	29%	0.294	32%	0.316	S	S	.	.			trans	-104.6	176.9	173.5	71.7	0	0	0	0	110	L153 G184 E188 T189 L190	L153-T186 HydrophobicContact CD1-CG2 4.45Å; G184-T186 PolarHBondContact O-N 2.9Å; T186-E188 WeakPolarHBondContact CB-OE2 3.18Å; T186-E188 PolarHBondContact O-N 2.75Å; T186-E188 PolarHBondContact OG1-N 2.76Å; T186-E188 PolarHBondContact OG1-OE2 3.38Å; T186-T189 PolarHBondContact N-OG1 3.44Å; T186-T189 PolarHBondContact O-N 3.18Å; T186-T189 PolarHBondContact O-OG1 3.06Å; T186-T189 PolarHBondContact OG1-N 3.14Å; T186-T189 PolarHBondContact OG1-OG1 3.4Å; T186-T189 VanDerWaalsContact OG1-OG1 3.09Å; T186-L190 VanDerWaalsContact O-CB 3.3Å; T186-L190 WeakPolarHBondContact O-CB 3.41Å; T186-L190 PolarHBondContact O-N 2.92Å
187	K	95.4	Very high	96.9	Very high	92 Å²	92	57.5 Å²	57.5	40%	0.4	29%	0.289	S	S	.	.	T	Hydrogen-bonded Turn	trans	-57.8	-36.8	175.2	-76.3	-176.2	154.4	-172.5	0	113	E156 I157	E156-K187 HydrophobicContact CG-CD 4.5Å; E156-K187 VanDerWaalsContact CG-NZ 3.33Å; E156-K187 WeakPolarHBondContact OE1-CD 3.48Å; E156-K187 WeakPolarHBondContact OE1-CE 3.2Å; E156-K187 IonicContact OE1-NZ 2.85Å; E156-K187 PolarHBondContact OE1-NZ 3.21Å; I157-K187 HydrophobicContact CD1-CG 4.26Å; I157-K187 HydrophobicContact CG1-CG 4.02Å
188	E	97	Very high	96.9	Very high	153 Å²	153	55.3 Å²	55.3	72%	0.715	28%	0.278	S	S	*	.	T	Hydrogen-bonded Turn	trans	-73.4	-36.4	-177	-57.3	68.9	-144.9	0	0	111.5	T186	T186-E188 WeakPolarHBondContact CB-OE2 3.18Å; T186-E188 PolarHBondContact O-N 2.75Å; T186-E188 PolarHBondContact OG1-N 2.76Å; T186-E188 PolarHBondContact OG1-OE2 3.38Å
189	T	97.7	Very high	97	Very high	53 Å²	53	54.4 Å²	54.4	33%	0.325	27%	0.271	S	S	.	.	T	Hydrogen-bonded Turn	trans	-95.8	-6.6	-176.2	53.7	0	0	0	0	113.3	T186 K191 E192 G193	T186-T189 PolarHBondContact N-OG1 3.44Å; T186-T189 PolarHBondContact O-N 3.18Å; T186-T189 PolarHBondContact O-OG1 3.06Å; T186-T189 PolarHBondContact OG1-N 3.14Å; T186-T189 PolarHBondContact OG1-OG1 3.4Å; T186-T189 VanDerWaalsContact OG1-OG1 3.09Å; T189-K191 PolarHBondContact O-N 3.01Å; T189-E192 PolarHBondContact O-N 2.91Å; T189-G193 PolarHBondContact O-N 3.47Å
190	L	96.7	Very high	97	Very high	5 Å²	5	50.4 Å²	50.4	3%	0.026	25%	0.252	C	S	.	.	H	α-helix	trans	-58.4	-43.7	-174.2	-164.5	60.4	0	0	0	113	I157 F159 L185 T186 G193 V194 V389	I157-L190 HydrophobicContact CD1-CD2 4.48Å; I157-L190 HydrophobicContact CG1-CD2 4.45Å; I157-L190 HydrophobicContact CG2-CD1 4.29Å; I157-L190 HydrophobicContact CG2-CD2 3.69Å; F159-L190 HydrophobicContact CE1-CD2 4.03Å; F159-L190 HydrophobicContact CE2-CD1 3.77Å; F159-L190 HydrophobicContact CE2-CD2 4.34Å; F159-L190 HydrophobicContact CE2-CG 4.26Å; F159-L190 HydrophobicContact CZ-CD1 3.84Å; F159-L190 HydrophobicContact CZ-CD2 3.57Å; F159-L190 HydrophobicContact CZ-CG 3.82Å; L185-L190 HydrophobicContact CB-CD1 4.3Å; L185-L190 HydrophobicContact CD1-CD1 4.36Å; T186-L190 VanDerWaalsContact O-CB 3.3Å; T186-L190 WeakPolarHBondContact O-CB 3.41Å; T186-L190 PolarHBondContact O-N 2.92Å; L190-G193 PolarHBondContact O-N 3.4Å; L190-V194 WeakPolarHBondContact O-CG2 3.18Å; L190-V194 PolarHBondContact O-N 2.88Å; L190-V389 HydrophobicContact CD2-CG2 3.84Å; L190-V389 HydrophobicContact CG-CG2 4.25Å
191	K	97.8	Very high	96.8	Very high	77 Å²	77	46.4 Å²	46.4	34%	0.335	24%	0.244	S	C	.	.	H	α-helix	trans	-62.1	-50.5	179.8	176.5	179.4	171.1	169.3	0	111.4	T189 G193 S195 S392 I393 S396	T189-K191 PolarHBondContact O-N 3.01Å; K191-G193 VanDerWaalsContact C-N 3.29Å; K191-G193 PolarHBondContact O-N 2.6Å; K191-S195 WeakPolarHBondContact O-CB 3.39Å; K191-S195 PolarHBondContact O-N 2.97Å; K191-S392 WeakPolarHBondContact CD-OG 3.37Å; K191-S392 WeakPolarHBondContact CE-O 3.5Å; K191-S392 PolarHBondContact NZ-O 3.3Å; K191-I393 HydrophobicContact CG-CG1 3.95Å; K191-S396 WeakPolarHBondContact CE-OG 3.45Å; K191-S396 PolarHBondContact NZ-OG 3.2Å
192	E	97.1	Very high	96.4	Very high	150 Å²	150	50.9 Å²	50.9	70%	0.701	27%	0.265	S	S	*	.	H	α-helix	trans	-62	-42.2	177	-175.1	-179.2	175	0	0	110.7	T189 V194 S195 K196	T189-E192 PolarHBondContact O-N 2.91Å; E192-V194 PolarHBondContact O-N 3.45Å; E192-S195 WeakPolarHBondContact O-CB 3.35Å; E192-S195 PolarHBondContact O-N 3.48Å; E192-K196 PolarHBondContact O-N 3.12Å
193	G	97.4	Very high	96.2	Very high	2 Å²	2	52.2 Å²	52.2	2%	0.021	27%	0.274	C	S	.	.	H	α-helix	trans	-62	-43.7	-179.1	0	0	0	0	0	113.6	Y181 T189 L190 K191	Y181-G193 WeakPolarHBondContact OH-CA 3.33Å; Y181-G193 PolarHBondContact OH-O 2.67Å; T189-G193 PolarHBondContact O-N 3.47Å; L190-G193 PolarHBondContact O-N 3.4Å; K191-G193 VanDerWaalsContact C-N 3.29Å; K191-G193 PolarHBondContact O-N 2.6Å
194	V	98.4	Very high	96.1	Very high	1 Å²	1	50.6 Å²	50.6	1%	0.006	27%	0.27	C	S	.	.	H	α-helix	trans	-73.6	-37.1	174.8	176.1	0	0	0	0	111.1	F159 V161 L190 E192 K196 F197 F198 V389 L390 I393	F159-V194 HydrophobicContact CE2-CG2 4.19Å; V161-V194 HydrophobicContact CG2-CG2 4.45Å; L190-V194 WeakPolarHBondContact O-CG2 3.18Å; L190-V194 PolarHBondContact O-N 2.88Å; E192-V194 PolarHBondContact O-N 3.45Å; V194-K196 PolarHBondContact O-N 2.93Å; V194-F197 WeakPolarHBondContact O-CB 3.3Å; V194-F197 PolarHBondContact O-N 3.31Å; V194-F197 VanDerWaalsContact O-N 3.15Å; V194-F198 HydrophobicContact CG1-CE2 4.12Å; V194-F198 WeakPolarHBondContact O-CD2 3.39Å; V194-V389 HydrophobicContact CB-CG1 4.1Å; V194-V389 HydrophobicContact CG1-CG1 4.4Å; V194-V389 HydrophobicContact CG2-CG1 4.13Å; V194-L390 HydrophobicContact CG1-CD2 3.9Å; V194-I393 HydrophobicContact CB-CD1 3.99Å; V194-I393 HydrophobicContact CG1-CD1 3.74Å
195	S	98	Very high	96	Very high	29 Å²	29	48.2 Å²	48.2	20%	0.203	25%	0.245	C	C	.	.	H	α-helix	trans	-58.8	-35.7	177.3	-173.5	0	0	0	0	112.4	K191 E192 F197 F198 H199	K191-S195 WeakPolarHBondContact O-CB 3.39Å; K191-S195 PolarHBondContact O-N 2.97Å; E192-S195 WeakPolarHBondContact O-CB 3.35Å; E192-S195 PolarHBondContact O-N 3.48Å; S195-F197 PolarHBondContact O-N 2.87Å; S195-F198 PolarHBondContact O-N 2.83Å; S195-H199 PolarHBondContact O-N 2.82Å
196	K	97.6	Very high	95.9	Very high	69 Å²	69	51.9 Å²	51.9	30%	0.3	26%	0.26	S	S	.	.	H	α-helix	trans	-53.7	-36.7	176.5	-172.7	168.8	-174.8	170.3	0	113.1	E175 Y181 E192 V194 F198 H199	E175-K196 WeakPolarHBondContact OE1-CE 3.26Å; E175-K196 IonicContact OE1-NZ 2.72Å; E175-K196 PolarHBondContact OE1-NZ 3.16Å; E175-K196 IonicContact OE2-NZ 2.83Å; Y181-K196 HydrophobicContact CE2-CD 4.3Å; E192-K196 PolarHBondContact O-N 3.12Å; V194-K196 PolarHBondContact O-N 2.93Å; K196-F198 PolarHBondContact O-N 3.36Å; K196-H199 PolarHBondContact O-N 3.41Å
197	F	98.2	Very high	95.8	Very high	0 Å²	0	52.3 Å²	52.3	0%	0	26%	0.26	C	S	.	.	H	α-helix	trans	-60.1	-33	176.8	173.4	-119	0	0	0	112.8	C124 I125 M126 M164 V166 V194 S195 F238 Y240	C124-F197 HydrophobicContact CB-CE2 3.97Å; C124-F197 HydrophobicContact CB-CZ 4.34Å; I125-F197 WeakPolarHBondContact O-CE2 3.19Å; M126-F197 HydrophobicContact CB-CD1 3.98Å; M126-F197 HydrophobicContact CB-CD2 3.49Å; M126-F197 VanDerWaalsContact CB-CD2 3.49Å; M126-F197 HydrophobicContact CB-CE1 3.97Å; M126-F197 HydrophobicContact CB-CE2 3.51Å; M126-F197 HydrophobicContact CB-CG 3.74Å; M126-F197 HydrophobicContact CB-CZ 3.74Å; M126-F197 HydrophobicContact CE-CB 4.27Å; M126-F197 HydrophobicContact CE-CD1 3.49Å; M126-F197 VanDerWaalsContact CE-CD1 3.49Å; M126-F197 HydrophobicContact CE-CE1 4.02Å; M126-F197 HydrophobicContact CE-CG 3.94Å; M126-F197 HydrophobicContact CG-CD2 4.44Å; M126-F197 HydrophobicContact CG-CG 4.35Å; M126-F197 HydrophobicContact SD-CB 3.76Å; M126-F197 HydrophobicContact SD-CD1 4.01Å; M126-F197 HydrophobicContact SD-CD2 4.43Å; M126-F197 HydrophobicContact SD-CG 3.8Å; M164-F197 HydrophobicContact CB-CD2 4.12Å; M164-F197 HydrophobicContact CE-CB 4.1Å; M164-F197 HydrophobicContact SD-CB 4Å; V166-F197 HydrophobicContact CG2-CD2 3.92Å; V194-F197 WeakPolarHBondContact O-CB 3.3Å; V194-F197 PolarHBondContact O-N 3.31Å; V194-F197 VanDerWaalsContact O-N 3.15Å; S195-F197 PolarHBondContact O-N 2.87Å; F197-F238 HydrophobicContact CE1-CB 3.72Å; F197-F238 HydrophobicContact CZ-CB 3.96Å; F197-Y240 HydrophobicContact CD1-CE1 4.2Å; F197-Y240 HydrophobicContact CD2-CE1 4.38Å; F197-Y240 AromaticContact CE1-CD1 3.73Å; F197-Y240 HydrophobicContact CE1-CD1 3.73Å; F197-Y240 AromaticContact CE1-CE1 3.7Å; F197-Y240 HydrophobicContact CE1-CE1 3.7Å; F197-Y240 HydrophobicContact CE2-CD1 4.29Å; F197-Y240 AromaticContact CE2-CE1 3.88Å; F197-Y240 HydrophobicContact CE2-CE1 3.88Å; F197-Y240 AromaticContact CZ-CD1 3.54Å; F197-Y240 HydrophobicContact CZ-CD1 3.54Å; F197-Y240 AromaticContact CZ-CE1 3.53Å; F197-Y240 HydrophobicContact CZ-CE1 3.53Å; F197-Y240 WeakPolarHBondContact O-CE1 3.31Å; F197-Y240 PolarHBondContact O-OH 3.47Å
198	F	97.3	Very high	95.8	Very high	0 Å²	0	48 Å²	48	0%	0	24%	0.242	C	C	.	.	T	Hydrogen-bonded Turn	trans	-96.6	3.2	-175.8	-61.1	-78.3	0	0	0	113.3	V194 S195 K196 L204 R205 A208 V209 Y240 L390	V194-F198 HydrophobicContact CG1-CE2 4.12Å; V194-F198 WeakPolarHBondContact O-CD2 3.39Å; S195-F198 PolarHBondContact O-N 2.83Å; K196-F198 PolarHBondContact O-N 3.36Å; F198-L204 HydrophobicContact CB-CD1 3.7Å; F198-R205 WeakPolarHBondContact O-CB 3.42Å; F198-R205 PolarHBondContact O-N 2.88Å; F198-A208 HydrophobicContact CD1-CB 3.97Å; F198-A208 HydrophobicContact CE1-CB 4.27Å; F198-V209 HydrophobicContact CB-CG2 3.8Å; F198-V209 HydrophobicContact CD1-CG2 3.62Å; F198-V209 HydrophobicContact CD2-CG2 3.66Å; F198-V209 HydrophobicContact CE1-CG2 4.03Å; F198-V209 HydrophobicContact CE2-CG2 4.06Å; F198-V209 HydrophobicContact CG-CG2 3.4Å; F198-V209 VanDerWaalsContact CG-CG2 3.4Å; F198-V209 HydrophobicContact CZ-CG2 4.23Å; F198-Y240 HydrophobicContact CD1-CD1 4.38Å; F198-Y240 HydrophobicContact CD1-CE1 4.07Å; F198-L390 HydrophobicContact CE2-CD2 3.5Å; F198-L390 HydrophobicContact CZ-CD2 3.77Å
199	H	95.8	Very high	95.9	Very high	74 Å²	74	40.7 Å²	40.7	34%	0.343	21%	0.208	S	C	.	.	B	Isolated β-bridge	trans	-100.3	112.1	-177.8	-165.3	-78.2	0	0	0	111	S195 K196 G201	S195-H199 PolarHBondContact O-N 2.82Å; K196-H199 PolarHBondContact O-N 3.41Å; H199-G201 PolarHBondContact ND1-N 3.45Å; H199-G201 PolarHBondContact O-N 2.97Å; H199-G201 VanDerWaalsContact O-N 3.1Å
200	N	93.5	Very high	95.8	Very high	1 Å²	1	39.9 Å²	39.9	1%	0.005	21%	0.206	C	C	.	.			trans	-85.2	24.4	-173.8	69.5	-1.2	0	0	0	114.4	H168 L169 F202 C203	H168-N200 WeakPolarHBondContact CA-O 3.21Å; L169-N200 PolarHBondContact N-O 2.62Å; N200-F202 PolarHBondContact O-N 3.12Å; N200-F202 PolarHBondContact OD1-N 3.49Å; N200-F202 VanDerWaalsContact OD1-N 3.08Å; N200-C203 PolarHBondContact N-O 2.81Å; N200-C203 VanDerWaalsContact N-O 3.17Å; N200-C203 PolarHBondContact OD1-N 3.25Å; N200-C203 PolarHBondContact OD1-O 2.9Å
201	G	91.5	Very high	95.8	Very high	38 Å²	38	40 Å²	40	39%	0.392	21%	0.209	S	C	.	.	S	Bend	trans	77.6	-9.8	-172.1	0	0	0	0	0	115.6	H199	H199-G201 PolarHBondContact ND1-N 3.45Å; H199-G201 PolarHBondContact O-N 2.97Å; H199-G201 VanDerWaalsContact O-N 3.1Å
202	F	89.4	Confident	95.9	Very high	142 Å²	142	36.5 Å²	36.5	62%	0.623	19%	0.193	S	C	*	.	S	Bend	trans	-122.8	-45.6	178	179.1	-106.9	0	0	0	112.8	H170 N200	H170-F202 AromaticContact CE1-CD2 3.44Å; H170-F202 VanDerWaalsContact CE1-CD2 3.44Å; H170-F202 WeakPolarHBondContact CE1-CD2 3.46Å; H170-F202 AromaticContact CE1-CG 3.75Å; N200-F202 PolarHBondContact O-N 3.12Å; N200-F202 PolarHBondContact OD1-N 3.49Å; N200-F202 VanDerWaalsContact OD1-N 3.08Å
203	C	93.1	Very high	95.9	Very high	28 Å²	28	29.9 Å²	29.9	19%	0.189	16%	0.163	C	C	.	.	S	Bend	trans	-144.9	157.7	-177	65.6	0	0	0	0	111.1	N200	N200-C203 PolarHBondContact N-O 2.81Å; N200-C203 VanDerWaalsContact N-O 3.17Å; N200-C203 PolarHBondContact OD1-N 3.25Å; N200-C203 PolarHBondContact OD1-O 2.9Å
204	L	95.1	Very high	95.9	Very high	36 Å²	36	35.2 Å²	35.2	19%	0.188	19%	0.187	C	C	.	.	B	Isolated β-bridge	trans	-75.7	122.9	168.6	-178.3	66.5	0	0	0	110	F198 K206 I393	F198-L204 HydrophobicContact CB-CD1 3.7Å; L204-K206 HydrophobicContact CD2-CG 4.04Å; L204-K206 HydrophobicContact CG-CG 4.18Å; L204-K206 PolarHBondContact O-N 2.86Å; L204-I393 HydrophobicContact CD1-CG2 4.05Å; L204-I393 HydrophobicContact CD2-CG2 3.71Å; L204-I393 HydrophobicContact CG-CG2 4.39Å
205	R	95	Very high	95.9	Very high	2 Å²	2	38.1 Å²	38.1	1%	0.008	20%	0.2	C	C	.	.			trans	-76.6	70.6	176	-68.7	-66.1	-57.5	-73.1	-11.1	111.3	F198 D207 A208 V209 Y240 E241 S244	F198-R205 WeakPolarHBondContact O-CB 3.42Å; F198-R205 PolarHBondContact O-N 2.88Å; R205-D207 VanDerWaalsContact C-OD1 3.26Å; R205-D207 WeakPolarHBondContact CA-OD1 3.27Å; R205-D207 IonicContact CZ-OD1 3.73Å; R205-D207 IonicContact CZ-OD2 2.88Å; R205-D207 IonicContact NE-OD1 3.47Å; R205-D207 PolarHBondContact NE-OD1 2.73Å; R205-D207 IonicContact NE-OD2 3.73Å; R205-D207 PolarHBondContact NE-OD2 2.7Å; R205-D207 IonicContact NH2-OD1 2.73Å; R205-D207 IonicContact NH2-OD2 3.31Å; R205-D207 PolarHBondContact NH2-OD2 3.24Å; R205-D207 PolarHBondContact O-N 3.17Å; R205-A208 HydrophobicContact CB-CB 3.96Å; R205-A208 WeakPolarHBondContact O-CB 3.21Å; R205-A208 PolarHBondContact O-N 3.35Å; R205-V209 PolarHBondContact O-N 2.57Å; R205-Y240 HydrophobicContact CB-CE2 4.43Å; R205-Y240 HydrophobicContact CG-CE2 4.19Å; R205-E241 PolarHBondContact NH1-O 3.42Å; R205-S244 PolarHBondContact NH1-O 3.29Å; R205-S244 VanDerWaalsContact NH1-O 3.07Å
206	K	95	Very high	96	Very high	90 Å²	90	36.7 Å²	36.7	39%	0.391	19%	0.19	S	C	.	.	H	α-helix	trans	-57	-30.7	178.2	-68.4	-165	176.7	-161.4	0	112.7	L204 V209 A210 L394 S396	L204-K206 HydrophobicContact CD2-CG 4.04Å; L204-K206 HydrophobicContact CG-CG 4.18Å; L204-K206 PolarHBondContact O-N 2.86Å; K206-V209 PolarHBondContact O-N 3.26Å; K206-A210 WeakPolarHBondContact O-CB 3.39Å; K206-A210 PolarHBondContact O-N 2.84Å; K206-L394 HydrophobicContact CB-CD2 3.9Å; K206-L394 HydrophobicContact CG-CD2 4.24Å; K206-L394 PolarHBondContact NZ-O 3.32Å; K206-L394 WeakPolarHBondContact O-CD2 3.36Å; K206-S396 WeakPolarHBondContact CE-OXT 3.3Å; K206-S396 PolarHBondContact NZ-OXT 3.49Å
207	D	95	Very high	96	Very high	56 Å²	56	36 Å²	36	30%	0.299	19%	0.188	S	C	.	.	H	α-helix	trans	-61.1	-45.8	173	62.5	-53.6	0	0	0	112	R205 A210 A211 A357	R205-D207 VanDerWaalsContact C-OD1 3.26Å; R205-D207 WeakPolarHBondContact CA-OD1 3.27Å; R205-D207 IonicContact CZ-OD1 3.73Å; R205-D207 IonicContact CZ-OD2 2.88Å; R205-D207 IonicContact NE-OD1 3.47Å; R205-D207 PolarHBondContact NE-OD1 2.73Å; R205-D207 IonicContact NE-OD2 3.73Å; R205-D207 PolarHBondContact NE-OD2 2.7Å; R205-D207 IonicContact NH2-OD1 2.73Å; R205-D207 IonicContact NH2-OD2 3.31Å; R205-D207 PolarHBondContact NH2-OD2 3.24Å; R205-D207 PolarHBondContact O-N 3.17Å; D207-A210 PolarHBondContact O-N 3.39Å; D207-A211 WeakPolarHBondContact O-CB 3.47Å; D207-A211 PolarHBondContact O-N 2.79Å; D207-A357 HydrophobicContact CB-CB 3.7Å; D207-A357 WeakPolarHBondContact OD2-CB 3.47Å
208	A	96.2	Very high	96	Very high	1 Å²	1	41.5 Å²	41.5	1%	0.008	21%	0.212	C	C	.	.	H	α-helix	trans	-68.3	-36.1	175.6	0	0	0	0	0	112.1	F198 R205 S212 Y240	F198-A208 HydrophobicContact CD1-CB 3.97Å; F198-A208 HydrophobicContact CE1-CB 4.27Å; R205-A208 HydrophobicContact CB-CB 3.96Å; R205-A208 WeakPolarHBondContact O-CB 3.21Å; R205-A208 PolarHBondContact O-N 3.35Å; A208-S212 VanDerWaalsContact O-CB 3.25Å; A208-S212 WeakPolarHBondContact O-CB 3.18Å; A208-S212 PolarHBondContact O-N 2.75Å; A208-S212 PolarHBondContact O-OG 3.06Å; A208-Y240 HydrophobicContact CB-CD1 4.16Å; A208-Y240 HydrophobicContact CB-CD2 3.91Å; A208-Y240 HydrophobicContact CB-CE2 4.43Å; A208-Y240 HydrophobicContact CB-CG 3.78Å
209	V	97.4	Very high	96.1	Very high	0 Å²	0	41.6 Å²	41.6	0%	0	21%	0.212	C	C	.	.	H	α-helix	trans	-61.7	-50.2	173.5	178.6	0	0	0	0	110.5	F198 R205 K206 A211 S212 I213 L390 I393 L394	F198-V209 HydrophobicContact CB-CG2 3.8Å; F198-V209 HydrophobicContact CD1-CG2 3.62Å; F198-V209 HydrophobicContact CD2-CG2 3.66Å; F198-V209 HydrophobicContact CE1-CG2 4.03Å; F198-V209 HydrophobicContact CE2-CG2 4.06Å; F198-V209 HydrophobicContact CG-CG2 3.4Å; F198-V209 VanDerWaalsContact CG-CG2 3.4Å; F198-V209 HydrophobicContact CZ-CG2 4.23Å; R205-V209 PolarHBondContact O-N 2.57Å; K206-V209 PolarHBondContact O-N 3.26Å; V209-A211 PolarHBondContact O-N 3.32Å; V209-S212 WeakPolarHBondContact O-CB 3.34Å; V209-S212 PolarHBondContact O-N 3.5Å; V209-I213 HydrophobicContact CG1-CD1 4.04Å; V209-I213 WeakPolarHBondContact O-CG1 3.47Å; V209-I213 PolarHBondContact O-N 2.91Å; V209-L390 HydrophobicContact CG1-CB 4.35Å; V209-L390 HydrophobicContact CG1-CD2 4.41Å; V209-L390 WeakPolarHBondContact CG1-O 3.37Å; V209-I393 HydrophobicContact CG1-CG2 4.4Å; V209-I393 HydrophobicContact CG2-CG2 4.05Å; V209-L394 HydrophobicContact CB-CD2 3.73Å; V209-L394 HydrophobicContact CB-CG 4.36Å; V209-L394 HydrophobicContact CG1-CD1 4.37Å; V209-L394 HydrophobicContact CG1-CD2 3.63Å; V209-L394 HydrophobicContact CG1-CG 3.68Å
210	A	97	Very high	96.3	Very high	36 Å²	36	38.9 Å²	38.9	30%	0.298	20%	0.2	S	C	.	.	H	α-helix	trans	-61.5	-44.9	179.5	0	0	0	0	0	112.2	K206 D207 S212 I213 Q214 L394	K206-A210 WeakPolarHBondContact O-CB 3.39Å; K206-A210 PolarHBondContact O-N 2.84Å; D207-A210 PolarHBondContact O-N 3.39Å; A210-S212 VanDerWaalsContact C-N 3.31Å; A210-S212 PolarHBondContact O-N 3.22Å; A210-I213 PolarHBondContact O-N 3.07Å; A210-Q214 WeakPolarHBondContact O-CG 3.29Å; A210-Q214 PolarHBondContact O-N 2.92Å; A210-L394 HydrophobicContact CB-CD1 4.39Å
211	A	97	Very high	96.5	Very high	9 Å²	9	43.1 Å²	43.1	7%	0.074	22%	0.22	C	C	.	.	H	α-helix	trans	-62.7	-38.5	175.8	0	0	0	0	0	112	D207 V209 Q214 K215 A359	D207-A211 WeakPolarHBondContact O-CB 3.47Å; D207-A211 PolarHBondContact O-N 2.79Å; V209-A211 PolarHBondContact O-N 3.32Å; A211-Q214 PolarHBondContact O-N 2.92Å; A211-K215 PolarHBondContact O-N 2.83Å; A211-A359 HydrophobicContact CB-CB 3.72Å
212	S	98.1	Very high	96.8	Very high	2 Å²	2	41.9 Å²	41.9	1%	0.014	20%	0.204	C	C	.	.	H	α-helix	trans	-63.4	-46.2	175.7	-63.8	0	0	0	0	111.8	A208 V209 A210 Q214 K215 V216	A208-S212 VanDerWaalsContact O-CB 3.25Å; A208-S212 WeakPolarHBondContact O-CB 3.18Å; A208-S212 PolarHBondContact O-N 2.75Å; A208-S212 PolarHBondContact O-OG 3.06Å; V209-S212 WeakPolarHBondContact O-CB 3.34Å; V209-S212 PolarHBondContact O-N 3.5Å; A210-S212 VanDerWaalsContact C-N 3.31Å; A210-S212 PolarHBondContact O-N 3.22Å; S212-Q214 VanDerWaalsContact C-N 3.33Å; S212-Q214 PolarHBondContact O-N 2.9Å; S212-K215 PolarHBondContact O-N 2.98Å; S212-V216 VanDerWaalsContact O-CG2 3.27Å; S212-V216 WeakPolarHBondContact O-CG2 3.44Å; S212-V216 PolarHBondContact O-N 3.29Å
213	I	98.3	Very high	97.3	Very high	11 Å²	11	35.1 Å²	35.1	6%	0.056	17%	0.174	C	C	.	.	H	α-helix	trans	-55.2	-49.4	176.9	-70.4	163.1	0	0	0	110.6	V209 A210 K215 V216 E217 I387 L390 R391 L394	V209-I213 HydrophobicContact CG1-CD1 4.04Å; V209-I213 WeakPolarHBondContact O-CG1 3.47Å; V209-I213 PolarHBondContact O-N 2.91Å; A210-I213 PolarHBondContact O-N 3.07Å; I213-K215 VanDerWaalsContact C-N 3.27Å; I213-K215 PolarHBondContact O-N 2.94Å; I213-V216 PolarHBondContact O-N 3.09Å; I213-E217 HydrophobicContact CG2-CG 4.2Å; I213-E217 VanDerWaalsContact CG2-OE1 3.29Å; I213-E217 WeakPolarHBondContact CG2-OE1 3.45Å; I213-E217 WeakPolarHBondContact O-CB 3.42Å; I213-E217 VanDerWaalsContact O-CG 3.32Å; I213-E217 WeakPolarHBondContact O-CG 3.43Å; I213-E217 PolarHBondContact O-N 3.46Å; I213-I387 HydrophobicContact CG2-CG2 4.39Å; I213-L390 HydrophobicContact CD1-CB 3.87Å; I213-L390 HydrophobicContact CG1-CB 3.52Å; I213-L390 HydrophobicContact CG1-CD1 4.08Å; I213-L390 HydrophobicContact CG1-CG 4.42Å; I213-R391 HydrophobicContact CD1-CG 3.9Å; I213-L394 HydrophobicContact CD1-CD1 3.58Å; I213-L394 HydrophobicContact CD1-CG 4.25Å
214	Q	97.8	Very high	97.5	Very high	114 Å²	114	37.9 Å²	37.9	53%	0.533	18%	0.184	S	C	.	.	H	α-helix	trans	-57.1	-40.9	-179.9	-70.3	177.4	-5.3	0	0	112.2	A210 A211 S212 K218	A210-Q214 WeakPolarHBondContact O-CG 3.29Å; A210-Q214 PolarHBondContact O-N 2.92Å; A211-Q214 PolarHBondContact O-N 2.92Å; S212-Q214 VanDerWaalsContact C-N 3.33Å; S212-Q214 PolarHBondContact O-N 2.9Å; Q214-K218 WeakPolarHBondContact O-CG 3.37Å; Q214-K218 PolarHBondContact O-N 3.03Å
215	K	98.4	Very high	97.7	Very high	62 Å²	62	42.6 Å²	42.6	27%	0.27	21%	0.209	S	C	.	.	H	α-helix	trans	-71.8	-41.1	178.5	-66.3	-167.5	178.6	-137.5	0	112.6	A211 S212 I213 E217 K218 I219 A359 E360 V361	A211-K215 PolarHBondContact O-N 2.83Å; S212-K215 PolarHBondContact O-N 2.98Å; I213-K215 VanDerWaalsContact C-N 3.27Å; I213-K215 PolarHBondContact O-N 2.94Å; K215-E217 VanDerWaalsContact C-N 3.3Å; K215-E217 PolarHBondContact O-N 2.99Å; K215-K218 PolarHBondContact O-N 3.22Å; K215-I219 PolarHBondContact O-N 2.89Å; K215-I219 VanDerWaalsContact O-N 3.15Å; K215-A359 WeakPolarHBondContact CE-O 3.35Å; K215-A359 PolarHBondContact NZ-O 3.45Å; K215-E360 IonicContact NZ-OE1 3.6Å; K215-E360 PolarHBondContact NZ-OE1 3.31Å; K215-E360 VanDerWaalsContact NZ-OE1 3.12Å; K215-E360 IonicContact NZ-OE2 2.73Å; K215-E360 PolarHBondContact NZ-OE2 3.4Å; K215-V361 HydrophobicContact CB-CB 3.76Å; K215-V361 HydrophobicContact CB-CG2 3.81Å; K215-V361 HydrophobicContact CD-CB 4.23Å; K215-V361 HydrophobicContact CD-CG2 4.2Å
216	V	98.7	Very high	97.8	Very high	0 Å²	0	42.7 Å²	42.7	0%	0	21%	0.21	C	C	.	.	H	α-helix	trans	-64.6	-37.1	176.6	-177.6	0	0	0	0	110.8	S212 I213 K218 I219 L220 L236 F238 V361 L383 I387	S212-V216 VanDerWaalsContact O-CG2 3.27Å; S212-V216 WeakPolarHBondContact O-CG2 3.44Å; S212-V216 PolarHBondContact O-N 3.29Å; I213-V216 PolarHBondContact O-N 3.09Å; V216-K218 VanDerWaalsContact C-N 3.34Å; V216-K218 PolarHBondContact O-N 2.67Å; V216-I219 PolarHBondContact O-N 3.15Å; V216-L220 WeakPolarHBondContact O-CB 3.27Å; V216-L220 PolarHBondContact O-N 3.29Å; V216-L236 HydrophobicContact CG1-CD1 4.34Å; V216-L236 HydrophobicContact CG2-CD1 4.2Å; V216-F238 HydrophobicContact CG2-CE1 3.7Å; V216-F238 HydrophobicContact CG2-CZ 3.66Å; V216-V361 HydrophobicContact CG2-CG1 4.07Å; V216-L383 HydrophobicContact CG1-CD2 3.9Å; V216-I387 HydrophobicContact CB-CD1 4.47Å; V216-I387 HydrophobicContact CB-CG1 4.1Å; V216-I387 HydrophobicContact CG1-CD1 3.88Å; V216-I387 HydrophobicContact CG1-CG1 3.6Å
217	E	98.7	Very high	98	Very high	55 Å²	55	44.7 Å²	44.7	26%	0.257	22%	0.219	S	C	.	.	H	α-helix	trans	-62	-37.8	173.9	-75.8	173	175.2	0	0	112.6	I213 K215 L220 Q221 I387 R391	I213-E217 HydrophobicContact CG2-CG 4.2Å; I213-E217 VanDerWaalsContact CG2-OE1 3.29Å; I213-E217 WeakPolarHBondContact CG2-OE1 3.45Å; I213-E217 WeakPolarHBondContact O-CB 3.42Å; I213-E217 VanDerWaalsContact O-CG 3.32Å; I213-E217 WeakPolarHBondContact O-CG 3.43Å; I213-E217 PolarHBondContact O-N 3.46Å; K215-E217 VanDerWaalsContact C-N 3.3Å; K215-E217 PolarHBondContact O-N 2.99Å; E217-L220 PolarHBondContact O-N 3.46Å; E217-Q221 VanDerWaalsContact O-CG 3.28Å; E217-Q221 WeakPolarHBondContact O-CG 3.4Å; E217-Q221 PolarHBondContact O-N 2.92Å; E217-I387 HydrophobicContact CG-CD1 3.88Å; E217-I387 HydrophobicContact CG-CG1 4.49Å; E217-R391 IonicContact OE1-CZ 2.81Å; E217-R391 IonicContact OE1-NE 3.24Å; E217-R391 IonicContact OE1-NH2 2.7Å; E217-R391 PolarHBondContact OE1-NH2 3.09Å
218	K	98.6	Very high	98.1	Very high	115 Å²	115	44.5 Å²	44.5	50%	0.5	22%	0.216	S	C	.	.	H	α-helix	trans	-66	-40.9	173.9	-64.5	-50.2	-175.1	-177.3	0	112.5	Q214 K215 V216 L220 Q221 W222	Q214-K218 WeakPolarHBondContact O-CG 3.37Å; Q214-K218 PolarHBondContact O-N 3.03Å; K215-K218 PolarHBondContact O-N 3.22Å; V216-K218 VanDerWaalsContact C-N 3.34Å; V216-K218 PolarHBondContact O-N 2.67Å; K218-L220 VanDerWaalsContact C-N 3.35Å; K218-Q221 PolarHBondContact O-N 3.48Å; K218-W222 PolarHBondContact O-N 2.85Å
219	I	98.8	Very high	98.3	Very high	1 Å²	1	44.8 Å²	44.8	1%	0.005	22%	0.217	C	C	.	.	H	α-helix	trans	-63.2	-44.6	174.5	-64.7	169.4	0	0	0	110	H92 K215 V216 Q221 W222 F223 L236 V361 M363 L383	H92-I219 HydrophobicContact CB-CG1 4.05Å; K215-I219 PolarHBondContact O-N 2.89Å; K215-I219 VanDerWaalsContact O-N 3.15Å; V216-I219 PolarHBondContact O-N 3.15Å; I219-Q221 VanDerWaalsContact C-N 3.35Å; I219-Q221 PolarHBondContact O-N 3.34Å; I219-W222 WeakPolarHBondContact O-CB 3.4Å; I219-W222 PolarHBondContact O-N 3.33Å; I219-W222 VanDerWaalsContact O-N 3.13Å; I219-F223 HydrophobicContact CG2-CD2 3.83Å; I219-F223 HydrophobicContact CG2-CE2 3.86Å; I219-F223 WeakPolarHBondContact O-CD2 3.49Å; I219-F223 PolarHBondContact O-N 2.88Å; I219-L236 HydrophobicContact CD1-CD2 3.7Å; I219-L236 HydrophobicContact CG2-CD2 4.5Å; I219-V361 HydrophobicContact CD1-CG1 4.05Å; I219-M363 HydrophobicContact CD1-CG 4.18Å; I219-M363 HydrophobicContact CG2-CG 4.14Å; I219-M363 HydrophobicContact CG2-SD 3.79Å; I219-L383 HydrophobicContact CG2-CD1 4.03Å; I219-L383 HydrophobicContact CG2-CD2 4.44Å
220	L	98.8	Very high	98.3	Very high	18 Å²	18	45.6 Å²	45.6	9%	0.094	22%	0.221	C	C	.	.	H	α-helix	trans	-57.9	-46.6	175.3	174	61.5	0	0	0	111.6	V216 E217 K218 W222 F223 E224 V380 L383 K384 I387	V216-L220 WeakPolarHBondContact O-CB 3.27Å; V216-L220 PolarHBondContact O-N 3.29Å; E217-L220 PolarHBondContact O-N 3.46Å; K218-L220 VanDerWaalsContact C-N 3.35Å; L220-W222 VanDerWaalsContact C-N 3.26Å; L220-W222 PolarHBondContact O-N 3.34Å; L220-F223 PolarHBondContact O-N 2.9Å; L220-F223 VanDerWaalsContact O-N 3.12Å; L220-E224 HydrophobicContact CD1-CG 3.94Å; L220-E224 HydrophobicContact CG-CG 4.38Å; L220-E224 WeakPolarHBondContact O-CG 3.28Å; L220-E224 PolarHBondContact O-N 3.21Å; L220-V380 HydrophobicContact CD1-CB 4.45Å; L220-V380 HydrophobicContact CD1-CG1 3.96Å; L220-V380 HydrophobicContact CD1-CG2 4.45Å; L220-L383 HydrophobicContact CB-CB 4.36Å; L220-L383 HydrophobicContact CB-CD1 3.98Å; L220-L383 HydrophobicContact CD1-CB 4.12Å; L220-L383 HydrophobicContact CD1-CD1 4.15Å; L220-K384 HydrophobicContact CD1-CG 4.15Å; L220-K384 HydrophobicContact CD2-CG 3.86Å; L220-I387 HydrophobicContact CB-CD1 4.37Å; L220-I387 HydrophobicContact CD2-CD1 3.74Å
221	Q	98.7	Very high	98.4	Very high	90 Å²	90	44 Å²	44	42%	0.421	21%	0.208	S	C	.	.	H	α-helix	trans	-57.3	-40.6	175.8	-75.7	172.7	-3.1	0	0	111.7	E217 K218 I219 N225	E217-Q221 VanDerWaalsContact O-CG 3.28Å; E217-Q221 WeakPolarHBondContact O-CG 3.4Å; E217-Q221 PolarHBondContact O-N 2.92Å; K218-Q221 PolarHBondContact O-N 3.48Å; I219-Q221 VanDerWaalsContact C-N 3.35Å; I219-Q221 PolarHBondContact O-N 3.34Å; Q221-N225 WeakPolarHBondContact O-CB 3.47Å; Q221-N225 PolarHBondContact O-N 2.81Å; Q221-N225 PolarHBondContact O-ND2 2.72Å
222	W	98.7	Very high	98.4	Very high	12 Å²	12	45.3 Å²	45.3	5%	0.045	21%	0.211	C	C	.	.	H	α-helix	trans	-62.4	-46.5	174.9	-178.6	88.5	0	0	0	111.9	V85 L89 K218 I219 L220 E224 N225 Q226 L229 F231	V85-W222 HydrophobicContact CG1-CZ2 3.73Å; V85-W222 PolarHBondContact O-NE1 3.27Å; L89-W222 HydrophobicContact CB-CZ2 3.72Å; L89-W222 HydrophobicContact CD1-CD2 3.97Å; L89-W222 HydrophobicContact CD1-CE3 4.07Å; L89-W222 HydrophobicContact CD1-CH2 3.81Å; L89-W222 HydrophobicContact CD1-CZ2 3.69Å; L89-W222 HydrophobicContact CD1-CZ3 4Å; L89-W222 HydrophobicContact CD2-CH2 3.85Å; L89-W222 HydrophobicContact CD2-CZ2 3.64Å; L89-W222 HydrophobicContact CG-CH2 4.29Å; L89-W222 HydrophobicContact CG-CZ2 3.86Å; K218-W222 PolarHBondContact O-N 2.85Å; I219-W222 WeakPolarHBondContact O-CB 3.4Å; I219-W222 PolarHBondContact O-N 3.33Å; I219-W222 VanDerWaalsContact O-N 3.13Å; L220-W222 VanDerWaalsContact C-N 3.26Å; L220-W222 PolarHBondContact O-N 3.34Å; W222-E224 PolarHBondContact O-N 2.69Å; W222-N225 PolarHBondContact O-N 3.13Å; W222-Q226 HydrophobicContact CD2-CG 4.16Å; W222-Q226 HydrophobicContact CE3-CG 3.92Å; W222-Q226 HydrophobicContact CH2-CG 3.67Å; W222-Q226 HydrophobicContact CZ2-CB 4.4Å; W222-Q226 HydrophobicContact CZ2-CG 3.91Å; W222-Q226 HydrophobicContact CZ3-CG 3.67Å; W222-Q226 WeakPolarHBondContact O-CG 3.45Å; W222-Q226 PolarHBondContact O-N 3.13Å; W222-L229 HydrophobicContact CH2-CD1 4.33Å; W222-F231 AromaticContact CH2-CE2 3.76Å; W222-F231 HydrophobicContact CH2-CE2 3.76Å; W222-F231 AromaticContact CH2-CZ 3.96Å; W222-F231 HydrophobicContact CH2-CZ 3.96Å; W222-F231 AromaticContact CZ3-CE2 3.77Å; W222-F231 HydrophobicContact CZ3-CE2 3.77Å; W222-F231 HydrophobicContact CZ3-CZ 4.16Å
223	F	98.7	Very high	98.3	Very high	0 Å²	0	45.6 Å²	45.6	0%	0	21%	0.213	C	C	.	.	H	α-helix	trans	-63.7	-37.4	178.7	-90.7	-85.4	0	0	0	113.5	I219 L220 N225 F231 M363 D376 Y379 V380 L383	I219-F223 HydrophobicContact CG2-CD2 3.83Å; I219-F223 HydrophobicContact CG2-CE2 3.86Å; I219-F223 WeakPolarHBondContact O-CD2 3.49Å; I219-F223 PolarHBondContact O-N 2.88Å; L220-F223 PolarHBondContact O-N 2.9Å; L220-F223 VanDerWaalsContact O-N 3.12Å; F223-N225 VanDerWaalsContact C-N 3.26Å; F223-N225 PolarHBondContact O-N 3.03Å; F223-F231 HydrophobicContact CE1-CB 4.47Å; F223-F231 AromaticContact CE1-CD2 3.5Å; F223-F231 HydrophobicContact CE1-CD2 3.5Å; F223-F231 AromaticContact CE1-CE2 3.99Å; F223-F231 HydrophobicContact CE1-CE2 3.99Å; F223-F231 HydrophobicContact CE1-CG 4.19Å; F223-F231 HydrophobicContact CZ-CB 4.35Å; F223-F231 AromaticContact CZ-CD2 3.57Å; F223-F231 HydrophobicContact CZ-CD2 3.57Å; F223-F231 AromaticContact CZ-CE2 3.92Å; F223-F231 HydrophobicContact CZ-CE2 3.92Å; F223-F231 AromaticContact CZ-CG 3.94Å; F223-F231 HydrophobicContact CZ-CG 3.94Å; F223-M363 HydrophobicContact CE2-CE 3.41Å; F223-M363 VanDerWaalsContact CE2-CE 3.41Å; F223-M363 HydrophobicContact CE2-SD 3.88Å; F223-M363 HydrophobicContact CZ-CE 3.51Å; F223-D376 HydrophobicContact CD1-CB 4.04Å; F223-D376 HydrophobicContact CE1-CB 4.12Å; F223-Y379 AromaticContact CD1-CD1 3.91Å; F223-Y379 HydrophobicContact CD1-CD1 3.91Å; F223-Y379 HydrophobicContact CD1-CG 4.12Å; F223-Y379 AromaticContact CD2-CD1 3.74Å; F223-Y379 HydrophobicContact CD2-CD1 3.74Å; F223-Y379 AromaticContact CD2-CE1 3.83Å; F223-Y379 HydrophobicContact CD2-CE1 3.83Å; F223-Y379 AromaticContact CE1-CD1 3.56Å; F223-Y379 HydrophobicContact CE1-CD1 3.56Å; F223-Y379 HydrophobicContact CE1-CD2 4.07Å; F223-Y379 HydrophobicContact CE1-CE1 4.1Å; F223-Y379 AromaticContact CE1-CG 3.54Å; F223-Y379 HydrophobicContact CE1-CG 3.54Å; F223-Y379 AromaticContact CE2-CD1 3.39Å; F223-Y379 HydrophobicContact CE2-CD1 3.39Å; F223-Y379 AromaticContact CE2-CE1 3.17Å; F223-Y379 HydrophobicContact CE2-CE1 3.17Å; F223-Y379 HydrophobicContact CE2-CG 4.17Å; F223-Y379 AromaticContact CE2-CZ 3.79Å; F223-Y379 AromaticContact CG-CD1 4Å; F223-Y379 HydrophobicContact CG-CD1 4Å; F223-Y379 AromaticContact CZ-CD1 3.29Å; F223-Y379 HydrophobicContact CZ-CD1 3.29Å; F223-Y379 AromaticContact CZ-CD2 3.88Å; F223-Y379 HydrophobicContact CZ-CD2 3.88Å; F223-Y379 AromaticContact CZ-CE1 3.33Å; F223-Y379 HydrophobicContact CZ-CE1 3.33Å; F223-Y379 AromaticContact CZ-CE2 3.91Å; F223-Y379 HydrophobicContact CZ-CE2 3.91Å; F223-Y379 AromaticContact CZ-CG 3.57Å; F223-Y379 HydrophobicContact CZ-CG 3.57Å; F223-Y379 AromaticContact CZ-CZ 3.65Å; F223-V380 HydrophobicContact CB-CG2 3.89Å; F223-L383 HydrophobicContact CD2-CD1 3.9Å; F223-L383 HydrophobicContact CG-CD1 4.37Å
224	E	98.4	Very high	98.3	Very high	86 Å²	86	45 Å²	45	40%	0.402	21%	0.211	S	C	.	.	H	α-helix	trans	-70.2	-23.6	177.8	-71.1	-175.9	147.1	0	0	112.7	L220 W222 V380 K384	L220-E224 HydrophobicContact CD1-CG 3.94Å; L220-E224 HydrophobicContact CG-CG 4.38Å; L220-E224 WeakPolarHBondContact O-CG 3.28Å; L220-E224 PolarHBondContact O-N 3.21Å; W222-E224 PolarHBondContact O-N 2.69Å; E224-V380 HydrophobicContact CG-CG1 4.39Å; E224-V380 HydrophobicContact CG-CG2 4.41Å; E224-K384 WeakPolarHBondContact OE1-CE 3.3Å; E224-K384 IonicContact OE1-NZ 2.64Å; E224-K384 PolarHBondContact OE1-NZ 2.83Å
225	N	98.1	Very high	98.3	Very high	135 Å²	135	39.6 Å²	39.6	72%	0.722	19%	0.185	S	C	*	.	T	Hydrogen-bonded Turn	trans	-98.8	0.6	-177.8	-72.9	-58.1	0	0	0	114.4	Q221 W222 F223	Q221-N225 WeakPolarHBondContact O-CB 3.47Å; Q221-N225 PolarHBondContact O-N 2.81Å; Q221-N225 PolarHBondContact O-ND2 2.72Å; W222-N225 PolarHBondContact O-N 3.13Å; F223-N225 VanDerWaalsContact C-N 3.26Å; F223-N225 PolarHBondContact O-N 3.03Å
226	Q	98.1	Very high	98.3	Very high	4 Å²	4	36.7 Å²	36.7	2%	0.019	17%	0.173	C	C	.	.			trans	-124.1	148.4	180	75.1	84.5	21	0	0	112	V85 W222 L229	V85-Q226 HydrophobicContact CG1-CB 3.52Å; V85-Q226 HydrophobicContact CG1-CG 4.41Å; W222-Q226 HydrophobicContact CD2-CG 4.16Å; W222-Q226 HydrophobicContact CE3-CG 3.92Å; W222-Q226 HydrophobicContact CH2-CG 3.67Å; W222-Q226 HydrophobicContact CZ2-CB 4.4Å; W222-Q226 HydrophobicContact CZ2-CG 3.91Å; W222-Q226 HydrophobicContact CZ3-CG 3.67Å; W222-Q226 WeakPolarHBondContact O-CG 3.45Å; W222-Q226 PolarHBondContact O-N 3.13Å; Q226-L229 PolarHBondContact NE2-O 2.92Å; Q226-L229 PolarHBondContact OE1-O 3.02Å
227	K	98.2	Very high	98.3	Very high	132 Å²	132	37.9 Å²	37.9	57%	0.574	18%	0.179	S	C	*	.			trans	-130.1	9	175.8	-60.7	-177.9	-177.2	178.4	0	112.8	S372 N373 T374 V375	K227-S372 CarbonylContact O-C 3.56Å; K227-N373 CarbonylContact O-C 3.59Å; K227-N373 WeakPolarHBondContact O-CA 3.46Å; K227-N373 PolarHBondContact O-N 3.34Å; K227-T374 CarbonylContact C-O 3.46Å; K227-T374 WeakPolarHBondContact CA-O 3.46Å; K227-T374 PolarHBondContact O-N 3.03Å; K227-V375 HydrophobicContact CD-CG2 4.41Å; K227-V375 HydrophobicContact CG-CG2 3.87Å
228	Q	98	Very high	98.3	Very high	52 Å²	52	35.3 Å²	35.3	24%	0.243	17%	0.167	C	C	.	.	S	Bend	trans	-91.7	-21	-169.3	59.2	156	-44.2	0	0	113.4	D83 V85 P371 S372	D83-Q228 PolarHBondContact OD2-NE2 3.19Å; V85-Q228 HydrophobicContact CG1-CG 4.11Å; Q228-P371 CarbonylContact O-C 3.49Å; Q228-P371 VanDerWaalsContact O-CA 3.3Å; Q228-P371 WeakPolarHBondContact O-CA 3.39Å; Q228-S372 WeakPolarHBondContact CA-O 3.36Å; Q228-S372 PolarHBondContact O-N 3.07Å
229	L	98.5	Very high	98.3	Very high	6 Å²	6	29.9 Å²	29.9	3%	0.031	14%	0.143	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-137.6	131.9	-173.7	-65.6	169.1	0	0	0	110.9	F72 M75 L86 L89 W222 Q226 F231 V369 F370	F72-L229 HydrophobicContact CE2-CD1 4.28Å; M75-L229 HydrophobicContact CE-CD1 4.18Å; M75-L229 HydrophobicContact CE-CD2 4.06Å; L86-L229 HydrophobicContact CD2-CD1 3.88Å; L89-L229 HydrophobicContact CD2-CD1 4.33Å; W222-L229 HydrophobicContact CH2-CD1 4.33Å; Q226-L229 PolarHBondContact NE2-O 2.92Å; Q226-L229 PolarHBondContact OE1-O 3.02Å; L229-F231 HydrophobicContact CB-CD2 4.27Å; L229-F231 HydrophobicContact CB-CE2 3.54Å; L229-F231 HydrophobicContact CB-CZ 4.18Å; L229-F231 HydrophobicContact CD1-CE2 4.32Å; L229-F231 HydrophobicContact CD1-CZ 4.17Å; L229-V369 HydrophobicContact CB-CG1 4.31Å; L229-V369 HydrophobicContact CD2-CG1 3.98Å; L229-F370 WeakPolarHBondContact CA-O 3.29Å
230	N	98.5	Very high	98.2	Very high	17 Å²	17	29.9 Å²	29.9	9%	0.091	14%	0.143	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-110.3	138.6	165.5	-70.6	3.9	0	0	0	109.6	Y232 V369 F370 S372 T374 D376	N230-Y232 HydrophobicContact CB-CE2 3.69Å; N230-Y232 PolarHBondContact ND2-OH 3.28Å; N230-V369 WeakPolarHBondContact O-CA 3.47Å; N230-F370 PolarHBondContact N-O 2.86Å; N230-F370 PolarHBondContact O-N 3.4Å; N230-S372 PolarHBondContact ND2-OG 3.1Å; N230-S372 VanDerWaalsContact OD1-CB 3.24Å; N230-S372 WeakPolarHBondContact OD1-CB 3.34Å; N230-S372 PolarHBondContact OD1-OG 2.78Å; N230-T374 PolarHBondContact OD1-O 3.1Å; N230-D376 WeakPolarHBondContact CA-OD2 3.23Å; N230-D376 HydrophobicContact CB-CB 4.43Å
231	F	98.6	Very high	98.1	Very high	2 Å²	2	29.7 Å²	29.7	1%	0.009	14%	0.142	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-115.8	114.9	-173.1	-68.8	-107.4	0	0	0	109.5	F72 L89 W222 F223 L229 M363 F366 V369 D376 Y379	F72-F231 AromaticContact CE2-CE1 3.85Å; F72-F231 HydrophobicContact CE2-CE1 3.85Å; F72-F231 AromaticContact CE2-CZ 3.93Å; F72-F231 HydrophobicContact CE2-CZ 3.93Å; F72-F231 AromaticContact CZ-CE1 3.82Å; F72-F231 HydrophobicContact CZ-CE1 3.82Å; F72-F231 HydrophobicContact CZ-CZ 4.15Å; L89-F231 HydrophobicContact CD2-CZ 4.26Å; W222-F231 AromaticContact CH2-CE2 3.76Å; W222-F231 HydrophobicContact CH2-CE2 3.76Å; W222-F231 AromaticContact CH2-CZ 3.96Å; W222-F231 HydrophobicContact CH2-CZ 3.96Å; W222-F231 AromaticContact CZ3-CE2 3.77Å; W222-F231 HydrophobicContact CZ3-CE2 3.77Å; W222-F231 HydrophobicContact CZ3-CZ 4.16Å; F223-F231 HydrophobicContact CE1-CB 4.47Å; F223-F231 AromaticContact CE1-CD2 3.5Å; F223-F231 HydrophobicContact CE1-CD2 3.5Å; F223-F231 AromaticContact CE1-CE2 3.99Å; F223-F231 HydrophobicContact CE1-CE2 3.99Å; F223-F231 HydrophobicContact CE1-CG 4.19Å; F223-F231 HydrophobicContact CZ-CB 4.35Å; F223-F231 AromaticContact CZ-CD2 3.57Å; F223-F231 HydrophobicContact CZ-CD2 3.57Å; F223-F231 AromaticContact CZ-CE2 3.92Å; F223-F231 HydrophobicContact CZ-CE2 3.92Å; F223-F231 AromaticContact CZ-CG 3.94Å; F223-F231 HydrophobicContact CZ-CG 3.94Å; L229-F231 HydrophobicContact CB-CD2 4.27Å; L229-F231 HydrophobicContact CB-CE2 3.54Å; L229-F231 HydrophobicContact CB-CZ 4.18Å; L229-F231 HydrophobicContact CD1-CE2 4.32Å; L229-F231 HydrophobicContact CD1-CZ 4.17Å; F231-M363 HydrophobicContact CD1-CE 3.92Å; F231-M363 HydrophobicContact CE1-CE 3.68Å; F231-M363 HydrophobicContact CE2-CE 4.49Å; F231-M363 HydrophobicContact CG-CE 4.45Å; F231-M363 HydrophobicContact CZ-CE 4Å; F231-F366 AromaticContact CD1-CD1 3.87Å; F231-F366 HydrophobicContact CD1-CD1 3.87Å; F231-F366 HydrophobicContact CD1-CE1 4.05Å; F231-F366 AromaticContact CE1-CD1 3.72Å; F231-F366 HydrophobicContact CE1-CD1 3.72Å; F231-F366 AromaticContact CE1-CE1 3.77Å; F231-F366 HydrophobicContact CE1-CE1 3.77Å; F231-V369 HydrophobicContact CD1-CB 4.37Å; F231-V369 HydrophobicContact CD1-CG1 4.11Å; F231-V369 HydrophobicContact CD1-CG2 3.35Å; F231-V369 HydrophobicContact CD2-CG1 4.41Å; F231-V369 HydrophobicContact CE1-CB 4.47Å; F231-V369 HydrophobicContact CE1-CG1 3.94Å; F231-V369 HydrophobicContact CE1-CG2 3.62Å; F231-V369 HydrophobicContact CE2-CG1 4.28Å; F231-V369 HydrophobicContact CG-CG1 4.33Å; F231-V369 HydrophobicContact CG-CG2 4.05Å; F231-V369 HydrophobicContact CZ-CG1 4.04Å; F231-D376 PolarHBondContact N-OD2 3.01Å; F231-Y379 HydrophobicContact CB-CD2 3.75Å; F231-Y379 HydrophobicContact CB-CE2 3.86Å
232	Y	98	Very high	97.9	Very high	37 Å²	37	25.4 Å²	25.4	15%	0.145	12%	0.122	C	C	.	.			trans	-109.7	143.7	175	-56.4	-87.3	0	0	0	109.5	Y135 D136 P137 N230 S234 H368 F370	Y135-Y232 VanDerWaalsContact O-CD1 3.31Å; Y135-Y232 WeakPolarHBondContact O-CD1 3.2Å; D136-Y232 HydrophobicContact CB-CD2 4.27Å; D136-Y232 HydrophobicContact CB-CG 4.23Å; P137-Y232 HydrophobicContact CG-CE2 3.78Å; N230-Y232 HydrophobicContact CB-CE2 3.69Å; N230-Y232 PolarHBondContact ND2-OH 3.28Å; Y232-S234 PolarHBondContact O-N 2.92Å; Y232-H368 PolarHBondContact N-O 3.28Å; Y232-H368 VanDerWaalsContact O-CB 3.3Å; Y232-H368 WeakPolarHBondContact O-CB 3.47Å; Y232-F370 AromaticContact CD2-CD2 3.79Å; Y232-F370 HydrophobicContact CD2-CD2 3.79Å; Y232-F370 HydrophobicContact CD2-CE2 4.2Å; Y232-F370 HydrophobicContact CE2-CD2 4.1Å
233	A	95.8	Very high	97.4	Very high	8 Å²	8	27 Å²	27	7%	0.066	14%	0.135	C	C	.	.	S	Bend	trans	56.6	7	175.1	0	0	0	0	0	117.1	K129	K129-A233 WeakPolarHBondContact CE-O 3.19Å
234	S	97.9	Very high	96.4	Very high	0 Å²	0	29.2 Å²	29.2	0%	0	15%	0.151	C	C	.	.			trans	-78	163.5	172.2	63.4	0	0	0	0	111.7	I130 Y232 I364 D365 Y379	I130-S234 PolarHBondContact N-O 3.17Å; Y232-S234 PolarHBondContact O-N 2.92Å; S234-I364 WeakPolarHBondContact CB-O 3.46Å; S234-D365 WeakPolarHBondContact CA-O 3.27Å; S234-D365 VanDerWaalsContact CB-O 3.23Å; S234-D365 WeakPolarHBondContact CB-O 3.38Å; S234-Y379 WeakPolarHBondContact OG-CE2 3.31Å
235	S	98.5	Very high	94.9	Very high	0 Å²	0	31.9 Å²	31.9	0%	0	16%	0.163	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-126.8	162.9	-174.6	-71.3	0	0	0	0	113.1	D127 V128 K129 M363 I364	D127-S235 WeakPolarHBondContact OD1-CB 3.14Å; D127-S235 PolarHBondContact OD1-OG 3.43Å; V128-S235 CarbonylContact O-C 3.46Å; V128-S235 WeakPolarHBondContact O-CA 3.42Å; V128-S235 WeakPolarHBondContact O-CB 3.26Å; K129-S235 WeakPolarHBondContact CA-OG 3.49Å; K129-S235 PolarHBondContact N-OG 3.31Å; S235-M363 CarbonylContact O-C 3.25Å; S235-M363 WeakPolarHBondContact O-CA 3.15Å; S235-I364 PolarHBondContact N-O 3Å; S235-I364 PolarHBondContact O-N 3.07Å
236	L	98.7	Very high	93	Very high	0 Å²	0	28.5 Å²	28.5	0%	0	15%	0.148	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-99.6	128.3	157.5	-63.3	-175.8	0	0	0	109.3	V128 I130 V216 I219 F238 V361 R362 M363 L383 L386	V128-L236 PolarHBondContact N-O 3.48Å; V128-L236 PolarHBondContact O-N 2.76Å; I130-L236 HydrophobicContact CD1-CD1 4.2Å; I130-L236 HydrophobicContact CD1-CG 4.25Å; I130-L236 HydrophobicContact CG1-CD1 4.16Å; I130-L236 HydrophobicContact CG1-CG 3.8Å; V216-L236 HydrophobicContact CG1-CD1 4.34Å; V216-L236 HydrophobicContact CG2-CD1 4.2Å; I219-L236 HydrophobicContact CD1-CD2 3.7Å; I219-L236 HydrophobicContact CG2-CD2 4.5Å; L236-F238 HydrophobicContact CB-CD2 4.25Å; L236-F238 HydrophobicContact CB-CE2 3.62Å; L236-F238 HydrophobicContact CB-CZ 4.26Å; L236-F238 HydrophobicContact CD1-CE2 4.27Å; L236-F238 HydrophobicContact CD1-CZ 4.15Å; L236-V361 HydrophobicContact CB-CG1 4.09Å; L236-V361 HydrophobicContact CD1-CG1 4.11Å; L236-V361 HydrophobicContact CD2-CG1 4.38Å; L236-V361 HydrophobicContact CG-CG1 4.43Å; L236-R362 CarbonylContact C-O 3.05Å; L236-R362 WeakPolarHBondContact CA-O 3.42Å; L236-M363 HydrophobicContact CD2-CB 4.28Å; L236-M363 HydrophobicContact CD2-CG 3.53Å; L236-L383 HydrophobicContact CD1-CD2 3.7Å; L236-L386 HydrophobicContact CD1-CD2 4.27Å
237	L	98.6	Very high	90.9	Very high	26 Å²	26	33.1 Å²	33.1	14%	0.136	19%	0.187	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-96.1	110.1	170.9	-170.5	70.1	0	0	0	109.1	V116 I125 D127 V239 V361 R362 I364	V116-L237 HydrophobicContact CB-CD2 4.36Å; I125-L237 HydrophobicContact CG2-CD1 3.59Å; I125-L237 HydrophobicContact CG2-CG 4.35Å; D127-L237 HydrophobicContact CB-CD1 4.36Å; L237-V239 HydrophobicContact CD2-CG2 4.23Å; L237-V239 HydrophobicContact CG-CG2 4.08Å; L237-V361 VanDerWaalsContact O-CA 3.31Å; L237-V361 WeakPolarHBondContact O-CA 3.11Å; L237-R362 PolarHBondContact N-O 3.33Å; L237-R362 PolarHBondContact O-N 3.1Å; L237-R362 VanDerWaalsContact O-N 3.07Å; L237-I364 HydrophobicContact CB-CD1 3.86Å; L237-I364 HydrophobicContact CB-CG1 4.21Å; L237-I364 HydrophobicContact CB-CG2 4.21Å; L237-I364 HydrophobicContact CD1-CD1 4.23Å; L237-I364 HydrophobicContact CG-CD1 4.45Å
238	F	98.6	Very high	88.5	Confident	0 Å²	0	32.7 Å²	32.7	0%	0	20%	0.196	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-88.4	132.7	172.5	-66.3	-100.8	0	0	0	109.1	I125 M126 V128 F197 V216 L236 E360 V361 L386 L390	I125-F238 CarbonylContact C-O 3.53Å; I125-F238 VanDerWaalsContact CA-O 3.31Å; I125-F238 WeakPolarHBondContact CA-O 3.32Å; M126-F238 HydrophobicContact CB-CB 4.29Å; M126-F238 HydrophobicContact CE-CB 4.32Å; M126-F238 HydrophobicContact CE-CD2 3.88Å; M126-F238 HydrophobicContact CE-CE2 4.37Å; M126-F238 HydrophobicContact CE-CG 4Å; M126-F238 PolarHBondContact N-O 2.84Å; M126-F238 PolarHBondContact O-N 2.94Å; V128-F238 HydrophobicContact CB-CE2 4.16Å; V128-F238 HydrophobicContact CG2-CD2 3.92Å; V128-F238 HydrophobicContact CG2-CE2 3.81Å; F197-F238 HydrophobicContact CE1-CB 3.72Å; F197-F238 HydrophobicContact CZ-CB 3.96Å; V216-F238 HydrophobicContact CG2-CE1 3.7Å; V216-F238 HydrophobicContact CG2-CZ 3.66Å; L236-F238 HydrophobicContact CB-CD2 4.25Å; L236-F238 HydrophobicContact CB-CE2 3.62Å; L236-F238 HydrophobicContact CB-CZ 4.26Å; L236-F238 HydrophobicContact CD1-CE2 4.27Å; L236-F238 HydrophobicContact CD1-CZ 4.15Å; F238-E360 CarbonylContact C-O 3.53Å; F238-E360 WeakPolarHBondContact CA-O 3.12Å; F238-V361 HydrophobicContact CD1-CB 4.5Å; F238-V361 HydrophobicContact CD1-CG1 4.26Å; F238-V361 HydrophobicContact CD1-CG2 3.51Å; F238-V361 HydrophobicContact CE1-CB 4.47Å; F238-V361 HydrophobicContact CE1-CG1 3.94Å; F238-V361 HydrophobicContact CE1-CG2 3.62Å; F238-V361 HydrophobicContact CE2-CG1 4.35Å; F238-V361 HydrophobicContact CG-CG2 4.28Å; F238-V361 HydrophobicContact CZ-CG1 3.98Å; F238-V361 HydrophobicContact CZ-CG2 4.48Å; F238-L386 HydrophobicContact CE2-CD2 4.16Å; F238-L386 HydrophobicContact CZ-CD2 3.8Å; F238-L390 HydrophobicContact CE1-CD1 4.47Å
239	V	98.2	Very high	85.6	Confident	1 Å²	1	36.8 Å²	36.8	1%	0.006	23%	0.225	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-138	135.5	174.9	-167.7	0	0	0	0	109.4	V116 T117 F120 P123 C124 I125 L237 A359 E360	V116-V239 HydrophobicContact CG1-CG2 4.1Å; T117-V239 HydrophobicContact CG2-CG1 4.2Å; T117-V239 HydrophobicContact CG2-CG2 4.14Å; F120-V239 HydrophobicContact CD2-CB 4.47Å; F120-V239 HydrophobicContact CD2-CG1 3.53Å; F120-V239 HydrophobicContact CE2-CB 3.99Å; F120-V239 HydrophobicContact CE2-CG1 3.53Å; F120-V239 HydrophobicContact CG-CG1 4.13Å; F120-V239 HydrophobicContact CZ-CB 4.44Å; F120-V239 HydrophobicContact CZ-CG1 4.15Å; P123-V239 HydrophobicContact CB-CG1 3.94Å; C124-V239 CarbonylContact O-C 3.51Å; C124-V239 WeakPolarHBondContact O-CA 3.44Å; I125-V239 HydrophobicContact CG1-CG1 4.37Å; L237-V239 HydrophobicContact CD2-CG2 4.23Å; L237-V239 HydrophobicContact CG-CG2 4.08Å; V239-A359 CarbonylContact O-C 3.57Å; V239-A359 VanDerWaalsContact O-CA 3.27Å; V239-A359 WeakPolarHBondContact O-CA 3.48Å; V239-E360 HydrophobicContact CB-CB 4.34Å; V239-E360 PolarHBondContact N-O 3.4Å; V239-E360 PolarHBondContact O-N 3.19Å
240	Y	97.3	Very high	82.5	Confident	1 Å²	1	45.7 Å²	45.7	0%	0.004	26%	0.263	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-146.8	163.3	169.7	74.6	-92.2	0	0	0	111.2	C124 F197 F198 R205 A208 G242	C124-Y240 HydrophobicContact CB-CD1 3.66Å; C124-Y240 HydrophobicContact CB-CD2 4.19Å; C124-Y240 HydrophobicContact CB-CE1 3.27Å; C124-Y240 HydrophobicContact CB-CE2 3.84Å; C124-Y240 HydrophobicContact CB-CG 4.1Å; C124-Y240 PolarHBondContact N-O 3.39Å; C124-Y240 PolarHBondContact O-N 2.79Å; C124-Y240 PolarHBondContact SG-OH 3.32Å; C124-Y240 VanDerWaalsContact SG-OH 3.4Å; F197-Y240 HydrophobicContact CD1-CE1 4.2Å; F197-Y240 HydrophobicContact CD2-CE1 4.38Å; F197-Y240 AromaticContact CE1-CD1 3.73Å; F197-Y240 HydrophobicContact CE1-CD1 3.73Å; F197-Y240 AromaticContact CE1-CE1 3.7Å; F197-Y240 HydrophobicContact CE1-CE1 3.7Å; F197-Y240 HydrophobicContact CE2-CD1 4.29Å; F197-Y240 AromaticContact CE2-CE1 3.88Å; F197-Y240 HydrophobicContact CE2-CE1 3.88Å; F197-Y240 AromaticContact CZ-CD1 3.54Å; F197-Y240 HydrophobicContact CZ-CD1 3.54Å; F197-Y240 AromaticContact CZ-CE1 3.53Å; F197-Y240 HydrophobicContact CZ-CE1 3.53Å; F197-Y240 WeakPolarHBondContact O-CE1 3.31Å; F197-Y240 PolarHBondContact O-OH 3.47Å; F198-Y240 HydrophobicContact CD1-CD1 4.38Å; F198-Y240 HydrophobicContact CD1-CE1 4.07Å; R205-Y240 HydrophobicContact CB-CE2 4.43Å; R205-Y240 HydrophobicContact CG-CE2 4.19Å; A208-Y240 HydrophobicContact CB-CD1 4.16Å; A208-Y240 HydrophobicContact CB-CD2 3.91Å; A208-Y240 HydrophobicContact CB-CE2 4.43Å; A208-Y240 HydrophobicContact CB-CG 3.78Å; Y240-G242 PolarHBondContact O-N 2.93Å
241	E	95.8	Very high	79.5	Confident	15 Å²	15	49.8 Å²	49.8	7%	0.07	29%	0.293	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-75.6	118.4	178.5	-175.6	49.8	-106	0	0	111.9	F120 N121 K122 R205 S243 S244	F120-E241 WeakPolarHBondContact CA-OE2 3.47Å; F120-E241 HydrophobicContact CD1-CB 3.87Å; F120-E241 HydrophobicContact CE1-CB 4.34Å; N121-E241 PolarHBondContact N-OE2 3.26Å; K122-E241 WeakPolarHBondContact CA-OE1 3.47Å; K122-E241 WeakPolarHBondContact CB-OE1 3.42Å; K122-E241 PolarHBondContact N-OE1 3.21Å; K122-E241 PolarHBondContact N-OE2 3.31Å; R205-E241 PolarHBondContact NH1-O 3.42Å; E241-S243 PolarHBondContact OE1-N 2.73Å; E241-S243 PolarHBondContact OE1-OG 3.14Å; E241-S243 VanDerWaalsContact OE1-OG 3.05Å; E241-S244 WeakPolarHBondContact CB-OG 3.37Å; E241-S244 VanDerWaalsContact CG-OG 3.29Å; E241-S244 WeakPolarHBondContact CG-OG 3.47Å
242	G	94.2	Very high	76.4	Confident	0 Å²	0	57 Å²	57	0%	0	33%	0.331	C	S	.	.	T	Hydrogen-bonded Turn	trans	-73.6	-31.2	177.5	0	0	0	0	0	113.8	K122 Y240 S244	K122-G242 WeakPolarHBondContact O-CA 3.42Å; K122-G242 PolarHBondContact O-N 3.15Å; Y240-G242 PolarHBondContact O-N 2.93Å; G242-S244 VanDerWaalsContact C-N 3.31Å; G242-S244 PolarHBondContact O-N 2.74Å
243	S	88.3	Confident	73.5	Confident	46 Å²	46	62 Å²	62	32%	0.322	36%	0.361	S	S	.	.	T	Hydrogen-bonded Turn	trans	-79.7	-8.4	-176	70.2	0	0	0	0	114.3	E241 Q245	E241-S243 PolarHBondContact OE1-N 2.73Å; E241-S243 PolarHBondContact OE1-OG 3.14Å; E241-S243 VanDerWaalsContact OE1-OG 3.05Å; S243-Q245 PolarHBondContact O-N 2.82Å
244	S	78.9	Confident	70.5	Confident	46 Å²	46	72.7 Å²	72.7	32%	0.322	40%	0.4	S	S	.	.	P	Polyproline II helix	trans	-69.6	123.7	178.2	-50.5	0	0	0	0	110.8	R205 E241 G242	R205-S244 PolarHBondContact NH1-O 3.29Å; R205-S244 VanDerWaalsContact NH1-O 3.07Å; E241-S244 WeakPolarHBondContact CB-OG 3.37Å; E241-S244 VanDerWaalsContact CG-OG 3.29Å; E241-S244 WeakPolarHBondContact CG-OG 3.47Å; G242-S244 VanDerWaalsContact C-N 3.31Å; G242-S244 PolarHBondContact O-N 2.74Å
245	Q	66.5	Low	67.5	Low	142 Å²	142	78.8 Å²	78.8	66%	0.664	44%	0.437	S	S	*	.	P	Polyproline II helix	trans	-81.3	144.2	165.6	-65.8	-169.9	11.8	0	0	109.4	L169 S243 A247	L169-Q245 HydrophobicContact CD2-CG 4.25Å; S243-Q245 PolarHBondContact O-N 2.82Å; Q245-A247 PolarHBondContact O-N 3.06Å
246	P	58.5	Low	64.5	Low	63 Å²	63	86.6 Å²	86.6	41%	0.409	48%	0.478	S	S	.	.	P	Polyproline II helix	trans	-54.5	127.5	166.5	-17.4	28.9	0	0	0	108	T248	P246-T248 VanDerWaalsContact C-N 3.34Å; P246-T248 PolarHBondContact O-N 3.43Å
247	A	53.4	Low	61.3	Low	102 Å²	102	91.5 Å²	91.5	84%	0.843	52%	0.519	S	S	*	.			trans	-58.5	101.5	172.2	0	0	0	0	0	107.9	Q245 T249	Q245-A247 PolarHBondContact O-N 3.06Å; A247-T249 PolarHBondContact O-N 3.15Å; A247-T249 VanDerWaalsContact O-N 3.13Å
248	T	47.4	Very low	58.2	Low	123 Å²	123	93.7 Å²	93.7	76%	0.755	55%	0.547	S	S	*	.			trans	-64.2	118.4	173.7	46.1	0	0	0	0	106.5	P246 K250	P246-T248 VanDerWaalsContact C-N 3.34Å; P246-T248 PolarHBondContact O-N 3.43Å; T248-K250 PolarHBondContact O-N 3.03Å
249	T	37.4	Very low	55	Low	138 Å²	138	104.8 Å²	104.8	85%	0.847	59%	0.589	S	S	*	*			trans	-46.8	119.1	169.5	-46.5	0	0	0	0	107	A247 S251	A247-T249 PolarHBondContact O-N 3.15Å; A247-T249 VanDerWaalsContact O-N 3.13Å; T249-S251 VanDerWaalsContact C-N 3.27Å; T249-S251 PolarHBondContact O-N 3.33Å
250	K	33	Very low	52	Low	192 Å²	192	114.9 Å²	114.9	84%	0.835	63%	0.633	S	S	*	*			trans	-55	94.2	176.6	-70.6	-178.1	178.1	178.8	0	108.5	T248 N252	T248-K250 PolarHBondContact O-N 3.03Å; K250-N252 PolarHBondContact O-N 3.37Å; K250-N252 VanDerWaalsContact O-N 3.13Å
251	S	35.8	Very low	48.7	Very low	103 Å²	103	123.3 Å²	123.3	72%	0.72	68%	0.678	S	S	*	*			trans	-66.8	105.7	159.4	177.1	0	0	0	0	105.5	T249 D253	T249-S251 VanDerWaalsContact C-N 3.27Å; T249-S251 PolarHBondContact O-N 3.33Å; S251-D253 PolarHBondContact O-N 3.09Å
252	N	34	Very low	45.8	Very low	153 Å²	153	128 Å²	128	82%	0.818	71%	0.711	S	S	*	*			trans	-67.7	83.7	164.8	-77.1	-27.1	0	0	0	107.3	K250	K250-N252 PolarHBondContact O-N 3.37Å; K250-N252 VanDerWaalsContact O-N 3.13Å
253	D	36.6	Very low	42.7	Very low	144 Å²	144	138.4 Å²	138.4	77%	0.77	76%	0.757	S	S	*	*			trans	-125.5	98.3	159.3	-120.3	-15.6	0	0	0	109.5	S251	S251-D253 PolarHBondContact O-N 3.09Å
254	R	33.6	Very low	39.8	Very low	232 Å²	232	139.2 Å²	139.2	88%	0.875	77%	0.773	S	S	*	*			trans	-58	138.4	159.6	-80.7	175.6	169.7	173.7	-3.4	106.9
255	T	34	Very low	37.3	Very low	127 Å²	127	142.1 Å²	142.1	78%	0.779	80%	0.799	S	S	*	*			trans	113.4	89.7	155.6	-37.5	0	0	0	0	114.9
256	L	36.7	Very low	35.5	Very low	164 Å²	164	143.6 Å²	143.6	86%	0.859	81%	0.811	S	S	*	*				-173.8	106.8	116.4	-108.8	148.9	0	0	0	110.6
257	A	30.3	Very low	34	Very low	104 Å²	104	146 Å²	146	86%	0.86	83%	0.829	S	S	*	*			trans	-63.2	131.2	163.1	0	0	0	0	0	109.5
258	G	33.6	Very low	32.8	Very low	71 Å²	71	149.4 Å²	149.4	73%	0.732	83%	0.833	S	S	*	*			trans	-160.6	71.3	-179.1	0	0	0	0	0	112.4
259	R	31.9	Very low	31.9	Very low	233 Å²	233	147.5 Å²	147.5	88%	0.879	83%	0.83	S	S	*	*			trans	18.2	114.9	150.1	-69.4	173.5	170.6	157.2	-2.7	116.9
260	F	34	Very low	31.4	Very low	214 Å²	214	148.7 Å²	148.7	94%	0.939	83%	0.831	S	S	*	*				-153.5	100.5	124.8	-92.7	-72.3	0	0	0	109.4
261	L	29.7	Very low	31.1	Very low	178 Å²	178	146 Å²	146	93%	0.932	83%	0.83	S	S	*	*			trans	-86.3	119.9	159.1	-77.4	163.6	0	0	0	106.8
262	S	34.3	Very low	30.8	Very low	112 Å²	112	146.7 Å²	146.7	78%	0.783	83%	0.826	S	S	*	*			trans	-130.5	107.7	153.3	51.7	0	0	0	0	109.2
263	K	28	Very low	30.5	Very low	220 Å²	220	147 Å²	147	96%	0.957	82%	0.822	S	S	*	*			trans	-50.6	129.4	162.3	-81.1	171	167.1	176.1	0	109.7
264	G	28.1	Very low	30.1	Very low	63 Å²	63	143.2 Å²	143.2	65%	0.649	81%	0.806	S	S	*	*			trans	-165.9	112.9	166.6	0	0	0	0	0	108.5	L266	G264-L266 PolarHBondContact O-N 2.94Å
265	A	25.9	Very low	30.2	Very low	107 Å²	107	133.1 Å²	133.1	88%	0.884	77%	0.77	S	S	*	*			trans	-55.8	130.6	178.3	0	0	0	0	0	110.8
266	L	29.7	Very low	30.2	Very low	173 Å²	173	130.4 Å²	130.4	91%	0.906	75%	0.75	S	S	*	*			trans	-121.3	113.2	170	-72.3	173.2	0	0	0	108.3	G264	G264-L266 PolarHBondContact O-N 2.94Å
267	S	27.6	Very low	30	Very low	114 Å²	114	126.1 Å²	126.1	80%	0.797	73%	0.728	S	S	*	*			trans	-66	146.8	172.1	46.4	0	0	0	0	111.5	A269	S267-A269 PolarHBondContact O-N 2.58Å
268	D	27	Very low	30.3	Very low	172 Å²	172	125.1 Å²	125.1	92%	0.92	70%	0.704	S	S	*	*	S	Bend	trans	-34.7	110.4	166.7	-82.5	-41	0	0	0	113.3
269	A	28	Very low	30.1	Very low	84 Å²	84	129.1 Å²	129.1	69%	0.694	70%	0.704	S	S	*	*			trans	175.5	60.4	150.8	0	0	0	0	0	111.3	S267 V271	S267-A269 PolarHBondContact O-N 2.58Å; A269-V271 VanDerWaalsContact C-N 3.34Å; A269-V271 PolarHBondContact O-N 2.82Å
270	D	27.5	Very low	30.1	Very low	163 Å²	163	125.4 Å²	125.4	87%	0.872	70%	0.701	S	S	*	*			trans	-82.2	84.9	162.8	-95.2	-22.8	0	0	0	108.8	L272	D270-L272 PolarHBondContact O-N 3.46Å
271	V	27.7	Very low	29.8	Very low	134 Å²	134	123.7 Å²	123.7	81%	0.812	69%	0.693	S	S	*	*			trans	-83.8	91.2	167.2	-179.3	0	0	0	0	107.1	A269 E273	A269-V271 VanDerWaalsContact C-N 3.34Å; A269-V271 PolarHBondContact O-N 2.82Å; V271-E273 PolarHBondContact O-N 3Å
272	L	28.1	Very low	29.6	Very low	119 Å²	119	120.3 Å²	120.3	62%	0.623	69%	0.685	S	S	*	*			trans	-63	121.1	166.9	-96.7	95.1	0	0	0	109	D270 C274	D270-L272 PolarHBondContact O-N 3.46Å; L272-C274 PolarHBondContact O-N 2.78Å
273	E	29	Very low	29.4	Very low	160 Å²	160	120.5 Å²	120.5	75%	0.748	69%	0.686	S	S	*	*			trans	-71.4	81.3	167.7	-154	178.1	-162.1	0	0	108.6	K122 V271	K122-E273 PolarHBondContact NZ-O 3.48Å; V271-E273 PolarHBondContact O-N 3Å
274	C	28.1	Very low	29.5	Very low	63 Å²	63	115.8 Å²	115.8	43%	0.426	68%	0.678	S	S	.	*			trans	-80.8	135.9	174.7	-69	0	0	0	0	109.5	L272 N276	L272-C274 PolarHBondContact O-N 2.78Å; C274-N276 PolarHBondContact O-N 3.46Å
275	N	35.8	Very low	29.6	Very low	21 Å²	21	116.6 Å²	116.6	11%	0.112	68%	0.678	C	S	.	*	S	Bend	trans	-53.5	89	174.3	-178.4	26.8	0	0	0	111.6	H34 N277	H34-N275 PolarHBondContact ND1-OD1 3.12Å; N275-N277 PolarHBondContact O-N 2.81Å; N275-N277 PolarHBondContact O-OD1 3.17Å
276	N	32.7	Very low	29.9	Very low	69 Å²	69	119.6 Å²	119.6	37%	0.369	68%	0.68	S	S	.	*	S	Bend	trans	32	16.7	170.2	-77.7	-28	0	0	0	120.1	S33 C274 F278	S33-N276 PolarHBondContact OG-ND2 3.32Å; C274-N276 PolarHBondContact O-N 3.46Å; N276-F278 PolarHBondContact O-N 2.97Å
277	N	33.6	Very low	29.9	Very low	75 Å²	75	114.5 Å²	114.5	40%	0.401	67%	0.669	S	S	.	*			trans	-79	97.7	-179.7	-79.4	-10.1	0	0	0	107.7	N275 H279	N275-N277 PolarHBondContact O-N 2.81Å; N275-N277 PolarHBondContact O-OD1 3.17Å; N277-H279 PolarHBondContact O-N 2.89Å
278	F	37	Very low	30.1	Very low	82 Å²	82	116 Å²	116	36%	0.36	67%	0.673	S	S	.	*			trans	-20.1	116	174.9	-97.3	-100	0	0	0	114.7	G28 P52 N276 L280	G28-F278 WeakPolarHBondContact O-CZ 3.48Å; P52-F278 HydrophobicContact CB-CD2 4.22Å; P52-F278 HydrophobicContact CB-CE2 3.97Å; P52-F278 HydrophobicContact CB-CZ 4.17Å; P52-F278 HydrophobicContact CG-CE2 3.86Å; P52-F278 HydrophobicContact CG-CZ 3.88Å; N276-F278 PolarHBondContact O-N 2.97Å; F278-L280 PolarHBondContact O-N 2.88Å; F278-L280 VanDerWaalsContact O-N 3.07Å
279	H	28.9	Very low	30.1	Very low	155 Å²	155	113.4 Å²	113.4	72%	0.718	67%	0.668	S	S	*	*			trans	-66.7	100.7	156.6	-87.7	-87.9	0	0	0	108.9	N277 F281	N277-H279 PolarHBondContact O-N 2.89Å; H279-F281 VanDerWaalsContact C-N 3.34Å; H279-F281 HydrophobicContact CB-CD2 4.06Å; H279-F281 HydrophobicContact CB-CE2 3.97Å; H279-F281 PolarHBondContact O-N 3.28Å; H279-F281 VanDerWaalsContact O-N 3.11Å
280	L	30.5	Very low	30.3	Very low	155 Å²	155	116.6 Å²	116.6	81%	0.812	68%	0.679	S	S	*	*			trans	-78.1	87.5	165.4	-162.2	79.6	0	0	0	108.6	F278 S282	F278-L280 PolarHBondContact O-N 2.88Å; F278-L280 VanDerWaalsContact O-N 3.07Å; L280-S282 PolarHBondContact O-N 3.17Å; L280-S282 VanDerWaalsContact O-N 3.17Å
281	F	28.4	Very low	30.5	Very low	178 Å²	178	112 Å²	112	78%	0.781	67%	0.67	S	S	*	*			trans	-67.2	111.9	165.4	-82.2	-79	0	0	0	108.9	H279	H279-F281 VanDerWaalsContact C-N 3.34Å; H279-F281 HydrophobicContact CB-CD2 4.06Å; H279-F281 HydrophobicContact CB-CE2 3.97Å; H279-F281 PolarHBondContact O-N 3.28Å; H279-F281 VanDerWaalsContact O-N 3.11Å
282	S	26	Very low	30.7	Very low	108 Å²	108	115.6 Å²	115.6	76%	0.755	68%	0.675	S	S	*	*			trans	-73	124.9	168.3	-57.3	0	0	0	0	108.7	L280	L280-S282 PolarHBondContact O-N 3.17Å; L280-S282 VanDerWaalsContact O-N 3.17Å
283	S	30.2	Very low	30.8	Very low	115 Å²	115	114.9 Å²	114.9	80%	0.804	68%	0.68	S	S	*	*			trans	-136	140.4	159.8	-86.2	0	0	0	0	109.5
284	P	30	Very low	30.9	Very low	121 Å²	121	115 Å²	115	79%	0.786	69%	0.685	S	S	*	*			trans	-84.7	147.7	-163	33.4	-33.6	0	0	0	113
285	A	29.4	Very low	31.1	Very low	80 Å²	80	117.2 Å²	117.2	66%	0.661	70%	0.701	S	S	*	*			trans	56.5	107.5	146.5	0	0	0	0	0	119.3
286	N	32.8	Very low	31	Very low	171 Å²	171	125.3 Å²	125.3	91%	0.914	74%	0.736	S	S	*	*				158.6	129	116.3	-81.3	-23.4	0	0	0	110.8
287	G	30	Very low	31	Very low	66 Å²	66	126.7 Å²	126.7	68%	0.68	76%	0.756	S	S	*	*			trans	137.4	79.3	156.2	0	0	0	0	0	118.2
288	T	30.6	Very low	31	Very low	144 Å²	144	132.8 Å²	132.8	88%	0.883	78%	0.775	S	S	*	*			trans	54.7	105	132.1	55.2	0	0	0	0	122.1
289	S	27.8	Very low	31	Very low	118 Å²	118	134.3 Å²	134.3	83%	0.825	80%	0.796	S	S	*	*			trans	-17.8	126	144.3	144.2	0	0	0	0	119.2
290	V	32.6	Very low	31.3	Very low	151 Å²	151	138.2 Å²	138.2	92%	0.915	80%	0.804	S	S	*	*			trans	-158.8	137.4	138	-174.8	0	0	0	0	105.6
291	G	30.6	Very low	31.7	Very low	67 Å²	67	140.2 Å²	140.2	69%	0.691	81%	0.809	S	S	*	*			cis	179.7	151.4	3.4	0	0	0	0	0	107.1
292	K	32.7	Very low	32.1	Very low	209 Å²	209	143.5 Å²	143.5	91%	0.909	82%	0.816	S	S	*	*			trans	-52.1	159.1	-172	-64.8	158.5	178.7	176.7	0	116.2
293	S	30.1	Very low	32.4	Very low	105 Å²	105	147.9 Å²	147.9	73%	0.734	82%	0.822	S	S	*	*			trans	86.2	107.9	146	177.9	0	0	0	0	117.6
294	L	30.9	Very low	32.5	Very low	162 Å²	162	149.9 Å²	149.9	85%	0.848	82%	0.822	S	S	*	*			trans	-159.5	66.4	138.2	-100	174.3	0	0	0	111.2	K296	L294-K296 PolarHBondContact O-N 3.28Å
295	S	32.9	Very low	32.6	Very low	110 Å²	110	155.4 Å²	155.4	77%	0.769	83%	0.829	S	S	*	*			trans	-81.7	89.3	154	56	0	0	0	0	108.3
296	K	33.4	Very low	32.9	Very low	191 Å²	191	156.6 Å²	156.6	83%	0.83	84%	0.839	S	S	*	*			trans	-172.5	16.7	166.6	-111.3	165.4	-168.8	177.8	0	117.3	L294	L294-K296 PolarHBondContact O-N 3.28Å
297	A	33	Very low	32.8	Very low	97 Å²	97	158.3 Å²	158.3	80%	0.802	84%	0.838	S	S	*	*			trans	-90.1	-9.5	-173.5	0	0	0	0	0	116.3
298	Y	33.5	Very low	33	Very low	203 Å²	203	163.6 Å²	163.6	80%	0.796	84%	0.843	S	S	*	*	S	Bend	trans	-105.5	84.7	175	-95.2	-93.9	0	0	0	111.4
299	S	36.7	Very low	33.1	Very low	114 Å²	114	163.8 Å²	163.8	80%	0.797	83%	0.833	S	S	*	*	S	Bend	trans	-161.5	8.2	168.4	-77.7	0	0	0	0	115.4
300	R	36	Very low	33.2	Very low	238 Å²	238	165.5 Å²	165.5	90%	0.898	83%	0.828	S	S	*	*	S	Bend	trans	-123.7	5.1	-172.4	-76.2	-170	177.6	-176.2	0.1	118.2
301	H	38.1	Very low	33.1	Very low	196 Å²	196	162.7 Å²	162.7	91%	0.907	82%	0.815	S	S	*	*	S	Bend	trans	-105.7	10.5	179.4	-113	-78.8	0	0	0	116.9
302	R	36.8	Very low	33.2	Very low	247 Å²	247	168 Å²	168	93%	0.932	82%	0.822	S	S	*	*	S	Bend	trans	-108.3	34.8	-179.6	-150	-173.9	-158.2	-179.4	7.3	115
303	K	32.7	Very low	33.1	Very low	200 Å²	200	163.8 Å²	163.8	87%	0.87	81%	0.814	S	S	*	*	S	Bend	trans	-135.1	16.8	-175	-88.1	-168.5	178.5	179.6	0	118
304	L	32.5	Very low	33.1	Very low	157 Å²	157	163.5 Å²	163.5	82%	0.822	81%	0.812	S	S	*	*	S	Bend	trans	-118.8	-0.3	-177.8	-77	168.4	0	0	0	118.2
305	Y	31.8	Very low	33.1	Very low	237 Å²	237	163.8 Å²	163.8	93%	0.929	81%	0.814	S	S	*	*	S	Bend	trans	-142.6	80.9	173.6	-75.3	-86.1	0	0	0	111.9
306	A	35.2	Very low	32.8	Very low	105 Å²	105	168 Å²	168	87%	0.868	82%	0.818	S	S	*	*			trans	177.7	77.7	153.8	0	0	0	0	0	109.4
307	K	31.3	Very low	32.7	Very low	207 Å²	207	165.6 Å²	165.6	90%	0.9	82%	0.819	S	S	*	*			trans	-97	105.8	159.6	-98.9	-176	176.5	176.8	0	106.8
308	K	32.9	Very low	32.4	Very low	178 Å²	178	169.9 Å²	169.9	77%	0.774	82%	0.823	S	S	*	*			trans	177.1	124.9	142.9	-108.8	-179.2	174.6	-179.8	0	112.5
309	H	34.3	Very low	32.3	Very low	147 Å²	147	166.8 Å²	166.8	68%	0.681	83%	0.825	S	S	*	*			trans	68	139.2	157.1	-58.5	-69.8	0	0	0	116.6
310	Q	29.7	Very low	31.8	Very low	154 Å²	154	168.9 Å²	168.9	72%	0.72	83%	0.827	S	S	*	*			cis	-175.7	138.3	-4.8	-171	146.6	-16.9	0	0	107.2
311	S	30.4	Very low	31.7	Very low	92 Å²	92	165.7 Å²	165.7	64%	0.643	82%	0.822	S	S	*	*			trans	53.1	130	148.7	60.1	0	0	0	0	125
312	Q	33.1	Very low	31.2	Very low	178 Å²	178	164.9 Å²	164.9	83%	0.832	82%	0.819	S	S	*	*			trans	71	137.3	136.4	-76.9	178.1	-10.6	0	0	117.6
313	T	30.8	Very low	31	Very low	122 Å²	122	159.1 Å²	159.1	75%	0.748	81%	0.806	S	S	*	*			cis	-172.9	147.1	23.1	-9.9	0	0	0	0	110.4
314	S	28.5	Very low	31	Very low	99 Å²	99	156.3 Å²	156.3	69%	0.692	80%	0.801	S	S	*	*			trans	38.9	134.2	140.5	-138	0	0	0	0	121.4
315	L	31.9	Very low	30.9	Very low	168 Å²	168	151.8 Å²	151.8	88%	0.88	79%	0.792	S	S	*	*				-172.4	153.6	64.6	-88.6	161	0	0	0	111.5
316	K	27.2	Very low	30.8	Very low	197 Å²	197	153.4 Å²	153.4	86%	0.857	80%	0.797	S	S	*	*			trans	-80.5	150.3	175.5	-71.7	172.3	167.9	-177.3	0	113.2
317	V	31.4	Very low	30.7	Very low	141 Å²	141	158 Å²	158	86%	0.855	80%	0.797	S	S	*	*			trans	-149.6	123.7	140.2	179.6	0	0	0	0	109.4
318	E	26	Very low	30.5	Very low	187 Å²	187	153.4 Å²	153.4	87%	0.874	79%	0.791	S	S	*	*			trans	-105.6	135.9	162.4	-79.1	176.1	145.7	0	0	107.7
319	T	30.4	Very low	30.2	Very low	139 Å²	139	153.2 Å²	153.2	85%	0.853	80%	0.795	S	S	*	*			trans	-153.5	134	147.5	-37.4	0	0	0	0	110.4
320	L	26	Very low	30.1	Very low	158 Å²	158	150.5 Å²	150.5	83%	0.827	79%	0.793	S	S	*	*			trans	-88.5	162.4	180	-151.6	91.4	0	0	0	110
321	E	33.9	Very low	30	Very low	170 Å²	170	153 Å²	153	79%	0.794	80%	0.804	S	S	*	*			trans	133.5	102.3	155.1	-73.6	-177.5	175.2	0	0	111.5
322	Q	28.7	Very low	29.9	Very low	180 Å²	180	155.9 Å²	155.9	84%	0.841	81%	0.808	S	S	*	*				67	106.9	88.3	-98.7	-177.6	3	0	0	113.3
323	D	31.6	Very low	29.7	Very low	126 Å²	126	155.5 Å²	155.5	67%	0.674	81%	0.805	S	S	*	*				151.4	150.2	95.5	-157.6	18.2	0	0	0	112.6
324	N	34.2	Very low	29.6	Very low	141 Å²	141	158.1 Å²	158.1	75%	0.754	81%	0.814	S	S	*	*			trans	71.1	117.5	165.7	-52	-52.4	0	0	0	117
325	G	30.1	Very low	29.7	Very low	62 Å²	62	160.8 Å²	160.8	64%	0.639	82%	0.82	S	S	*	*			cis	133.7	101.9	18.9	0	0	0	0	0	107.6
326	W	29.8	Very low	29.4	Very low	270 Å²	270	156 Å²	156	100%	1.023	81%	0.812	S	S	*	*			trans	-151.9	142.4	151.2	-88.4	-16.5	0	0	0	110.7
327	K	31.7	Very low	29.6	Very low	202 Å²	202	152.8 Å²	152.8	88%	0.878	80%	0.804	S	S	*	*			trans	-88.4	149.4	-156.4	-73.9	170	168	172.6	0	111.4
328	S	28.7	Very low	29.7	Very low	111 Å²	111	152 Å²	152	78%	0.776	80%	0.8	S	S	*	*			trans	66.4	106.7	138.9	-168.8	0	0	0	0	117.2
329	M	26.4	Very low	30.1	Very low	173 Å²	173	150.2 Å²	150.2	85%	0.852	80%	0.795	S	S	*	*				-164.5	141.4	102.5	-97.7	-170.6	70.2	0	0	110.8
330	S	30.9	Very low	30.4	Very low	91 Å²	91	146.4 Å²	146.4	64%	0.636	77%	0.774	S	S	*	*			trans	-58.8	133.7	-174.2	39.4	0	0	0	0	113.9	E332	S330-E332 PolarHBondContact O-N 2.99Å
331	Q	27.8	Very low	30.7	Very low	206 Å²	206	146.5 Å²	146.5	96%	0.963	77%	0.77	S	S	*	*			trans	-82.4	85.7	174.3	-164.4	174.1	18.9	0	0	109.1
332	E	29.5	Very low	30.8	Very low	153 Å²	153	144 Å²	144	72%	0.715	76%	0.762	S	S	*	*			trans	-104.1	129.2	168.4	-69.3	-170.6	157.1	0	0	110	S330	S330-E332 PolarHBondContact O-N 2.99Å
333	H	28.2	Very low	31.3	Very low	169 Å²	169	142.9 Å²	142.9	78%	0.782	76%	0.757	S	S	*	*			trans	36.5	90.2	154.8	-62.7	113.6	0	0	0	118.6
334	L	28.6	Very low	31.5	Very low	178 Å²	178	145.3 Å²	145.3	93%	0.932	76%	0.761	S	S	*	*			trans	-102.1	74.8	153.3	-67.8	176.5	0	0	0	109.4
335	N	29.9	Very low	31.6	Very low	154 Å²	154	144 Å²	144	82%	0.824	76%	0.758	S	S	*	*			trans	-95.6	128	157.6	-113.6	0.6	0	0	0	106.9
336	G	27.4	Very low	31.9	Very low	68 Å²	68	149.9 Å²	149.9	70%	0.701	77%	0.766	S	S	*	*	S	Bend	trans	45.4	95	159.2	0	0	0	0	0	118.8
337	N	31.4	Very low	31.9	Very low	129 Å²	129	146.1 Å²	146.1	69%	0.69	75%	0.753	S	S	*	*			trans	-179.7	25.6	143	-102.6	-20.3	0	0	0	116.2	S340	N337-S340 PolarHBondContact O-OG 2.73Å; N337-S340 PolarHBondContact OD1-OG 3.42Å
338	V	32.6	Very low	31.9	Very low	126 Å²	126	145.4 Å²	145.4	76%	0.764	75%	0.753	S	S	*	*	S	Bend	trans	-92.7	5.8	-177.5	-173.9	0	0	0	0	113.9
339	L	35.3	Very low	32.1	Very low	148 Å²	148	147.4 Å²	147.4	78%	0.775	75%	0.754	S	S	*	*	S	Bend	trans	-108.4	-9.3	170.2	-84.1	163	0	0	0	114.2
340	S	35.1	Very low	32.3	Very low	60 Å²	60	144.9 Å²	144.9	42%	0.42	75%	0.75	S	S	.	*	S	Bend	trans	-94	6.1	179.7	54.7	0	0	0	0	114.5	N337	N337-S340 PolarHBondContact O-OG 2.73Å; N337-S340 PolarHBondContact OD1-OG 3.42Å
341	Q	33.4	Very low	32.3	Very low	159 Å²	159	146 Å²	146	74%	0.743	77%	0.765	S	S	*	*	S	Bend	trans	-117.1	-2.6	173.9	-70.3	-166.5	-19.3	0	0	114.4
342	L	35.8	Very low	32.4	Very low	119 Å²	119	139.7 Å²	139.7	62%	0.623	76%	0.756	S	S	*	*	S	Bend	trans	-91.9	-8	172.9	-79.2	160.5	0	0	0	113.4
343	E	38.2	Very low	32.5	Very low	156 Å²	156	143.1 Å²	143.1	73%	0.729	76%	0.762	S	S	*	*	T	Hydrogen-bonded Turn	trans	-89.2	-0.9	175.1	-75.3	-178.4	148.7	0	0	114.3
344	K	36.8	Very low	32.6	Very low	177 Å²	177	144.1 Å²	144.1	77%	0.77	77%	0.767	S	S	*	*	T	Hydrogen-bonded Turn	trans	-108.7	11.3	179.2	-73.5	-176.2	177.7	177.7	0	114.9
345	V	36.7	Very low	33.3	Very low	113 Å²	113	144.8 Å²	144.8	69%	0.685	77%	0.765	S	S	*	*	S	Bend	trans	-109.9	4.7	-179.5	-169.5	0	0	0	0	112.9
346	F	35.1	Very low	34.3	Very low	185 Å²	185	143.8 Å²	143.8	81%	0.811	76%	0.759	S	S	*	*	S	Bend	trans	-102.3	4.3	176.1	-85.6	-78.8	0	0	0	115.5
347	Y	29.4	Very low	35.7	Very low	192 Å²	192	141.9 Å²	141.9	75%	0.753	74%	0.737	S	S	*	*	S	Bend	trans	-95.1	103.6	168.6	-74	-82.7	0	0	0	108.9
348	H	32.2	Very low	38	Very low	186 Å²	186	140.9 Å²	140.9	86%	0.861	73%	0.728	S	S	*	*			trans	141	69.4	161.5	-69.7	-49.1	0	0	0	110.5
349	L	34	Very low	41	Very low	154 Å²	154	135.1 Å²	135.1	81%	0.806	69%	0.693	S	S	*	*			trans	-120.3	141.1	153.3	-107.9	92.3	0	0	0	110
350	P	30.5	Very low	44	Very low	119 Å²	119	129.1 Å²	129.1	77%	0.773	66%	0.661	S	S	*	*			trans	-74.8	146	-167.2	-2.5	20	0	0	0	111.4	G352	P350-G352 PolarHBondContact O-N 2.89Å; P350-G352 VanDerWaalsContact O-N 3.1Å
351	A	30.9	Very low	47	Very low	115 Å²	115	126.5 Å²	126.5	95%	0.95	64%	0.642	S	S	*	*	S	Bend	trans	-53	111	169.8	0	0	0	0	0	110.7
352	G	30.1	Very low	50.1	Low	74 Å²	74	120.2 Å²	120.2	76%	0.763	61%	0.612	S	S	*	*			trans	159.4	32.7	179.9	0	0	0	0	0	116.5	P350	P350-G352 PolarHBondContact O-N 2.89Å; P350-G352 VanDerWaalsContact O-N 3.1Å
353	R	31.4	Very low	53.1	Low	224 Å²	224	114.6 Å²	114.6	85%	0.845	58%	0.582	S	S	*	*			trans	-128.1	123.1	165.3	-92.8	-174.5	-176.2	-177.3	2	109.3	E355	R353-E355 PolarHBondContact O-N 3.37Å
354	Q	30.3	Very low	56	Low	191 Å²	191	108.5 Å²	108.5	89%	0.893	56%	0.555	S	S	*	*			trans	-52.4	104.1	165.6	-157.8	160.9	-1.5	0	0	106.8	I356	Q354-I356 PolarHBondContact O-N 2.91Å
355	E	43.5	Very low	58.8	Low	191 Å²	191	102 Å²	102	89%	0.893	53%	0.528	S	S	*	.			trans	-58	106.5	179.7	-84.6	178.8	165.1	0	0	107.6	R353 A357	R353-E355 PolarHBondContact O-N 3.37Å; E355-A357 PolarHBondContact O-N 3.05Å; E355-A357 VanDerWaalsContact O-N 3.14Å
356	I	49.6	Very low	61.7	Low	133 Å²	133	96.6 Å²	96.6	68%	0.682	50%	0.496	S	S	*	.			trans	-62.6	118	172.1	-63	173	0	0	0	105	Q354 E358	Q354-I356 PolarHBondContact O-N 2.91Å; I356-E358 PolarHBondContact O-N 2.96Å
357	A	58.1	Low	64.7	Low	29 Å²	29	87.9 Å²	87.9	24%	0.24	46%	0.457	C	S	.	.			trans	-43.7	125.5	178.5	0	0	0	0	0	110.6	D207 E355 A359	D207-A357 HydrophobicContact CB-CB 3.7Å; D207-A357 WeakPolarHBondContact OD2-CB 3.47Å; E355-A357 PolarHBondContact O-N 3.05Å; E355-A357 VanDerWaalsContact O-N 3.14Å; A357-A359 PolarHBondContact O-N 2.78Å
358	E	79.6	Confident	67.9	Low	108 Å²	108	80.3 Å²	80.3	51%	0.505	43%	0.429	S	S	.	.			trans	-74.5	101.1	-172.7	-62.2	-165.7	154.4	0	0	109.9	F120 I356	F120-E358 HydrophobicContact CE1-CB 3.97Å; F120-E358 WeakPolarHBondContact CE1-O 3.43Å; I356-E358 PolarHBondContact O-N 2.96Å
359	A	95.3	Very high	71.1	Confident	4 Å²	4	72 Å²	72	3%	0.033	39%	0.391	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-117.5	149.9	163.4	0	0	0	0	0	109.7	A211 K215 V239 A357	A211-A359 HydrophobicContact CB-CB 3.72Å; K215-A359 WeakPolarHBondContact CE-O 3.35Å; K215-A359 PolarHBondContact NZ-O 3.45Å; V239-A359 CarbonylContact O-C 3.57Å; V239-A359 VanDerWaalsContact O-CA 3.27Å; V239-A359 WeakPolarHBondContact O-CA 3.48Å; A357-A359 PolarHBondContact O-N 2.78Å
360	E	97.5	Very high	74.1	Confident	23 Å²	23	65.7 Å²	65.7	11%	0.107	36%	0.357	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-120.6	142.3	167.5	-72.2	-58.3	150.4	0	0	110	V116 K119 F120 K215 F238 V239 R362	V116-E360 HydrophobicContact CG1-CB 3.8Å; V116-E360 HydrophobicContact CG1-CG 4.27Å; K119-E360 VanDerWaalsContact CE-CG 3.47Å; K119-E360 IonicContact NZ-OE1 2.69Å; K119-E360 PolarHBondContact NZ-OE1 3.17Å; F120-E360 HydrophobicContact CE2-CB 4.39Å; F120-E360 HydrophobicContact CE2-CG 3.98Å; F120-E360 HydrophobicContact CZ-CB 4.42Å; F120-E360 HydrophobicContact CZ-CG 3.99Å; K215-E360 IonicContact NZ-OE1 3.6Å; K215-E360 PolarHBondContact NZ-OE1 3.31Å; K215-E360 VanDerWaalsContact NZ-OE1 3.12Å; K215-E360 IonicContact NZ-OE2 2.73Å; K215-E360 PolarHBondContact NZ-OE2 3.4Å; F238-E360 CarbonylContact C-O 3.53Å; F238-E360 WeakPolarHBondContact CA-O 3.12Å; V239-E360 HydrophobicContact CB-CB 4.34Å; V239-E360 PolarHBondContact N-O 3.4Å; V239-E360 PolarHBondContact O-N 3.19Å; E360-R362 IonicContact OE2-NE 2.88Å
361	V	98.5	Very high	77.3	Confident	4 Å²	4	65.6 Å²	65.6	2%	0.024	36%	0.357	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-135.7	115.7	169.5	-174.8	0	0	0	0	106.5	K215 V216 I219 L236 L237 F238	K215-V361 HydrophobicContact CB-CB 3.76Å; K215-V361 HydrophobicContact CB-CG2 3.81Å; K215-V361 HydrophobicContact CD-CB 4.23Å; K215-V361 HydrophobicContact CD-CG2 4.2Å; V216-V361 HydrophobicContact CG2-CG1 4.07Å; I219-V361 HydrophobicContact CD1-CG1 4.05Å; L236-V361 HydrophobicContact CB-CG1 4.09Å; L236-V361 HydrophobicContact CD1-CG1 4.11Å; L236-V361 HydrophobicContact CD2-CG1 4.38Å; L236-V361 HydrophobicContact CG-CG1 4.43Å; L237-V361 VanDerWaalsContact O-CA 3.31Å; L237-V361 WeakPolarHBondContact O-CA 3.11Å; F238-V361 HydrophobicContact CD1-CB 4.5Å; F238-V361 HydrophobicContact CD1-CG1 4.26Å; F238-V361 HydrophobicContact CD1-CG2 3.51Å; F238-V361 HydrophobicContact CE1-CB 4.47Å; F238-V361 HydrophobicContact CE1-CG1 3.94Å; F238-V361 HydrophobicContact CE1-CG2 3.62Å; F238-V361 HydrophobicContact CE2-CG1 4.35Å; F238-V361 HydrophobicContact CG-CG2 4.28Å; F238-V361 HydrophobicContact CZ-CG1 3.98Å; F238-V361 HydrophobicContact CZ-CG2 4.48Å
362	R	98.5	Very high	80.5	Confident	28 Å²	28	61 Å²	61	11%	0.106	32%	0.318	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-125.5	140.1	-179.6	-62.2	-65.4	-172.4	86.5	17.4	110.7	H92 L93 P94 E114 V116 L236 L237 E360	H92-R362 CarbonylContact O-C 3.38Å; H92-R362 VanDerWaalsContact O-CA 3.27Å; H92-R362 WeakPolarHBondContact O-CA 3.33Å; L93-R362 PolarHBondContact O-NH1 3.23Å; P94-R362 HydrophobicContact CG-CB 4.48Å; E114-R362 IonicContact OE1-CZ 2.81Å; E114-R362 IonicContact OE1-NH1 3.81Å; E114-R362 IonicContact OE1-NH2 3.41Å; E114-R362 PolarHBondContact OE1-NH2 2.91Å; E114-R362 IonicContact OE2-CZ 2.57Å; E114-R362 IonicContact OE2-NH1 2.7Å; E114-R362 PolarHBondContact OE2-NH1 2.8Å; E114-R362 IonicContact OE2-NH2 3.12Å; E114-R362 PolarHBondContact OE2-NH2 3.43Å; V116-R362 HydrophobicContact CG1-CG 3.74Å; V116-R362 HydrophobicContact CG2-CB 4.29Å; V116-R362 HydrophobicContact CG2-CG 3.85Å; L236-R362 CarbonylContact C-O 3.05Å; L236-R362 WeakPolarHBondContact CA-O 3.42Å; L237-R362 PolarHBondContact N-O 3.33Å; L237-R362 PolarHBondContact O-N 3.1Å; L237-R362 VanDerWaalsContact O-N 3.07Å; E360-R362 IonicContact OE2-NE 2.88Å
363	M	98.8	Very high	83.7	Confident	0 Å²	0	65.1 Å²	65.1	0%	0	32%	0.322	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-72.1	135	168.3	-61.9	168.3	63.9	0	0	109.4	L89 H92 L93 P94 I219 F223 F231 S235 L236 F366	L89-M363 HydrophobicContact CD1-CE 4.23Å; L89-M363 HydrophobicContact CD1-SD 3.92Å; H92-M363 HydrophobicContact CB-SD 4.13Å; H92-M363 PolarHBondContact O-N 3.35Å; L93-M363 HydrophobicContact CD1-CB 4.05Å; L93-M363 HydrophobicContact CD1-SD 4.29Å; P94-M363 WeakPolarHBondContact CD-O 3.36Å; I219-M363 HydrophobicContact CD1-CG 4.18Å; I219-M363 HydrophobicContact CG2-CG 4.14Å; I219-M363 HydrophobicContact CG2-SD 3.79Å; F223-M363 HydrophobicContact CE2-CE 3.41Å; F223-M363 VanDerWaalsContact CE2-CE 3.41Å; F223-M363 HydrophobicContact CE2-SD 3.88Å; F223-M363 HydrophobicContact CZ-CE 3.51Å; F231-M363 HydrophobicContact CD1-CE 3.92Å; F231-M363 HydrophobicContact CE1-CE 3.68Å; F231-M363 HydrophobicContact CE2-CE 4.49Å; F231-M363 HydrophobicContact CG-CE 4.45Å; F231-M363 HydrophobicContact CZ-CE 4Å; S235-M363 CarbonylContact O-C 3.25Å; S235-M363 WeakPolarHBondContact O-CA 3.15Å; L236-M363 HydrophobicContact CD2-CB 4.28Å; L236-M363 HydrophobicContact CD2-CG 3.53Å; M363-F366 HydrophobicContact CB-CE1 3.89Å; M363-F366 HydrophobicContact CB-CZ 3.69Å; M363-F366 HydrophobicContact CE-CE1 4.28Å; M363-F366 WeakPolarHBondContact O-CZ 3.43Å
364	I	98.2	Very high	86.8	Confident	29 Å²	29	58.3 Å²	58.3	15%	0.149	31%	0.305	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-140.6	166.6	-179.5	61.6	162.3	0	0	0	111.5	P94 S234 S235 L237	P94-I364 HydrophobicContact CG-CG2 3.87Å; S234-I364 WeakPolarHBondContact CB-O 3.46Å; S235-I364 PolarHBondContact N-O 3Å; S235-I364 PolarHBondContact O-N 3.07Å; L237-I364 HydrophobicContact CB-CD1 3.86Å; L237-I364 HydrophobicContact CB-CG1 4.21Å; L237-I364 HydrophobicContact CB-CG2 4.21Å; L237-I364 HydrophobicContact CD1-CD1 4.23Å; L237-I364 HydrophobicContact CG-CD1 4.45Å
365	D	96.6	Very high	90	Very high	40 Å²	40	51.2 Å²	51.2	21%	0.214	28%	0.275	C	S	.	.			trans	66.9	75.6	174.2	-154.3	28.3	0	0	0	114.7	K58 S234 A367	K58-D365 IonicContact NZ-OD1 3.27Å; K58-D365 PolarHBondContact NZ-OD1 2.87Å; S234-D365 WeakPolarHBondContact CA-O 3.27Å; S234-D365 VanDerWaalsContact CB-O 3.23Å; S234-D365 WeakPolarHBondContact CB-O 3.38Å; D365-A367 PolarHBondContact O-N 2.88Å
366	F	97.9	Very high	92.6	Very high	0 Å²	0	42.4 Å²	42.4	0%	0	23%	0.234	C	C	.	.			trans	-99.5	23.5	-170.5	-52.7	-65.6	0	0	0	114.2	E69 F72 Y73 L93 F231 M363 H368 V369	E69-F366 HydrophobicContact CG-CB 4.12Å; E69-F366 PolarHBondContact OE1-N 3.08Å; F72-F366 HydrophobicContact CB-CB 4.35Å; F72-F366 HydrophobicContact CD1-CB 3.38Å; F72-F366 HydrophobicContact CD1-CD1 4.27Å; F72-F366 AromaticContact CD1-CD2 3.57Å; F72-F366 HydrophobicContact CD1-CD2 3.57Å; F72-F366 HydrophobicContact CD1-CE2 4.38Å; F72-F366 AromaticContact CD1-CG 3.48Å; F72-F366 HydrophobicContact CD1-CG 3.48Å; F72-F366 VanDerWaalsContact CD1-CG 3.48Å; F72-F366 HydrophobicContact CE1-CB 3.72Å; F72-F366 AromaticContact CE1-CD1 3.69Å; F72-F366 HydrophobicContact CE1-CD1 3.69Å; F72-F366 AromaticContact CE1-CD2 3.24Å; F72-F366 HydrophobicContact CE1-CD2 3.24Å; F72-F366 HydrophobicContact CE1-CE1 4.05Å; F72-F366 AromaticContact CE1-CE2 3.64Å; F72-F366 HydrophobicContact CE1-CE2 3.64Å; F72-F366 AromaticContact CE1-CG 3.24Å; F72-F366 HydrophobicContact CE1-CG 3.24Å; F72-F366 HydrophobicContact CE1-CZ 4Å; F72-F366 HydrophobicContact CG-CB 3.84Å; F72-F366 HydrophobicContact CG-CG 4.3Å; F72-F366 HydrophobicContact CZ-CB 4.4Å; F72-F366 AromaticContact CZ-CD1 3.87Å; F72-F366 HydrophobicContact CZ-CD1 3.87Å; F72-F366 HydrophobicContact CZ-CD2 4.22Å; F72-F366 HydrophobicContact CZ-CE1 4.11Å; F72-F366 HydrophobicContact CZ-CE2 4.43Å; F72-F366 AromaticContact CZ-CG 3.9Å; F72-F366 HydrophobicContact CZ-CG 3.9Å; F72-F366 HydrophobicContact CZ-CZ 4.36Å; Y73-F366 HydrophobicContact CD2-CD2 4.45Å; Y73-F366 HydrophobicContact CE1-CD2 4.32Å; Y73-F366 HydrophobicContact CE1-CE2 4.18Å; Y73-F366 AromaticContact CE2-CD2 3.67Å; Y73-F366 HydrophobicContact CE2-CD2 3.67Å; Y73-F366 HydrophobicContact CE2-CE2 4.24Å; Y73-F366 AromaticContact CZ-CD2 3.6Å; Y73-F366 AromaticContact CZ-CE2 3.67Å; Y73-F366 WeakPolarHBondContact OH-CE2 3.23Å; L93-F366 HydrophobicContact CD1-CZ 3.86Å; L93-F366 HydrophobicContact CD2-CE2 4.08Å; L93-F366 HydrophobicContact CD2-CZ 4.16Å; L93-F366 HydrophobicContact CG-CE2 3.78Å; L93-F366 HydrophobicContact CG-CZ 3.61Å; F231-F366 AromaticContact CD1-CD1 3.87Å; F231-F366 HydrophobicContact CD1-CD1 3.87Å; F231-F366 HydrophobicContact CD1-CE1 4.05Å; F231-F366 AromaticContact CE1-CD1 3.72Å; F231-F366 HydrophobicContact CE1-CD1 3.72Å; F231-F366 AromaticContact CE1-CE1 3.77Å; F231-F366 HydrophobicContact CE1-CE1 3.77Å; M363-F366 HydrophobicContact CB-CE1 3.89Å; M363-F366 HydrophobicContact CB-CZ 3.69Å; M363-F366 HydrophobicContact CE-CE1 4.28Å; M363-F366 WeakPolarHBondContact O-CZ 3.43Å; F366-H368 PolarHBondContact O-N 2.98Å; F366-H368 VanDerWaalsContact O-N 3.09Å; F366-V369 HydrophobicContact CB-CG2 3.69Å; F366-V369 HydrophobicContact CD1-CG2 3.83Å; F366-V369 HydrophobicContact CG-CG2 4.24Å
367	A	96.8	Very high	95	Very high	1 Å²	1	43.5 Å²	43.5	1%	0.008	24%	0.236	C	C	.	.	T	Hydrogen-bonded Turn	trans	-63.5	-13.8	179.9	0	0	0	0	0	114.6	R65 R68 D365	R65-A367 HydrophobicContact CB-CB 3.87Å; R65-A367 HydrophobicContact CG-CB 4.22Å; R68-A367 WeakPolarHBondContact CD-O 3.45Å; R68-A367 PolarHBondContact NH1-O 3.37Å; D365-A367 PolarHBondContact O-N 2.88Å
368	H	97.6	Very high	96.9	Very high	34 Å²	34	43 Å²	43	16%	0.157	24%	0.235	C	C	.	.	T	Hydrogen-bonded Turn	trans	-135.8	43	-175.9	-60	-88.5	0	0	0	111.6	R65 D136 Y232 F366 F370	R65-H368 WeakPolarHBondContact CD-NE2 3.44Å; D136-H368 HydrophobicContact CB-CB 4.32Å; D136-H368 IonicContact OD2-CE1 2.65Å; D136-H368 PolarHBondContact OD2-CE1 3.23Å; D136-H368 IonicContact OD2-CG 3.79Å; D136-H368 IonicContact OD2-ND1 3.8Å; D136-H368 PolarHBondContact OD2-ND1 3.25Å; Y232-H368 PolarHBondContact N-O 3.28Å; Y232-H368 VanDerWaalsContact O-CB 3.3Å; Y232-H368 WeakPolarHBondContact O-CB 3.47Å; F366-H368 PolarHBondContact O-N 2.98Å; F366-H368 VanDerWaalsContact O-N 3.09Å; H368-F370 VanDerWaalsContact C-CE2 3.46Å; H368-F370 HydrophobicContact CB-CE2 4.06Å; H368-F370 WeakPolarHBondContact O-CD2 3.36Å; H368-F370 WeakPolarHBondContact O-CE2 3.36Å
369	V	98.3	Very high	97.8	Very high	10 Å²	10	38 Å²	38	6%	0.061	21%	0.211	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-94.8	135.3	170	-176.1	0	0	0	0	109.8	R68 F72 L229 N230 F231 F366	R68-V369 WeakPolarHBondContact CD-O 3.36Å; F72-V369 HydrophobicContact CD2-CB 3.99Å; F72-V369 HydrophobicContact CD2-CG1 3.76Å; F72-V369 HydrophobicContact CD2-CG2 4.22Å; F72-V369 HydrophobicContact CE2-CB 4.37Å; F72-V369 HydrophobicContact CE2-CG1 3.86Å; F72-V369 HydrophobicContact CE2-CG2 4.3Å; L229-V369 HydrophobicContact CB-CG1 4.31Å; L229-V369 HydrophobicContact CD2-CG1 3.98Å; N230-V369 WeakPolarHBondContact O-CA 3.47Å; F231-V369 HydrophobicContact CD1-CB 4.37Å; F231-V369 HydrophobicContact CD1-CG1 4.11Å; F231-V369 HydrophobicContact CD1-CG2 3.35Å; F231-V369 HydrophobicContact CD2-CG1 4.41Å; F231-V369 HydrophobicContact CE1-CB 4.47Å; F231-V369 HydrophobicContact CE1-CG1 3.94Å; F231-V369 HydrophobicContact CE1-CG2 3.62Å; F231-V369 HydrophobicContact CE2-CG1 4.28Å; F231-V369 HydrophobicContact CG-CG1 4.33Å; F231-V369 HydrophobicContact CG-CG2 4.05Å; F231-V369 HydrophobicContact CZ-CG1 4.04Å; F366-V369 HydrophobicContact CB-CG2 3.69Å; F366-V369 HydrophobicContact CD1-CG2 3.83Å; F366-V369 HydrophobicContact CG-CG2 4.24Å
370	F	98.2	Very high	97.9	Very high	22 Å²	22	38.4 Å²	38.4	10%	0.096	21%	0.213	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-132.6	145.6	-176.4	-62.9	-91.8	0	0	0	111.2	D136 F138 L229 N230 Y232 H368	D136-F370 HydrophobicContact CB-CD2 4.36Å; D136-F370 HydrophobicContact CB-CE2 3.41Å; D136-F370 VanDerWaalsContact CB-CE2 3.41Å; D136-F370 HydrophobicContact CB-CZ 3.79Å; F138-F370 HydrophobicContact CD2-CD1 4.03Å; F138-F370 AromaticContact CD2-CE1 3.44Å; F138-F370 HydrophobicContact CD2-CE1 3.44Å; F138-F370 VanDerWaalsContact CD2-CE1 3.44Å; F138-F370 AromaticContact CD2-CZ 3.96Å; F138-F370 HydrophobicContact CD2-CZ 3.96Å; F138-F370 AromaticContact CE2-CD1 3.57Å; F138-F370 HydrophobicContact CE2-CD1 3.57Å; F138-F370 AromaticContact CE2-CE1 3.46Å; F138-F370 HydrophobicContact CE2-CE1 3.46Å; F138-F370 VanDerWaalsContact CE2-CE1 3.46Å; F138-F370 HydrophobicContact CE2-CG 4.49Å; F138-F370 HydrophobicContact CE2-CZ 4.34Å; L229-F370 WeakPolarHBondContact CA-O 3.29Å; N230-F370 PolarHBondContact N-O 2.86Å; N230-F370 PolarHBondContact O-N 3.4Å; Y232-F370 AromaticContact CD2-CD2 3.79Å; Y232-F370 HydrophobicContact CD2-CD2 3.79Å; Y232-F370 HydrophobicContact CD2-CE2 4.2Å; Y232-F370 HydrophobicContact CE2-CD2 4.1Å; H368-F370 VanDerWaalsContact C-CE2 3.46Å; H368-F370 HydrophobicContact CB-CE2 4.06Å; H368-F370 WeakPolarHBondContact O-CD2 3.36Å; H368-F370 WeakPolarHBondContact O-CE2 3.36Å
371	P	97.7	Very high	98	Very high	118 Å²	118	41.7 Å²	41.7	77%	0.766	23%	0.225	S	C	*	.	E	Extended strand (participates in β ladder)	trans	-55.4	144.1	166.2	-22.4	33.3	0	0	0	111.2	Q228	Q228-P371 CarbonylContact O-C 3.49Å; Q228-P371 VanDerWaalsContact O-CA 3.3Å; Q228-P371 WeakPolarHBondContact O-CA 3.39Å
372	S	97.4	Very high	98	Very high	19 Å²	19	41.5 Å²	41.5	13%	0.133	22%	0.224	C	C	.	.			trans	-142.2	164.5	-178.4	-174.2	0	0	0	0	110.2	K227 Q228 N230 T374	K227-S372 CarbonylContact O-C 3.56Å; Q228-S372 WeakPolarHBondContact CA-O 3.36Å; Q228-S372 PolarHBondContact O-N 3.07Å; N230-S372 PolarHBondContact ND2-OG 3.1Å; N230-S372 VanDerWaalsContact OD1-CB 3.24Å; N230-S372 WeakPolarHBondContact OD1-CB 3.34Å; N230-S372 PolarHBondContact OD1-OG 2.78Å; S372-T374 PolarHBondContact OG-N 3.45Å; S372-T374 PolarHBondContact OG-O 2.98Å; S372-T374 VanDerWaalsContact OG-O 3.13Å; S372-T374 PolarHBondContact OG-OG1 2.99Å
373	N	97.1	Very high	98	Very high	159 Å²	159	40.2 Å²	40.2	85%	0.85	22%	0.219	S	C	*	.	S	Bend	trans	-120	8.1	167.1	-66.2	-44.6	0	0	0	111.5	K227	K227-N373 CarbonylContact O-C 3.59Å; K227-N373 WeakPolarHBondContact O-CA 3.46Å; K227-N373 PolarHBondContact O-N 3.34Å
374	T	97.4	Very high	98	Very high	81 Å²	81	45 Å²	45	50%	0.497	24%	0.24	S	C	.	.	S	Bend	trans	-124.5	161.9	-178	68.6	0	0	0	0	110.2	K227 N230 S372	K227-T374 CarbonylContact C-O 3.46Å; K227-T374 WeakPolarHBondContact CA-O 3.46Å; K227-T374 PolarHBondContact O-N 3.03Å; N230-T374 PolarHBondContact OD1-O 3.1Å; S372-T374 PolarHBondContact OG-N 3.45Å; S372-T374 PolarHBondContact OG-O 2.98Å; S372-T374 VanDerWaalsContact OG-O 3.13Å; S372-T374 PolarHBondContact OG-OG1 2.99Å
375	V	97.8	Very high	98	Very high	42 Å²	42	46 Å²	46	26%	0.255	24%	0.244	S	C	.	.			trans	-63.6	144.3	166.9	179.2	0	0	0	0	108.6	K227 E377 V380	K227-V375 HydrophobicContact CD-CG2 4.41Å; K227-V375 HydrophobicContact CG-CG2 3.87Å; V375-E377 PolarHBondContact O-N 3.36Å; V375-V380 HydrophobicContact CG1-CG2 3.92Å
376	D	98.4	Very high	98.1	Very high	7 Å²	7	44.1 Å²	44.1	4%	0.037	23%	0.234	C	C	.	.			trans	-77.7	77.2	170.3	-167.4	-19.2	0	0	0	110.5	F223 N230 F231 G378 Y379 V380	F223-D376 HydrophobicContact CD1-CB 4.04Å; F223-D376 HydrophobicContact CE1-CB 4.12Å; N230-D376 WeakPolarHBondContact CA-OD2 3.23Å; N230-D376 HydrophobicContact CB-CB 4.43Å; F231-D376 PolarHBondContact N-OD2 3.01Å; D376-G378 PolarHBondContact O-N 3.17Å; D376-G378 PolarHBondContact OD1-N 2.87Å; D376-Y379 PolarHBondContact O-N 2.92Å; D376-Y379 VanDerWaalsContact O-N 3.17Å; D376-Y379 WeakPolarHBondContact OD1-CB 3.29Å; D376-Y379 PolarHBondContact OD1-N 3.03Å; D376-Y379 WeakPolarHBondContact OD2-CB 3.49Å; D376-V380 WeakPolarHBondContact O-CG2 3.47Å; D376-V380 PolarHBondContact O-N 3.06Å
377	E	98.2	Very high	98.2	Very high	155 Å²	155	44.4 Å²	44.4	72%	0.724	24%	0.235	S	C	*	.	H	α-helix	trans	-58.2	-34.7	-176.6	-63	-177.9	164.1	0	0	112.5	V375 Y381	V375-E377 PolarHBondContact O-N 3.36Å; E377-Y381 VanDerWaalsContact O-CB 3.23Å; E377-Y381 WeakPolarHBondContact O-CB 3.4Å; E377-Y381 PolarHBondContact O-N 3Å
378	G	98.2	Very high	98.3	Very high	20 Å²	20	46.8 Å²	46.8	21%	0.206	26%	0.255	C	S	.	.	H	α-helix	trans	-65.2	-44.5	178.7	0	0	0	0	0	111.5	G131 R132 D376 G382	G131-G378 WeakPolarHBondContact CA-O 3.43Å; R132-G378 PolarHBondContact N-O 3.38Å; D376-G378 PolarHBondContact O-N 3.17Å; D376-G378 PolarHBondContact OD1-N 2.87Å; G378-G382 PolarHBondContact O-N 3Å
379	Y	98.6	Very high	98.3	Very high	1 Å²	1	45.7 Å²	45.7	0%	0.004	25%	0.251	C	S	.	.	H	α-helix	trans	-69.6	-46.2	177.3	-154	-77	0	0	0	111.9	I130 F223 F231 S234 D376 Y381 G382 L383	I130-Y379 HydrophobicContact CB-CD1 4.47Å; I130-Y379 HydrophobicContact CB-CD2 4.1Å; I130-Y379 HydrophobicContact CB-CE1 4.08Å; I130-Y379 HydrophobicContact CB-CE2 3.67Å; I130-Y379 HydrophobicContact CB-CG 4.49Å; I130-Y379 HydrophobicContact CG1-CE1 4.44Å; I130-Y379 HydrophobicContact CG2-CD1 3.66Å; I130-Y379 HydrophobicContact CG2-CD2 3.89Å; I130-Y379 HydrophobicContact CG2-CE1 3.64Å; I130-Y379 HydrophobicContact CG2-CE2 3.87Å; I130-Y379 HydrophobicContact CG2-CG 3.79Å; F223-Y379 AromaticContact CD1-CD1 3.91Å; F223-Y379 HydrophobicContact CD1-CD1 3.91Å; F223-Y379 HydrophobicContact CD1-CG 4.12Å; F223-Y379 AromaticContact CD2-CD1 3.74Å; F223-Y379 HydrophobicContact CD2-CD1 3.74Å; F223-Y379 AromaticContact CD2-CE1 3.83Å; F223-Y379 HydrophobicContact CD2-CE1 3.83Å; F223-Y379 AromaticContact CE1-CD1 3.56Å; F223-Y379 HydrophobicContact CE1-CD1 3.56Å; F223-Y379 HydrophobicContact CE1-CD2 4.07Å; F223-Y379 HydrophobicContact CE1-CE1 4.1Å; F223-Y379 AromaticContact CE1-CG 3.54Å; F223-Y379 HydrophobicContact CE1-CG 3.54Å; F223-Y379 AromaticContact CE2-CD1 3.39Å; F223-Y379 HydrophobicContact CE2-CD1 3.39Å; F223-Y379 AromaticContact CE2-CE1 3.17Å; F223-Y379 HydrophobicContact CE2-CE1 3.17Å; F223-Y379 HydrophobicContact CE2-CG 4.17Å; F223-Y379 AromaticContact CE2-CZ 3.79Å; F223-Y379 AromaticContact CG-CD1 4Å; F223-Y379 HydrophobicContact CG-CD1 4Å; F223-Y379 AromaticContact CZ-CD1 3.29Å; F223-Y379 HydrophobicContact CZ-CD1 3.29Å; F223-Y379 AromaticContact CZ-CD2 3.88Å; F223-Y379 HydrophobicContact CZ-CD2 3.88Å; F223-Y379 AromaticContact CZ-CE1 3.33Å; F223-Y379 HydrophobicContact CZ-CE1 3.33Å; F223-Y379 AromaticContact CZ-CE2 3.91Å; F223-Y379 HydrophobicContact CZ-CE2 3.91Å; F223-Y379 AromaticContact CZ-CG 3.57Å; F223-Y379 HydrophobicContact CZ-CG 3.57Å; F223-Y379 AromaticContact CZ-CZ 3.65Å; F231-Y379 HydrophobicContact CB-CD2 3.75Å; F231-Y379 HydrophobicContact CB-CE2 3.86Å; S234-Y379 WeakPolarHBondContact OG-CE2 3.31Å; D376-Y379 PolarHBondContact O-N 2.92Å; D376-Y379 VanDerWaalsContact O-N 3.17Å; D376-Y379 WeakPolarHBondContact OD1-CB 3.29Å; D376-Y379 PolarHBondContact OD1-N 3.03Å; D376-Y379 WeakPolarHBondContact OD2-CB 3.49Å; Y379-Y381 VanDerWaalsContact C-N 3.3Å; Y379-Y381 PolarHBondContact O-N 3.32Å; Y379-G382 PolarHBondContact O-N 2.87Å; Y379-G382 VanDerWaalsContact O-N 3.11Å; Y379-L383 HydrophobicContact CD1-CD1 3.59Å; Y379-L383 HydrophobicContact CD1-CD2 4.25Å; Y379-L383 HydrophobicContact CD1-CG 3.69Å; Y379-L383 HydrophobicContact CE1-CD1 3.7Å; Y379-L383 HydrophobicContact CE1-CD2 3.78Å; Y379-L383 HydrophobicContact CE1-CG 3.74Å; Y379-L383 WeakPolarHBondContact O-CG 3.29Å; Y379-L383 PolarHBondContact O-N 2.79Å
380	V	98.8	Very high	98.3	Very high	14 Å²	14	45.2 Å²	45.2	9%	0.085	25%	0.248	C	C	.	.	H	α-helix	trans	-55.7	-44.6	175.8	168.2	0	0	0	0	111.2	L220 F223 E224 V375 D376 L383 K384	L220-V380 HydrophobicContact CD1-CB 4.45Å; L220-V380 HydrophobicContact CD1-CG1 3.96Å; L220-V380 HydrophobicContact CD1-CG2 4.45Å; F223-V380 HydrophobicContact CB-CG2 3.89Å; E224-V380 HydrophobicContact CG-CG1 4.39Å; E224-V380 HydrophobicContact CG-CG2 4.41Å; V375-V380 HydrophobicContact CG1-CG2 3.92Å; D376-V380 WeakPolarHBondContact O-CG2 3.47Å; D376-V380 PolarHBondContact O-N 3.06Å; V380-L383 PolarHBondContact O-N 3.17Å; V380-K384 HydrophobicContact CG1-CD 4.12Å; V380-K384 WeakPolarHBondContact O-CG 3.47Å; V380-K384 PolarHBondContact O-N 3.07Å
381	Y	98.8	Very high	98.3	Very high	92 Å²	92	50 Å²	50	36%	0.361	27%	0.266	S	S	.	.	H	α-helix	trans	-58.6	-49.2	175.3	179.9	-85.6	0	0	0	111.7	R132 E156 E377 Y379 L383 K384 H385	R132-Y381 HydrophobicContact CG-CD1 3.62Å; R132-Y381 HydrophobicContact CG-CE1 4.29Å; R132-Y381 HydrophobicContact CG-CG 4.06Å; E156-Y381 PolarHBondContact O-OH 2.87Å; E156-Y381 VanDerWaalsContact O-OH 3.1Å; E377-Y381 VanDerWaalsContact O-CB 3.23Å; E377-Y381 WeakPolarHBondContact O-CB 3.4Å; E377-Y381 PolarHBondContact O-N 3Å; Y379-Y381 VanDerWaalsContact C-N 3.3Å; Y379-Y381 PolarHBondContact O-N 3.32Å; Y381-L383 PolarHBondContact O-N 2.6Å; Y381-K384 PolarHBondContact O-N 2.79Å; Y381-H385 PolarHBondContact O-N 3.34Å
382	G	98.7	Very high	98.3	Very high	0 Å²	0	46 Å²	46	0%	0	24%	0.24	C	C	.	.	H	α-helix	trans	-59.1	-44.2	179.3	0	0	0	0	0	113.1	G158 G378 Y379 H385 L386	G158-G382 WeakPolarHBondContact O-CA 3.32Å; G378-G382 PolarHBondContact O-N 3Å; Y379-G382 PolarHBondContact O-N 2.87Å; Y379-G382 VanDerWaalsContact O-N 3.11Å; G382-H385 PolarHBondContact O-N 3.01Å; G382-L386 WeakPolarHBondContact O-CB 3.3Å; G382-L386 PolarHBondContact O-N 3.11Å
383	L	98.8	Very high	98.3	Very high	0 Å²	0	45.1 Å²	45.1	0%	0	23%	0.234	C	C	.	.	H	α-helix	trans	-62.9	-45.8	176.1	-67.5	178.6	0	0	0	112.2	I130 V216 I219 L220 F223 L236 Y379 V380 Y381 H385 L386 I387	I130-L383 HydrophobicContact CG1-CD2 4.46Å; I130-L383 HydrophobicContact CG2-CD2 4.16Å; I130-L383 HydrophobicContact CG2-CG 4.19Å; V216-L383 HydrophobicContact CG1-CD2 3.9Å; I219-L383 HydrophobicContact CG2-CD1 4.03Å; I219-L383 HydrophobicContact CG2-CD2 4.44Å; L220-L383 HydrophobicContact CB-CB 4.36Å; L220-L383 HydrophobicContact CB-CD1 3.98Å; L220-L383 HydrophobicContact CD1-CB 4.12Å; L220-L383 HydrophobicContact CD1-CD1 4.15Å; F223-L383 HydrophobicContact CD2-CD1 3.9Å; F223-L383 HydrophobicContact CG-CD1 4.37Å; L236-L383 HydrophobicContact CD1-CD2 3.7Å; Y379-L383 HydrophobicContact CD1-CD1 3.59Å; Y379-L383 HydrophobicContact CD1-CD2 4.25Å; Y379-L383 HydrophobicContact CD1-CG 3.69Å; Y379-L383 HydrophobicContact CE1-CD1 3.7Å; Y379-L383 HydrophobicContact CE1-CD2 3.78Å; Y379-L383 HydrophobicContact CE1-CG 3.74Å; Y379-L383 WeakPolarHBondContact O-CG 3.29Å; Y379-L383 PolarHBondContact O-N 2.79Å; V380-L383 PolarHBondContact O-N 3.17Å; Y381-L383 PolarHBondContact O-N 2.6Å; L383-H385 VanDerWaalsContact C-N 3.34Å; L383-H385 PolarHBondContact O-N 3.3Å; L383-L386 PolarHBondContact O-N 2.84Å; L383-I387 VanDerWaalsContact O-CG1 3.3Å; L383-I387 WeakPolarHBondContact O-CG1 3.38Å; L383-I387 PolarHBondContact O-N 2.82Å
384	K	98.8	Very high	98.3	Very high	100 Å²	100	39.9 Å²	39.9	44%	0.435	21%	0.206	S	C	.	.	H	α-helix	trans	-60.8	-44	178.8	-76.5	178.9	177.9	174	0	111.6	L220 E224 V380 Y381 I387 A388	L220-K384 HydrophobicContact CD1-CG 4.15Å; L220-K384 HydrophobicContact CD2-CG 3.86Å; E224-K384 WeakPolarHBondContact OE1-CE 3.3Å; E224-K384 IonicContact OE1-NZ 2.64Å; E224-K384 PolarHBondContact OE1-NZ 2.83Å; V380-K384 HydrophobicContact CG1-CD 4.12Å; V380-K384 WeakPolarHBondContact O-CG 3.47Å; V380-K384 PolarHBondContact O-N 3.07Å; Y381-K384 PolarHBondContact O-N 2.79Å; K384-I387 PolarHBondContact O-N 2.64Å; K384-A388 PolarHBondContact O-N 3.4Å
385	H	98.7	Very high	98	Very high	51 Å²	51	42.8 Å²	42.8	24%	0.236	22%	0.218	C	C	.	.	H	α-helix	trans	-68.8	-40.3	178	-168.7	-155.5	0	0	0	111.9	I157 F159 Y381 G382 L383 I387 A388 V389	I157-H385 PolarHBondContact O-ND1 2.67Å; F159-H385 HydrophobicContact CE1-CB 4.41Å; F159-H385 AromaticContact CE1-ND1 3.99Å; Y381-H385 PolarHBondContact O-N 3.34Å; G382-H385 PolarHBondContact O-N 3.01Å; L383-H385 VanDerWaalsContact C-N 3.34Å; L383-H385 PolarHBondContact O-N 3.3Å; H385-I387 PolarHBondContact O-N 3.26Å; H385-A388 WeakPolarHBondContact O-CB 3.48Å; H385-A388 PolarHBondContact O-N 3.45Å; H385-A388 VanDerWaalsContact O-N 3.16Å; H385-V389 WeakPolarHBondContact O-CG2 3.05Å; H385-V389 PolarHBondContact O-N 3.05Å
386	L	98.8	Very high	97.2	Very high	1 Å²	1	45.2 Å²	45.2	1%	0.005	24%	0.237	C	C	.	.	H	α-helix	trans	-59.7	-44.9	174.2	-178.9	58.8	0	0	0	111.9	V128 I130 F159 L236 F238 G382 L383 A388 V389 L390	V128-L386 HydrophobicContact CG1-CD2 4.44Å; I130-L386 HydrophobicContact CD1-CD2 3.88Å; F159-L386 HydrophobicContact CD1-CB 3.95Å; F159-L386 HydrophobicContact CD1-CD1 4.5Å; F159-L386 HydrophobicContact CD2-CD1 4.23Å; F159-L386 HydrophobicContact CE1-CB 3.98Å; F159-L386 HydrophobicContact CE1-CD1 4.19Å; F159-L386 HydrophobicContact CE2-CD1 3.9Å; F159-L386 HydrophobicContact CG-CB 4.47Å; F159-L386 HydrophobicContact CZ-CD1 3.86Å; L236-L386 HydrophobicContact CD1-CD2 4.27Å; F238-L386 HydrophobicContact CE2-CD2 4.16Å; F238-L386 HydrophobicContact CZ-CD2 3.8Å; G382-L386 WeakPolarHBondContact O-CB 3.3Å; G382-L386 PolarHBondContact O-N 3.11Å; L383-L386 PolarHBondContact O-N 2.84Å; L386-A388 VanDerWaalsContact C-N 3.33Å; L386-A388 PolarHBondContact O-N 3.16Å; L386-V389 PolarHBondContact O-N 3.45Å; L386-L390 HydrophobicContact CD1-CD1 4.4Å; L386-L390 HydrophobicContact CD1-CG 4.37Å; L386-L390 HydrophobicContact CG-CD1 4.15Å; L386-L390 VanDerWaalsContact O-CG 3.3Å; L386-L390 WeakPolarHBondContact O-CG 2.98Å; L386-L390 PolarHBondContact O-N 3.31Å
387	I	98.7	Very high	97.1	Very high	5 Å²	5	47.2 Å²	47.2	3%	0.026	25%	0.247	C	C	.	.	H	α-helix	trans	-59.7	-43.7	174.1	-70.5	162.8	0	0	0	110.8	I213 V216 E217 L220 L383 K384 H385 V389 L390 R391	I213-I387 HydrophobicContact CG2-CG2 4.39Å; V216-I387 HydrophobicContact CB-CD1 4.47Å; V216-I387 HydrophobicContact CB-CG1 4.1Å; V216-I387 HydrophobicContact CG1-CD1 3.88Å; V216-I387 HydrophobicContact CG1-CG1 3.6Å; E217-I387 HydrophobicContact CG-CD1 3.88Å; E217-I387 HydrophobicContact CG-CG1 4.49Å; L220-I387 HydrophobicContact CB-CD1 4.37Å; L220-I387 HydrophobicContact CD2-CD1 3.74Å; L383-I387 VanDerWaalsContact O-CG1 3.3Å; L383-I387 WeakPolarHBondContact O-CG1 3.38Å; L383-I387 PolarHBondContact O-N 2.82Å; K384-I387 PolarHBondContact O-N 2.64Å; H385-I387 PolarHBondContact O-N 3.26Å; I387-V389 PolarHBondContact O-N 2.8Å; I387-L390 PolarHBondContact O-N 2.8Å; I387-R391 HydrophobicContact CG2-CG 4.26Å; I387-R391 VanDerWaalsContact CG2-CZ 3.49Å; I387-R391 WeakPolarHBondContact O-CB 3.24Å; I387-R391 WeakPolarHBondContact O-CG 3.42Å; I387-R391 PolarHBondContact O-N 2.79Å
388	A	98.5	Very high	97.1	Very high	51 Å²	51	41.5 Å²	41.5	42%	0.421	22%	0.222	S	C	.	.	H	α-helix	trans	-61.2	-43.4	178.2	0	0	0	0	0	112	K384 H385 L386 R391 S392	K384-A388 PolarHBondContact O-N 3.4Å; H385-A388 WeakPolarHBondContact O-CB 3.48Å; H385-A388 PolarHBondContact O-N 3.45Å; H385-A388 VanDerWaalsContact O-N 3.16Å; L386-A388 VanDerWaalsContact C-N 3.33Å; L386-A388 PolarHBondContact O-N 3.16Å; A388-R391 PolarHBondContact O-N 3.18Å; A388-S392 PolarHBondContact O-N 3.49Å
389	V	98.5	Very high	97	Very high	11 Å²	11	42.7 Å²	42.7	7%	0.067	22%	0.223	C	C	.	.	H	α-helix	trans	-62	-48.8	174.8	173.3	0	0	0	0	110.7	F159 L190 V194 H385 L386 I387 R391 S392 I393	F159-V389 HydrophobicContact CE1-CG2 4.36Å; F159-V389 HydrophobicContact CZ-CB 4.5Å; F159-V389 HydrophobicContact CZ-CG2 4.14Å; L190-V389 HydrophobicContact CD2-CG2 3.84Å; L190-V389 HydrophobicContact CG-CG2 4.25Å; V194-V389 HydrophobicContact CB-CG1 4.1Å; V194-V389 HydrophobicContact CG1-CG1 4.4Å; V194-V389 HydrophobicContact CG2-CG1 4.13Å; H385-V389 WeakPolarHBondContact O-CG2 3.05Å; H385-V389 PolarHBondContact O-N 3.05Å; L386-V389 PolarHBondContact O-N 3.45Å; I387-V389 PolarHBondContact O-N 2.8Å; V389-R391 VanDerWaalsContact C-N 3.35Å; V389-R391 PolarHBondContact O-N 3.41Å; V389-S392 PolarHBondContact O-N 3.25Å; V389-S392 PolarHBondContact O-OG 3.29Å; V389-I393 HydrophobicContact CG1-CD1 4.33Å; V389-I393 WeakPolarHBondContact O-CG1 3.44Å; V389-I393 PolarHBondContact O-N 3.18Å; V389-I393 VanDerWaalsContact O-N 3.17Å
390	L	98.4	Very high	96.9	Very high	1 Å²	1	45.1 Å²	45.1	1%	0.005	24%	0.236	C	C	.	.	H	α-helix	trans	-60.3	-41.3	178.2	-69.6	170.6	0	0	0	112.6	V194 F198 V209 I213 F238 L386 I387 I393 L394	V194-L390 HydrophobicContact CG1-CD2 3.9Å; F198-L390 HydrophobicContact CE2-CD2 3.5Å; F198-L390 HydrophobicContact CZ-CD2 3.77Å; V209-L390 HydrophobicContact CG1-CB 4.35Å; V209-L390 HydrophobicContact CG1-CD2 4.41Å; V209-L390 WeakPolarHBondContact CG1-O 3.37Å; I213-L390 HydrophobicContact CD1-CB 3.87Å; I213-L390 HydrophobicContact CG1-CB 3.52Å; I213-L390 HydrophobicContact CG1-CD1 4.08Å; I213-L390 HydrophobicContact CG1-CG 4.42Å; F238-L390 HydrophobicContact CE1-CD1 4.47Å; L386-L390 HydrophobicContact CD1-CD1 4.4Å; L386-L390 HydrophobicContact CD1-CG 4.37Å; L386-L390 HydrophobicContact CG-CD1 4.15Å; L386-L390 VanDerWaalsContact O-CG 3.3Å; L386-L390 WeakPolarHBondContact O-CG 2.98Å; L386-L390 PolarHBondContact O-N 3.31Å; I387-L390 PolarHBondContact O-N 2.8Å; L390-I393 WeakPolarHBondContact O-CB 3.45Å; L390-I393 PolarHBondContact O-N 3.1Å; L390-L394 PolarHBondContact O-N 3.42Å
391	R	98.3	Very high	96.8	Very high	123 Å²	123	47.1 Å²	47.1	46%	0.464	25%	0.245	S	C	.	.	H	α-helix	trans	-62.7	-43.5	175.1	-74.8	175.1	179.8	167.5	-1.8	111.3	I213 E217 I387 A388 V389 I393 L394 D395	I213-R391 HydrophobicContact CD1-CG 3.9Å; E217-R391 IonicContact OE1-CZ 2.81Å; E217-R391 IonicContact OE1-NE 3.24Å; E217-R391 IonicContact OE1-NH2 2.7Å; E217-R391 PolarHBondContact OE1-NH2 3.09Å; I387-R391 HydrophobicContact CG2-CG 4.26Å; I387-R391 VanDerWaalsContact CG2-CZ 3.49Å; I387-R391 WeakPolarHBondContact O-CB 3.24Å; I387-R391 WeakPolarHBondContact O-CG 3.42Å; I387-R391 PolarHBondContact O-N 2.79Å; A388-R391 PolarHBondContact O-N 3.18Å; V389-R391 VanDerWaalsContact C-N 3.35Å; V389-R391 PolarHBondContact O-N 3.41Å; R391-I393 PolarHBondContact O-N 3.18Å; R391-I393 VanDerWaalsContact O-N 3.15Å; R391-L394 WeakPolarHBondContact O-CB 3.34Å; R391-L394 PolarHBondContact O-N 3.47Å; R391-D395 PolarHBondContact O-N 3.43Å
392	S	97.7	Very high	96.6	Very high	33 Å²	33	44.1 Å²	44.1	23%	0.231	24%	0.237	C	C	.	.	H	α-helix	trans	-61.6	-25	177.1	82	0	0	0	0	113.5	K191 A388 V389	K191-S392 WeakPolarHBondContact CD-OG 3.37Å; K191-S392 WeakPolarHBondContact CE-O 3.5Å; K191-S392 PolarHBondContact NZ-O 3.3Å; A388-S392 PolarHBondContact O-N 3.49Å; V389-S392 PolarHBondContact O-N 3.25Å; V389-S392 PolarHBondContact O-OG 3.29Å
393	I	97.6	Very high	96.5	Very high	0 Å²	0	47.2 Å²	47.2	0%	0	25%	0.254	C	S	.	.	H	α-helix	trans	-73	-32.8	174.6	-68.2	166.5	0	0	0	111	K191 V194 L204 V209 V389 L390 R391 D395 S396	K191-I393 HydrophobicContact CG-CG1 3.95Å; V194-I393 HydrophobicContact CB-CD1 3.99Å; V194-I393 HydrophobicContact CG1-CD1 3.74Å; L204-I393 HydrophobicContact CD1-CG2 4.05Å; L204-I393 HydrophobicContact CD2-CG2 3.71Å; L204-I393 HydrophobicContact CG-CG2 4.39Å; V209-I393 HydrophobicContact CG1-CG2 4.4Å; V209-I393 HydrophobicContact CG2-CG2 4.05Å; V389-I393 HydrophobicContact CG1-CD1 4.33Å; V389-I393 WeakPolarHBondContact O-CG1 3.44Å; V389-I393 PolarHBondContact O-N 3.18Å; V389-I393 VanDerWaalsContact O-N 3.17Å; L390-I393 WeakPolarHBondContact O-CB 3.45Å; L390-I393 PolarHBondContact O-N 3.1Å; R391-I393 PolarHBondContact O-N 3.18Å; R391-I393 VanDerWaalsContact O-N 3.15Å; I393-D395 VanDerWaalsContact C-N 3.3Å; I393-S396 PolarHBondContact O-N 3.47Å
394	L	95.6	Very high	96.3	Very high	50 Å²	50	50.8 Å²	50.8	26%	0.262	27%	0.274	S	S	.	.	H	α-helix	trans	-68.4	-32.6	175.3	-68	179.3	0	0	0	112.6	K206 V209 A210 I213 L390 R391 S396	K206-L394 HydrophobicContact CB-CD2 3.9Å; K206-L394 HydrophobicContact CG-CD2 4.24Å; K206-L394 PolarHBondContact NZ-O 3.32Å; K206-L394 WeakPolarHBondContact O-CD2 3.36Å; V209-L394 HydrophobicContact CB-CD2 3.73Å; V209-L394 HydrophobicContact CB-CG 4.36Å; V209-L394 HydrophobicContact CG1-CD1 4.37Å; V209-L394 HydrophobicContact CG1-CD2 3.63Å; V209-L394 HydrophobicContact CG1-CG 3.68Å; A210-L394 HydrophobicContact CB-CD1 4.39Å; I213-L394 HydrophobicContact CD1-CD1 3.58Å; I213-L394 HydrophobicContact CD1-CG 4.25Å; L390-L394 PolarHBondContact O-N 3.42Å; R391-L394 WeakPolarHBondContact O-CB 3.34Å; R391-L394 PolarHBondContact O-N 3.47Å; L394-S396 VanDerWaalsContact C-N 3.26Å; L394-S396 PolarHBondContact O-N 3.2Å
395	D	92.3	Very high	96.1	Very high	142 Å²	142	46.8 Å²	46.8	76%	0.759	26%	0.261	S	S	*	.	T	Hydrogen-bonded Turn	trans	-75.1	-13.6	178.9	-59	-30	0	0	0	113.4	R391 I393	R391-D395 PolarHBondContact O-N 3.43Å; I393-D395 VanDerWaalsContact C-N 3.3Å
396	S	80.3	Confident	95.9	Very high	93 Å²	93	46.4 Å²	46.4	65%	0.65	26%	0.263	S	S	*	.			trans	-80.4	0	170.3	-88.5	0	0	0	0	111.4	K191 K206 I393 L394	K191-S396 WeakPolarHBondContact CE-OG 3.45Å; K191-S396 PolarHBondContact NZ-OG 3.2Å; K206-S396 WeakPolarHBondContact CE-OXT 3.3Å; K206-S396 PolarHBondContact NZ-OXT 3.49Å; I393-S396 PolarHBondContact O-N 3.47Å; L394-S396 VanDerWaalsContact C-N 3.26Å; L394-S396 PolarHBondContact O-N 3.2Å

Retrieved 396 of 396 residues in 560.4 ms (Link to these results)

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