A0A3Q0KLQ4_SCHMA Loading...

tRNA (guanine-N(7)-)-methyltransferase

Catalyzes the formation of N(7)-methylguanine at position 46 (m7G46) in tRNA.

AlphaFold DB , UniProt , Accession A0A3Q0KLQ4, Species SCHMA (Schistosoma mansoni, Blood fluke), Gene n/a, Length 304 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	35.6	Very low	38.9	Very low	239 Å²	239	131.5 Å²	131.5	100%	1.177	75%	0.745	S	S	*	*				0	118.7	0	-75.1	-173.1	-98.6	0	0	106.5	E3	M1-E3 PolarHBondContact O-N 3.4Å
2	S	34.5	Very low	38.4	Very low	132 Å²	132	132.8 Å²	132.8	92%	0.923	75%	0.749	S	S	*	*			trans	-74.9	101.2	-173.9	-166.9	0	0	0	0	109.2	C4	S2-C4 PolarHBondContact O-N 3.28Å
3	E	43.2	Very low	37.9	Very low	143 Å²	143	130.5 Å²	130.5	67%	0.668	75%	0.746	S	S	*	*			trans	-79.4	114.1	173.2	-88.3	-174.6	164.7	0	0	109.4	M1 T5 H156	M1-E3 PolarHBondContact O-N 3.4Å; E3-T5 PolarHBondContact O-N 3.43Å; E3-H156 IonicContact OE1-CE1 3.01Å; E3-H156 PolarHBondContact OE1-CE1 3Å; E3-H156 IonicContact OE2-CE1 3.31Å; E3-H156 IonicContact OE2-ND1 3.84Å; E3-H156 PolarHBondContact OE2-ND1 2.93Å
4	C	36.7	Very low	37.6	Very low	115 Å²	115	130.1 Å²	130.1	78%	0.777	75%	0.753	S	S	*	*			trans	-76.4	95.3	179.5	-158.9	0	0	0	0	109.6	S2 M6	S2-C4 PolarHBondContact O-N 3.28Å; C4-M6 PolarHBondContact O-N 3.1Å
5	T	42.8	Very low	37.5	Very low	72 Å²	72	132.3 Å²	132.3	44%	0.442	75%	0.754	S	S	.	*			trans	-77.2	93.7	170.1	4.8	0	0	0	0	110	E3 Y99	E3-T5 PolarHBondContact O-N 3.43Å; T5-Y99 HydrophobicContact CG2-CD1 4.37Å; T5-Y99 HydrophobicContact CG2-CE1 3.61Å
6	M	42.9	Very low	37.2	Very low	147 Å²	147	137.6 Å²	137.6	72%	0.724	77%	0.766	S	S	*	*			trans	-92.5	109.6	166.3	-66.3	-148.4	-57.6	0	0	109.8	C4	C4-M6 PolarHBondContact O-N 3.1Å
7	V	43.2	Very low	37.5	Very low	71 Å²	71	139.6 Å²	139.6	43%	0.43	77%	0.768	S	S	.	*	P	Polyproline II helix	trans	-74.8	119.5	167.6	-178.5	0	0	0	0	107	P270	V7-P270 HydrophobicContact CG2-CB 3.55Å; V7-P270 HydrophobicContact CG2-CG 3.6Å
8	L	38.6	Very low	37.7	Very low	120 Å²	120	137.6 Å²	137.6	63%	0.628	77%	0.765	S	S	*	*	P	Polyproline II helix	trans	-81	129.9	173.6	-67.3	173	0	0	0	109.7
9	D	35.2	Very low	38.2	Very low	139 Å²	139	138.3 Å²	138.3	74%	0.743	77%	0.773	S	S	*	*	P	Polyproline II helix	trans	-64.6	149.4	165.6	-73.5	-41.1	0	0	0	110.3	V11	D9-V11 PolarHBondContact O-N 3.04Å; D9-V11 VanDerWaalsContact O-N 3.12Å
10	P	36.4	Very low	39.2	Very low	126 Å²	126	133.8 Å²	133.8	82%	0.818	75%	0.747	S	S	*	*			trans	-68.3	115	-176.9	25.1	-28.3	0	0	0	110.4	D12	P10-D12 PolarHBondContact O-N 3.12Å
11	V	39.2	Very low	40.2	Very low	142 Å²	142	136.8 Å²	136.8	86%	0.861	76%	0.756	S	S	*	*			trans	-74	111.4	172	-178.8	0	0	0	0	108.6	D9	D9-V11 PolarHBondContact O-N 3.04Å; D9-V11 VanDerWaalsContact O-N 3.12Å
12	D	32.4	Very low	42	Very low	148 Å²	148	132.9 Å²	132.9	79%	0.791	74%	0.739	S	S	*	*			trans	-84.5	148.2	165.9	-153.1	-6.9	0	0	0	109.7	P10	P10-D12 PolarHBondContact O-N 3.12Å
13	S	32.2	Very low	44.2	Very low	102 Å²	102	129.1 Å²	129.1	71%	0.713	71%	0.709	S	S	*	*			trans	92.2	127.6	169.4	77.2	0	0	0	0	121.3
14	C	33.1	Very low	46.4	Very low	125 Å²	125	133.2 Å²	133.2	85%	0.845	72%	0.718	S	S	*	*			trans	73.8	124.8	166	-92.3	0	0	0	0	118.1
15	E	36.9	Very low	49	Very low	164 Å²	164	131.3 Å²	131.3	77%	0.766	70%	0.699	S	S	*	*			cis	-145.1	141.1	18.3	-70.1	177.5	144.2	0	0	110.4	H17	E15-H17 PolarHBondContact O-N 3.14Å
16	K	32.1	Very low	51.4	Low	217 Å²	217	128.9 Å²	128.9	94%	0.943	69%	0.685	S	S	*	*			trans	-75	99.1	175.9	-75.2	178.6	176.6	178.4	0	110.3
17	H	42.9	Very low	53.7	Low	172 Å²	172	124.2 Å²	124.2	80%	0.796	67%	0.667	S	S	*	*			trans	-97.1	114.5	158.5	-92.2	-65.7	0	0	0	111.4	E15	E15-H17 PolarHBondContact O-N 3.14Å
18	S	40.8	Very low	55.8	Low	103 Å²	103	124.8 Å²	124.8	72%	0.72	66%	0.663	S	S	*	*			trans	-69.5	122.3	-176.9	55.2	0	0	0	0	113.4
19	T	48	Very low	58.3	Low	150 Å²	150	127.7 Å²	127.7	92%	0.92	67%	0.666	S	S	*	*	S	Bend	trans	-166	-1.7	144.3	31.4	0	0	0	0	114.3
20	D	57.9	Low	60.9	Low	48 Å²	48	126.7 Å²	126.7	26%	0.257	66%	0.657	S	S	.	*			trans	-123.9	16	-154.2	-152.7	37.8	0	0	0	118.2	N22 I23 V126 K127	D20-N22 PolarHBondContact O-N 2.91Å; D20-I23 WeakPolarHBondContact OD1-CD1 3.13Å; D20-I23 WeakPolarHBondContact OD1-CG1 3.11Å; D20-V126 WeakPolarHBondContact OD1-CG1 3.43Å; D20-V126 WeakPolarHBondContact OD2-CG1 3.36Å; D20-V126 VanDerWaalsContact OD2-O 3.06Å; D20-K127 VanDerWaalsContact OD2-CA 3.23Å; D20-K127 WeakPolarHBondContact OD2-CA 3.5Å; D20-K127 PolarHBondContact OD2-N 3.15Å
21	E	60.3	Low	63.6	Low	198 Å²	198	122.6 Å²	122.6	93%	0.925	63%	0.625	S	S	*	*	T	Hydrogen-bonded Turn	trans	-65.6	-13	-176.2	-71.4	-160.3	160.7	0	0	115
22	N	72.5	Confident	65.9	Low	156 Å²	156	124.9 Å²	124.9	83%	0.834	62%	0.618	S	S	*	*	T	Hydrogen-bonded Turn	trans	-92.4	-10.2	-173.6	-81.3	-31.1	0	0	0	115.8	D20 R24	D20-N22 PolarHBondContact O-N 2.91Å; N22-R24 PolarHBondContact O-N 3.24Å
23	I	80.9	Confident	68.6	Low	54 Å²	54	121.8 Å²	121.8	28%	0.277	60%	0.599	S	S	.	*	P	Polyproline II helix	trans	-73.4	122.7	-179.1	-63.1	-175.1	0	0	0	109.8	D20 A123 V126 K127	D20-I23 WeakPolarHBondContact OD1-CD1 3.13Å; D20-I23 WeakPolarHBondContact OD1-CG1 3.11Å; I23-A123 HydrophobicContact CG2-CB 3.88Å; I23-V126 HydrophobicContact CD1-CB 3.57Å; I23-V126 HydrophobicContact CD1-CG1 3.33Å; I23-V126 HydrophobicContact CD1-CG2 4.08Å; I23-K127 WeakPolarHBondContact O-CE 3.47Å; I23-K127 PolarHBondContact O-NZ 3.2Å
24	R	89.1	Confident	71.2	Confident	228 Å²	228	126.4 Å²	126.4	86%	0.86	60%	0.601	S	S	*	*	P	Polyproline II helix	trans	-94.4	130.6	176.3	-67.2	-176.8	178	-179.7	-0.5	109.3	N22	N22-R24 PolarHBondContact O-N 3.24Å
25	L	91.7	Very high	73.5	Confident	75 Å²	75	124 Å²	124	39%	0.393	59%	0.59	S	S	.	*	P	Polyproline II helix	trans	-63.5	143.4	168.8	-66.5	175.3	0	0	0	108.9	A123 L124 K127	L25-A123 HydrophobicContact CD2-CB 3.78Å; L25-L124 HydrophobicContact CD2-CD2 4Å; L25-L124 HydrophobicContact CD2-CG 4.06Å; L25-K127 HydrophobicContact CD2-CD 4.23Å; L25-K127 HydrophobicContact CG-CD 4.46Å
26	P	93.2	Very high	75.6	Confident	22 Å²	22	121.6 Å²	121.6	14%	0.143	58%	0.579	C	S	.	*	P	Polyproline II helix	trans	-61.1	146	177.1	27.9	-36	0	0	0	109.9	Y31 F116 E119 K120	P26-Y31 HydrophobicContact CB-CE2 3.94Å; P26-F116 HydrophobicContact CB-CD2 3.94Å; P26-F116 HydrophobicContact CB-CE2 4.06Å; P26-F116 HydrophobicContact CG-CD2 3.98Å; P26-F116 HydrophobicContact CG-CE2 3.88Å; P26-F116 WeakPolarHBondContact O-CE2 3.42Å; P26-E119 HydrophobicContact CB-CB 4.19Å; P26-E119 HydrophobicContact CG-CB 3.99Å; P26-K120 HydrophobicContact CG-CB 3.6Å; P26-K120 HydrophobicContact CG-CG 4.35Å
27	S	91.6	Very high	78	Confident	48 Å²	48	113 Å²	113	34%	0.336	55%	0.546	S	S	.	.	P	Polyproline II helix	trans	-100.9	119.5	178.3	-173.2	0	0	0	0	110.1	R29 H30 Y31	S27-R29 PolarHBondContact O-N 2.94Å; S27-R29 WeakPolarHBondContact OG-CG 3.24Å; S27-H30 PolarHBondContact O-N 3.15Å; S27-Y31 WeakPolarHBondContact O-CD2 3.2Å
28	K	88	Confident	80.1	Confident	83 Å²	83	107.8 Å²	107.8	36%	0.361	52%	0.524	S	S	.	.	G	3₁₀ helix	trans	-48.9	-31.8	-179.6	-68.4	-172.4	-60.1	-179.8	0	114	H30 Y31 R32 Y88 F116 E281	K28-H30 PolarHBondContact O-N 3.31Å; K28-H30 VanDerWaalsContact O-N 3.12Å; K28-Y31 CarbonylContact O-C 3.55Å; K28-Y31 PolarHBondContact O-N 3.07Å; K28-R32 WeakPolarHBondContact O-CG 3.45Å; K28-R32 PolarHBondContact O-N 3.26Å; K28-Y88 HydrophobicContact CB-CE1 4.48Å; K28-Y88 HydrophobicContact CD-CD1 4.07Å; K28-Y88 HydrophobicContact CD-CG 4.06Å; K28-Y88 HydrophobicContact CG-CD1 4.05Å; K28-Y88 HydrophobicContact CG-CE1 4.35Å; K28-F116 HydrophobicContact CB-CE2 4.17Å; K28-F116 HydrophobicContact CD-CE1 4.42Å; K28-F116 HydrophobicContact CD-CE2 4.49Å; K28-F116 HydrophobicContact CD-CZ 4.03Å; K28-F116 HydrophobicContact CG-CD2 4.02Å; K28-F116 HydrophobicContact CG-CE1 3.97Å; K28-F116 HydrophobicContact CG-CE2 3.32Å; K28-F116 HydrophobicContact CG-CZ 3.28Å; K28-E281 WeakPolarHBondContact CD-OE1 3.16Å; K28-E281 WeakPolarHBondContact CD-OE2 3.28Å; K28-E281 WeakPolarHBondContact CE-OE1 3.46Å; K28-E281 IonicContact NZ-OE1 3.22Å; K28-E281 PolarHBondContact NZ-OE1 3.06Å; K28-E281 IonicContact NZ-OE2 3.92Å; K28-E281 PolarHBondContact NZ-OE2 3.33Å
29	R	90.1	Very high	82.2	Confident	182 Å²	182	103.4 Å²	103.4	69%	0.687	49%	0.493	S	S	*	.	G	3₁₀ helix	trans	-55.7	-30.5	-179.9	77.8	-171.1	-177.8	-177.2	-2.1	112.7	S27	S27-R29 PolarHBondContact O-N 2.94Å; S27-R29 WeakPolarHBondContact OG-CG 3.24Å
30	H	90.9	Very high	83.9	Confident	117 Å²	117	101.9 Å²	101.9	54%	0.542	47%	0.47	S	S	.	.	G	3₁₀ helix	trans	-82.9	-16.3	178.8	-51.8	144.6	0	0	0	113.3	S27 K28	S27-H30 PolarHBondContact O-N 3.15Å; K28-H30 PolarHBondContact O-N 3.31Å; K28-H30 VanDerWaalsContact O-N 3.12Å
31	Y	92.5	Very high	85.2	Confident	40 Å²	40	101.5 Å²	101.5	16%	0.157	47%	0.471	C	S	.	.	S	Bend	trans	-110.3	10.5	-175.1	-62.2	-93.3	0	0	0	113.1	P26 S27 K28 Q33 K112 D115 F116 E119	P26-Y31 HydrophobicContact CB-CE2 3.94Å; S27-Y31 WeakPolarHBondContact O-CD2 3.2Å; K28-Y31 CarbonylContact O-C 3.55Å; K28-Y31 PolarHBondContact O-N 3.07Å; Y31-Q33 PolarHBondContact O-N 3.18Å; Y31-K112 WeakPolarHBondContact CB-O 3.47Å; Y31-K112 VanDerWaalsContact CD1-O 3.24Å; Y31-K112 WeakPolarHBondContact CD1-O 3.43Å; Y31-K112 WeakPolarHBondContact O-CB 3.28Å; Y31-D115 HydrophobicContact CD1-CB 4.06Å; Y31-D115 HydrophobicContact CE1-CB 3.95Å; Y31-F116 HydrophobicContact CD1-CB 3.82Å; Y31-F116 HydrophobicContact CD2-CB 4.09Å; Y31-F116 AromaticContact CD2-CD2 3.73Å; Y31-F116 HydrophobicContact CD2-CD2 3.73Å; Y31-F116 HydrophobicContact CD2-CG 4.41Å; Y31-F116 HydrophobicContact CE1-CB 4.5Å; Y31-F116 HydrophobicContact CE2-CD2 4.33Å; Y31-F116 HydrophobicContact CG-CB 3.6Å; Y31-F116 HydrophobicContact CG-CD2 4.1Å; Y31-F116 HydrophobicContact CG-CG 4.34Å; Y31-E119 PolarHBondContact OH-OE1 2.91Å; Y31-E119 PolarHBondContact OH-OE2 3.29Å
32	R	87.2	Confident	86	Confident	191 Å²	191	100.2 Å²	100.2	72%	0.721	47%	0.471	S	S	*	.			trans	-58.5	129	-178.5	-67.2	-178.7	72.9	163.7	2.3	111	K28	K28-R32 WeakPolarHBondContact O-CG 3.45Å; K28-R32 PolarHBondContact O-N 3.26Å
33	Q	88.4	Confident	86.3	Confident	83 Å²	83	95.4 Å²	95.4	39%	0.388	44%	0.443	S	S	.	.			trans	-137	164	172.9	-173.3	165	-2.5	0	0	109.3	Y31 K112 V113	Y31-Q33 PolarHBondContact O-N 3.18Å; Q33-K112 HydrophobicContact CB-CB 4.35Å; Q33-V113 HydrophobicContact CB-CG2 4.29Å
34	R	87	Confident	86.5	Confident	199 Å²	199	98.6 Å²	98.6	75%	0.751	47%	0.465	S	S	*	.			trans	-56.2	141.4	173.4	-70.4	-173.6	179.9	178.8	1.3	110.3	H36 R110	R34-H36 VanDerWaalsContact C-N 3.26Å; R34-H36 PolarHBondContact O-N 3.04Å; R34-R110 WeakPolarHBondContact O-CD 3.24Å
35	A	81.9	Confident	86.5	Confident	75 Å²	75	88.7 Å²	88.7	62%	0.62	43%	0.429	S	S	*	.	S	Bend	trans	-62.5	-34.9	-176.4	0	0	0	0	0	112.5	R110	A35-R110 PolarHBondContact O-NH1 2.9Å
36	H	80.6	Confident	86.4	Confident	113 Å²	113	91.9 Å²	91.9	52%	0.523	45%	0.447	S	S	.	.			trans	-111.5	155.3	-179.6	55.1	-94.1	0	0	0	111.7	R34 D164	R34-H36 VanDerWaalsContact C-N 3.26Å; R34-H36 PolarHBondContact O-N 3.04Å; H36-D164 WeakPolarHBondContact CB-OD2 3.46Å
37	C	82.4	Confident	86.3	Confident	37 Å²	37	93.7 Å²	93.7	25%	0.25	45%	0.451	C	S	.	.			trans	-135.6	166.2	168.7	75.3	0	0	0	0	110	P39 I109	C37-P39 WeakPolarHBondContact O-CD 3.19Å; C37-I109 WeakPolarHBondContact SG-CG2 3.2Å
38	N	88.3	Confident	86.5	Confident	62 Å²	62	92.4 Å²	92.4	33%	0.332	44%	0.442	S	S	.	.			trans	-80.8	115.4	167.7	180	2.8	0	0	0	108	W40 S41 H43 W174	N38-W40 PolarHBondContact O-N 2.72Å; N38-W40 VanDerWaalsContact O-N 3.14Å; N38-W40 PolarHBondContact OD1-N 2.71Å; N38-S41 PolarHBondContact O-N 3.04Å; N38-S41 PolarHBondContact O-OG 3.46Å; N38-H43 PolarHBondContact O-NE2 2.89Å; N38-W174 HydrophobicContact CB-CH2 4.5Å
39	P	84.6	Confident	86.8	Confident	11 Å²	11	95.5 Å²	95.5	7%	0.071	46%	0.461	C	S	.	.	T	Hydrogen-bonded Turn	trans	-65.1	-17.3	178.2	24.5	-31.2	0	0	0	112.5	C37 N141 M143 W174	C37-P39 WeakPolarHBondContact O-CD 3.19Å; P39-N141 PolarHBondContact O-ND2 2.96Å; P39-M143 HydrophobicContact CB-SD 3.6Å; P39-M143 VanDerWaalsContact CB-SD 3.6Å; P39-M143 HydrophobicContact CG-SD 3.72Å; P39-W174 HydrophobicContact CG-CB 3.91Å; P39-W174 HydrophobicContact CG-CD2 4.44Å; P39-W174 HydrophobicContact CG-CG 4.03Å
40	W	83.8	Confident	87.1	Confident	117 Å²	117	91.8 Å²	91.8	44%	0.443	45%	0.45	S	S	.	.	T	Hydrogen-bonded Turn	trans	-99.5	3.3	-179.6	-56.6	95.2	0	0	0	114.5	N38 M143 W174	N38-W40 PolarHBondContact O-N 2.72Å; N38-W40 VanDerWaalsContact O-N 3.14Å; N38-W40 PolarHBondContact OD1-N 2.71Å; W40-M143 HydrophobicContact CZ2-CE 3.97Å; W40-W174 AromaticContact CD1-CD1 3.21Å; W40-W174 AromaticContact CD1-CE2 3.85Å; W40-W174 AromaticContact CD1-NE1 3.08Å; W40-W174 AromaticContact NE1-CD1 3.09Å; W40-W174 AromaticContact NE1-NE1 3.44Å
41	S	84.9	Confident	87.3	Confident	41 Å²	41	87 Å²	87	29%	0.287	43%	0.43	S	S	.	.	S	Bend	trans	-69.3	157.6	171.2	57.5	0	0	0	0	111.1	N38 H43	N38-S41 PolarHBondContact O-N 3.04Å; N38-S41 PolarHBondContact O-OG 3.46Å; S41-H43 PolarHBondContact O-CD2 2.8Å; S41-H43 PolarHBondContact O-N 2.84Å; S41-H43 VanDerWaalsContact O-N 3.15Å; S41-H43 PolarHBondContact OG-CE1 2.82Å; S41-H43 PolarHBondContact OG-NE2 3.36Å
42	D	76.6	Confident	87.4	Confident	170 Å²	170	90.5 Å²	90.5	91%	0.909	45%	0.447	S	S	*	.			trans	-67.6	113	174.2	-60.4	-37.4	0	0	0	109.1
43	H	79.4	Confident	87.8	Confident	55 Å²	55	86.3 Å²	86.3	26%	0.255	44%	0.439	S	S	.	.			trans	-118.9	134.3	172.7	-60.1	-79.2	0	0	0	107.6	N38 S41 L45	N38-H43 PolarHBondContact O-NE2 2.89Å; S41-H43 PolarHBondContact O-CD2 2.8Å; S41-H43 PolarHBondContact O-N 2.84Å; S41-H43 VanDerWaalsContact O-N 3.15Å; S41-H43 PolarHBondContact OG-CE1 2.82Å; S41-H43 PolarHBondContact OG-NE2 3.36Å; H43-L45 HydrophobicContact CB-CD1 3.69Å; H43-L45 HydrophobicContact CB-CD2 4.35Å; H43-L45 HydrophobicContact CB-CG 3.64Å; H43-L45 PolarHBondContact O-N 3.18Å; H43-L45 VanDerWaalsContact O-N 3.13Å
44	T	85.4	Confident	88.1	Confident	121 Å²	121	84 Å²	84	74%	0.742	43%	0.428	S	S	*	.			trans	-74.6	101.3	165.7	-45.7	0	0	0	0	107.8	R139	T44-R139 PolarHBondContact O-NH1 3.06Å
45	L	88.1	Confident	88.3	Confident	21 Å²	21	79 Å²	79	11%	0.11	42%	0.416	C	S	.	.			trans	-131.3	131.2	-178.9	-63.3	172.3	0	0	0	108	H43 Y47 R139 N141	H43-L45 HydrophobicContact CB-CD1 3.69Å; H43-L45 HydrophobicContact CB-CD2 4.35Å; H43-L45 HydrophobicContact CB-CG 3.64Å; H43-L45 PolarHBondContact O-N 3.18Å; H43-L45 VanDerWaalsContact O-N 3.13Å; L45-Y47 HydrophobicContact CB-CE2 3.75Å; L45-Y47 WeakPolarHBondContact CD1-OH 3.42Å; L45-Y47 WeakPolarHBondContact O-CD2 3.37Å; L45-Y47 WeakPolarHBondContact O-CE2 3.29Å; L45-R139 HydrophobicContact CD2-CG 3.8Å; L45-N141 HydrophobicContact CD1-CB 3.84Å
46	D	89.3	Confident	88.9	Confident	142 Å²	142	76.9 Å²	76.9	76%	0.759	39%	0.392	S	S	*	.			trans	-94	125.5	178.5	-60.7	-40.2	0	0	0	109.1
47	Y	91.4	Very high	89.3	Confident	60 Å²	60	74.5 Å²	74.5	24%	0.235	38%	0.381	C	S	.	.			trans	-115.1	136.2	176.4	-53	-89.9	0	0	0	108.5	L45 T140 K144 F145 F149	L45-Y47 HydrophobicContact CB-CE2 3.75Å; L45-Y47 WeakPolarHBondContact CD1-OH 3.42Å; L45-Y47 WeakPolarHBondContact O-CD2 3.37Å; L45-Y47 WeakPolarHBondContact O-CE2 3.29Å; Y47-T140 VanDerWaalsContact CE1-OG1 3.25Å; Y47-T140 WeakPolarHBondContact CE1-OG1 3.32Å; Y47-K144 HydrophobicContact CE1-CB 4.46Å; Y47-F145 HydrophobicContact CD1-CB 3.76Å; Y47-F145 AromaticContact CD1-CD2 3.96Å; Y47-F145 HydrophobicContact CD1-CD2 3.96Å; Y47-F145 HydrophobicContact CD1-CG 4.32Å; Y47-F145 AromaticContact CD2-CD2 4Å; Y47-F145 HydrophobicContact CD2-CD2 4Å; Y47-F145 HydrophobicContact CE1-CB 4.24Å; Y47-F145 AromaticContact CE1-CD2 3.98Å; Y47-F145 HydrophobicContact CE1-CD2 3.98Å; Y47-F145 HydrophobicContact CE2-CD2 4.04Å; Y47-F145 HydrophobicContact CE2-CE2 4.45Å; Y47-F145 HydrophobicContact CG-CB 4.19Å; Y47-F145 AromaticContact CG-CD2 3.97Å; Y47-F145 HydrophobicContact CG-CD2 3.97Å; Y47-F145 HydrophobicContact CG-CG 4.42Å; Y47-F149 AromaticContact CD1-CE2 3.72Å; Y47-F149 HydrophobicContact CD1-CE2 3.72Å; Y47-F149 AromaticContact CD1-CZ 3.86Å; Y47-F149 HydrophobicContact CD1-CZ 3.86Å; Y47-F149 HydrophobicContact CE1-CE2 4.41Å
48	P	95	Very high	89.7	Confident	20 Å²	20	80.8 Å²	80.8	13%	0.13	40%	0.404	C	S	.	.			trans	-59.1	151.9	166.6	26.3	-33.9	0	0	0	109.9	K50 M54 N148 F149	P48-K50 VanDerWaalsContact C-N 3.29Å; P48-M54 HydrophobicContact CB-CB 4.49Å; P48-M54 HydrophobicContact CG-CB 4.44Å; P48-M54 HydrophobicContact CG-SD 4.1Å; P48-N148 HydrophobicContact CG-CB 4.26Å; P48-N148 WeakPolarHBondContact CG-O 3.44Å; P48-N148 VanDerWaalsContact O-CB 3.24Å; P48-N148 WeakPolarHBondContact O-CB 3.38Å; P48-N148 PolarHBondContact O-ND2 3.13Å; P48-F149 HydrophobicContact CG-CD1 3.71Å; P48-F149 HydrophobicContact CG-CE1 3.94Å; P48-F149 HydrophobicContact CG-CG 4.13Å
49	L	94.7	Very high	89.9	Confident	148 Å²	148	79.6 Å²	79.6	78%	0.775	40%	0.398	S	S	*	.	S	Bend	trans	-72.1	-28.5	177.2	-64.7	170.8	0	0	0	112	L53 N148	L49-L53 HydrophobicContact CB-CD1 4.04Å; L49-L53 HydrophobicContact CD1-CD1 4.44Å; L49-N148 PolarHBondContact O-ND2 3.09Å
50	K	96.1	Very high	90.3	Very high	105 Å²	105	79.1 Å²	79.1	46%	0.457	40%	0.395	S	S	.	.	S	Bend	trans	-160.5	158.3	-179.9	58.4	-178.4	-166.5	166.1	0	109.7	P48 E52 L53 N148	P48-K50 VanDerWaalsContact C-N 3.29Å; K50-E52 WeakPolarHBondContact CB-OE2 3.38Å; K50-E52 WeakPolarHBondContact CD-OE2 3.02Å; K50-E52 WeakPolarHBondContact CE-OE2 3.23Å; K50-E52 WeakPolarHBondContact CG-OE2 3.39Å; K50-E52 IonicContact NZ-OE2 3.97Å; K50-E52 PolarHBondContact O-N 3.3Å; K50-E52 VanDerWaalsContact O-N 3.14Å; K50-L53 HydrophobicContact CD-CG 4.49Å; K50-L53 HydrophobicContact CG-CD1 3.88Å; K50-L53 HydrophobicContact CG-CG 3.8Å; K50-L53 PolarHBondContact O-N 3.39Å; K50-N148 CarbonylContact C-O 3.57Å
51	P	96.7	Very high	90	Very high	17 Å²	17	75.3 Å²	75.3	11%	0.11	39%	0.392	C	S	.	.	G	3₁₀ helix	trans	-54.9	-35.2	-173.5	-30.9	38.4	0	0	0	114.8	L53 M54 P147 N148 F150	P51-L53 PolarHBondContact O-N 3.24Å; P51-L53 VanDerWaalsContact O-N 3.12Å; P51-M54 WeakPolarHBondContact O-CB 3.22Å; P51-M54 PolarHBondContact O-N 3.14Å; P51-M54 VanDerWaalsContact O-N 3.1Å; P51-P147 WeakPolarHBondContact CD-O 3.46Å; P51-P147 WeakPolarHBondContact CG-O 3.3Å; P51-N148 WeakPolarHBondContact CA-O 3.37Å; P51-F150 VanDerWaalsContact CG-O 3.32Å; P51-F150 WeakPolarHBondContact CG-O 3.36Å
52	E	94.6	Very high	89.2	Confident	113 Å²	113	75.7 Å²	75.7	53%	0.528	40%	0.402	S	S	.	.	G	3₁₀ helix	trans	-66.3	-17.1	-177.9	-54.6	74.1	-156.6	0	0	113.4	K50 H151	K50-E52 WeakPolarHBondContact CB-OE2 3.38Å; K50-E52 WeakPolarHBondContact CD-OE2 3.02Å; K50-E52 WeakPolarHBondContact CE-OE2 3.23Å; K50-E52 WeakPolarHBondContact CG-OE2 3.39Å; K50-E52 IonicContact NZ-OE2 3.97Å; K50-E52 PolarHBondContact O-N 3.3Å; K50-E52 VanDerWaalsContact O-N 3.14Å; E52-H151 IonicContact OE1-CE1 3.93Å; E52-H151 PolarHBondContact OE1-CE1 3.3Å; E52-H151 IonicContact OE1-ND1 2.88Å
53	L	95.5	Very high	88.5	Confident	102 Å²	102	72.6 Å²	72.6	53%	0.534	38%	0.382	S	S	.	.	G	3₁₀ helix	trans	-93.9	1.3	179.8	-60.1	-179.8	0	0	0	112.8	L49 K50 P51 D55	L49-L53 HydrophobicContact CB-CD1 4.04Å; L49-L53 HydrophobicContact CD1-CD1 4.44Å; K50-L53 HydrophobicContact CD-CG 4.49Å; K50-L53 HydrophobicContact CG-CD1 3.88Å; K50-L53 HydrophobicContact CG-CG 3.8Å; K50-L53 PolarHBondContact O-N 3.39Å; P51-L53 PolarHBondContact O-N 3.24Å; P51-L53 VanDerWaalsContact O-N 3.12Å; L53-D55 PolarHBondContact O-N 3.18Å
54	M	94.2	Very high	87.6	Confident	34 Å²	34	73.6 Å²	73.6	17%	0.167	39%	0.394	C	S	.	.			trans	-79.7	111.8	176.6	-172	61.9	-170.2	0	0	110.4	P48 P51 W56 L59 I138 F149	P48-M54 HydrophobicContact CB-CB 4.49Å; P48-M54 HydrophobicContact CG-CB 4.44Å; P48-M54 HydrophobicContact CG-SD 4.1Å; P51-M54 WeakPolarHBondContact O-CB 3.22Å; P51-M54 PolarHBondContact O-N 3.14Å; P51-M54 VanDerWaalsContact O-N 3.1Å; M54-W56 HydrophobicContact CB-CZ2 4.36Å; M54-W56 HydrophobicContact CE-CE3 4.08Å; M54-W56 HydrophobicContact CE-CH2 4.26Å; M54-W56 HydrophobicContact CE-CZ3 3.93Å; M54-W56 HydrophobicContact CG-CD2 3.73Å; M54-W56 VanDerWaalsContact CG-CE2 3.4Å; M54-W56 HydrophobicContact CG-CE3 4.17Å; M54-W56 HydrophobicContact CG-CG 4.23Å; M54-W56 HydrophobicContact CG-CH2 4.06Å; M54-W56 HydrophobicContact CG-CZ2 3.61Å; M54-W56 HydrophobicContact CG-CZ3 4.31Å; M54-W56 PolarHBondContact O-N 3.17Å; M54-L59 HydrophobicContact CE-CD1 3.47Å; M54-L59 VanDerWaalsContact CE-CD1 3.47Å; M54-I138 HydrophobicContact CE-CD1 3.51Å; M54-I138 HydrophobicContact CE-CG1 4.4Å; M54-F149 HydrophobicContact CE-CD1 4.29Å; M54-F149 HydrophobicContact SD-CD1 3.89Å; M54-F149 HydrophobicContact SD-CE1 4.26Å
55	D	91.6	Very high	86.4	Confident	94 Å²	94	69.9 Å²	69.9	50%	0.503	37%	0.371	S	S	.	.			trans	-79.6	84.6	175	-178	1.9	0	0	0	110.5	L53 E57 K58	L53-D55 PolarHBondContact O-N 3.18Å; D55-E57 PolarHBondContact OD1-N 3.43Å; D55-K58 HydrophobicContact CB-CB 4.48Å; D55-K58 PolarHBondContact OD1-N 3.28Å; D55-K58 WeakPolarHBondContact OD2-CB 3.25Å
56	W	93	Very high	84.7	Confident	32 Å²	32	73.6 Å²	73.6	12%	0.121	40%	0.399	C	S	.	.			trans	-66	-36.1	179.8	-68.4	111.7	0	0	0	112.9	M54 K58 L59 F60 V79 V105 I138 F149 F150	M54-W56 HydrophobicContact CB-CZ2 4.36Å; M54-W56 HydrophobicContact CE-CE3 4.08Å; M54-W56 HydrophobicContact CE-CH2 4.26Å; M54-W56 HydrophobicContact CE-CZ3 3.93Å; M54-W56 HydrophobicContact CG-CD2 3.73Å; M54-W56 VanDerWaalsContact CG-CE2 3.4Å; M54-W56 HydrophobicContact CG-CE3 4.17Å; M54-W56 HydrophobicContact CG-CG 4.23Å; M54-W56 HydrophobicContact CG-CH2 4.06Å; M54-W56 HydrophobicContact CG-CZ2 3.61Å; M54-W56 HydrophobicContact CG-CZ3 4.31Å; M54-W56 PolarHBondContact O-N 3.17Å; W56-K58 VanDerWaalsContact C-N 3.28Å; W56-K58 PolarHBondContact O-N 2.68Å; W56-L59 HydrophobicContact CE3-CD1 4.2Å; W56-L59 HydrophobicContact CZ3-CD1 4.31Å; W56-L59 WeakPolarHBondContact O-CB 3.42Å; W56-L59 PolarHBondContact O-N 2.88Å; W56-F60 HydrophobicContact CB-CD2 4.3Å; W56-F60 HydrophobicContact CB-CE2 4.42Å; W56-F60 AromaticContact CE3-CE2 3.87Å; W56-F60 HydrophobicContact CE3-CE2 3.87Å; W56-F60 VanDerWaalsContact O-CD2 3.24Å; W56-F60 WeakPolarHBondContact O-CD2 3.41Å; W56-F60 PolarHBondContact O-N 3.44Å; W56-V79 HydrophobicContact CD2-CG2 3.9Å; W56-V79 HydrophobicContact CE3-CG2 3.64Å; W56-V79 HydrophobicContact CH2-CG2 4.01Å; W56-V79 HydrophobicContact CZ2-CG2 4.23Å; W56-V79 HydrophobicContact CZ3-CG2 3.71Å; W56-V105 HydrophobicContact CE3-CG2 4.46Å; W56-V105 HydrophobicContact CH2-CG2 4.41Å; W56-V105 HydrophobicContact CZ3-CG2 3.73Å; W56-I138 HydrophobicContact CH2-CD1 4.03Å; W56-I138 HydrophobicContact CZ3-CD1 3.7Å; W56-F149 WeakPolarHBondContact CZ2-O 3.49Å; W56-F150 HydrophobicContact CH2-CD1 4.09Å; W56-F150 AromaticContact CH2-CE1 3.38Å; W56-F150 HydrophobicContact CH2-CE1 3.38Å; W56-F150 AromaticContact CH2-CZ 3.88Å; W56-F150 HydrophobicContact CH2-CZ 3.88Å; W56-F150 AromaticContact CZ2-CD1 3.9Å; W56-F150 HydrophobicContact CZ2-CD1 3.9Å; W56-F150 AromaticContact CZ2-CE1 3.67Å; W56-F150 HydrophobicContact CZ2-CE1 3.67Å; W56-F150 HydrophobicContact CZ2-CZ 4.48Å; W56-F150 HydrophobicContact CZ3-CE1 4.46Å
57	E	90.5	Very high	83.1	Confident	62 Å²	62	70 Å²	70	29%	0.29	38%	0.384	S	S	.	.	T	Hydrogen-bonded Turn	trans	-62.9	-36.4	-175.1	-60.8	-50.8	134.5	0	0	111.9	D55 L59 F60 G62 R103	D55-E57 PolarHBondContact OD1-N 3.43Å; E57-L59 PolarHBondContact O-N 3.06Å; E57-L59 VanDerWaalsContact O-N 3.15Å; E57-F60 PolarHBondContact O-N 3.07Å; E57-G62 WeakPolarHBondContact O-CA 3.49Å; E57-G62 PolarHBondContact O-N 3Å; E57-G62 VanDerWaalsContact O-N 3.07Å; E57-R103 VanDerWaalsContact CD-NH2 3.31Å; E57-R103 IonicContact OE1-CZ 2.93Å; E57-R103 IonicContact OE1-NH1 3.15Å; E57-R103 PolarHBondContact OE1-NH1 3.45Å; E57-R103 IonicContact OE1-NH2 3.17Å; E57-R103 PolarHBondContact OE1-NH2 2.83Å; E57-R103 IonicContact OE2-CZ 2.72Å; E57-R103 IonicContact OE2-NH1 3.55Å; E57-R103 IonicContact OE2-NH2 3.87Å; E57-R103 PolarHBondContact OE2-NH2 2.92Å
58	K	90.1	Very high	81.6	Confident	169 Å²	169	68.1 Å²	68.1	74%	0.735	38%	0.378	S	S	*	.	T	Hydrogen-bonded Turn	trans	-55.7	-30.4	172.4	-177	177.6	179.8	-179.3	0	113.4	D55 W56	D55-K58 HydrophobicContact CB-CB 4.48Å; D55-K58 PolarHBondContact OD1-N 3.28Å; D55-K58 WeakPolarHBondContact OD2-CB 3.25Å; W56-K58 VanDerWaalsContact C-N 3.28Å; W56-K58 PolarHBondContact O-N 2.68Å
59	L	92.8	Very high	79.6	Confident	38 Å²	38	71.1 Å²	71.1	20%	0.199	40%	0.4	C	S	.	.	T	Hydrogen-bonded Turn	trans	-87.7	-34.3	-179.1	-60.1	-177.3	0	0	0	112.8	M54 W56 E57 G61 R125 A136 I138	M54-L59 HydrophobicContact CE-CD1 3.47Å; M54-L59 VanDerWaalsContact CE-CD1 3.47Å; W56-L59 HydrophobicContact CE3-CD1 4.2Å; W56-L59 HydrophobicContact CZ3-CD1 4.31Å; W56-L59 WeakPolarHBondContact O-CB 3.42Å; W56-L59 PolarHBondContact O-N 2.88Å; E57-L59 PolarHBondContact O-N 3.06Å; E57-L59 VanDerWaalsContact O-N 3.15Å; L59-G61 VanDerWaalsContact C-N 3.29Å; L59-G61 PolarHBondContact O-N 2.96Å; L59-R125 PolarHBondContact O-NH1 3.08Å; L59-R125 VanDerWaalsContact O-NH1 3.14Å; L59-R125 PolarHBondContact O-NH2 3.29Å; L59-A136 HydrophobicContact CB-CB 3.74Å; L59-I138 HydrophobicContact CD1-CD1 3.82Å; L59-I138 HydrophobicContact CD1-CG1 3.69Å
60	F	92.5	Very high	77.7	Confident	1 Å²	1	67.7 Å²	67.7	0%	0.004	39%	0.385	C	S	.	.	T	Hydrogen-bonded Turn	trans	-89.8	26.3	-174.4	-70.8	-71.1	0	0	0	114.7	W56 E57 V79 R103 V105 N133 N134 A136	W56-F60 HydrophobicContact CB-CD2 4.3Å; W56-F60 HydrophobicContact CB-CE2 4.42Å; W56-F60 AromaticContact CE3-CE2 3.87Å; W56-F60 HydrophobicContact CE3-CE2 3.87Å; W56-F60 VanDerWaalsContact O-CD2 3.24Å; W56-F60 WeakPolarHBondContact O-CD2 3.41Å; W56-F60 PolarHBondContact O-N 3.44Å; E57-F60 PolarHBondContact O-N 3.07Å; F60-V79 HydrophobicContact CE2-CG2 3.65Å; F60-V79 HydrophobicContact CZ-CG2 3.75Å; F60-R103 HydrophobicContact CD1-CG 4.04Å; F60-R103 HydrophobicContact CD2-CG 4.37Å; F60-R103 HydrophobicContact CE1-CB 3.96Å; F60-R103 HydrophobicContact CE1-CG 3.83Å; F60-R103 HydrophobicContact CE2-CB 4.32Å; F60-R103 HydrophobicContact CE2-CG 4.2Å; F60-R103 HydrophobicContact CG-CG 4.3Å; F60-R103 HydrophobicContact CZ-CB 3.78Å; F60-R103 HydrophobicContact CZ-CG 3.92Å; F60-V105 HydrophobicContact CE2-CG2 4.31Å; F60-V105 HydrophobicContact CZ-CG2 3.67Å; F60-N133 WeakPolarHBondContact CB-O 3.34Å; F60-N133 VanDerWaalsContact CD1-O 3.28Å; F60-N133 WeakPolarHBondContact CD1-O 3.36Å; F60-N134 WeakPolarHBondContact CE1-O 3.38Å; F60-A136 HydrophobicContact CD1-CB 4.08Å; F60-A136 HydrophobicContact CE1-CB 3.69Å; F60-A136 HydrophobicContact CE2-CB 4.27Å; F60-A136 HydrophobicContact CZ-CB 3.79Å
61	G	77.3	Confident	75.6	Confident	37 Å²	37	69.3 Å²	69.3	38%	0.381	40%	0.399	S	S	.	.	T	Hydrogen-bonded Turn	trans	95.5	-3.4	171.6	0	0	0	0	0	114.6	L59 E63	L59-G61 VanDerWaalsContact C-N 3.29Å; L59-G61 PolarHBondContact O-N 2.96Å; G61-E63 PolarHBondContact O-N 3.4Å
62	G	67.7	Low	73.6	Confident	49 Å²	49	76.7 Å²	76.7	51%	0.505	44%	0.437	S	S	.	.	S	Bend	trans	74.4	-5.2	175.1	0	0	0	0	0	115.2	E57	E57-G62 WeakPolarHBondContact O-CA 3.49Å; E57-G62 PolarHBondContact O-N 3Å; E57-G62 VanDerWaalsContact O-N 3.07Å
63	E	62.9	Low	71.9	Confident	105 Å²	105	75.4 Å²	75.4	49%	0.491	43%	0.434	S	S	.	.			trans	-74.2	126.6	174.4	-73.8	-61.2	148.3	0	0	109.9	G61 V65	G61-E63 PolarHBondContact O-N 3.4Å; E63-V65 PolarHBondContact O-N 3.11Å
64	P	60.2	Low	70.6	Confident	75 Å²	75	76 Å²	76	49%	0.487	45%	0.447	S	S	.	.			trans	-57.4	139.5	179.3	-21.1	30.5	0	0	0	110.9	S66 S67	P64-S66 PolarHBondContact O-N 3.37Å; P64-S67 PolarHBondContact O-N 3.46Å; P64-S67 PolarHBondContact O-OG 2.87Å
65	V	60.7	Low	70	Confident	43 Å²	43	75.2 Å²	75.2	26%	0.261	44%	0.442	S	S	.	.	G	3₁₀ helix	trans	-48.2	-31	-179.7	174.2	0	0	0	0	113.5	E63 S67 L68 F75 P77	E63-V65 PolarHBondContact O-N 3.11Å; V65-S67 PolarHBondContact O-N 3.26Å; V65-L68 PolarHBondContact O-N 3.25Å; V65-F75 HydrophobicContact CG1-CD1 3.85Å; V65-P77 HydrophobicContact CB-CB 4.45Å; V65-P77 HydrophobicContact CG1-CB 4.13Å; V65-P77 HydrophobicContact CG2-CB 3.59Å
66	S	52.7	Low	69.5	Low	100 Å²	100	72.8 Å²	72.8	70%	0.699	43%	0.429	S	S	*	.	G	3₁₀ helix	trans	-59.8	-21	175.6	54.7	0	0	0	0	114.7	P64	P64-S66 PolarHBondContact O-N 3.37Å
67	S	55.5	Low	69.3	Low	66 Å²	66	73.9 Å²	73.9	46%	0.462	44%	0.441	S	S	.	.	G	3₁₀ helix	trans	-88.3	-8.7	176.3	66.6	0	0	0	0	113.6	P64 V65	P64-S67 PolarHBondContact O-N 3.46Å; P64-S67 PolarHBondContact O-OG 2.87Å; V65-S67 PolarHBondContact O-N 3.26Å
68	L	58.3	Low	69.4	Low	20 Å²	20	73.2 Å²	73.2	11%	0.105	44%	0.44	C	S	.	.			trans	-95.7	5.6	-176.6	-65.6	168.4	0	0	0	113.7	V65 V70 F75 N133	V65-L68 PolarHBondContact O-N 3.25Å; L68-V70 PolarHBondContact O-N 3.35Å; L68-F75 HydrophobicContact CB-CB 4.2Å; L68-F75 HydrophobicContact CB-CD1 4.39Å; L68-F75 HydrophobicContact CB-CD2 3.91Å; L68-F75 HydrophobicContact CB-CE2 4.38Å; L68-F75 HydrophobicContact CB-CG 3.91Å; L68-F75 HydrophobicContact CD1-CD1 4.12Å; L68-F75 HydrophobicContact CD1-CD2 4.24Å; L68-F75 HydrophobicContact CD1-CE1 3.77Å; L68-F75 HydrophobicContact CD1-CE2 3.93Å; L68-F75 HydrophobicContact CD1-CG 4.33Å; L68-F75 HydrophobicContact CD1-CZ 3.67Å; L68-N133 HydrophobicContact CD2-CB 4.07Å
69	S	54.6	Low	69.8	Low	83 Å²	83	65.1 Å²	65.1	58%	0.58	41%	0.405	S	S	*	.			trans	-70.3	102.9	173.6	60.3	0	0	0	0	110.3
70	V	53.5	Low	70	Confident	77 Å²	77	65.7 Å²	65.7	47%	0.467	41%	0.405	S	S	.	.			trans	-107.4	122.2	171.6	-174.6	0	0	0	0	107.9	L68 N73 F101	L68-V70 PolarHBondContact O-N 3.35Å; V70-N73 PolarHBondContact O-N 3.48Å; V70-F101 HydrophobicContact CB-CE1 3.99Å; V70-F101 HydrophobicContact CB-CZ 4.24Å
71	N	52.7	Low	70.3	Confident	139 Å²	139	66 Å²	66	74%	0.743	41%	0.406	S	S	*	.	T	Hydrogen-bonded Turn	trans	57.9	49.6	172	-57.5	-21.3	0	0	0	115.8	N73	N71-N73 PolarHBondContact O-N 3.07Å
72	N	53.7	Low	71.3	Confident	171 Å²	171	64.3 Å²	64.3	91%	0.914	39%	0.388	S	S	*	.	T	Hydrogen-bonded Turn	trans	60.9	4.3	177.6	-69	-20.1	0	0	0	116.6
73	N	59.8	Low	72.8	Confident	86 Å²	86	62.1 Å²	62.1	46%	0.46	37%	0.365	S	S	.	.			trans	-84.2	130.7	172.9	-78.7	-13.9	0	0	0	110.3	V70 N71 F75 F101	V70-N73 PolarHBondContact O-N 3.48Å; N71-N73 PolarHBondContact O-N 3.07Å; N73-F75 PolarHBondContact O-N 3.08Å; N73-F101 HydrophobicContact CB-CD1 4.25Å; N73-F101 HydrophobicContact CB-CE1 4.03Å; N73-F101 HydrophobicContact CB-CE2 4.33Å; N73-F101 HydrophobicContact CB-CG 4.49Å; N73-F101 HydrophobicContact CB-CZ 4.08Å
74	S	68.7	Low	74.5	Confident	115 Å²	115	57.6 Å²	57.6	80%	0.804	34%	0.344	S	S	*	.			trans	-73	114.5	175.6	55.2	0	0	0	0	109.5	D76	S74-D76 PolarHBondContact O-N 2.98Å
75	F	80.1	Confident	76.2	Confident	18 Å²	18	56 Å²	56	8%	0.079	34%	0.342	C	S	.	.			trans	-65.8	127.6	168.9	-177.7	-86.6	0	0	0	109.6	V65 L68 N73 P77 R103 N134	V65-F75 HydrophobicContact CG1-CD1 3.85Å; L68-F75 HydrophobicContact CB-CB 4.2Å; L68-F75 HydrophobicContact CB-CD1 4.39Å; L68-F75 HydrophobicContact CB-CD2 3.91Å; L68-F75 HydrophobicContact CB-CE2 4.38Å; L68-F75 HydrophobicContact CB-CG 3.91Å; L68-F75 HydrophobicContact CD1-CD1 4.12Å; L68-F75 HydrophobicContact CD1-CD2 4.24Å; L68-F75 HydrophobicContact CD1-CE1 3.77Å; L68-F75 HydrophobicContact CD1-CE2 3.93Å; L68-F75 HydrophobicContact CD1-CG 4.33Å; L68-F75 HydrophobicContact CD1-CZ 3.67Å; N73-F75 PolarHBondContact O-N 3.08Å; F75-P77 VanDerWaalsContact O-CD 3.29Å; F75-P77 WeakPolarHBondContact O-CD 3.43Å; F75-R103 HydrophobicContact CE1-CG 3.99Å; F75-R103 HydrophobicContact CZ-CG 3.69Å; F75-N134 HydrophobicContact CE2-CB 4.12Å; F75-N134 HydrophobicContact CZ-CB 4.4Å
76	D	82.3	Confident	78	Confident	42 Å²	42	54.6 Å²	54.6	23%	0.225	33%	0.334	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-82.4	113	175.1	-170.6	-10.6	0	0	0	109.8	S74 V78 R80 F101	S74-D76 PolarHBondContact O-N 2.98Å; D76-V78 PolarHBondContact O-N 2.91Å; D76-V78 VanDerWaalsContact OD1-CB 3.28Å; D76-V78 WeakPolarHBondContact OD1-CB 3.28Å; D76-V78 PolarHBondContact OD1-N 2.84Å; D76-R80 IonicContact OD1-NH2 3.79Å; D76-R80 IonicContact OD2-CZ 3.35Å; D76-R80 VanDerWaalsContact OD2-CZ 3.31Å; D76-R80 IonicContact OD2-NE 2.8Å; D76-R80 PolarHBondContact OD2-NE 2.99Å; D76-R80 IonicContact OD2-NH2 3.04Å; D76-R80 PolarHBondContact OD2-NH2 3.32Å; D76-F101 PolarHBondContact N-O 3.48Å
77	P	87.6	Confident	80	Confident	56 Å²	56	50.2 Å²	50.2	36%	0.364	30%	0.304	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-71.2	-10	178.3	33.1	-38.1	0	0	0	112.9	V65 F75 R103	V65-P77 HydrophobicContact CB-CB 4.45Å; V65-P77 HydrophobicContact CG1-CB 4.13Å; V65-P77 HydrophobicContact CG2-CB 3.59Å; F75-P77 VanDerWaalsContact O-CD 3.29Å; F75-P77 WeakPolarHBondContact O-CD 3.43Å; P77-R103 WeakPolarHBondContact O-CD 3.48Å; P77-R103 PolarHBondContact O-NH1 2.73Å
78	V	93.8	Very high	82	Confident	47 Å²	47	48.4 Å²	48.4	29%	0.285	29%	0.288	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-87.5	136.7	-179.4	-176.2	0	0	0	0	109.8	D76 R80 Q154	D76-V78 PolarHBondContact O-N 2.91Å; D76-V78 VanDerWaalsContact OD1-CB 3.28Å; D76-V78 WeakPolarHBondContact OD1-CB 3.28Å; D76-V78 PolarHBondContact OD1-N 2.84Å; V78-R80 PolarHBondContact O-N 3.01Å; V78-Q154 HydrophobicContact CG1-CG 3.33Å
79	V	97.4	Very high	83.8	Confident	0 Å²	0	47.4 Å²	47.4	0%	0	28%	0.283	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-65	121.8	171.1	178.5	0	0	0	0	109.2	W56 F60 R103 V105 F150 Q154 L155	W56-V79 HydrophobicContact CD2-CG2 3.9Å; W56-V79 HydrophobicContact CE3-CG2 3.64Å; W56-V79 HydrophobicContact CH2-CG2 4.01Å; W56-V79 HydrophobicContact CZ2-CG2 4.23Å; W56-V79 HydrophobicContact CZ3-CG2 3.71Å; F60-V79 HydrophobicContact CE2-CG2 3.65Å; F60-V79 HydrophobicContact CZ-CG2 3.75Å; V79-R103 HydrophobicContact CG2-CB 4.23Å; V79-V105 HydrophobicContact CB-CG2 4.25Å; V79-V105 HydrophobicContact CG1-CB 4.02Å; V79-V105 HydrophobicContact CG1-CG2 3.53Å; V79-V105 HydrophobicContact CG2-CG2 3.66Å; V79-F150 HydrophobicContact CB-CE1 4.19Å; V79-F150 HydrophobicContact CG1-CE1 3.92Å; V79-Q154 PolarHBondContact O-NE2 3.35Å; V79-Q154 VanDerWaalsContact O-NE2 3.11Å; V79-L155 HydrophobicContact CG1-CD2 4.28Å
80	R	98.1	Very high	85.8	Confident	50 Å²	50	44.2 Å²	44.2	19%	0.189	26%	0.262	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-110.3	-27.8	178.4	-59.5	-54.1	-176.2	171.2	1.7	113.6	D76 V78 T102 R103 Q154 L155 H156 K157	D76-R80 IonicContact OD1-NH2 3.79Å; D76-R80 IonicContact OD2-CZ 3.35Å; D76-R80 VanDerWaalsContact OD2-CZ 3.31Å; D76-R80 IonicContact OD2-NE 2.8Å; D76-R80 PolarHBondContact OD2-NE 2.99Å; D76-R80 IonicContact OD2-NH2 3.04Å; D76-R80 PolarHBondContact OD2-NH2 3.32Å; V78-R80 PolarHBondContact O-N 3.01Å; R80-T102 HydrophobicContact CB-CG2 3.69Å; R80-T102 HydrophobicContact CG-CG2 4.17Å; R80-R103 PolarHBondContact N-O 3.36Å; R80-Q154 WeakPolarHBondContact CD-O 3.47Å; R80-Q154 PolarHBondContact NH1-O 3.49Å; R80-L155 CarbonylContact O-C 3.55Å; R80-L155 WeakPolarHBondContact O-CA 3.49Å; R80-H156 HydrophobicContact CB-CB 4.25Å; R80-H156 PolarHBondContact O-N 2.7Å; R80-K157 PolarHBondContact O-N 3.3Å
81	F	98.5	Very high	87.9	Confident	8 Å²	8	40.5 Å²	40.5	4%	0.035	24%	0.24	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-113.5	133.4	-175.3	-68.6	-2.1	0	0	0	111	L95 Y99 T102 R103 S104 V105 H156 K157 F159	F81-L95 HydrophobicContact CD2-CD1 4.35Å; F81-L95 HydrophobicContact CD2-CD2 4.11Å; F81-L95 HydrophobicContact CE2-CD2 4.41Å; F81-Y99 AromaticContact CE2-CD1 3.65Å; F81-Y99 HydrophobicContact CE2-CD1 3.65Å; F81-Y99 AromaticContact CE2-CD2 3.86Å; F81-Y99 HydrophobicContact CE2-CD2 3.86Å; F81-Y99 HydrophobicContact CE2-CE1 4.01Å; F81-Y99 HydrophobicContact CE2-CE2 4.22Å; F81-Y99 AromaticContact CE2-CG 3.57Å; F81-Y99 HydrophobicContact CE2-CG 3.57Å; F81-Y99 AromaticContact CZ-CD1 3.91Å; F81-Y99 HydrophobicContact CZ-CD1 3.91Å; F81-Y99 HydrophobicContact CZ-CE1 4.07Å; F81-Y99 HydrophobicContact CZ-CG 4.3Å; F81-T102 HydrophobicContact CD1-CG2 4.06Å; F81-T102 HydrophobicContact CD2-CG2 4Å; F81-T102 HydrophobicContact CE1-CG2 3.93Å; F81-T102 HydrophobicContact CE2-CG2 3.91Å; F81-T102 HydrophobicContact CG-CG2 4.07Å; F81-T102 HydrophobicContact CZ-CG2 3.85Å; F81-R103 PolarHBondContact N-O 3.11Å; F81-S104 WeakPolarHBondContact CB-OG 3.2Å; F81-S104 WeakPolarHBondContact CD2-OG 3.3Å; F81-S104 CarbonylContact O-C 3.55Å; F81-S104 WeakPolarHBondContact O-CA 3.49Å; F81-V105 PolarHBondContact O-N 3.32Å; F81-H156 HydrophobicContact CD1-CB 4.34Å; F81-H156 HydrophobicContact CE1-CB 4.05Å; F81-K157 WeakPolarHBondContact CA-O 3.46Å; F81-K157 HydrophobicContact CD1-CB 3.61Å; F81-K157 HydrophobicContact CD1-CD 3.94Å; F81-K157 HydrophobicContact CD1-CG 3.72Å; F81-K157 HydrophobicContact CE1-CB 4Å; F81-K157 HydrophobicContact CE1-CD 3.5Å; F81-K157 HydrophobicContact CE1-CG 3.53Å; F81-K157 HydrophobicContact CE2-CD 4.2Å; F81-K157 HydrophobicContact CG-CB 4.22Å; F81-K157 HydrophobicContact CZ-CD 3.66Å; F81-K157 HydrophobicContact CZ-CG 4.22Å; F81-F159 HydrophobicContact CB-CE2 4.07Å; F81-F159 HydrophobicContact CG-CE2 4.32Å
82	L	98.7	Very high	90	Very high	0 Å²	0	33.9 Å²	33.9	0%	0	21%	0.205	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-128.1	111.4	-176.8	-170.8	66.7	0	0	0	111.6	V84 V105 L107 F150 L155 K157 I158 F159	L82-V84 HydrophobicContact CD2-CG2 3.89Å; L82-V84 HydrophobicContact CG-CG2 3.93Å; L82-V105 CarbonylContact C-O 3.35Å; L82-V105 WeakPolarHBondContact CA-O 3.28Å; L82-V105 HydrophobicContact CD1-CB 4.18Å; L82-V105 HydrophobicContact CD1-CG1 4.27Å; L82-L107 HydrophobicContact CD1-CD1 3.83Å; L82-L107 HydrophobicContact CD1-CD2 3.92Å; L82-L107 HydrophobicContact CD1-CG 3.65Å; L82-L107 HydrophobicContact CD2-CD1 4.11Å; L82-L107 HydrophobicContact CG-CD1 4.21Å; L82-L107 HydrophobicContact CG-CG 4.35Å; L82-F150 HydrophobicContact CD1-CE1 4.4Å; L82-F150 HydrophobicContact CD1-CE2 3.82Å; L82-F150 HydrophobicContact CD1-CZ 3.45Å; L82-F150 VanDerWaalsContact CD1-CZ 3.45Å; L82-F150 HydrophobicContact CD2-CE2 3.88Å; L82-F150 HydrophobicContact CD2-CZ 4.29Å; L82-F150 HydrophobicContact CG-CZ 4.46Å; L82-L155 HydrophobicContact CB-CD1 3.96Å; L82-L155 HydrophobicContact CB-CD2 4.31Å; L82-L155 HydrophobicContact CD2-CD1 3.7Å; L82-L155 HydrophobicContact CG-CD1 4.43Å; L82-K157 PolarHBondContact N-O 2.86Å; L82-I158 HydrophobicContact CB-CG1 4.32Å; L82-I158 CarbonylContact O-C 3.6Å; L82-I158 WeakPolarHBondContact O-CA 3.16Å; L82-F159 WeakPolarHBondContact O-CD2 3.48Å; L82-F159 PolarHBondContact O-N 3.26Å
83	D	98.6	Very high	92.1	Very high	4 Å²	4	26.6 Å²	26.6	2%	0.021	17%	0.165	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-93.5	99.7	175.2	-178.2	10.7	0	0	0	109.9	C86 L91 V105 G106 L107	D83-C86 HydrophobicContact CB-CB 4.06Å; D83-C86 VanDerWaalsContact CG-CB 3.43Å; D83-C86 WeakPolarHBondContact OD2-CA 3.19Å; D83-C86 WeakPolarHBondContact OD2-CB 3.39Å; D83-L91 HydrophobicContact CB-CD2 4.12Å; D83-V105 PolarHBondContact N-O 3.31Å; D83-G106 CarbonylContact O-C 2.83Å; D83-G106 WeakPolarHBondContact O-CA 3.42Å; D83-L107 PolarHBondContact O-N 2.86Å
84	V	98.3	Very high	93.8	Very high	9 Å²	9	25.1 Å²	25.1	6%	0.055	16%	0.157	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-86.4	116.6	-172.5	-178.6	0	0	0	0	110.5	L82 A142 I158 F159 F160 I176	L82-V84 HydrophobicContact CD2-CG2 3.89Å; L82-V84 HydrophobicContact CG-CG2 3.93Å; V84-A142 HydrophobicContact CG1-CB 3.44Å; V84-A142 VanDerWaalsContact CG1-CB 3.44Å; V84-I158 HydrophobicContact CG2-CG2 3.77Å; V84-F159 WeakPolarHBondContact CB-O 3.35Å; V84-F159 PolarHBondContact N-O 2.76Å; V84-F160 HydrophobicContact CB-CD1 3.75Å; V84-F160 HydrophobicContact CB-CE1 3.62Å; V84-F160 HydrophobicContact CG1-CD1 3.98Å; V84-F160 HydrophobicContact CG1-CE1 3.7Å; V84-F160 HydrophobicContact CG2-CD1 4.35Å; V84-F160 HydrophobicContact CG2-CE1 3.8Å; V84-F160 HydrophobicContact CG2-CZ 4.25Å; V84-I176 HydrophobicContact CG1-CD1 4.12Å; V84-I176 HydrophobicContact CG1-CG1 3.83Å
85	G	96.9	Very high	95.2	Very high	43 Å²	43	19.7 Å²	19.7	44%	0.443	12%	0.119	S	C	.	.	T	Hydrogen-bonded Turn	trans	73.6	47.1	-172.7	0	0	0	0	0	111.1	G87 L107	G85-G87 PolarHBondContact O-N 3.29Å; G85-L107 CarbonylContact C-O 3.59Å; G85-L107 WeakPolarHBondContact CA-O 3.04Å; G85-L107 PolarHBondContact N-O 2.87Å
86	C	97.4	Very high	95.9	Very high	12 Å²	12	19 Å²	19	8%	0.081	12%	0.117	C	C	.	.			trans	-61.7	-9.2	-167.9	66.8	0	0	0	0	115.3	D83 Y88 G89 L107	D83-C86 HydrophobicContact CB-CB 4.06Å; D83-C86 VanDerWaalsContact CG-CB 3.43Å; D83-C86 WeakPolarHBondContact OD2-CA 3.19Å; D83-C86 WeakPolarHBondContact OD2-CB 3.39Å; C86-Y88 PolarHBondContact O-N 2.66Å; C86-G89 WeakPolarHBondContact O-CA 3.47Å; C86-G89 PolarHBondContact O-N 3.05Å; C86-L107 PolarHBondContact N-O 2.96Å
87	G	96.3	Very high	96.4	Very high	8 Å²	8	20.3 Å²	20.3	8%	0.082	13%	0.126	C	C	.	.	T	Hydrogen-bonded Turn	trans	57.2	-135.3	-177.4	0	0	0	0	0	111.2	G85 G89 E108 V113 V117	G85-G87 PolarHBondContact O-N 3.29Å; G87-G89 PolarHBondContact O-N 2.79Å; G87-G89 VanDerWaalsContact O-N 3.08Å; G87-E108 WeakPolarHBondContact CA-OE2 3.18Å; G87-E108 PolarHBondContact N-OE2 2.88Å; G87-V113 WeakPolarHBondContact O-CG1 3.21Å; G87-V117 VanDerWaalsContact O-CG2 3.27Å; G87-V117 WeakPolarHBondContact O-CG2 3.25Å
88	Y	96.3	Very high	96.7	Very high	28 Å²	28	19 Å²	19	11%	0.11	12%	0.118	C	C	.	.	T	Hydrogen-bonded Turn	trans	-75.4	14.4	176.7	-65.3	-81.7	0	0	0	113.7	K28 C86 F93 V113 F116 V117 E281	K28-Y88 HydrophobicContact CB-CE1 4.48Å; K28-Y88 HydrophobicContact CD-CD1 4.07Å; K28-Y88 HydrophobicContact CD-CG 4.06Å; K28-Y88 HydrophobicContact CG-CD1 4.05Å; K28-Y88 HydrophobicContact CG-CE1 4.35Å; C86-Y88 PolarHBondContact O-N 2.66Å; Y88-F93 VanDerWaalsContact O-CE2 3.3Å; Y88-F93 WeakPolarHBondContact O-CE2 3.28Å; Y88-V113 HydrophobicContact CD1-CG1 4.06Å; Y88-V113 HydrophobicContact CD2-CG1 4.49Å; Y88-V113 HydrophobicContact CE1-CG1 4.21Å; Y88-V113 HydrophobicContact CE1-CG2 4.23Å; Y88-V113 HydrophobicContact CG-CG1 4.22Å; Y88-F116 HydrophobicContact CD1-CB 4.29Å; Y88-F116 AromaticContact CD1-CD1 3.53Å; Y88-F116 HydrophobicContact CD1-CD1 3.53Å; Y88-F116 AromaticContact CD1-CE1 3.94Å; Y88-F116 HydrophobicContact CD1-CE1 3.94Å; Y88-F116 AromaticContact CD1-CG 3.87Å; Y88-F116 HydrophobicContact CD1-CG 3.87Å; Y88-F116 HydrophobicContact CE1-CD1 4.48Å; Y88-F116 HydrophobicContact CE1-CG 4.41Å; Y88-F116 HydrophobicContact CG-CD1 4.31Å; Y88-F116 HydrophobicContact CG-CE1 4.43Å; Y88-V117 VanDerWaalsContact C-CG2 3.46Å; Y88-E281 WeakPolarHBondContact CD2-OE2 3.47Å
89	G	97	Very high	96.7	Very high	0 Å²	0	17.3 Å²	17.3	0%	0	11%	0.107	C	C	.	.			trans	81.3	17.8	168	0	0	0	0	0	115.4	C86 G87 L91 L92 F93	C86-G89 WeakPolarHBondContact O-CA 3.47Å; C86-G89 PolarHBondContact O-N 3.05Å; G87-G89 PolarHBondContact O-N 2.79Å; G87-G89 VanDerWaalsContact O-N 3.08Å; G89-L91 PolarHBondContact O-N 3.15Å; G89-L92 WeakPolarHBondContact O-CB 3.36Å; G89-L92 PolarHBondContact O-N 3.07Å; G89-L92 VanDerWaalsContact O-N 3.14Å; G89-F93 WeakPolarHBondContact O-CD2 3.38Å; G89-F93 WeakPolarHBondContact O-CE2 2.77Å; G89-F93 WeakPolarHBondContact O-CG 3.43Å; G89-F93 PolarHBondContact O-N 2.84Å
90	G	96.1	Very high	96.4	Very high	15 Å²	15	19.9 Å²	19.9	16%	0.155	12%	0.123	C	C	.	.	H	α-helix	trans	-51.9	-53.5	-175.9	0	0	0	0	0	113.1	F93 N94 C279	G90-F93 PolarHBondContact O-N 3.44Å; G90-N94 PolarHBondContact O-N 3.13Å; G90-N94 PolarHBondContact O-ND2 2.96Å; G90-C279 CarbonylContact C-O 3.56Å; G90-C279 WeakPolarHBondContact CA-O 3.49Å
91	L	97.8	Very high	96	Very high	0 Å²	0	19.6 Å²	19.6	0%	0	12%	0.124	C	C	.	.	H	α-helix	trans	-61.4	-47.5	177.1	170.7	66.7	0	0	0	110.3	D83 G89 F93 N94 L95 F159 L161 C279 T280	D83-L91 HydrophobicContact CB-CD2 4.12Å; G89-L91 PolarHBondContact O-N 3.15Å; L91-F93 VanDerWaalsContact C-N 3.31Å; L91-F93 PolarHBondContact O-N 2.94Å; L91-N94 WeakPolarHBondContact O-CB 3.43Å; L91-N94 PolarHBondContact O-N 3.08Å; L91-L95 HydrophobicContact CD1-CD1 4.09Å; L91-L95 HydrophobicContact CD1-CD2 4.08Å; L91-L95 HydrophobicContact CD1-CG 3.77Å; L91-L95 HydrophobicContact CD2-CD1 4.1Å; L91-L95 HydrophobicContact CG-CD1 3.77Å; L91-L95 HydrophobicContact CG-CG 3.93Å; L91-L95 WeakPolarHBondContact O-CG 3.27Å; L91-L95 PolarHBondContact O-N 3.3Å; L91-F159 HydrophobicContact CD2-CB 3.62Å; L91-F159 HydrophobicContact CD2-CD1 3.62Å; L91-F159 HydrophobicContact CD2-CD2 3.79Å; L91-F159 HydrophobicContact CD2-CE1 4.19Å; L91-F159 HydrophobicContact CD2-CE2 4.37Å; L91-F159 HydrophobicContact CD2-CG 3.4Å; L91-F159 VanDerWaalsContact CD2-CG 3.4Å; L91-L161 HydrophobicContact CB-CD1 3.93Å; L91-L161 HydrophobicContact CD1-CD1 4.42Å; L91-L161 HydrophobicContact CD2-CD1 3.56Å; L91-L161 HydrophobicContact CD2-CG 4.31Å; L91-L161 HydrophobicContact CG-CD1 4.14Å; L91-C279 PolarHBondContact N-O 2.96Å; L91-T280 HydrophobicContact CB-CG2 4.13Å
92	L	97.2	Very high	95.8	Very high	0 Å²	0	20.7 Å²	20.7	0%	0	13%	0.131	C	C	.	.	H	α-helix	trans	-53.2	-44.8	-179.7	-171.2	67.5	0	0	0	112.7	G89 N94 L95 S96 V117 I121 I135 A136	G89-L92 WeakPolarHBondContact O-CB 3.36Å; G89-L92 PolarHBondContact O-N 3.07Å; G89-L92 VanDerWaalsContact O-N 3.14Å; L92-N94 VanDerWaalsContact C-N 3.35Å; L92-N94 PolarHBondContact O-N 3.17Å; L92-L95 PolarHBondContact O-N 3.4Å; L92-S96 PolarHBondContact O-N 2.92Å; L92-V117 HydrophobicContact CD2-CG1 4.16Å; L92-I121 HydrophobicContact CD2-CD1 3.91Å; L92-I135 HydrophobicContact CD1-CB 3.77Å; L92-I135 HydrophobicContact CD1-CG2 3.78Å; L92-I135 HydrophobicContact CD2-CB 4.29Å; L92-I135 HydrophobicContact CD2-CD1 4.36Å; L92-I135 HydrophobicContact CG-CB 3.81Å; L92-I135 HydrophobicContact CG-CD1 4.01Å; L92-I135 HydrophobicContact CG-CG2 4.05Å; L92-I135 WeakPolarHBondContact O-CG2 3.41Å; L92-A136 VanDerWaalsContact CD2-O 3.28Å; L92-A136 WeakPolarHBondContact CD2-O 3.41Å
93	F	96.9	Very high	95.7	Very high	17 Å²	17	20.7 Å²	20.7	8%	0.075	13%	0.131	C	C	.	.	H	α-helix	trans	-65.1	-36.9	177.3	-59.7	-55	0	0	0	112.9	Y88 G89 G90 L91 S96 V117 K120 I121 L124 I135	Y88-F93 VanDerWaalsContact O-CE2 3.3Å; Y88-F93 WeakPolarHBondContact O-CE2 3.28Å; G89-F93 WeakPolarHBondContact O-CD2 3.38Å; G89-F93 WeakPolarHBondContact O-CE2 2.77Å; G89-F93 WeakPolarHBondContact O-CG 3.43Å; G89-F93 PolarHBondContact O-N 2.84Å; G90-F93 PolarHBondContact O-N 3.44Å; L91-F93 VanDerWaalsContact C-N 3.31Å; L91-F93 PolarHBondContact O-N 2.94Å; F93-S96 WeakPolarHBondContact O-CB 3.29Å; F93-S96 PolarHBondContact O-N 3.45Å; F93-V117 HydrophobicContact CZ-CG1 4.34Å; F93-K120 HydrophobicContact CD2-CD 4.34Å; F93-K120 HydrophobicContact CE1-CB 4.28Å; F93-K120 HydrophobicContact CE1-CD 4.14Å; F93-K120 HydrophobicContact CE1-CG 3.91Å; F93-K120 HydrophobicContact CE2-CD 3.51Å; F93-K120 HydrophobicContact CE2-CG 4.18Å; F93-K120 VanDerWaalsContact CE2-NZ 3.3Å; F93-K120 HydrophobicContact CZ-CB 3.8Å; F93-K120 HydrophobicContact CZ-CD 3.41Å; F93-K120 VanDerWaalsContact CZ-CD 3.41Å; F93-K120 HydrophobicContact CZ-CG 3.56Å; F93-I121 HydrophobicContact CE1-CG1 3.82Å; F93-L124 HydrophobicContact CD1-CD1 3.54Å; F93-L124 HydrophobicContact CE1-CD1 3.71Å; F93-L124 HydrophobicContact CG-CD1 4.35Å; F93-I135 HydrophobicContact CD1-CD1 3.78Å; F93-I135 HydrophobicContact CE1-CD1 4.17Å
94	N	96.3	Very high	95.7	Very high	56 Å²	56	20.6 Å²	20.6	30%	0.299	13%	0.13	S	C	.	.	H	α-helix	trans	-70.3	-41.5	175.6	-75.4	-85.2	0	0	0	111.7	G90 L91 L92 S96 T97 S98 L274 C279	G90-N94 PolarHBondContact O-N 3.13Å; G90-N94 PolarHBondContact O-ND2 2.96Å; L91-N94 WeakPolarHBondContact O-CB 3.43Å; L91-N94 PolarHBondContact O-N 3.08Å; L92-N94 VanDerWaalsContact C-N 3.35Å; L92-N94 PolarHBondContact O-N 3.17Å; N94-S96 PolarHBondContact O-N 3.25Å; N94-T97 PolarHBondContact O-N 2.91Å; N94-T97 PolarHBondContact O-OG1 3.45Å; N94-S98 WeakPolarHBondContact O-CB 3.23Å; N94-S98 PolarHBondContact O-N 3.38Å; N94-S98 PolarHBondContact O-OG 3.33Å; N94-L274 HydrophobicContact CB-CD2 4.32Å; N94-C279 HydrophobicContact CB-CB 4.3Å
95	L	96.6	Very high	95.7	Very high	1 Å²	1	20.1 Å²	20.1	1%	0.005	13%	0.128	C	C	.	.	H	α-helix	trans	-59.1	-35.9	175.3	-71.4	177.7	0	0	0	111.6	F81 L91 L92 T97 S98 Y99 F159 L274	F81-L95 HydrophobicContact CD2-CD1 4.35Å; F81-L95 HydrophobicContact CD2-CD2 4.11Å; F81-L95 HydrophobicContact CE2-CD2 4.41Å; L91-L95 HydrophobicContact CD1-CD1 4.09Å; L91-L95 HydrophobicContact CD1-CD2 4.08Å; L91-L95 HydrophobicContact CD1-CG 3.77Å; L91-L95 HydrophobicContact CD2-CD1 4.1Å; L91-L95 HydrophobicContact CG-CD1 3.77Å; L91-L95 HydrophobicContact CG-CG 3.93Å; L91-L95 WeakPolarHBondContact O-CG 3.27Å; L91-L95 PolarHBondContact O-N 3.3Å; L92-L95 PolarHBondContact O-N 3.4Å; L95-T97 VanDerWaalsContact C-N 3.3Å; L95-T97 PolarHBondContact O-N 2.89Å; L95-S98 PolarHBondContact O-N 3.4Å; L95-Y99 HydrophobicContact CD2-CD2 3.74Å; L95-Y99 HydrophobicContact CD2-CE2 3.89Å; L95-Y99 WeakPolarHBondContact O-CA 3.34Å; L95-Y99 WeakPolarHBondContact O-CB 3.36Å; L95-Y99 PolarHBondContact O-N 3.43Å; L95-F159 HydrophobicContact CD1-CE2 3.96Å; L95-F159 HydrophobicContact CD1-CZ 4.25Å; L95-F159 HydrophobicContact CD2-CZ 4.26Å; L95-L274 HydrophobicContact CD2-CD1 4.07Å
96	S	95.2	Very high	95.8	Very high	4 Å²	4	18.1 Å²	18.1	3%	0.028	11%	0.106	C	C	.	.	H	α-helix	trans	-54.9	-47.4	177.6	-174.9	0	0	0	0	112.5	L92 F93 N94 P100 Y132 N134	L92-S96 PolarHBondContact O-N 2.92Å; F93-S96 WeakPolarHBondContact O-CB 3.29Å; F93-S96 PolarHBondContact O-N 3.45Å; N94-S96 PolarHBondContact O-N 3.25Å; S96-P100 WeakPolarHBondContact O-CA 3.35Å; S96-Y132 WeakPolarHBondContact OG-CA 3.24Å; S96-Y132 VanDerWaalsContact OG-CD1 3.26Å; S96-Y132 WeakPolarHBondContact OG-CD1 3.48Å; S96-Y132 PolarHBondContact OG-N 3.14Å; S96-N134 WeakPolarHBondContact CA-ND2 3.35Å; S96-N134 WeakPolarHBondContact CA-OD1 3.29Å; S96-N134 WeakPolarHBondContact CB-OD1 3.43Å; S96-N134 PolarHBondContact O-ND2 3.3Å; S96-N134 PolarHBondContact O-OD1 2.87Å; S96-N134 PolarHBondContact OG-OD1 3.41Å
97	T	93	Very high	95.8	Very high	69 Å²	69	17.6 Å²	17.6	42%	0.423	10%	0.103	S	C	.	.	H	α-helix	trans	-83.8	-33.8	-176.5	51.2	0	0	0	0	112.6	N94 L95 Y132	N94-T97 PolarHBondContact O-N 2.91Å; N94-T97 PolarHBondContact O-OG1 3.45Å; L95-T97 VanDerWaalsContact C-N 3.3Å; L95-T97 PolarHBondContact O-N 2.89Å; T97-Y132 HydrophobicContact CG2-CE1 4.25Å
98	S	93.4	Very high	95.8	Very high	27 Å²	27	17.5 Å²	17.5	19%	0.189	10%	0.1	C	C	.	.	H	α-helix	trans	-80.8	-24.3	-178.5	-60.2	0	0	0	0	113.5	N94 L95 P100	N94-S98 WeakPolarHBondContact O-CB 3.23Å; N94-S98 PolarHBondContact O-N 3.38Å; N94-S98 PolarHBondContact O-OG 3.33Å; L95-S98 PolarHBondContact O-N 3.4Å; S98-P100 VanDerWaalsContact C-CD 3.5Å
99	Y	93.8	Very high	95.8	Very high	13 Å²	13	17.2 Å²	17.2	5%	0.051	10%	0.101	C	C	.	.			trans	-131.4	61.6	179.7	-62.3	-92.1	0	0	0	111	T5 F81 L95 F101 T102 N134 V271 L274	T5-Y99 HydrophobicContact CG2-CD1 4.37Å; T5-Y99 HydrophobicContact CG2-CE1 3.61Å; F81-Y99 AromaticContact CE2-CD1 3.65Å; F81-Y99 HydrophobicContact CE2-CD1 3.65Å; F81-Y99 AromaticContact CE2-CD2 3.86Å; F81-Y99 HydrophobicContact CE2-CD2 3.86Å; F81-Y99 HydrophobicContact CE2-CE1 4.01Å; F81-Y99 HydrophobicContact CE2-CE2 4.22Å; F81-Y99 AromaticContact CE2-CG 3.57Å; F81-Y99 HydrophobicContact CE2-CG 3.57Å; F81-Y99 AromaticContact CZ-CD1 3.91Å; F81-Y99 HydrophobicContact CZ-CD1 3.91Å; F81-Y99 HydrophobicContact CZ-CE1 4.07Å; F81-Y99 HydrophobicContact CZ-CG 4.3Å; L95-Y99 HydrophobicContact CD2-CD2 3.74Å; L95-Y99 HydrophobicContact CD2-CE2 3.89Å; L95-Y99 WeakPolarHBondContact O-CA 3.34Å; L95-Y99 WeakPolarHBondContact O-CB 3.36Å; L95-Y99 PolarHBondContact O-N 3.43Å; Y99-F101 PolarHBondContact O-N 2.9Å; Y99-T102 PolarHBondContact O-N 2.99Å; Y99-N134 PolarHBondContact O-ND2 2.82Å; Y99-V271 HydrophobicContact CE2-CG2 4.32Å; Y99-V271 WeakPolarHBondContact OH-CG2 3.23Å; Y99-V271 PolarHBondContact OH-N 3.49Å; Y99-L274 HydrophobicContact CE2-CD1 4.08Å
100	P	91.9	Very high	95.7	Very high	53 Å²	53	18.3 Å²	18.3	34%	0.344	11%	0.105	S	C	.	.	T	Hydrogen-bonded Turn	trans	-59.8	-23.4	-170.9	23.6	-33.8	0	0	0	114	S96 S98 N134	S96-P100 WeakPolarHBondContact O-CA 3.35Å; S98-P100 VanDerWaalsContact C-CD 3.5Å; P100-N134 WeakPolarHBondContact CA-ND2 3.29Å
101	F	90.8	Very high	95.5	Very high	45 Å²	45	21.2 Å²	21.2	20%	0.197	12%	0.116	C	C	.	.	T	Hydrogen-bonded Turn	trans	-97	4.9	-179.4	-55.3	-71.2	0	0	0	114.4	V70 N73 D76 Y99	V70-F101 HydrophobicContact CB-CE1 3.99Å; V70-F101 HydrophobicContact CB-CZ 4.24Å; N73-F101 HydrophobicContact CB-CD1 4.25Å; N73-F101 HydrophobicContact CB-CE1 4.03Å; N73-F101 HydrophobicContact CB-CE2 4.33Å; N73-F101 HydrophobicContact CB-CG 4.49Å; N73-F101 HydrophobicContact CB-CZ 4.08Å; D76-F101 PolarHBondContact N-O 3.48Å; Y99-F101 PolarHBondContact O-N 2.9Å
102	T	93.9	Very high	95.4	Very high	30 Å²	30	26.1 Å²	26.1	18%	0.184	14%	0.138	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-120	125.4	-177.8	-52.9	0	0	0	0	110.6	R80 F81 Y99 S104 N134	R80-T102 HydrophobicContact CB-CG2 3.69Å; R80-T102 HydrophobicContact CG-CG2 4.17Å; F81-T102 HydrophobicContact CD1-CG2 4.06Å; F81-T102 HydrophobicContact CD2-CG2 4Å; F81-T102 HydrophobicContact CE1-CG2 3.93Å; F81-T102 HydrophobicContact CE2-CG2 3.91Å; F81-T102 HydrophobicContact CG-CG2 4.07Å; F81-T102 HydrophobicContact CZ-CG2 3.85Å; Y99-T102 PolarHBondContact O-N 2.99Å; T102-S104 PolarHBondContact O-N 3.5Å; T102-N134 PolarHBondContact O-ND2 3.13Å
103	R	96.4	Very high	95.4	Very high	1 Å²	1	26.1 Å²	26.1	0%	0.004	14%	0.138	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-72.2	126.4	174	-78.4	178.3	171.9	-178.5	-0.8	111.6	E57 F60 F75 P77 V79 R80 F81 N134	E57-R103 VanDerWaalsContact CD-NH2 3.31Å; E57-R103 IonicContact OE1-CZ 2.93Å; E57-R103 IonicContact OE1-NH1 3.15Å; E57-R103 PolarHBondContact OE1-NH1 3.45Å; E57-R103 IonicContact OE1-NH2 3.17Å; E57-R103 PolarHBondContact OE1-NH2 2.83Å; E57-R103 IonicContact OE2-CZ 2.72Å; E57-R103 IonicContact OE2-NH1 3.55Å; E57-R103 IonicContact OE2-NH2 3.87Å; E57-R103 PolarHBondContact OE2-NH2 2.92Å; F60-R103 HydrophobicContact CD1-CG 4.04Å; F60-R103 HydrophobicContact CD2-CG 4.37Å; F60-R103 HydrophobicContact CE1-CB 3.96Å; F60-R103 HydrophobicContact CE1-CG 3.83Å; F60-R103 HydrophobicContact CE2-CB 4.32Å; F60-R103 HydrophobicContact CE2-CG 4.2Å; F60-R103 HydrophobicContact CG-CG 4.3Å; F60-R103 HydrophobicContact CZ-CB 3.78Å; F60-R103 HydrophobicContact CZ-CG 3.92Å; F75-R103 HydrophobicContact CE1-CG 3.99Å; F75-R103 HydrophobicContact CZ-CG 3.69Å; P77-R103 WeakPolarHBondContact O-CD 3.48Å; P77-R103 PolarHBondContact O-NH1 2.73Å; V79-R103 HydrophobicContact CG2-CB 4.23Å; R80-R103 PolarHBondContact N-O 3.36Å; F81-R103 PolarHBondContact N-O 3.11Å; R103-N134 CarbonylContact C-O 3.54Å; R103-N134 VanDerWaalsContact CA-O 3.28Å; R103-N134 WeakPolarHBondContact CA-O 3.39Å
104	S	98	Very high	95.4	Very high	1 Å²	1	26.6 Å²	26.6	1%	0.007	14%	0.139	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-120	139.4	176	-49.6	0	0	0	0	111.3	F81 T102 N134 I135 A136	F81-S104 WeakPolarHBondContact CB-OG 3.2Å; F81-S104 WeakPolarHBondContact CD2-OG 3.3Å; F81-S104 CarbonylContact O-C 3.55Å; F81-S104 WeakPolarHBondContact O-CA 3.49Å; T102-S104 PolarHBondContact O-N 3.5Å; S104-N134 PolarHBondContact N-O 3.13Å; S104-I135 WeakPolarHBondContact O-CA 3.22Å; S104-A136 PolarHBondContact O-N 3.29Å
105	V	98.4	Very high	95.4	Very high	0 Å²	0	26.3 Å²	26.3	0%	0	14%	0.138	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-123.5	128.6	178.1	174	0	0	0	0	110.2	W56 F60 V79 F81 L82 D83 L107 A136 I138	W56-V105 HydrophobicContact CE3-CG2 4.46Å; W56-V105 HydrophobicContact CH2-CG2 4.41Å; W56-V105 HydrophobicContact CZ3-CG2 3.73Å; F60-V105 HydrophobicContact CE2-CG2 4.31Å; F60-V105 HydrophobicContact CZ-CG2 3.67Å; V79-V105 HydrophobicContact CB-CG2 4.25Å; V79-V105 HydrophobicContact CG1-CB 4.02Å; V79-V105 HydrophobicContact CG1-CG2 3.53Å; V79-V105 HydrophobicContact CG2-CG2 3.66Å; F81-V105 PolarHBondContact O-N 3.32Å; L82-V105 CarbonylContact C-O 3.35Å; L82-V105 WeakPolarHBondContact CA-O 3.28Å; L82-V105 HydrophobicContact CD1-CB 4.18Å; L82-V105 HydrophobicContact CD1-CG1 4.27Å; D83-V105 PolarHBondContact N-O 3.31Å; V105-L107 HydrophobicContact CG1-CD2 3.78Å; V105-A136 CarbonylContact C-O 3.55Å; V105-A136 WeakPolarHBondContact CA-O 3.14Å; V105-A136 HydrophobicContact CG2-CB 4.38Å; V105-I138 HydrophobicContact CG1-CD1 3.85Å; V105-I138 HydrophobicContact CG1-CG1 3.94Å
106	G	98.4	Very high	95.4	Very high	0 Å²	0	26.5 Å²	26.5	0%	0	14%	0.139	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-88	136.4	164.5	0	0	0	0	0	111.5	D83 A136 C137 I138	D83-G106 CarbonylContact O-C 2.83Å; D83-G106 WeakPolarHBondContact O-CA 3.42Å; G106-A136 PolarHBondContact N-O 3.07Å; G106-C137 CarbonylContact O-C 3.44Å; G106-C137 VanDerWaalsContact O-CA 3.3Å; G106-C137 WeakPolarHBondContact O-CA 3.33Å; G106-I138 PolarHBondContact O-N 3.08Å
107	L	98.1	Very high	95.6	Very high	2 Å²	2	26.3 Å²	26.3	1%	0.01	14%	0.137	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-107.3	127.2	170.6	-53.6	-174	0	0	0	109.6	L82 D83 G85 C86 V105 I138 T140 A142 L146	L82-L107 HydrophobicContact CD1-CD1 3.83Å; L82-L107 HydrophobicContact CD1-CD2 3.92Å; L82-L107 HydrophobicContact CD1-CG 3.65Å; L82-L107 HydrophobicContact CD2-CD1 4.11Å; L82-L107 HydrophobicContact CG-CD1 4.21Å; L82-L107 HydrophobicContact CG-CG 4.35Å; D83-L107 PolarHBondContact O-N 2.86Å; G85-L107 CarbonylContact C-O 3.59Å; G85-L107 WeakPolarHBondContact CA-O 3.04Å; G85-L107 PolarHBondContact N-O 2.87Å; C86-L107 PolarHBondContact N-O 2.96Å; V105-L107 HydrophobicContact CG1-CD2 3.78Å; L107-I138 HydrophobicContact CD2-CB 4.03Å; L107-T140 HydrophobicContact CB-CG2 3.99Å; L107-T140 HydrophobicContact CD1-CG2 4.08Å; L107-T140 HydrophobicContact CD2-CG2 3.72Å; L107-T140 HydrophobicContact CG-CG2 4.14Å; L107-A142 HydrophobicContact CD1-CB 3.9Å; L107-L146 HydrophobicContact CD1-CD2 3.44Å; L107-L146 VanDerWaalsContact CD1-CD2 3.44Å
108	E	96.8	Very high	95.7	Very high	6 Å²	6	25.5 Å²	25.5	3%	0.028	13%	0.129	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-140	133.3	176.9	176.3	55.7	-107.9	0	0	110.9	G87 R110 V113 F114 I138 R139 T140	G87-E108 WeakPolarHBondContact CA-OE2 3.18Å; G87-E108 PolarHBondContact N-OE2 2.88Å; E108-R110 HydrophobicContact CG-CB 4.31Å; E108-R110 VanDerWaalsContact OE1-CB 3.22Å; E108-R110 WeakPolarHBondContact OE1-CB 3.42Å; E108-R110 VanDerWaalsContact OE1-CG 3.29Å; E108-R110 WeakPolarHBondContact OE1-CG 3.44Å; E108-R110 IonicContact OE1-CZ 2.67Å; E108-R110 PolarHBondContact OE1-N 3.38Å; E108-R110 IonicContact OE1-NE 2.7Å; E108-R110 PolarHBondContact OE1-NE 3.25Å; E108-R110 IonicContact OE1-NH2 3.07Å; E108-R110 IonicContact OE2-CZ 3.46Å; E108-R110 IonicContact OE2-NE 3.68Å; E108-R110 PolarHBondContact OE2-NE 3.03Å; E108-R110 IonicContact OE2-NH2 2.92Å; E108-R110 PolarHBondContact OE2-NH2 3.03Å; E108-V113 HydrophobicContact CG-CB 3.97Å; E108-V113 HydrophobicContact CG-CG1 3.97Å; E108-F114 HydrophobicContact CB-CB 4.44Å; E108-F114 HydrophobicContact CG-CB 4.31Å; E108-I138 PolarHBondContact N-O 3.48Å; E108-R139 WeakPolarHBondContact O-CA 3.27Å; E108-T140 CarbonylContact C-O 3.5Å; E108-T140 PolarHBondContact O-N 2.89Å; E108-T140 VanDerWaalsContact O-N 3.13Å
109	I	95.7	Very high	95.9	Very high	22 Å²	22	28.1 Å²	28.1	11%	0.113	14%	0.138	C	C	.	.			trans	-88.2	-28.8	-178.3	-168.8	170.7	0	0	0	111.9	C37 L111 T140 N141	C37-I109 WeakPolarHBondContact SG-CG2 3.2Å; I109-L111 PolarHBondContact O-N 2.84Å; I109-T140 WeakPolarHBondContact CA-O 3.48Å; I109-T140 WeakPolarHBondContact CB-O 3.41Å; I109-T140 PolarHBondContact N-O 3.14Å; I109-N141 HydrophobicContact CD1-CB 3.81Å; I109-N141 HydrophobicContact CG1-CB 4.44Å
110	R	94.4	Very high	96	Very high	23 Å²	23	29.7 Å²	29.7	9%	0.087	15%	0.145	C	C	.	.			trans	-78.9	113.3	-176.1	-64	172.2	-65.6	173.8	-0.8	111	R34 A35 E108 K112 V113 F114	R34-R110 WeakPolarHBondContact O-CD 3.24Å; A35-R110 PolarHBondContact O-NH1 2.9Å; E108-R110 HydrophobicContact CG-CB 4.31Å; E108-R110 VanDerWaalsContact OE1-CB 3.22Å; E108-R110 WeakPolarHBondContact OE1-CB 3.42Å; E108-R110 VanDerWaalsContact OE1-CG 3.29Å; E108-R110 WeakPolarHBondContact OE1-CG 3.44Å; E108-R110 IonicContact OE1-CZ 2.67Å; E108-R110 PolarHBondContact OE1-N 3.38Å; E108-R110 IonicContact OE1-NE 2.7Å; E108-R110 PolarHBondContact OE1-NE 3.25Å; E108-R110 IonicContact OE1-NH2 3.07Å; E108-R110 IonicContact OE2-CZ 3.46Å; E108-R110 IonicContact OE2-NE 3.68Å; E108-R110 PolarHBondContact OE2-NE 3.03Å; E108-R110 IonicContact OE2-NH2 2.92Å; E108-R110 PolarHBondContact OE2-NH2 3.03Å; R110-K112 PolarHBondContact O-N 3.46Å; R110-V113 HydrophobicContact CB-CB 4.04Å; R110-V113 HydrophobicContact CB-CG2 3.91Å; R110-V113 PolarHBondContact O-N 2.87Å; R110-V113 VanDerWaalsContact O-N 3.13Å; R110-F114 WeakPolarHBondContact O-CB 3.4Å; R110-F114 PolarHBondContact O-N 2.87Å
111	L	93.5	Very high	96.3	Very high	75 Å²	75	27.4 Å²	27.4	39%	0.393	13%	0.13	S	C	.	.	H	α-helix	trans	-50.3	-53.3	-176	179.4	58.2	0	0	0	113.7	I109 V113 F114 D115	I109-L111 PolarHBondContact O-N 2.84Å; L111-V113 VanDerWaalsContact C-N 3.29Å; L111-V113 PolarHBondContact O-N 2.87Å; L111-F114 HydrophobicContact CD1-CD1 4.31Å; L111-F114 WeakPolarHBondContact O-CB 3.36Å; L111-F114 PolarHBondContact O-N 2.85Å; L111-D115 PolarHBondContact O-N 3.03Å
112	K	95.2	Very high	96.4	Very high	104 Å²	104	31.3 Å²	31.3	45%	0.452	15%	0.147	S	C	.	.	H	α-helix	trans	-65.4	-35.2	-176.6	-64.9	-169.1	174.2	-170.1	0	112.4	Y31 Q33 R110 D115 F116	Y31-K112 WeakPolarHBondContact CB-O 3.47Å; Y31-K112 VanDerWaalsContact CD1-O 3.24Å; Y31-K112 WeakPolarHBondContact CD1-O 3.43Å; Y31-K112 WeakPolarHBondContact O-CB 3.28Å; Q33-K112 HydrophobicContact CB-CB 4.35Å; R110-K112 PolarHBondContact O-N 3.46Å; K112-D115 PolarHBondContact O-N 2.69Å; K112-F116 PolarHBondContact O-N 2.88Å; K112-F116 VanDerWaalsContact O-N 3.08Å
113	V	96.4	Very high	96.5	Very high	0 Å²	0	30.3 Å²	30.3	0%	0	14%	0.142	C	C	.	.	H	α-helix	trans	-70.4	-43.2	179.2	-177.4	0	0	0	0	109.8	Q33 G87 Y88 E108 R110 L111 F116 V117	Q33-V113 HydrophobicContact CB-CG2 4.29Å; G87-V113 WeakPolarHBondContact O-CG1 3.21Å; Y88-V113 HydrophobicContact CD1-CG1 4.06Å; Y88-V113 HydrophobicContact CD2-CG1 4.49Å; Y88-V113 HydrophobicContact CE1-CG1 4.21Å; Y88-V113 HydrophobicContact CE1-CG2 4.23Å; Y88-V113 HydrophobicContact CG-CG1 4.22Å; E108-V113 HydrophobicContact CG-CB 3.97Å; E108-V113 HydrophobicContact CG-CG1 3.97Å; R110-V113 HydrophobicContact CB-CB 4.04Å; R110-V113 HydrophobicContact CB-CG2 3.91Å; R110-V113 PolarHBondContact O-N 2.87Å; R110-V113 VanDerWaalsContact O-N 3.13Å; L111-V113 VanDerWaalsContact C-N 3.29Å; L111-V113 PolarHBondContact O-N 2.87Å; V113-F116 WeakPolarHBondContact O-CB 3.33Å; V113-F116 PolarHBondContact O-N 3.24Å; V113-V117 WeakPolarHBondContact O-CG2 3.26Å; V113-V117 PolarHBondContact O-N 2.81Å; V113-V117 VanDerWaalsContact O-N 3.08Å
114	F	96.6	Very high	96.5	Very high	26 Å²	26	30.8 Å²	30.8	11%	0.114	15%	0.145	C	C	.	.	H	α-helix	trans	-57.2	-47.6	171	161.9	-103.5	0	0	0	112.5	E108 R110 L111 F116 V117 Q118 C137 R139	E108-F114 HydrophobicContact CB-CB 4.44Å; E108-F114 HydrophobicContact CG-CB 4.31Å; R110-F114 WeakPolarHBondContact O-CB 3.4Å; R110-F114 PolarHBondContact O-N 2.87Å; L111-F114 HydrophobicContact CD1-CD1 4.31Å; L111-F114 WeakPolarHBondContact O-CB 3.36Å; L111-F114 PolarHBondContact O-N 2.85Å; F114-F116 VanDerWaalsContact C-N 3.3Å; F114-F116 PolarHBondContact O-N 3Å; F114-V117 PolarHBondContact O-N 2.96Å; F114-V117 VanDerWaalsContact O-N 3.13Å; F114-Q118 HydrophobicContact CD2-CG 4Å; F114-Q118 HydrophobicContact CE1-CG 4.4Å; F114-Q118 HydrophobicContact CE2-CG 3.59Å; F114-Q118 HydrophobicContact CZ-CG 3.86Å; F114-Q118 PolarHBondContact O-N 3.46Å; F114-C137 HydrophobicContact CD2-CB 4.48Å; F114-R139 HydrophobicContact CB-CB 4.34Å; F114-R139 HydrophobicContact CB-CG 4.33Å; F114-R139 HydrophobicContact CD1-CB 3.72Å; F114-R139 HydrophobicContact CD1-CG 4.13Å; F114-R139 HydrophobicContact CD2-CB 3.68Å; F114-R139 HydrophobicContact CE1-CB 3.71Å; F114-R139 HydrophobicContact CE1-CG 4.49Å; F114-R139 HydrophobicContact CE2-CB 3.72Å; F114-R139 HydrophobicContact CG-CB 3.65Å; F114-R139 HydrophobicContact CG-CG 4.1Å; F114-R139 HydrophobicContact CZ-CB 3.69Å
115	D	96.8	Very high	96.3	Very high	50 Å²	50	32.6 Å²	32.6	27%	0.267	15%	0.151	S	C	.	.	H	α-helix	trans	-57.9	-44.3	178.5	-66.1	-24.8	0	0	0	111.1	Y31 L111 K112 V117 Q118 E119	Y31-D115 HydrophobicContact CD1-CB 4.06Å; Y31-D115 HydrophobicContact CE1-CB 3.95Å; L111-D115 PolarHBondContact O-N 3.03Å; K112-D115 PolarHBondContact O-N 2.69Å; D115-V117 PolarHBondContact O-N 3.42Å; D115-Q118 PolarHBondContact O-N 2.95Å; D115-E119 WeakPolarHBondContact O-CB 3.32Å; D115-E119 WeakPolarHBondContact O-CG 3.41Å; D115-E119 PolarHBondContact O-N 3.45Å
116	F	97.7	Very high	96	Very high	5 Å²	5	36.3 Å²	36.3	2%	0.022	17%	0.174	C	C	.	.	H	α-helix	trans	-56.7	-49.6	174.2	173.3	-92	0	0	0	112.4	P26 K28 Y31 Y88 K112 V113 F114 E119 K120	P26-F116 HydrophobicContact CB-CD2 3.94Å; P26-F116 HydrophobicContact CB-CE2 4.06Å; P26-F116 HydrophobicContact CG-CD2 3.98Å; P26-F116 HydrophobicContact CG-CE2 3.88Å; P26-F116 WeakPolarHBondContact O-CE2 3.42Å; K28-F116 HydrophobicContact CB-CE2 4.17Å; K28-F116 HydrophobicContact CD-CE1 4.42Å; K28-F116 HydrophobicContact CD-CE2 4.49Å; K28-F116 HydrophobicContact CD-CZ 4.03Å; K28-F116 HydrophobicContact CG-CD2 4.02Å; K28-F116 HydrophobicContact CG-CE1 3.97Å; K28-F116 HydrophobicContact CG-CE2 3.32Å; K28-F116 HydrophobicContact CG-CZ 3.28Å; Y31-F116 HydrophobicContact CD1-CB 3.82Å; Y31-F116 HydrophobicContact CD2-CB 4.09Å; Y31-F116 AromaticContact CD2-CD2 3.73Å; Y31-F116 HydrophobicContact CD2-CD2 3.73Å; Y31-F116 HydrophobicContact CD2-CG 4.41Å; Y31-F116 HydrophobicContact CE1-CB 4.5Å; Y31-F116 HydrophobicContact CE2-CD2 4.33Å; Y31-F116 HydrophobicContact CG-CB 3.6Å; Y31-F116 HydrophobicContact CG-CD2 4.1Å; Y31-F116 HydrophobicContact CG-CG 4.34Å; Y88-F116 HydrophobicContact CD1-CB 4.29Å; Y88-F116 AromaticContact CD1-CD1 3.53Å; Y88-F116 HydrophobicContact CD1-CD1 3.53Å; Y88-F116 AromaticContact CD1-CE1 3.94Å; Y88-F116 HydrophobicContact CD1-CE1 3.94Å; Y88-F116 AromaticContact CD1-CG 3.87Å; Y88-F116 HydrophobicContact CD1-CG 3.87Å; Y88-F116 HydrophobicContact CE1-CD1 4.48Å; Y88-F116 HydrophobicContact CE1-CG 4.41Å; Y88-F116 HydrophobicContact CG-CD1 4.31Å; Y88-F116 HydrophobicContact CG-CE1 4.43Å; K112-F116 PolarHBondContact O-N 2.88Å; K112-F116 VanDerWaalsContact O-N 3.08Å; V113-F116 WeakPolarHBondContact O-CB 3.33Å; V113-F116 PolarHBondContact O-N 3.24Å; F114-F116 VanDerWaalsContact C-N 3.3Å; F114-F116 PolarHBondContact O-N 3Å; F116-E119 PolarHBondContact O-N 3.46Å; F116-K120 HydrophobicContact CE1-CB 4.48Å; F116-K120 HydrophobicContact CE1-CD 3.79Å; F116-K120 HydrophobicContact CZ-CD 3.71Å; F116-K120 VanDerWaalsContact O-CB 3.27Å; F116-K120 WeakPolarHBondContact O-CB 3.5Å; F116-K120 PolarHBondContact O-N 3.37Å
117	V	97.7	Very high	95.8	Very high	0 Å²	0	40.2 Å²	40.2	0%	0	19%	0.191	C	C	.	.	H	α-helix	trans	-63.6	-46.4	-176.7	176.8	0	0	0	0	110.1	G87 Y88 L92 F93 V113 F114 D115 K120 I121 C137	G87-V117 VanDerWaalsContact O-CG2 3.27Å; G87-V117 WeakPolarHBondContact O-CG2 3.25Å; Y88-V117 VanDerWaalsContact C-CG2 3.46Å; L92-V117 HydrophobicContact CD2-CG1 4.16Å; F93-V117 HydrophobicContact CZ-CG1 4.34Å; V113-V117 WeakPolarHBondContact O-CG2 3.26Å; V113-V117 PolarHBondContact O-N 2.81Å; V113-V117 VanDerWaalsContact O-N 3.08Å; F114-V117 PolarHBondContact O-N 2.96Å; F114-V117 VanDerWaalsContact O-N 3.13Å; D115-V117 PolarHBondContact O-N 3.42Å; V117-K120 PolarHBondContact O-N 3.2Å; V117-I121 HydrophobicContact CG1-CD1 3.88Å; V117-I121 HydrophobicContact CG1-CG1 4.36Å; V117-I121 VanDerWaalsContact O-CG1 3.28Å; V117-I121 WeakPolarHBondContact O-CG1 3.4Å; V117-I121 PolarHBondContact O-N 3.15Å; V117-C137 HydrophobicContact CB-CB 4.24Å; V117-C137 HydrophobicContact CG1-CB 3.57Å
118	Q	96.3	Very high	95.4	Very high	52 Å²	52	43.7 Å²	43.7	24%	0.243	21%	0.207	C	C	.	.	H	α-helix	trans	-60.7	-46.9	178	-74.2	-164.2	103.9	0	0	112.7	F114 D115 K120 I121 K122 C137	F114-Q118 HydrophobicContact CD2-CG 4Å; F114-Q118 HydrophobicContact CE1-CG 4.4Å; F114-Q118 HydrophobicContact CE2-CG 3.59Å; F114-Q118 HydrophobicContact CZ-CG 3.86Å; F114-Q118 PolarHBondContact O-N 3.46Å; D115-Q118 PolarHBondContact O-N 2.95Å; Q118-K120 VanDerWaalsContact C-N 3.28Å; Q118-K120 PolarHBondContact O-N 2.77Å; Q118-I121 PolarHBondContact O-N 3.08Å; Q118-K122 WeakPolarHBondContact O-CG 3.45Å; Q118-K122 PolarHBondContact O-N 3.26Å; Q118-C137 HydrophobicContact CG-CB 4.49Å
119	E	96.5	Very high	95	Very high	82 Å²	82	48.9 Å²	48.9	38%	0.383	24%	0.244	S	C	.	.	H	α-helix	trans	-62.8	-37.9	177.4	-75.6	-175.6	-151.6	0	0	111.8	P26 Y31 D115 F116 K122 A123	P26-E119 HydrophobicContact CB-CB 4.19Å; P26-E119 HydrophobicContact CG-CB 3.99Å; Y31-E119 PolarHBondContact OH-OE1 2.91Å; Y31-E119 PolarHBondContact OH-OE2 3.29Å; D115-E119 WeakPolarHBondContact O-CB 3.32Å; D115-E119 WeakPolarHBondContact O-CG 3.41Å; D115-E119 PolarHBondContact O-N 3.45Å; F116-E119 PolarHBondContact O-N 3.46Å; E119-K122 PolarHBondContact O-N 3.44Å; E119-A123 WeakPolarHBondContact O-CB 3.28Å; E119-A123 PolarHBondContact O-N 3.19Å
120	K	97.3	Very high	94.5	Very high	47 Å²	47	50.5 Å²	50.5	20%	0.204	27%	0.266	C	S	.	.	H	α-helix	trans	-68.2	-41.9	178.1	-172.7	168.1	167	-163.9	0	111.3	P26 F93 F116 V117 Q118 A123 L124	P26-K120 HydrophobicContact CG-CB 3.6Å; P26-K120 HydrophobicContact CG-CG 4.35Å; F93-K120 HydrophobicContact CD2-CD 4.34Å; F93-K120 HydrophobicContact CE1-CB 4.28Å; F93-K120 HydrophobicContact CE1-CD 4.14Å; F93-K120 HydrophobicContact CE1-CG 3.91Å; F93-K120 HydrophobicContact CE2-CD 3.51Å; F93-K120 HydrophobicContact CE2-CG 4.18Å; F93-K120 VanDerWaalsContact CE2-NZ 3.3Å; F93-K120 HydrophobicContact CZ-CB 3.8Å; F93-K120 HydrophobicContact CZ-CD 3.41Å; F93-K120 VanDerWaalsContact CZ-CD 3.41Å; F93-K120 HydrophobicContact CZ-CG 3.56Å; F116-K120 HydrophobicContact CE1-CB 4.48Å; F116-K120 HydrophobicContact CE1-CD 3.79Å; F116-K120 HydrophobicContact CZ-CD 3.71Å; F116-K120 VanDerWaalsContact O-CB 3.27Å; F116-K120 WeakPolarHBondContact O-CB 3.5Å; F116-K120 PolarHBondContact O-N 3.37Å; V117-K120 PolarHBondContact O-N 3.2Å; Q118-K120 VanDerWaalsContact C-N 3.28Å; Q118-K120 PolarHBondContact O-N 2.77Å; K120-A123 PolarHBondContact O-N 2.99Å; K120-L124 HydrophobicContact CG-CD1 3.95Å; K120-L124 HydrophobicContact CG-CG 4.35Å; K120-L124 WeakPolarHBondContact O-CB 3.41Å; K120-L124 VanDerWaalsContact O-CG 3.23Å; K120-L124 WeakPolarHBondContact O-CG 3.43Å; K120-L124 PolarHBondContact O-N 3.02Å
121	I	96.7	Very high	94.3	Very high	5 Å²	5	53.9 Å²	53.9	3%	0.026	28%	0.282	C	S	.	.	H	α-helix	trans	-57.4	-50.7	172.9	-69.7	170.4	0	0	0	109.9	L92 F93 V117 Q118 A123 L124 R125 I135 C137	L92-I121 HydrophobicContact CD2-CD1 3.91Å; F93-I121 HydrophobicContact CE1-CG1 3.82Å; V117-I121 HydrophobicContact CG1-CD1 3.88Å; V117-I121 HydrophobicContact CG1-CG1 4.36Å; V117-I121 VanDerWaalsContact O-CG1 3.28Å; V117-I121 WeakPolarHBondContact O-CG1 3.4Å; V117-I121 PolarHBondContact O-N 3.15Å; Q118-I121 PolarHBondContact O-N 3.08Å; I121-A123 PolarHBondContact O-N 3.47Å; I121-L124 PolarHBondContact O-N 2.77Å; I121-R125 HydrophobicContact CG2-CG 4.45Å; I121-R125 VanDerWaalsContact CG2-CZ 3.43Å; I121-R125 WeakPolarHBondContact O-CG 3.43Å; I121-R125 PolarHBondContact O-N 2.97Å; I121-I135 HydrophobicContact CD1-CD1 4.27Å; I121-I135 HydrophobicContact CD1-CG1 4.45Å; I121-I135 HydrophobicContact CG1-CD1 3.85Å; I121-I135 HydrophobicContact CG1-CG1 4.32Å; I121-I135 HydrophobicContact CG2-CG1 4.49Å; I121-C137 HydrophobicContact CD1-CB 4.18Å
122	K	94.7	Very high	94.3	Very high	126 Å²	126	51.7 Å²	51.7	55%	0.548	27%	0.269	S	S	.	.	H	α-helix	trans	-57.2	-50.3	178.4	-71.8	175	-176.9	178.4	0	111.5	Q118 E119 L124 R125 V126	Q118-K122 WeakPolarHBondContact O-CG 3.45Å; Q118-K122 PolarHBondContact O-N 3.26Å; E119-K122 PolarHBondContact O-N 3.44Å; K122-L124 VanDerWaalsContact C-N 3.31Å; K122-L124 PolarHBondContact O-N 2.87Å; K122-R125 PolarHBondContact O-N 2.96Å; K122-V126 WeakPolarHBondContact O-CG2 3.39Å; K122-V126 PolarHBondContact O-N 2.89Å
123	A	95.7	Very high	94.2	Very high	9 Å²	9	47.9 Å²	47.9	7%	0.074	25%	0.254	C	S	.	.	H	α-helix	trans	-63.5	-35.8	-179.8	0	0	0	0	0	112.7	I23 L25 E119 K120 I121 K127	I23-A123 HydrophobicContact CG2-CB 3.88Å; L25-A123 HydrophobicContact CD2-CB 3.78Å; E119-A123 WeakPolarHBondContact O-CB 3.28Å; E119-A123 PolarHBondContact O-N 3.19Å; K120-A123 PolarHBondContact O-N 2.99Å; I121-A123 PolarHBondContact O-N 3.47Å; A123-K127 WeakPolarHBondContact O-CB 3.4Å; A123-K127 VanDerWaalsContact O-CG 3.29Å; A123-K127 WeakPolarHBondContact O-CG 3.47Å; A123-K127 PolarHBondContact O-N 3.46Å; A123-K127 VanDerWaalsContact O-N 3.11Å
124	L	95.2	Very high	94.2	Very high	12 Å²	12	48.2 Å²	48.2	6%	0.063	26%	0.256	C	S	.	.	H	α-helix	trans	-69.2	-39.9	176	-75.2	170.3	0	0	0	112.6	L25 F93 K120 I121 K122 V126 K127 H128 Y132	L25-L124 HydrophobicContact CD2-CD2 4Å; L25-L124 HydrophobicContact CD2-CG 4.06Å; F93-L124 HydrophobicContact CD1-CD1 3.54Å; F93-L124 HydrophobicContact CE1-CD1 3.71Å; F93-L124 HydrophobicContact CG-CD1 4.35Å; K120-L124 HydrophobicContact CG-CD1 3.95Å; K120-L124 HydrophobicContact CG-CG 4.35Å; K120-L124 WeakPolarHBondContact O-CB 3.41Å; K120-L124 VanDerWaalsContact O-CG 3.23Å; K120-L124 WeakPolarHBondContact O-CG 3.43Å; K120-L124 PolarHBondContact O-N 3.02Å; I121-L124 PolarHBondContact O-N 2.77Å; K122-L124 VanDerWaalsContact C-N 3.31Å; K122-L124 PolarHBondContact O-N 2.87Å; L124-V126 VanDerWaalsContact C-N 3.31Å; L124-V126 PolarHBondContact O-N 3.27Å; L124-K127 PolarHBondContact O-N 3.1Å; L124-H128 WeakPolarHBondContact O-CB 3.33Å; L124-H128 PolarHBondContact O-CD2 3.12Å; L124-H128 PolarHBondContact O-N 2.93Å; L124-Y132 HydrophobicContact CB-CD1 4.27Å; L124-Y132 HydrophobicContact CB-CD2 3.69Å; L124-Y132 HydrophobicContact CB-CE2 4.03Å; L124-Y132 HydrophobicContact CB-CG 3.82Å; L124-Y132 HydrophobicContact CD1-CD1 4.01Å; L124-Y132 HydrophobicContact CD1-CE1 3.87Å; L124-Y132 HydrophobicContact CD1-CG 4.41Å; L124-Y132 HydrophobicContact CD2-CE2 4.22Å
125	R	94	Very high	94.2	Very high	38 Å²	38	47 Å²	47	14%	0.143	25%	0.25	C	S	.	.	H	α-helix	trans	-61	-38.3	176.1	-72.7	175.2	-175.7	168.2	-2.3	112.6	L59 I121 K122 H128 Y132 N133 I135	L59-R125 PolarHBondContact O-NH1 3.08Å; L59-R125 VanDerWaalsContact O-NH1 3.14Å; L59-R125 PolarHBondContact O-NH2 3.29Å; I121-R125 HydrophobicContact CG2-CG 4.45Å; I121-R125 VanDerWaalsContact CG2-CZ 3.43Å; I121-R125 WeakPolarHBondContact O-CG 3.43Å; I121-R125 PolarHBondContact O-N 2.97Å; K122-R125 PolarHBondContact O-N 2.96Å; R125-H128 CarbonylContact O-C 3.1Å; R125-Y132 PolarHBondContact NE-O 3.49Å; R125-N133 WeakPolarHBondContact CD-OD1 3.46Å; R125-I135 PolarHBondContact NH2-O 3.02Å
126	V	92.9	Very high	94.2	Very high	79 Å²	79	44.7 Å²	44.7	48%	0.479	24%	0.238	S	C	.	.	H	α-helix	trans	-72.3	-47	176.9	-164.5	0	0	0	0	110.6	D20 I23 K122 L124 H128	D20-V126 WeakPolarHBondContact OD1-CG1 3.43Å; D20-V126 WeakPolarHBondContact OD2-CG1 3.36Å; D20-V126 VanDerWaalsContact OD2-O 3.06Å; I23-V126 HydrophobicContact CD1-CB 3.57Å; I23-V126 HydrophobicContact CD1-CG1 3.33Å; I23-V126 HydrophobicContact CD1-CG2 4.08Å; K122-V126 WeakPolarHBondContact O-CG2 3.39Å; K122-V126 PolarHBondContact O-N 2.89Å; L124-V126 VanDerWaalsContact C-N 3.31Å; L124-V126 PolarHBondContact O-N 3.27Å; V126-H128 VanDerWaalsContact C-N 3.28Å; V126-H128 PolarHBondContact O-N 2.94Å
127	K	93.6	Very high	94.2	Very high	82 Å²	82	44.7 Å²	44.7	36%	0.357	24%	0.239	S	C	.	.	H	α-helix	trans	-62.3	-31.7	179.3	-76.5	-173.6	178.9	-141.1	0	114.7	D20 I23 L25 A123 L124	D20-K127 VanDerWaalsContact OD2-CA 3.23Å; D20-K127 WeakPolarHBondContact OD2-CA 3.5Å; D20-K127 PolarHBondContact OD2-N 3.15Å; I23-K127 WeakPolarHBondContact O-CE 3.47Å; I23-K127 PolarHBondContact O-NZ 3.2Å; L25-K127 HydrophobicContact CD2-CD 4.23Å; L25-K127 HydrophobicContact CG-CD 4.46Å; A123-K127 WeakPolarHBondContact O-CB 3.4Å; A123-K127 VanDerWaalsContact O-CG 3.29Å; A123-K127 WeakPolarHBondContact O-CG 3.47Å; A123-K127 PolarHBondContact O-N 3.46Å; A123-K127 VanDerWaalsContact O-N 3.11Å; L124-K127 PolarHBondContact O-N 3.1Å
128	H	90.8	Very high	94.2	Very high	74 Å²	74	45.4 Å²	45.4	34%	0.343	24%	0.242	S	C	.	.	S	Bend	trans	-126.7	75	-176.2	-56.3	-74.2	0	0	0	108.3	L124 R125 V126 G130 Q131 Y132	L124-H128 WeakPolarHBondContact O-CB 3.33Å; L124-H128 PolarHBondContact O-CD2 3.12Å; L124-H128 PolarHBondContact O-N 2.93Å; R125-H128 CarbonylContact O-C 3.1Å; V126-H128 VanDerWaalsContact C-N 3.28Å; V126-H128 PolarHBondContact O-N 2.94Å; H128-G130 PolarHBondContact O-N 3.25Å; H128-Q131 HydrophobicContact CB-CB 3.88Å; H128-Q131 HydrophobicContact CB-CG 4.22Å; H128-Q131 WeakPolarHBondContact O-CB 3.14Å; H128-Q131 PolarHBondContact O-N 2.95Å; H128-Y132 HydrophobicContact CB-CD2 4.16Å; H128-Y132 HydrophobicContact CB-CE2 3.97Å; H128-Y132 AromaticContact CD2-CE2 3.67Å; H128-Y132 AromaticContact CG-CE2 3.98Å
129	S	86.7	Confident	94.2	Very high	116 Å²	116	45.9 Å²	45.9	81%	0.811	24%	0.242	S	C	*	.	T	Hydrogen-bonded Turn	trans	-49.1	129.3	-179.8	-171.6	0	0	0	0	111.3	Q131	S129-Q131 VanDerWaalsContact C-N 3.31Å; S129-Q131 PolarHBondContact O-N 2.97Å
130	G	85.5	Confident	94.2	Very high	55 Å²	55	42.1 Å²	42.1	57%	0.567	22%	0.224	S	C	*	.	T	Hydrogen-bonded Turn	trans	83.8	-12.1	-175.9	0	0	0	0	0	115.7	H128	H128-G130 PolarHBondContact O-N 3.25Å
131	Q	90.7	Very high	94.1	Very high	94 Å²	94	40.1 Å²	40.1	44%	0.439	22%	0.216	S	C	.	.	S	Bend	trans	-101.4	163.4	178.1	-56.9	-176	34.1	0	0	111.9	H128 S129 N133	H128-Q131 HydrophobicContact CB-CB 3.88Å; H128-Q131 HydrophobicContact CB-CG 4.22Å; H128-Q131 WeakPolarHBondContact O-CB 3.14Å; H128-Q131 PolarHBondContact O-N 2.95Å; S129-Q131 VanDerWaalsContact C-N 3.31Å; S129-Q131 PolarHBondContact O-N 2.97Å; Q131-N133 PolarHBondContact O-N 2.92Å
132	Y	94.2	Very high	94	Very high	30 Å²	30	40.3 Å²	40.3	12%	0.118	22%	0.218	C	C	.	.	S	Bend	trans	63.1	9.6	179.2	-50.9	-85.4	0	0	0	115.8	S96 T97 L124 R125 H128 N134 I135	S96-Y132 WeakPolarHBondContact OG-CA 3.24Å; S96-Y132 VanDerWaalsContact OG-CD1 3.26Å; S96-Y132 WeakPolarHBondContact OG-CD1 3.48Å; S96-Y132 PolarHBondContact OG-N 3.14Å; T97-Y132 HydrophobicContact CG2-CE1 4.25Å; L124-Y132 HydrophobicContact CB-CD1 4.27Å; L124-Y132 HydrophobicContact CB-CD2 3.69Å; L124-Y132 HydrophobicContact CB-CE2 4.03Å; L124-Y132 HydrophobicContact CB-CG 3.82Å; L124-Y132 HydrophobicContact CD1-CD1 4.01Å; L124-Y132 HydrophobicContact CD1-CE1 3.87Å; L124-Y132 HydrophobicContact CD1-CG 4.41Å; L124-Y132 HydrophobicContact CD2-CE2 4.22Å; R125-Y132 PolarHBondContact NE-O 3.49Å; H128-Y132 HydrophobicContact CB-CD2 4.16Å; H128-Y132 HydrophobicContact CB-CE2 3.97Å; H128-Y132 AromaticContact CD2-CE2 3.67Å; H128-Y132 AromaticContact CG-CE2 3.98Å; Y132-N134 VanDerWaalsContact C-N 3.27Å; Y132-I135 HydrophobicContact CD1-CD1 3.92Å; Y132-I135 WeakPolarHBondContact O-CG1 3.14Å
133	N	93.4	Very high	94	Very high	24 Å²	24	35.7 Å²	35.7	13%	0.128	20%	0.199	C	C	.	.	T	Hydrogen-bonded Turn	trans	-77.7	-12.4	172.3	-66.1	-33.9	0	0	0	112.9	F60 L68 R125 Q131	F60-N133 WeakPolarHBondContact CB-O 3.34Å; F60-N133 VanDerWaalsContact CD1-O 3.28Å; F60-N133 WeakPolarHBondContact CD1-O 3.36Å; L68-N133 HydrophobicContact CD2-CB 4.07Å; R125-N133 WeakPolarHBondContact CD-OD1 3.46Å; Q131-N133 PolarHBondContact O-N 2.92Å
134	N	94.9	Very high	93.8	Very high	7 Å²	7	38 Å²	38	4%	0.037	21%	0.208	C	C	.	.	T	Hydrogen-bonded Turn	trans	-93.4	5.1	176.8	68.6	-33.1	0	0	0	113.7	F60 F75 S96 Y99 P100 T102 R103 S104 Y132	F60-N134 WeakPolarHBondContact CE1-O 3.38Å; F75-N134 HydrophobicContact CE2-CB 4.12Å; F75-N134 HydrophobicContact CZ-CB 4.4Å; S96-N134 WeakPolarHBondContact CA-ND2 3.35Å; S96-N134 WeakPolarHBondContact CA-OD1 3.29Å; S96-N134 WeakPolarHBondContact CB-OD1 3.43Å; S96-N134 PolarHBondContact O-ND2 3.3Å; S96-N134 PolarHBondContact O-OD1 2.87Å; S96-N134 PolarHBondContact OG-OD1 3.41Å; Y99-N134 PolarHBondContact O-ND2 2.82Å; P100-N134 WeakPolarHBondContact CA-ND2 3.29Å; T102-N134 PolarHBondContact O-ND2 3.13Å; R103-N134 CarbonylContact C-O 3.54Å; R103-N134 VanDerWaalsContact CA-O 3.28Å; R103-N134 WeakPolarHBondContact CA-O 3.39Å; S104-N134 PolarHBondContact N-O 3.13Å; Y132-N134 VanDerWaalsContact C-N 3.27Å
135	I	97.2	Very high	93.6	Very high	0 Å²	0	42.9 Å²	42.9	0%	0	23%	0.228	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-124.6	143.7	178.8	60.8	162	0	0	0	112.9	L92 F93 S104 I121 R125 Y132	L92-I135 HydrophobicContact CD1-CB 3.77Å; L92-I135 HydrophobicContact CD1-CG2 3.78Å; L92-I135 HydrophobicContact CD2-CB 4.29Å; L92-I135 HydrophobicContact CD2-CD1 4.36Å; L92-I135 HydrophobicContact CG-CB 3.81Å; L92-I135 HydrophobicContact CG-CD1 4.01Å; L92-I135 HydrophobicContact CG-CG2 4.05Å; L92-I135 WeakPolarHBondContact O-CG2 3.41Å; F93-I135 HydrophobicContact CD1-CD1 3.78Å; F93-I135 HydrophobicContact CE1-CD1 4.17Å; S104-I135 WeakPolarHBondContact O-CA 3.22Å; I121-I135 HydrophobicContact CD1-CD1 4.27Å; I121-I135 HydrophobicContact CD1-CG1 4.45Å; I121-I135 HydrophobicContact CG1-CD1 3.85Å; I121-I135 HydrophobicContact CG1-CG1 4.32Å; I121-I135 HydrophobicContact CG2-CG1 4.49Å; R125-I135 PolarHBondContact NH2-O 3.02Å; Y132-I135 HydrophobicContact CD1-CD1 3.92Å; Y132-I135 WeakPolarHBondContact O-CG1 3.14Å
136	A	97.6	Very high	93.7	Very high	2 Å²	2	41.2 Å²	41.2	2%	0.017	22%	0.222	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-142.1	163.7	174.7	0	0	0	0	0	111.2	L59 F60 L92 S104 V105 G106	L59-A136 HydrophobicContact CB-CB 3.74Å; F60-A136 HydrophobicContact CD1-CB 4.08Å; F60-A136 HydrophobicContact CE1-CB 3.69Å; F60-A136 HydrophobicContact CE2-CB 4.27Å; F60-A136 HydrophobicContact CZ-CB 3.79Å; L92-A136 VanDerWaalsContact CD2-O 3.28Å; L92-A136 WeakPolarHBondContact CD2-O 3.41Å; S104-A136 PolarHBondContact O-N 3.29Å; V105-A136 CarbonylContact C-O 3.55Å; V105-A136 WeakPolarHBondContact CA-O 3.14Å; V105-A136 HydrophobicContact CG2-CB 4.38Å; G106-A136 PolarHBondContact N-O 3.07Å
137	C	97.7	Very high	93.9	Very high	5 Å²	5	39.1 Å²	39.1	3%	0.034	21%	0.21	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-129.7	137.9	173	-172.8	0	0	0	0	109.4	G106 F114 V117 Q118 I121	G106-C137 CarbonylContact O-C 3.44Å; G106-C137 VanDerWaalsContact O-CA 3.3Å; G106-C137 WeakPolarHBondContact O-CA 3.33Å; F114-C137 HydrophobicContact CD2-CB 4.48Å; V117-C137 HydrophobicContact CB-CB 4.24Å; V117-C137 HydrophobicContact CG1-CB 3.57Å; Q118-C137 HydrophobicContact CG-CB 4.49Å; I121-C137 HydrophobicContact CD1-CB 4.18Å
138	I	97	Very high	94	Very high	15 Å²	15	36.9 Å²	36.9	8%	0.077	20%	0.202	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-120	132.9	178.5	-61.3	177.3	0	0	0	108.9	M54 W56 L59 V105 G106 L107 E108 T140 F149	M54-I138 HydrophobicContact CE-CD1 3.51Å; M54-I138 HydrophobicContact CE-CG1 4.4Å; W56-I138 HydrophobicContact CH2-CD1 4.03Å; W56-I138 HydrophobicContact CZ3-CD1 3.7Å; L59-I138 HydrophobicContact CD1-CD1 3.82Å; L59-I138 HydrophobicContact CD1-CG1 3.69Å; V105-I138 HydrophobicContact CG1-CD1 3.85Å; V105-I138 HydrophobicContact CG1-CG1 3.94Å; G106-I138 PolarHBondContact O-N 3.08Å; L107-I138 HydrophobicContact CD2-CB 4.03Å; E108-I138 PolarHBondContact N-O 3.48Å; I138-T140 HydrophobicContact CG2-CG2 4.1Å; I138-T140 PolarHBondContact O-N 3.39Å; I138-F149 HydrophobicContact CD1-CD1 4.27Å; I138-F149 HydrophobicContact CD1-CE1 4.42Å; I138-F149 HydrophobicContact CG2-CE1 4.05Å; I138-F149 HydrophobicContact CG2-CZ 4.39Å
139	R	96.2	Very high	94.3	Very high	62 Å²	62	33.5 Å²	33.5	23%	0.234	19%	0.187	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-80.6	105.2	169.9	-166	-179.5	165.1	-134.1	-6.6	110	T44 L45 E108 F114	T44-R139 PolarHBondContact O-NH1 3.06Å; L45-R139 HydrophobicContact CD2-CG 3.8Å; E108-R139 WeakPolarHBondContact O-CA 3.27Å; F114-R139 HydrophobicContact CB-CB 4.34Å; F114-R139 HydrophobicContact CB-CG 4.33Å; F114-R139 HydrophobicContact CD1-CB 3.72Å; F114-R139 HydrophobicContact CD1-CG 4.13Å; F114-R139 HydrophobicContact CD2-CB 3.68Å; F114-R139 HydrophobicContact CE1-CB 3.71Å; F114-R139 HydrophobicContact CE1-CG 4.49Å; F114-R139 HydrophobicContact CE2-CB 3.72Å; F114-R139 HydrophobicContact CG-CB 3.65Å; F114-R139 HydrophobicContact CG-CG 4.1Å; F114-R139 HydrophobicContact CZ-CB 3.69Å
140	T	96.2	Very high	94.9	Very high	2 Å²	2	28 Å²	28	1%	0.012	15%	0.148	C	C	.	.			trans	-155.6	164.4	-178.5	-170.3	0	0	0	0	111.7	Y47 L107 E108 I109 I138 F149	Y47-T140 VanDerWaalsContact CE1-OG1 3.25Å; Y47-T140 WeakPolarHBondContact CE1-OG1 3.32Å; L107-T140 HydrophobicContact CB-CG2 3.99Å; L107-T140 HydrophobicContact CD1-CG2 4.08Å; L107-T140 HydrophobicContact CD2-CG2 3.72Å; L107-T140 HydrophobicContact CG-CG2 4.14Å; E108-T140 CarbonylContact C-O 3.5Å; E108-T140 PolarHBondContact O-N 2.89Å; E108-T140 VanDerWaalsContact O-N 3.13Å; I109-T140 WeakPolarHBondContact CA-O 3.48Å; I109-T140 WeakPolarHBondContact CB-O 3.41Å; I109-T140 PolarHBondContact N-O 3.14Å; I138-T140 HydrophobicContact CG2-CG2 4.1Å; I138-T140 PolarHBondContact O-N 3.39Å; T140-F149 HydrophobicContact CG2-CE2 4.45Å; T140-F149 HydrophobicContact CG2-CZ 4.46Å
141	N	95.2	Very high	95.5	Very high	5 Å²	5	29.1 Å²	29.1	3%	0.027	14%	0.138	C	C	.	.			trans	-95.3	106.6	167.6	179.3	-3.8	0	0	0	108.7	P39 L45 I109 M143 K144	P39-N141 PolarHBondContact O-ND2 2.96Å; L45-N141 HydrophobicContact CD1-CB 3.84Å; I109-N141 HydrophobicContact CD1-CB 3.81Å; I109-N141 HydrophobicContact CG1-CB 4.44Å; N141-M143 PolarHBondContact O-N 2.91Å; N141-M143 WeakPolarHBondContact OD1-CB 3.37Å; N141-M143 PolarHBondContact OD1-N 2.93Å; N141-K144 HydrophobicContact CB-CB 4.42Å; N141-K144 HydrophobicContact CB-CD 4.49Å; N141-K144 HydrophobicContact CB-CG 4.49Å; N141-K144 PolarHBondContact O-N 3.47Å
142	A	94.6	Very high	95.8	Very high	9 Å²	9	29.7 Å²	29.7	7%	0.074	14%	0.139	C	C	.	.	T	Hydrogen-bonded Turn	trans	-62.9	-12.2	-179.8	0	0	0	0	0	114.5	V84 L107 K144 L146 I176	V84-A142 HydrophobicContact CG1-CB 3.44Å; V84-A142 VanDerWaalsContact CG1-CB 3.44Å; L107-A142 HydrophobicContact CD1-CB 3.9Å; A142-K144 VanDerWaalsContact C-N 3.28Å; A142-L146 HydrophobicContact CB-CD1 4.39Å; A142-L146 HydrophobicContact CB-CD2 4.3Å; A142-L146 WeakPolarHBondContact O-CD1 3.42Å; A142-L146 WeakPolarHBondContact O-CG 2.91Å; A142-I176 HydrophobicContact CB-CD1 4.1Å
143	M	93.9	Very high	96	Very high	29 Å²	29	31.2 Å²	31.2	14%	0.143	15%	0.147	C	C	.	.	T	Hydrogen-bonded Turn	trans	-82.5	-4.6	171.9	-58.1	-177.9	76.4	0	0	113.2	P39 W40 N141 I176 L181	P39-M143 HydrophobicContact CB-SD 3.6Å; P39-M143 VanDerWaalsContact CB-SD 3.6Å; P39-M143 HydrophobicContact CG-SD 3.72Å; W40-M143 HydrophobicContact CZ2-CE 3.97Å; N141-M143 PolarHBondContact O-N 2.91Å; N141-M143 WeakPolarHBondContact OD1-CB 3.37Å; N141-M143 PolarHBondContact OD1-N 2.93Å; M143-I176 HydrophobicContact CG-CD1 3.53Å; M143-L181 HydrophobicContact CE-CD1 3.87Å; M143-L181 HydrophobicContact CG-CD1 4.09Å
144	K	92.6	Very high	96.2	Very high	59 Å²	59	30.5 Å²	30.5	26%	0.257	14%	0.144	S	C	.	.	S	Bend	trans	-129.9	133.1	-175	-63.6	-177.1	-179.5	-178.6	0	110.4	Y47 N141 A142 L146	Y47-K144 HydrophobicContact CE1-CB 4.46Å; N141-K144 HydrophobicContact CB-CB 4.42Å; N141-K144 HydrophobicContact CB-CD 4.49Å; N141-K144 HydrophobicContact CB-CG 4.49Å; N141-K144 PolarHBondContact O-N 3.47Å; A142-K144 VanDerWaalsContact C-N 3.28Å; K144-L146 PolarHBondContact O-N 3.27Å
145	F	91.3	Very high	96.4	Very high	113 Å²	113	30.2 Å²	30.2	50%	0.496	14%	0.142	S	C	.	.			trans	54.6	27.2	167.6	-52.3	-65	0	0	0	115.3	Y47 P147 N148 F149	Y47-F145 HydrophobicContact CD1-CB 3.76Å; Y47-F145 AromaticContact CD1-CD2 3.96Å; Y47-F145 HydrophobicContact CD1-CD2 3.96Å; Y47-F145 HydrophobicContact CD1-CG 4.32Å; Y47-F145 AromaticContact CD2-CD2 4Å; Y47-F145 HydrophobicContact CD2-CD2 4Å; Y47-F145 HydrophobicContact CE1-CB 4.24Å; Y47-F145 AromaticContact CE1-CD2 3.98Å; Y47-F145 HydrophobicContact CE1-CD2 3.98Å; Y47-F145 HydrophobicContact CE2-CD2 4.04Å; Y47-F145 HydrophobicContact CE2-CE2 4.45Å; Y47-F145 HydrophobicContact CG-CB 4.19Å; Y47-F145 AromaticContact CG-CD2 3.97Å; Y47-F145 HydrophobicContact CG-CD2 3.97Å; Y47-F145 HydrophobicContact CG-CG 4.42Å; F145-P147 VanDerWaalsContact C-CD 3.48Å; F145-P147 VanDerWaalsContact C-N 3.32Å; F145-N148 HydrophobicContact CB-CB 4.17Å; F145-N148 WeakPolarHBondContact CB-OD1 3.48Å; F145-N148 WeakPolarHBondContact O-CB 3.13Å; F145-N148 PolarHBondContact O-N 3.05Å; F145-F149 WeakPolarHBondContact O-CD2 3.19Å
146	L	95.2	Very high	96.4	Very high	3 Å²	3	31.8 Å²	31.8	2%	0.016	15%	0.149	C	C	.	.	H	α-helix	trans	-56	-40.4	172.4	-76.2	-178.2	0	0	0	113.3	L107 A142 K144 N148 F149 F150 I184 Y185 L188	L107-L146 HydrophobicContact CD1-CD2 3.44Å; L107-L146 VanDerWaalsContact CD1-CD2 3.44Å; A142-L146 HydrophobicContact CB-CD1 4.39Å; A142-L146 HydrophobicContact CB-CD2 4.3Å; A142-L146 WeakPolarHBondContact O-CD1 3.42Å; A142-L146 WeakPolarHBondContact O-CG 2.91Å; K144-L146 PolarHBondContact O-N 3.27Å; L146-N148 PolarHBondContact O-N 3.37Å; L146-F149 PolarHBondContact O-N 3.43Å; L146-F150 HydrophobicContact CD2-CE2 4.39Å; L146-F150 PolarHBondContact O-N 3.46Å; L146-I184 HydrophobicContact CB-CG2 4.1Å; L146-Y185 HydrophobicContact CD1-CD1 4.31Å; L146-Y185 HydrophobicContact CD1-CE1 3.72Å; L146-L188 HydrophobicContact CB-CD1 3.89Å
147	P	97	Very high	96.5	Very high	35 Å²	35	33 Å²	33	23%	0.227	15%	0.154	C	C	.	.	H	α-helix	trans	-61.9	-11.1	173.1	-24.7	36	0	0	0	115	P51 F145 I184 Y187	P51-P147 WeakPolarHBondContact CD-O 3.46Å; P51-P147 WeakPolarHBondContact CG-O 3.3Å; F145-P147 VanDerWaalsContact C-CD 3.48Å; F145-P147 VanDerWaalsContact C-N 3.32Å; P147-I184 HydrophobicContact CG-CD1 3.76Å; P147-I184 HydrophobicContact CG-CG2 3.95Å; P147-Y187 HydrophobicContact CB-CD1 4.49Å; P147-Y187 HydrophobicContact CB-CE1 4.24Å
148	N	96.8	Very high	96.5	Very high	36 Å²	36	32.7 Å²	32.7	19%	0.193	15%	0.152	C	C	.	.	H	α-helix	trans	-78.7	-25	173.3	-66.6	53.4	0	0	0	112.1	P48 L49 K50 P51 F145 L146	P48-N148 HydrophobicContact CG-CB 4.26Å; P48-N148 WeakPolarHBondContact CG-O 3.44Å; P48-N148 VanDerWaalsContact O-CB 3.24Å; P48-N148 WeakPolarHBondContact O-CB 3.38Å; P48-N148 PolarHBondContact O-ND2 3.13Å; L49-N148 PolarHBondContact O-ND2 3.09Å; K50-N148 CarbonylContact C-O 3.57Å; P51-N148 WeakPolarHBondContact CA-O 3.37Å; F145-N148 HydrophobicContact CB-CB 4.17Å; F145-N148 WeakPolarHBondContact CB-OD1 3.48Å; F145-N148 WeakPolarHBondContact O-CB 3.13Å; F145-N148 PolarHBondContact O-N 3.05Å; L146-N148 PolarHBondContact O-N 3.37Å
149	F	97.3	Very high	96.6	Very high	3 Å²	3	32 Å²	32	1%	0.013	15%	0.149	C	C	.	.	H	α-helix	trans	-88.2	-37.3	179.1	-65.6	-84.7	0	0	0	112.3	Y47 P48 M54 W56 I138 T140 F145 L146	Y47-F149 AromaticContact CD1-CE2 3.72Å; Y47-F149 HydrophobicContact CD1-CE2 3.72Å; Y47-F149 AromaticContact CD1-CZ 3.86Å; Y47-F149 HydrophobicContact CD1-CZ 3.86Å; Y47-F149 HydrophobicContact CE1-CE2 4.41Å; P48-F149 HydrophobicContact CG-CD1 3.71Å; P48-F149 HydrophobicContact CG-CE1 3.94Å; P48-F149 HydrophobicContact CG-CG 4.13Å; M54-F149 HydrophobicContact CE-CD1 4.29Å; M54-F149 HydrophobicContact SD-CD1 3.89Å; M54-F149 HydrophobicContact SD-CE1 4.26Å; W56-F149 WeakPolarHBondContact CZ2-O 3.49Å; I138-F149 HydrophobicContact CD1-CD1 4.27Å; I138-F149 HydrophobicContact CD1-CE1 4.42Å; I138-F149 HydrophobicContact CG2-CE1 4.05Å; I138-F149 HydrophobicContact CG2-CZ 4.39Å; T140-F149 HydrophobicContact CG2-CE2 4.45Å; T140-F149 HydrophobicContact CG2-CZ 4.46Å; F145-F149 WeakPolarHBondContact O-CD2 3.19Å; L146-F149 PolarHBondContact O-N 3.43Å
150	F	97.8	Very high	96.7	Very high	0 Å²	0	29 Å²	29	0%	0	14%	0.137	C	C	.	.	S	Bend	trans	-122.7	140.2	-166.8	-55.7	-70.9	0	0	0	111.3	P51 W56 V79 L82 L146 L155 L188	P51-F150 VanDerWaalsContact CG-O 3.32Å; P51-F150 WeakPolarHBondContact CG-O 3.36Å; W56-F150 HydrophobicContact CH2-CD1 4.09Å; W56-F150 AromaticContact CH2-CE1 3.38Å; W56-F150 HydrophobicContact CH2-CE1 3.38Å; W56-F150 AromaticContact CH2-CZ 3.88Å; W56-F150 HydrophobicContact CH2-CZ 3.88Å; W56-F150 AromaticContact CZ2-CD1 3.9Å; W56-F150 HydrophobicContact CZ2-CD1 3.9Å; W56-F150 AromaticContact CZ2-CE1 3.67Å; W56-F150 HydrophobicContact CZ2-CE1 3.67Å; W56-F150 HydrophobicContact CZ2-CZ 4.48Å; W56-F150 HydrophobicContact CZ3-CE1 4.46Å; V79-F150 HydrophobicContact CB-CE1 4.19Å; V79-F150 HydrophobicContact CG1-CE1 3.92Å; L82-F150 HydrophobicContact CD1-CE1 4.4Å; L82-F150 HydrophobicContact CD1-CE2 3.82Å; L82-F150 HydrophobicContact CD1-CZ 3.45Å; L82-F150 VanDerWaalsContact CD1-CZ 3.45Å; L82-F150 HydrophobicContact CD2-CE2 3.88Å; L82-F150 HydrophobicContact CD2-CZ 4.29Å; L82-F150 HydrophobicContact CG-CZ 4.46Å; L146-F150 HydrophobicContact CD2-CE2 4.39Å; L146-F150 PolarHBondContact O-N 3.46Å; F150-L155 HydrophobicContact CD1-CD2 3.97Å; F150-L155 HydrophobicContact CD2-CD1 4.43Å; F150-L155 HydrophobicContact CE1-CD2 4.13Å; F150-L155 HydrophobicContact CG-CD1 4.42Å; F150-L155 HydrophobicContact CG-CD2 4.44Å; F150-L188 HydrophobicContact CB-CD1 4.49Å; F150-L188 HydrophobicContact CB-CD2 3.65Å; F150-L188 HydrophobicContact CD2-CD1 4.23Å
151	H	97.9	Very high	96.8	Very high	79 Å²	79	29.8 Å²	29.8	37%	0.366	14%	0.141	S	C	.	.			trans	-68.9	162.4	170.7	-63.6	-83.2	0	0	0	111.5	E52 E153 Q154	E52-H151 IonicContact OE1-CE1 3.93Å; E52-H151 PolarHBondContact OE1-CE1 3.3Å; E52-H151 IonicContact OE1-ND1 2.88Å; H151-E153 PolarHBondContact O-N 3.42Å; H151-Q154 HydrophobicContact CB-CB 4.27Å; H151-Q154 PolarHBondContact CD2-OE1 2.84Å; H151-Q154 VanDerWaalsContact O-CB 3.25Å; H151-Q154 WeakPolarHBondContact O-CB 3.39Å; H151-Q154 PolarHBondContact O-N 2.66Å
152	K	97.7	Very high	96.9	Very high	105 Å²	105	30.9 Å²	30.9	46%	0.457	15%	0.145	S	C	.	.	T	Hydrogen-bonded Turn	trans	-53.4	136.5	168.3	-175.7	179.9	175.1	-162.3	0	110.2	Q154 Y187	K152-Q154 PolarHBondContact O-N 2.89Å; K152-Q154 VanDerWaalsContact O-N 3.08Å; K152-Y187 WeakPolarHBondContact CA-O 3.37Å; K152-Y187 HydrophobicContact CB-CD2 4.4Å; K152-Y187 HydrophobicContact CB-CE1 4.11Å; K152-Y187 HydrophobicContact CB-CE2 3.81Å; K152-Y187 HydrophobicContact CD-CD2 4.33Å; K152-Y187 HydrophobicContact CD-CE2 3.96Å; K152-Y187 HydrophobicContact CG-CD2 4.04Å; K152-Y187 HydrophobicContact CG-CE2 3.82Å; K152-Y187 WeakPolarHBondContact CG-O 3.39Å
153	E	97.9	Very high	97	Very high	62 Å²	62	31.5 Å²	31.5	29%	0.29	15%	0.149	S	C	.	.	T	Hydrogen-bonded Turn	trans	56.4	23.2	175	-66.5	167.8	-160.9	0	0	114.2	H151 Y187 L188	H151-E153 PolarHBondContact O-N 3.42Å; E153-Y187 PolarHBondContact N-O 2.9Å; E153-L188 CarbonylContact C-O 3.58Å; E153-L188 WeakPolarHBondContact CA-O 3.21Å; E153-L188 PolarHBondContact N-O 3.29Å
154	Q	98.2	Very high	97	Very high	10 Å²	10	32.8 Å²	32.8	5%	0.047	16%	0.156	C	C	.	.			trans	-74.4	-38.3	-178.5	-169.9	-176.3	-48.3	0	0	112.8	V78 V79 R80 H151 K152 L188	V78-Q154 HydrophobicContact CG1-CG 3.33Å; V79-Q154 PolarHBondContact O-NE2 3.35Å; V79-Q154 VanDerWaalsContact O-NE2 3.11Å; R80-Q154 WeakPolarHBondContact CD-O 3.47Å; R80-Q154 PolarHBondContact NH1-O 3.49Å; H151-Q154 HydrophobicContact CB-CB 4.27Å; H151-Q154 PolarHBondContact CD2-OE1 2.84Å; H151-Q154 VanDerWaalsContact O-CB 3.25Å; H151-Q154 WeakPolarHBondContact O-CB 3.39Å; H151-Q154 PolarHBondContact O-N 2.66Å; K152-Q154 PolarHBondContact O-N 2.89Å; K152-Q154 VanDerWaalsContact O-N 3.08Å; Q154-L188 PolarHBondContact N-O 3.47Å
155	L	98.6	Very high	97.1	Very high	0 Å²	0	31 Å²	31	0%	0	15%	0.15	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-89	141	-169.4	-59.3	176.2	0	0	0	111.5	V79 R80 L82 F150 I158 L188 L189 T190	V79-L155 HydrophobicContact CG1-CD2 4.28Å; R80-L155 CarbonylContact O-C 3.55Å; R80-L155 WeakPolarHBondContact O-CA 3.49Å; L82-L155 HydrophobicContact CB-CD1 3.96Å; L82-L155 HydrophobicContact CB-CD2 4.31Å; L82-L155 HydrophobicContact CD2-CD1 3.7Å; L82-L155 HydrophobicContact CG-CD1 4.43Å; F150-L155 HydrophobicContact CD1-CD2 3.97Å; F150-L155 HydrophobicContact CD2-CD1 4.43Å; F150-L155 HydrophobicContact CE1-CD2 4.13Å; F150-L155 HydrophobicContact CG-CD1 4.42Å; F150-L155 HydrophobicContact CG-CD2 4.44Å; L155-I158 HydrophobicContact CB-CG1 4.46Å; L155-I158 HydrophobicContact CD1-CD1 3.94Å; L155-I158 HydrophobicContact CD1-CG1 3.95Å; L155-L188 HydrophobicContact CD1-CB 3.99Å; L155-L188 HydrophobicContact CD1-CD1 4.46Å; L155-L188 PolarHBondContact N-O 3.14Å; L155-L189 HydrophobicContact CB-CD2 4.11Å; L155-L189 WeakPolarHBondContact O-CA 3.33Å; L155-L189 WeakPolarHBondContact O-CD2 3.5Å; L155-T190 PolarHBondContact O-N 3.08Å
156	H	98.4	Very high	97.2	Very high	33 Å²	33	26.4 Å²	26.4	15%	0.153	13%	0.13	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-97.9	-33	172.7	-65.1	-172.6	0	0	0	111.5	E3 R80 F81 G193 K194	E3-H156 IonicContact OE1-CE1 3.01Å; E3-H156 PolarHBondContact OE1-CE1 3Å; E3-H156 IonicContact OE2-CE1 3.31Å; E3-H156 IonicContact OE2-ND1 3.84Å; E3-H156 PolarHBondContact OE2-ND1 2.93Å; R80-H156 HydrophobicContact CB-CB 4.25Å; R80-H156 PolarHBondContact O-N 2.7Å; F81-H156 HydrophobicContact CD1-CB 4.34Å; F81-H156 HydrophobicContact CE1-CB 4.05Å; H156-G193 CarbonylContact O-C 3.3Å; H156-G193 WeakPolarHBondContact O-CA 3.43Å; H156-K194 PolarHBondContact O-N 2.85Å
157	K	98.7	Very high	97	Very high	27 Å²	27	32.9 Å²	32.9	12%	0.117	16%	0.158	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-140.1	131.9	-177.5	-56.7	-174.7	-173.4	-96.7	0	111.4	R80 F81 L82 F159 K194 Y196 D269 V271	R80-K157 PolarHBondContact O-N 3.3Å; F81-K157 WeakPolarHBondContact CA-O 3.46Å; F81-K157 HydrophobicContact CD1-CB 3.61Å; F81-K157 HydrophobicContact CD1-CD 3.94Å; F81-K157 HydrophobicContact CD1-CG 3.72Å; F81-K157 HydrophobicContact CE1-CB 4Å; F81-K157 HydrophobicContact CE1-CD 3.5Å; F81-K157 HydrophobicContact CE1-CG 3.53Å; F81-K157 HydrophobicContact CE2-CD 4.2Å; F81-K157 HydrophobicContact CG-CB 4.22Å; F81-K157 HydrophobicContact CZ-CD 3.66Å; F81-K157 HydrophobicContact CZ-CG 4.22Å; L82-K157 PolarHBondContact N-O 2.86Å; K157-F159 HydrophobicContact CB-CE2 3.74Å; K157-F159 HydrophobicContact CB-CZ 3.68Å; K157-F159 HydrophobicContact CD-CZ 3.92Å; K157-F159 HydrophobicContact CG-CZ 4.45Å; K157-K194 WeakPolarHBondContact CA-O 3.4Å; K157-Y196 HydrophobicContact CB-CD2 4.43Å; K157-Y196 HydrophobicContact CB-CE2 3.93Å; K157-Y196 HydrophobicContact CD-CE2 3.81Å; K157-Y196 HydrophobicContact CG-CE2 3.83Å; K157-Y196 PolarHBondContact NZ-OH 2.88Å; K157-D269 IonicContact NZ-OD1 3.06Å; K157-D269 PolarHBondContact NZ-OD1 3.23Å; K157-D269 IonicContact NZ-OD2 3.01Å; K157-V271 HydrophobicContact CD-CG2 3.72Å
158	I	98.8	Very high	96.7	Very high	0 Å²	0	38 Å²	38	0%	0	18%	0.177	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-119.8	131.6	170.6	-58.7	177.7	0	0	0	108.5	L82 V84 L155 F160 Y185 L189 K194 I195 Y196	L82-I158 HydrophobicContact CB-CG1 4.32Å; L82-I158 CarbonylContact O-C 3.6Å; L82-I158 WeakPolarHBondContact O-CA 3.16Å; V84-I158 HydrophobicContact CG2-CG2 3.77Å; L155-I158 HydrophobicContact CB-CG1 4.46Å; L155-I158 HydrophobicContact CD1-CD1 3.94Å; L155-I158 HydrophobicContact CD1-CG1 3.95Å; I158-F160 HydrophobicContact CB-CE2 4.39Å; I158-F160 HydrophobicContact CG2-CD2 4.24Å; I158-F160 HydrophobicContact CG2-CE1 4.26Å; I158-F160 HydrophobicContact CG2-CE2 3.46Å; I158-F160 VanDerWaalsContact CG2-CE2 3.46Å; I158-F160 HydrophobicContact CG2-CZ 3.47Å; I158-F160 VanDerWaalsContact CG2-CZ 3.47Å; I158-Y185 HydrophobicContact CD1-CD1 4.33Å; I158-Y185 HydrophobicContact CD1-CG 4.42Å; I158-L189 HydrophobicContact CD1-CD1 3.89Å; I158-L189 HydrophobicContact CD1-CD2 4.06Å; I158-L189 HydrophobicContact CD1-CG 3.64Å; I158-L189 HydrophobicContact CG1-CD1 4.29Å; I158-L189 HydrophobicContact CG1-CD2 3.85Å; I158-L189 HydrophobicContact CG1-CG 4.02Å; I158-K194 PolarHBondContact N-O 3.23Å; I158-I195 HydrophobicContact CB-CG1 4.47Å; I158-I195 WeakPolarHBondContact O-CA 3.44Å; I158-Y196 PolarHBondContact O-N 3.04Å
159	F	98.8	Very high	96.3	Very high	0 Å²	0	46.5 Å²	46.5	0%	0	21%	0.207	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-114.2	133.3	-178.1	-50	-94.3	0	0	0	110.8	F81 L82 V84 L91 L95 K157 L161 Y196 V271	F81-F159 HydrophobicContact CB-CE2 4.07Å; F81-F159 HydrophobicContact CG-CE2 4.32Å; L82-F159 WeakPolarHBondContact O-CD2 3.48Å; L82-F159 PolarHBondContact O-N 3.26Å; V84-F159 WeakPolarHBondContact CB-O 3.35Å; V84-F159 PolarHBondContact N-O 2.76Å; L91-F159 HydrophobicContact CD2-CB 3.62Å; L91-F159 HydrophobicContact CD2-CD1 3.62Å; L91-F159 HydrophobicContact CD2-CD2 3.79Å; L91-F159 HydrophobicContact CD2-CE1 4.19Å; L91-F159 HydrophobicContact CD2-CE2 4.37Å; L91-F159 HydrophobicContact CD2-CG 3.4Å; L91-F159 VanDerWaalsContact CD2-CG 3.4Å; L95-F159 HydrophobicContact CD1-CE2 3.96Å; L95-F159 HydrophobicContact CD1-CZ 4.25Å; L95-F159 HydrophobicContact CD2-CZ 4.26Å; K157-F159 HydrophobicContact CB-CE2 3.74Å; K157-F159 HydrophobicContact CB-CZ 3.68Å; K157-F159 HydrophobicContact CD-CZ 3.92Å; K157-F159 HydrophobicContact CG-CZ 4.45Å; F159-L161 HydrophobicContact CB-CD2 4.35Å; F159-L161 HydrophobicContact CB-CG 4.19Å; F159-Y196 CarbonylContact C-O 3.57Å; F159-Y196 WeakPolarHBondContact CA-O 3.38Å; F159-Y196 AromaticContact CD1-CD2 3.82Å; F159-Y196 HydrophobicContact CD1-CD2 3.82Å; F159-Y196 HydrophobicContact CD1-CG 4.02Å; F159-Y196 AromaticContact CE1-CD2 3.67Å; F159-Y196 HydrophobicContact CE1-CD2 3.67Å; F159-Y196 HydrophobicContact CE1-CE2 4.17Å; F159-Y196 HydrophobicContact CE1-CG 4.09Å; F159-Y196 HydrophobicContact CZ-CD2 4.36Å; F159-V271 HydrophobicContact CD1-CG1 4.43Å; F159-V271 HydrophobicContact CE1-CG1 3.62Å; F159-V271 HydrophobicContact CE1-CG2 4.15Å; F159-V271 HydrophobicContact CZ-CG2 4.27Å
160	F	98.6	Very high	96.1	Very high	0 Å²	0	51.6 Å²	51.6	0%	0	24%	0.238	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-125	85	171.2	-58	-80	0	0	0	108.6	V84 I158 P163 I176 I177 Y185 I195 Y196 S197 T198	V84-F160 HydrophobicContact CB-CD1 3.75Å; V84-F160 HydrophobicContact CB-CE1 3.62Å; V84-F160 HydrophobicContact CG1-CD1 3.98Å; V84-F160 HydrophobicContact CG1-CE1 3.7Å; V84-F160 HydrophobicContact CG2-CD1 4.35Å; V84-F160 HydrophobicContact CG2-CE1 3.8Å; V84-F160 HydrophobicContact CG2-CZ 4.25Å; I158-F160 HydrophobicContact CB-CE2 4.39Å; I158-F160 HydrophobicContact CG2-CD2 4.24Å; I158-F160 HydrophobicContact CG2-CE1 4.26Å; I158-F160 HydrophobicContact CG2-CE2 3.46Å; I158-F160 VanDerWaalsContact CG2-CE2 3.46Å; I158-F160 HydrophobicContact CG2-CZ 3.47Å; I158-F160 VanDerWaalsContact CG2-CZ 3.47Å; F160-P163 HydrophobicContact CB-CG 4.49Å; F160-I176 HydrophobicContact CD1-CB 4.42Å; F160-I176 HydrophobicContact CD1-CG1 3.89Å; F160-I176 HydrophobicContact CD1-CG2 3.62Å; F160-I176 HydrophobicContact CE1-CG1 3.7Å; F160-I176 HydrophobicContact CE1-CG2 4.17Å; F160-I176 HydrophobicContact CG-CG2 4.39Å; F160-I177 HydrophobicContact CB-CD1 4.1Å; F160-I177 HydrophobicContact CD1-CG1 4.46Å; F160-I177 HydrophobicContact CD2-CD1 3.82Å; F160-I177 HydrophobicContact CD2-CG1 4.12Å; F160-I177 HydrophobicContact CE2-CD1 4.41Å; F160-I177 HydrophobicContact CE2-CG1 4.27Å; F160-I177 HydrophobicContact CG-CD1 3.93Å; F160-I177 HydrophobicContact CG-CG1 4.22Å; F160-Y185 HydrophobicContact CE1-CE1 4.38Å; F160-Y185 AromaticContact CE1-CE2 3.96Å; F160-Y185 HydrophobicContact CE1-CE2 3.96Å; F160-Y185 AromaticContact CE1-CZ 3.75Å; F160-Y185 HydrophobicContact CE2-CD2 4.23Å; F160-Y185 HydrophobicContact CE2-CE2 4.12Å; F160-Y185 HydrophobicContact CZ-CD1 4.31Å; F160-Y185 AromaticContact CZ-CD2 3.74Å; F160-Y185 HydrophobicContact CZ-CD2 3.74Å; F160-Y185 AromaticContact CZ-CE1 3.93Å; F160-Y185 HydrophobicContact CZ-CE1 3.93Å; F160-Y185 AromaticContact CZ-CE2 3.33Å; F160-Y185 HydrophobicContact CZ-CE2 3.33Å; F160-Y185 HydrophobicContact CZ-CG 4.24Å; F160-Y185 AromaticContact CZ-CZ 3.44Å; F160-Y185 VanDerWaalsContact CZ-CZ 3.44Å; F160-I195 HydrophobicContact CD2-CG2 3.7Å; F160-I195 HydrophobicContact CE2-CD1 4.5Å; F160-I195 HydrophobicContact CE2-CG2 3.75Å; F160-Y196 PolarHBondContact N-O 3.12Å; F160-S197 VanDerWaalsContact O-CA 3.28Å; F160-S197 WeakPolarHBondContact O-CA 3.41Å; F160-S197 PolarHBondContact O-OG 2.93Å; F160-T198 PolarHBondContact O-N 3.38Å
161	L	98.1	Very high	95.8	Very high	18 Å²	18	55.3 Å²	55.3	9%	0.094	25%	0.254	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-99.8	113.1	-172.7	-52.7	-170.1	0	0	0	111	L91 F159 T198 L275 T280	L91-L161 HydrophobicContact CB-CD1 3.93Å; L91-L161 HydrophobicContact CD1-CD1 4.42Å; L91-L161 HydrophobicContact CD2-CD1 3.56Å; L91-L161 HydrophobicContact CD2-CG 4.31Å; L91-L161 HydrophobicContact CG-CD1 4.14Å; F159-L161 HydrophobicContact CB-CD2 4.35Å; F159-L161 HydrophobicContact CB-CG 4.19Å; L161-T198 WeakPolarHBondContact CA-OG1 3.28Å; L161-T198 HydrophobicContact CD2-CG2 4Å; L161-L275 HydrophobicContact CD1-CD2 3.68Å; L161-L275 HydrophobicContact CD2-CD2 3.69Å; L161-L275 HydrophobicContact CG-CD2 4.37Å; L161-T280 HydrophobicContact CB-CG2 4.09Å; L161-T280 HydrophobicContact CD1-CG2 3.43Å; L161-T280 VanDerWaalsContact CD1-CG2 3.43Å; L161-T280 HydrophobicContact CG-CG2 4.43Å
162	Y	97.3	Very high	95.5	Very high	28 Å²	28	53.6 Å²	53.6	11%	0.11	25%	0.246	C	C	.	.	S	Bend	trans	54.1	52.1	-175.8	-57.7	-94.7	0	0	0	113.7	T198 D200 E282 A283 A286 T293	Y162-T198 WeakPolarHBondContact CA-O 3.3Å; Y162-T198 WeakPolarHBondContact CD2-OG1 3.4Å; Y162-T198 VanDerWaalsContact CE2-OG1 3.31Å; Y162-T198 WeakPolarHBondContact CE2-OG1 3.14Å; Y162-T198 PolarHBondContact N-O 2.67Å; Y162-D200 HydrophobicContact CD1-CB 4.35Å; Y162-D200 HydrophobicContact CE1-CB 4.04Å; Y162-E282 HydrophobicContact CD1-CB 4.33Å; Y162-E282 HydrophobicContact CD2-CB 3.86Å; Y162-E282 HydrophobicContact CG-CB 3.74Å; Y162-A283 HydrophobicContact CE2-CB 3.75Å; Y162-A283 VanDerWaalsContact OH-CA 3.3Å; Y162-A283 WeakPolarHBondContact OH-CA 3.32Å; Y162-A283 WeakPolarHBondContact OH-CB 3.23Å; Y162-A286 HydrophobicContact CE1-CB 3.98Å; Y162-T293 HydrophobicContact CE1-CG2 4.47Å; Y162-T293 VanDerWaalsContact OH-CG2 3.32Å; Y162-T293 WeakPolarHBondContact OH-CG2 3.45Å; Y162-T293 PolarHBondContact OH-OG1 2.8Å
163	P	96.7	Very high	95.2	Very high	22 Å²	22	55.7 Å²	55.7	14%	0.143	26%	0.255	C	S	.	.			trans	-63.5	154.8	178.3	28.2	-32.6	0	0	0	111.3	F160 P165 I176 T198 L204 I208	F160-P163 HydrophobicContact CB-CG 4.49Å; P163-P165 WeakPolarHBondContact O-CD 3.36Å; P163-I176 HydrophobicContact CB-CG2 3.62Å; P163-I176 HydrophobicContact CG-CG2 4.34Å; P163-T198 WeakPolarHBondContact CD-O 3.35Å; P163-L204 HydrophobicContact CG-CD2 3.9Å; P163-L204 WeakPolarHBondContact O-CD2 3.4Å; P163-I208 HydrophobicContact CG-CD1 4.5Å
164	D	94.4	Very high	95	Very high	56 Å²	56	54.9 Å²	54.9	30%	0.299	25%	0.249	S	C	.	.			trans	-60.7	121.5	178.5	-173.2	-26.1	0	0	0	110.2	H36 H166	H36-D164 WeakPolarHBondContact CB-OD2 3.46Å; D164-H166 PolarHBondContact O-N 3.26Å; D164-H166 IonicContact OD1-CE1 3.3Å; D164-H166 IonicContact OD1-CG 3.84Å; D164-H166 PolarHBondContact OD1-N 2.91Å; D164-H166 IonicContact OD1-ND1 3.82Å; D164-H166 PolarHBondContact OD1-ND1 3.36Å; D164-H166 IonicContact OD2-CE1 2.86Å; D164-H166 PolarHBondContact OD2-CE1 3.46Å; D164-H166 IonicContact OD2-ND1 3.9Å; D164-H166 PolarHBondContact OD2-ND1 3.44Å; D164-H166 IonicContact OD2-NE2 2.95Å
165	P	94.1	Very high	94.9	Very high	20 Å²	20	55 Å²	55	13%	0.13	25%	0.249	C	C	.	.			trans	-67.8	-23.3	-176.1	26.1	-36.2	0	0	0	113.5	P163 F167 R175 V201 L204	P163-P165 WeakPolarHBondContact O-CD 3.36Å; P165-F167 HydrophobicContact CB-CD1 4.15Å; P165-F167 HydrophobicContact CB-CE1 3.82Å; P165-F167 HydrophobicContact CB-CE2 4.21Å; P165-F167 HydrophobicContact CB-CG 4.48Å; P165-F167 HydrophobicContact CB-CZ 3.86Å; P165-F167 HydrophobicContact CG-CD1 4.3Å; P165-F167 HydrophobicContact CG-CD2 3.92Å; P165-F167 HydrophobicContact CG-CE1 3.79Å; P165-F167 HydrophobicContact CG-CE2 3.34Å; P165-F167 HydrophobicContact CG-CG 4.37Å; P165-F167 HydrophobicContact CG-CZ 3.27Å; P165-F167 PolarHBondContact O-N 3.23Å; P165-R175 PolarHBondContact O-NE 2.81Å; P165-R175 PolarHBondContact O-NH2 2.88Å; P165-R175 VanDerWaalsContact O-NH2 3.13Å; P165-V201 HydrophobicContact CB-CB 4.36Å; P165-V201 HydrophobicContact CB-CG1 4.11Å; P165-V201 HydrophobicContact CB-CG2 4.16Å; P165-V201 HydrophobicContact CG-CG2 4.21Å; P165-L204 HydrophobicContact CB-CB 4.23Å; P165-L204 HydrophobicContact CB-CD2 3.98Å
166	H	92.6	Very high	94.8	Very high	18 Å²	18	56.3 Å²	56.3	8%	0.083	26%	0.256	C	S	.	.			trans	45	57.4	-176.7	-66.2	-42.3	0	0	0	113.6	D164 K168 K171 H172 W174 R175	D164-H166 PolarHBondContact O-N 3.26Å; D164-H166 IonicContact OD1-CE1 3.3Å; D164-H166 IonicContact OD1-CG 3.84Å; D164-H166 PolarHBondContact OD1-N 2.91Å; D164-H166 IonicContact OD1-ND1 3.82Å; D164-H166 PolarHBondContact OD1-ND1 3.36Å; D164-H166 IonicContact OD2-CE1 2.86Å; D164-H166 PolarHBondContact OD2-CE1 3.46Å; D164-H166 IonicContact OD2-ND1 3.9Å; D164-H166 PolarHBondContact OD2-ND1 3.44Å; D164-H166 IonicContact OD2-NE2 2.95Å; H166-K168 PolarHBondContact O-N 2.94Å; H166-K171 HydrophobicContact CB-CB 3.97Å; H166-K171 WeakPolarHBondContact CB-O 3.35Å; H166-H172 PolarHBondContact O-CD2 3.24Å; H166-W174 WeakPolarHBondContact CD2-CB 3.4Å; H166-W174 PolarHBondContact CD2-O 2.78Å; H166-W174 VanDerWaalsContact CD2-O 3.27Å; H166-W174 WeakPolarHBondContact NE2-CB 3.4Å; H166-W174 PolarHBondContact NE2-O 2.84Å; H166-R175 HydrophobicContact CB-CG 4.27Å
167	F	90.6	Very high	94.8	Very high	138 Å²	138	54.9 Å²	54.9	61%	0.605	25%	0.249	S	C	*	.			trans	-48.6	-27.5	-170.3	-58.5	-76.5	0	0	0	117.4	P165 V201	P165-F167 HydrophobicContact CB-CD1 4.15Å; P165-F167 HydrophobicContact CB-CE1 3.82Å; P165-F167 HydrophobicContact CB-CE2 4.21Å; P165-F167 HydrophobicContact CB-CG 4.48Å; P165-F167 HydrophobicContact CB-CZ 3.86Å; P165-F167 HydrophobicContact CG-CD1 4.3Å; P165-F167 HydrophobicContact CG-CD2 3.92Å; P165-F167 HydrophobicContact CG-CE1 3.79Å; P165-F167 HydrophobicContact CG-CE2 3.34Å; P165-F167 HydrophobicContact CG-CG 4.37Å; P165-F167 HydrophobicContact CG-CZ 3.27Å; P165-F167 PolarHBondContact O-N 3.23Å; F167-V201 HydrophobicContact CE1-CG1 3.66Å; F167-V201 HydrophobicContact CE1-CG2 4.21Å; F167-V201 HydrophobicContact CZ-CG1 4.4Å; F167-V201 HydrophobicContact CZ-CG2 4.14Å
168	K	91.3	Very high	94.6	Very high	144 Å²	144	54.5 Å²	54.5	63%	0.626	25%	0.25	S	S	*	.	S	Bend	trans	-79.8	128.1	-178.7	-63.6	-173.4	178.9	-172.8	0	109.2	H166 V170 K171 H172	H166-K168 PolarHBondContact O-N 2.94Å; K168-V170 HydrophobicContact CB-CG2 4.16Å; K168-V170 PolarHBondContact O-N 3.22Å; K168-K171 HydrophobicContact CB-CG 4.33Å; K168-K171 WeakPolarHBondContact O-CA 3.28Å; K168-K171 WeakPolarHBondContact O-CB 3.45Å; K168-K171 PolarHBondContact O-N 3.46Å; K168-H172 PolarHBondContact O-CD2 2.87Å; K168-H172 PolarHBondContact O-N 3.45Å
169	R	89.6	Confident	94.5	Very high	214 Å²	214	58.2 Å²	58.2	81%	0.808	27%	0.274	S	S	*	.	G	3₁₀ helix	trans	-43.8	-44.5	178	-170.6	174.8	70.5	-179.6	1.4	114.1	K171 H172	R169-K171 PolarHBondContact O-N 3.03Å; R169-K171 VanDerWaalsContact O-N 3.12Å; R169-H172 WeakPolarHBondContact O-CB 3.48Å; R169-H172 PolarHBondContact O-N 3.22Å
170	V	93	Very high	94.2	Very high	110 Å²	110	63.2 Å²	63.2	67%	0.667	31%	0.305	S	S	*	.	G	3₁₀ helix	trans	-62.3	-18.2	178.8	-60.3	0	0	0	0	114.4	K168	K168-V170 HydrophobicContact CB-CG2 4.16Å; K168-V170 PolarHBondContact O-N 3.22Å
171	K	91.5	Very high	94.2	Very high	77 Å²	77	64 Å²	64	34%	0.335	31%	0.309	S	S	.	.	G	3₁₀ helix	trans	-103.6	-0	177.9	-60.3	-171.5	172.9	-171.8	0	113.2	H166 K168 R169 K173 W174	H166-K171 HydrophobicContact CB-CB 3.97Å; H166-K171 WeakPolarHBondContact CB-O 3.35Å; K168-K171 HydrophobicContact CB-CG 4.33Å; K168-K171 WeakPolarHBondContact O-CA 3.28Å; K168-K171 WeakPolarHBondContact O-CB 3.45Å; K168-K171 PolarHBondContact O-N 3.46Å; R169-K171 PolarHBondContact O-N 3.03Å; R169-K171 VanDerWaalsContact O-N 3.12Å; K171-K173 PolarHBondContact O-N 2.77Å; K171-K173 VanDerWaalsContact O-N 3.15Å; K171-W174 HydrophobicContact CB-CD2 4.21Å; K171-W174 HydrophobicContact CB-CE3 4.07Å; K171-W174 HydrophobicContact CD-CE3 3.85Å; K171-W174 HydrophobicContact CD-CH2 4.32Å; K171-W174 HydrophobicContact CD-CZ3 3.65Å; K171-W174 HydrophobicContact CG-CD2 4.34Å; K171-W174 HydrophobicContact CG-CE3 3.98Å; K171-W174 HydrophobicContact CG-CH2 4.38Å; K171-W174 HydrophobicContact CG-CZ3 4.01Å; K171-W174 VanDerWaalsContact O-CB 3.26Å; K171-W174 WeakPolarHBondContact O-CB 3.43Å; K171-W174 PolarHBondContact O-N 3.19Å
172	H	91.5	Very high	94.2	Very high	44 Å²	44	63.1 Å²	63.1	20%	0.204	30%	0.304	C	S	.	.	G	3₁₀ helix	trans	-59.1	-30.1	177.4	-71.7	-168.1	0	0	0	112	H166 K168 R169 W174 R175 W207	H166-H172 PolarHBondContact O-CD2 3.24Å; K168-H172 PolarHBondContact O-CD2 2.87Å; K168-H172 PolarHBondContact O-N 3.45Å; R169-H172 WeakPolarHBondContact O-CB 3.48Å; R169-H172 PolarHBondContact O-N 3.22Å; H172-W174 PolarHBondContact O-N 3.25Å; H172-R175 PolarHBondContact NE2-NH2 3.34Å; H172-R175 WeakPolarHBondContact O-CB 3.3Å; H172-R175 WeakPolarHBondContact O-CG 3.39Å; H172-R175 PolarHBondContact O-N 2.73Å; H172-W207 HydrophobicContact CB-CH2 4.25Å
173	K	91.1	Very high	94.2	Very high	148 Å²	148	66.3 Å²	66.3	64%	0.643	32%	0.324	S	S	*	.	G	3₁₀ helix	trans	-61.1	-8.2	171.2	65.2	171	-175.9	178.6	0	115	K171	K171-K173 PolarHBondContact O-N 2.77Å; K171-K173 VanDerWaalsContact O-N 3.15Å
174	W	93.5	Very high	94.2	Very high	45 Å²	45	67.9 Å²	67.9	17%	0.17	33%	0.33	C	S	.	.	G	3₁₀ helix	trans	-97.3	-7.3	175.9	-58.4	-8	0	0	0	112.2	N38 P39 W40 H166 K171 H172 I176	N38-W174 HydrophobicContact CB-CH2 4.5Å; P39-W174 HydrophobicContact CG-CB 3.91Å; P39-W174 HydrophobicContact CG-CD2 4.44Å; P39-W174 HydrophobicContact CG-CG 4.03Å; W40-W174 AromaticContact CD1-CD1 3.21Å; W40-W174 AromaticContact CD1-CE2 3.85Å; W40-W174 AromaticContact CD1-NE1 3.08Å; W40-W174 AromaticContact NE1-CD1 3.09Å; W40-W174 AromaticContact NE1-NE1 3.44Å; H166-W174 WeakPolarHBondContact CD2-CB 3.4Å; H166-W174 PolarHBondContact CD2-O 2.78Å; H166-W174 VanDerWaalsContact CD2-O 3.27Å; H166-W174 WeakPolarHBondContact NE2-CB 3.4Å; H166-W174 PolarHBondContact NE2-O 2.84Å; K171-W174 HydrophobicContact CB-CD2 4.21Å; K171-W174 HydrophobicContact CB-CE3 4.07Å; K171-W174 HydrophobicContact CD-CE3 3.85Å; K171-W174 HydrophobicContact CD-CH2 4.32Å; K171-W174 HydrophobicContact CD-CZ3 3.65Å; K171-W174 HydrophobicContact CG-CD2 4.34Å; K171-W174 HydrophobicContact CG-CE3 3.98Å; K171-W174 HydrophobicContact CG-CH2 4.38Å; K171-W174 HydrophobicContact CG-CZ3 4.01Å; K171-W174 VanDerWaalsContact O-CB 3.26Å; K171-W174 WeakPolarHBondContact O-CB 3.43Å; K171-W174 PolarHBondContact O-N 3.19Å; H172-W174 PolarHBondContact O-N 3.25Å; W174-I176 PolarHBondContact O-N 3Å
175	R	95.9	Very high	94.4	Very high	13 Å²	13	65.2 Å²	65.2	5%	0.049	32%	0.316	C	S	.	.			trans	-64.4	133.4	177.3	-69	176.9	176.6	177.1	-3.8	109.6	P165 H166 H172 I177 L204	P165-R175 PolarHBondContact O-NE 2.81Å; P165-R175 PolarHBondContact O-NH2 2.88Å; P165-R175 VanDerWaalsContact O-NH2 3.13Å; H166-R175 HydrophobicContact CB-CG 4.27Å; H172-R175 PolarHBondContact NE2-NH2 3.34Å; H172-R175 WeakPolarHBondContact O-CB 3.3Å; H172-R175 WeakPolarHBondContact O-CG 3.39Å; H172-R175 PolarHBondContact O-N 2.73Å; R175-I177 PolarHBondContact O-N 2.72Å; R175-L204 HydrophobicContact CG-CD1 4.37Å
176	I	96.8	Very high	94.6	Very high	28 Å²	28	64.3 Å²	64.3	14%	0.144	31%	0.31	C	S	.	.	S	Bend	trans	-70.4	-21	-175.5	-163.6	59.7	0	0	0	112.8	V84 A142 M143 F160 P163 W174 L181 Y185	V84-I176 HydrophobicContact CG1-CD1 4.12Å; V84-I176 HydrophobicContact CG1-CG1 3.83Å; A142-I176 HydrophobicContact CB-CD1 4.1Å; M143-I176 HydrophobicContact CG-CD1 3.53Å; F160-I176 HydrophobicContact CD1-CB 4.42Å; F160-I176 HydrophobicContact CD1-CG1 3.89Å; F160-I176 HydrophobicContact CD1-CG2 3.62Å; F160-I176 HydrophobicContact CE1-CG1 3.7Å; F160-I176 HydrophobicContact CE1-CG2 4.17Å; F160-I176 HydrophobicContact CG-CG2 4.39Å; P163-I176 HydrophobicContact CB-CG2 3.62Å; P163-I176 HydrophobicContact CG-CG2 4.34Å; W174-I176 PolarHBondContact O-N 3Å; I176-L181 HydrophobicContact CD1-CD1 4.37Å; I176-L181 WeakPolarHBondContact O-CD1 3.47Å; I176-Y185 WeakPolarHBondContact CG1-OH 3.39Å; I176-Y185 WeakPolarHBondContact O-CE2 3.26Å; I176-Y185 PolarHBondContact O-OH 3.05Å
177	I	97.6	Very high	94.8	Very high	2 Å²	2	68.5 Å²	68.5	1%	0.01	33%	0.326	C	S	.	.	S	Bend	trans	-104.5	117.8	168	-69	162.1	0	0	0	107.5	F160 R175 L182 W207 I208 C211	F160-I177 HydrophobicContact CB-CD1 4.1Å; F160-I177 HydrophobicContact CD1-CG1 4.46Å; F160-I177 HydrophobicContact CD2-CD1 3.82Å; F160-I177 HydrophobicContact CD2-CG1 4.12Å; F160-I177 HydrophobicContact CE2-CD1 4.41Å; F160-I177 HydrophobicContact CE2-CG1 4.27Å; F160-I177 HydrophobicContact CG-CD1 3.93Å; F160-I177 HydrophobicContact CG-CG1 4.22Å; R175-I177 PolarHBondContact O-N 2.72Å; I177-L182 HydrophobicContact CG2-CD2 4.39Å; I177-W207 PolarHBondContact O-NE1 2.62Å; I177-I208 HydrophobicContact CB-CG1 4.15Å; I177-I208 HydrophobicContact CD1-CB 4.37Å; I177-I208 HydrophobicContact CD1-CD1 3.81Å; I177-I208 HydrophobicContact CD1-CG1 3.72Å; I177-I208 HydrophobicContact CD1-CG2 3.82Å; I177-I208 HydrophobicContact CG2-CB 4.5Å; I177-I208 HydrophobicContact CG2-CG1 4.19Å; I177-I208 HydrophobicContact CG2-CG2 4.42Å; I177-C211 HydrophobicContact CG2-CB 4.06Å
178	S	95.9	Very high	95.2	Very high	19 Å²	19	62 Å²	62	13%	0.133	30%	0.297	C	S	.	.			trans	-155.2	160	177.7	65.5	0	0	0	0	108.8	T180 L181 L182	S178-T180 VanDerWaalsContact C-N 3.32Å; S178-T180 PolarHBondContact O-N 3.31Å; S178-L181 PolarHBondContact O-N 3.4Å; S178-L181 VanDerWaalsContact O-N 3.09Å; S178-L182 WeakPolarHBondContact O-CG 3.1Å; S178-L182 PolarHBondContact O-N 3.27Å
179	P	94.8	Very high	95.5	Very high	78 Å²	78	55.1 Å²	55.1	51%	0.506	27%	0.268	S	S	.	.	H	α-helix	trans	-50.4	-47.9	-178.9	-30.2	36.7	0	0	0	113.7	L181 L182 D183	P179-L181 PolarHBondContact O-N 3.34Å; P179-L182 WeakPolarHBondContact O-CB 3.48Å; P179-L182 PolarHBondContact O-N 2.99Å; P179-D183 PolarHBondContact O-N 3.46Å
180	T	93.9	Very high	96	Very high	106 Å²	106	46.7 Å²	46.7	65%	0.65	24%	0.24	S	C	*	.	H	α-helix	trans	-65.8	-35.7	-179.9	-51.5	0	0	0	0	113.7	S178	S178-T180 VanDerWaalsContact C-N 3.32Å; S178-T180 PolarHBondContact O-N 3.31Å
181	L	97.5	Very high	96.2	Very high	15 Å²	15	43.5 Å²	43.5	8%	0.079	22%	0.222	C	C	.	.	H	α-helix	trans	-76.2	-28.4	177.5	-73.3	171.9	0	0	0	111.6	M143 I176 S178 P179 D183 I184 Y185	M143-L181 HydrophobicContact CE-CD1 3.87Å; M143-L181 HydrophobicContact CG-CD1 4.09Å; I176-L181 HydrophobicContact CD1-CD1 4.37Å; I176-L181 WeakPolarHBondContact O-CD1 3.47Å; S178-L181 PolarHBondContact O-N 3.4Å; S178-L181 VanDerWaalsContact O-N 3.09Å; P179-L181 PolarHBondContact O-N 3.34Å; L181-D183 VanDerWaalsContact C-N 3.31Å; L181-D183 PolarHBondContact O-N 3.03Å; L181-I184 WeakPolarHBondContact O-CB 3.47Å; L181-I184 PolarHBondContact O-N 3.33Å; L181-I184 VanDerWaalsContact O-N 3.15Å; L181-Y185 HydrophobicContact CB-CE2 3.77Å; L181-Y185 VanDerWaalsContact O-CD2 3.23Å; L181-Y185 WeakPolarHBondContact O-CD2 3.33Å; L181-Y185 PolarHBondContact O-N 2.8Å
182	L	98.1	Very high	96.5	Very high	0 Å²	0	41.8 Å²	41.8	0%	0	23%	0.226	C	C	.	.	H	α-helix	trans	-63.7	-35.2	174.8	-72.7	173.9	0	0	0	112.1	I177 S178 P179 I184 Y185 A186 I195 C211 L212 H215 F218	I177-L182 HydrophobicContact CG2-CD2 4.39Å; S178-L182 WeakPolarHBondContact O-CG 3.1Å; S178-L182 PolarHBondContact O-N 3.27Å; P179-L182 WeakPolarHBondContact O-CB 3.48Å; P179-L182 PolarHBondContact O-N 2.99Å; L182-I184 VanDerWaalsContact C-N 3.3Å; L182-I184 PolarHBondContact O-N 2.81Å; L182-Y185 HydrophobicContact CD2-CD2 4.12Å; L182-Y185 PolarHBondContact O-N 2.81Å; L182-A186 VanDerWaalsContact O-CB 3.28Å; L182-A186 WeakPolarHBondContact O-CB 3.34Å; L182-A186 PolarHBondContact O-N 2.82Å; L182-I195 HydrophobicContact CD2-CD1 4.21Å; L182-C211 HydrophobicContact CD1-CB 3.78Å; L182-C211 VanDerWaalsContact CD1-O 3.27Å; L182-C211 WeakPolarHBondContact CD1-O 3.07Å; L182-L212 HydrophobicContact CD1-CD2 4.3Å; L182-L212 HydrophobicContact CD1-CG 4.45Å; L182-L212 HydrophobicContact CD2-CD2 3.44Å; L182-L212 VanDerWaalsContact CD2-CD2 3.44Å; L182-L212 HydrophobicContact CD2-CG 4.18Å; L182-H215 VanDerWaalsContact CB-CD2 3.44Å; L182-H215 WeakPolarHBondContact CB-CD2 3.34Å; L182-H215 HydrophobicContact CD1-CB 4.08Å; L182-F218 HydrophobicContact CB-CE2 4.16Å; L182-F218 HydrophobicContact CD2-CD2 4.24Å; L182-F218 HydrophobicContact CD2-CE2 3.91Å
183	D	97.1	Very high	96.9	Very high	96 Å²	96	39.9 Å²	39.9	51%	0.513	22%	0.218	S	C	.	.	H	α-helix	trans	-58.6	-43.7	171.8	-69.2	-49.1	0	0	0	111.2	P179 L181 A186 Y187 H215	P179-D183 PolarHBondContact O-N 3.46Å; L181-D183 VanDerWaalsContact C-N 3.31Å; L181-D183 PolarHBondContact O-N 3.03Å; D183-A186 PolarHBondContact O-N 2.82Å; D183-Y187 WeakPolarHBondContact O-CB 3.41Å; D183-Y187 PolarHBondContact O-N 3.01Å; D183-H215 PolarHBondContact N-NE2 3.06Å; D183-H215 IonicContact OD1-NE2 3.47Å; D183-H215 PolarHBondContact OD1-NE2 3.35Å
184	I	97.8	Very high	97.2	Very high	54 Å²	54	34.4 Å²	34.4	28%	0.277	19%	0.194	S	C	.	.	H	α-helix	trans	-64.7	-46.6	176.8	-60.9	-73.4	0	0	0	110.3	L146 P147 L181 L182 A186 Y187 L188	L146-I184 HydrophobicContact CB-CG2 4.1Å; P147-I184 HydrophobicContact CG-CD1 3.76Å; P147-I184 HydrophobicContact CG-CG2 3.95Å; L181-I184 WeakPolarHBondContact O-CB 3.47Å; L181-I184 PolarHBondContact O-N 3.33Å; L181-I184 VanDerWaalsContact O-N 3.15Å; L182-I184 VanDerWaalsContact C-N 3.3Å; L182-I184 PolarHBondContact O-N 2.81Å; I184-A186 VanDerWaalsContact C-N 3.32Å; I184-A186 PolarHBondContact O-N 2.94Å; I184-Y187 WeakPolarHBondContact O-CB 3.01Å; I184-Y187 PolarHBondContact O-N 3.24Å; I184-L188 HydrophobicContact CG2-CD1 4.13Å; I184-L188 WeakPolarHBondContact O-CG 3.41Å; I184-L188 PolarHBondContact O-N 2.95Å; I184-L188 VanDerWaalsContact O-N 3.08Å
185	Y	98.4	Very high	97.5	Very high	0 Å²	0	32.3 Å²	32.3	0%	0	19%	0.186	C	C	.	.	H	α-helix	trans	-64.7	-37.7	179.2	-55	-32.4	0	0	0	111.9	L146 I158 F160 I176 L181 L182 Y187 L188 L189 I195	L146-Y185 HydrophobicContact CD1-CD1 4.31Å; L146-Y185 HydrophobicContact CD1-CE1 3.72Å; I158-Y185 HydrophobicContact CD1-CD1 4.33Å; I158-Y185 HydrophobicContact CD1-CG 4.42Å; F160-Y185 HydrophobicContact CE1-CE1 4.38Å; F160-Y185 AromaticContact CE1-CE2 3.96Å; F160-Y185 HydrophobicContact CE1-CE2 3.96Å; F160-Y185 AromaticContact CE1-CZ 3.75Å; F160-Y185 HydrophobicContact CE2-CD2 4.23Å; F160-Y185 HydrophobicContact CE2-CE2 4.12Å; F160-Y185 HydrophobicContact CZ-CD1 4.31Å; F160-Y185 AromaticContact CZ-CD2 3.74Å; F160-Y185 HydrophobicContact CZ-CD2 3.74Å; F160-Y185 AromaticContact CZ-CE1 3.93Å; F160-Y185 HydrophobicContact CZ-CE1 3.93Å; F160-Y185 AromaticContact CZ-CE2 3.33Å; F160-Y185 HydrophobicContact CZ-CE2 3.33Å; F160-Y185 HydrophobicContact CZ-CG 4.24Å; F160-Y185 AromaticContact CZ-CZ 3.44Å; F160-Y185 VanDerWaalsContact CZ-CZ 3.44Å; I176-Y185 WeakPolarHBondContact CG1-OH 3.39Å; I176-Y185 WeakPolarHBondContact O-CE2 3.26Å; I176-Y185 PolarHBondContact O-OH 3.05Å; L181-Y185 HydrophobicContact CB-CE2 3.77Å; L181-Y185 VanDerWaalsContact O-CD2 3.23Å; L181-Y185 WeakPolarHBondContact O-CD2 3.33Å; L181-Y185 PolarHBondContact O-N 2.8Å; L182-Y185 HydrophobicContact CD2-CD2 4.12Å; L182-Y185 PolarHBondContact O-N 2.81Å; Y185-Y187 VanDerWaalsContact C-N 3.34Å; Y185-L188 PolarHBondContact O-N 3.23Å; Y185-L189 WeakPolarHBondContact O-CB 3.33Å; Y185-L189 WeakPolarHBondContact O-CG 3.36Å; Y185-L189 PolarHBondContact O-N 3.31Å; Y185-I195 HydrophobicContact CD2-CD1 4.47Å
186	A	98.1	Very high	97.6	Very high	2 Å²	2	31.7 Å²	31.7	2%	0.017	18%	0.184	C	C	.	.	H	α-helix	trans	-68	-31.2	174.3	0	0	0	0	0	112.9	L182 D183 I184 L217 F218 R300	L182-A186 VanDerWaalsContact O-CB 3.28Å; L182-A186 WeakPolarHBondContact O-CB 3.34Å; L182-A186 PolarHBondContact O-N 2.82Å; D183-A186 PolarHBondContact O-N 2.82Å; I184-A186 VanDerWaalsContact C-N 3.32Å; I184-A186 PolarHBondContact O-N 2.94Å; A186-L217 HydrophobicContact CB-CB 4.13Å; A186-L217 HydrophobicContact CB-CD1 3.9Å; A186-F218 HydrophobicContact CB-CE2 3.87Å; A186-F218 HydrophobicContact CB-CZ 3.86Å; A186-R300 PolarHBondContact O-NE 2.89Å; A186-R300 PolarHBondContact O-NH2 3.35Å
187	Y	97.5	Very high	97.7	Very high	106 Å²	106	30.4 Å²	30.4	42%	0.416	18%	0.177	S	C	.	.	H	α-helix	trans	-66.9	-38	171.4	175.2	-96.1	0	0	0	111.7	P147 K152 E153 D183 I184 Y185	P147-Y187 HydrophobicContact CB-CD1 4.49Å; P147-Y187 HydrophobicContact CB-CE1 4.24Å; K152-Y187 WeakPolarHBondContact CA-O 3.37Å; K152-Y187 HydrophobicContact CB-CD2 4.4Å; K152-Y187 HydrophobicContact CB-CE1 4.11Å; K152-Y187 HydrophobicContact CB-CE2 3.81Å; K152-Y187 HydrophobicContact CD-CD2 4.33Å; K152-Y187 HydrophobicContact CD-CE2 3.96Å; K152-Y187 HydrophobicContact CG-CD2 4.04Å; K152-Y187 HydrophobicContact CG-CE2 3.82Å; K152-Y187 WeakPolarHBondContact CG-O 3.39Å; E153-Y187 PolarHBondContact N-O 2.9Å; D183-Y187 WeakPolarHBondContact O-CB 3.41Å; D183-Y187 PolarHBondContact O-N 3.01Å; I184-Y187 WeakPolarHBondContact O-CB 3.01Å; I184-Y187 PolarHBondContact O-N 3.24Å; Y185-Y187 VanDerWaalsContact C-N 3.34Å
188	L	98.2	Very high	97.7	Very high	0 Å²	0	30.6 Å²	30.6	0%	0	18%	0.178	C	C	.	.	H	α-helix	trans	-84.5	-31.2	-176.4	-64.6	-179.7	0	0	0	114.4	L146 F150 E153 Q154 L155 I184 Y185	L146-L188 HydrophobicContact CB-CD1 3.89Å; F150-L188 HydrophobicContact CB-CD1 4.49Å; F150-L188 HydrophobicContact CB-CD2 3.65Å; F150-L188 HydrophobicContact CD2-CD1 4.23Å; E153-L188 CarbonylContact C-O 3.58Å; E153-L188 WeakPolarHBondContact CA-O 3.21Å; E153-L188 PolarHBondContact N-O 3.29Å; Q154-L188 PolarHBondContact N-O 3.47Å; L155-L188 HydrophobicContact CD1-CB 3.99Å; L155-L188 HydrophobicContact CD1-CD1 4.46Å; L155-L188 PolarHBondContact N-O 3.14Å; I184-L188 HydrophobicContact CG2-CD1 4.13Å; I184-L188 WeakPolarHBondContact O-CG 3.41Å; I184-L188 PolarHBondContact O-N 2.95Å; I184-L188 VanDerWaalsContact O-N 3.08Å; Y185-L188 PolarHBondContact O-N 3.23Å
189	L	98.6	Very high	97.7	Very high	0 Å²	0	29.7 Å²	29.7	0%	0	17%	0.172	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-78.6	134.4	178.8	-81.1	168.3	0	0	0	111.8	L155 I158 Y185 I195 F218 R300	L155-L189 HydrophobicContact CB-CD2 4.11Å; L155-L189 WeakPolarHBondContact O-CA 3.33Å; L155-L189 WeakPolarHBondContact O-CD2 3.5Å; I158-L189 HydrophobicContact CD1-CD1 3.89Å; I158-L189 HydrophobicContact CD1-CD2 4.06Å; I158-L189 HydrophobicContact CD1-CG 3.64Å; I158-L189 HydrophobicContact CG1-CD1 4.29Å; I158-L189 HydrophobicContact CG1-CD2 3.85Å; I158-L189 HydrophobicContact CG1-CG 4.02Å; Y185-L189 WeakPolarHBondContact O-CB 3.33Å; Y185-L189 WeakPolarHBondContact O-CG 3.36Å; Y185-L189 PolarHBondContact O-N 3.31Å; L189-I195 HydrophobicContact CD1-CD1 4.1Å; L189-I195 HydrophobicContact CD1-CG1 3.6Å; L189-F218 HydrophobicContact CD1-CE1 3.91Å; L189-F218 HydrophobicContact CD1-CZ 4.26Å; L189-R300 HydrophobicContact CB-CB 4.06Å; L189-R300 HydrophobicContact CB-CG 4.01Å; L189-R300 HydrophobicContact CD1-CB 4.47Å
190	T	98.4	Very high	97.7	Very high	37 Å²	37	27.4 Å²	27.4	23%	0.227	16%	0.156	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-62.5	148.5	165.6	-173.3	0	0	0	0	110.6	L155 G192 G193 R300	L155-T190 PolarHBondContact O-N 3.08Å; T190-G192 PolarHBondContact O-N 3.25Å; T190-G193 WeakPolarHBondContact O-CA 3.5Å; T190-G193 PolarHBondContact O-N 3.48Å; T190-R300 WeakPolarHBondContact O-CG 3.47Å
191	P	98.3	Very high	97.8	Very high	44 Å²	44	23.3 Å²	23.3	29%	0.286	13%	0.13	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-50.5	132.8	162	-26.5	36.1	0	0	0	111.3	G193 P302	P191-G193 VanDerWaalsContact C-N 3.27Å; P191-P302 HydrophobicContact CB-CB 4.39Å; P191-P302 HydrophobicContact CB-CG 4.14Å
192	G	98.1	Very high	97.6	Very high	41 Å²	41	25.2 Å²	25.2	42%	0.423	14%	0.144	S	C	.	.	E	Extended strand (participates in β ladder)	trans	84.3	-11.5	-170.4	0	0	0	0	0	114.7	T190 R300	T190-G192 PolarHBondContact O-N 3.25Å; G192-R300 PolarHBondContact N-O 2.81Å
193	G	98.5	Very high	97.5	Very high	3 Å²	3	30.9 Å²	30.9	3%	0.031	17%	0.174	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-67.4	156.1	173.3	0	0	0	0	0	112	H156 T190 P191 E299 R300	H156-G193 CarbonylContact O-C 3.3Å; H156-G193 WeakPolarHBondContact O-CA 3.43Å; T190-G193 WeakPolarHBondContact O-CA 3.5Å; T190-G193 PolarHBondContact O-N 3.48Å; P191-G193 VanDerWaalsContact C-N 3.27Å; G193-E299 CarbonylContact O-C 3.59Å; G193-E299 WeakPolarHBondContact O-CA 3.38Å; G193-R300 WeakPolarHBondContact O-CB 3.39Å; G193-R300 PolarHBondContact O-N 3.2Å
194	K	98.7	Very high	97.4	Very high	34 Å²	34	26.4 Å²	26.4	15%	0.148	15%	0.15	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-124.6	143.9	-170	-71.9	171.2	175.2	173.4	0	113.5	H156 K157 I158 Y196 D269 V297 Y298 E299	H156-K194 PolarHBondContact O-N 2.85Å; K157-K194 WeakPolarHBondContact CA-O 3.4Å; I158-K194 PolarHBondContact N-O 3.23Å; K194-Y196 HydrophobicContact CB-CD2 4.32Å; K194-Y196 HydrophobicContact CB-CE2 3.52Å; K194-Y196 WeakPolarHBondContact CD-OH 3.39Å; K194-D269 WeakPolarHBondContact CD-OD2 3.27Å; K194-D269 IonicContact NZ-OD2 3.95Å; K194-D269 PolarHBondContact NZ-OD2 3.39Å; K194-V297 HydrophobicContact CD-CG1 4.37Å; K194-Y298 CarbonylContact C-O 3.59Å; K194-Y298 VanDerWaalsContact CA-O 3.28Å; K194-Y298 WeakPolarHBondContact CA-O 3.43Å; K194-E299 HydrophobicContact CG-CB 4.27Å; K194-E299 HydrophobicContact CG-CG 4.27Å
195	I	98.8	Very high	97.3	Very high	1 Å²	1	23.9 Å²	23.9	1%	0.005	14%	0.137	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-98.4	127.8	164.1	-66.4	179.8	0	0	0	108	I158 F160 L182 Y185 L189 L212 F218 V297 Y298	I158-I195 HydrophobicContact CB-CG1 4.47Å; I158-I195 WeakPolarHBondContact O-CA 3.44Å; F160-I195 HydrophobicContact CD2-CG2 3.7Å; F160-I195 HydrophobicContact CE2-CD1 4.5Å; F160-I195 HydrophobicContact CE2-CG2 3.75Å; L182-I195 HydrophobicContact CD2-CD1 4.21Å; Y185-I195 HydrophobicContact CD2-CD1 4.47Å; L189-I195 HydrophobicContact CD1-CD1 4.1Å; L189-I195 HydrophobicContact CD1-CG1 3.6Å; I195-L212 HydrophobicContact CD1-CD2 4.1Å; I195-F218 HydrophobicContact CD1-CD1 4.27Å; I195-F218 HydrophobicContact CD1-CE1 3.55Å; I195-F218 HydrophobicContact CD1-CE2 4.25Å; I195-F218 HydrophobicContact CD1-CZ 3.55Å; I195-F218 HydrophobicContact CG1-CE1 4.09Å; I195-F218 HydrophobicContact CG1-CZ 4.49Å; I195-V297 WeakPolarHBondContact O-CA 3.37Å; I195-Y298 PolarHBondContact N-O 2.55Å; I195-Y298 PolarHBondContact O-N 2.83Å
196	Y	98.7	Very high	97.2	Very high	0 Å²	0	28.8 Å²	28.8	0%	0	16%	0.159	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-112.8	124.9	171.6	-56.4	-95.6	0	0	0	108.5	K157 I158 F159 F160 K194 D269 V271 L272 L275 V297	K157-Y196 HydrophobicContact CB-CD2 4.43Å; K157-Y196 HydrophobicContact CB-CE2 3.93Å; K157-Y196 HydrophobicContact CD-CE2 3.81Å; K157-Y196 HydrophobicContact CG-CE2 3.83Å; K157-Y196 PolarHBondContact NZ-OH 2.88Å; I158-Y196 PolarHBondContact O-N 3.04Å; F159-Y196 CarbonylContact C-O 3.57Å; F159-Y196 WeakPolarHBondContact CA-O 3.38Å; F159-Y196 AromaticContact CD1-CD2 3.82Å; F159-Y196 HydrophobicContact CD1-CD2 3.82Å; F159-Y196 HydrophobicContact CD1-CG 4.02Å; F159-Y196 AromaticContact CE1-CD2 3.67Å; F159-Y196 HydrophobicContact CE1-CD2 3.67Å; F159-Y196 HydrophobicContact CE1-CE2 4.17Å; F159-Y196 HydrophobicContact CE1-CG 4.09Å; F159-Y196 HydrophobicContact CZ-CD2 4.36Å; F160-Y196 PolarHBondContact N-O 3.12Å; K194-Y196 HydrophobicContact CB-CD2 4.32Å; K194-Y196 HydrophobicContact CB-CE2 3.52Å; K194-Y196 WeakPolarHBondContact CD-OH 3.39Å; Y196-D269 WeakPolarHBondContact CE1-OD2 3.43Å; Y196-D269 PolarHBondContact OH-OD1 3.15Å; Y196-D269 VanDerWaalsContact OH-OD1 3.04Å; Y196-D269 PolarHBondContact OH-OD2 3.24Å; Y196-V271 HydrophobicContact CD1-CB 4.48Å; Y196-V271 HydrophobicContact CD1-CG1 3.57Å; Y196-V271 HydrophobicContact CD2-CG1 4.32Å; Y196-V271 HydrophobicContact CE1-CB 3.97Å; Y196-V271 HydrophobicContact CE1-CG1 3.54Å; Y196-V271 HydrophobicContact CE2-CG1 4.31Å; Y196-V271 HydrophobicContact CG-CG1 3.98Å; Y196-L272 HydrophobicContact CD1-CD2 4.28Å; Y196-L272 HydrophobicContact CE1-CD2 4.15Å; Y196-L275 HydrophobicContact CD1-CD1 4.2Å; Y196-V297 HydrophobicContact CD1-CG1 3.93Å; Y196-V297 HydrophobicContact CD1-CG2 3.82Å; Y196-V297 HydrophobicContact CE1-CG1 3.82Å; Y196-V297 HydrophobicContact CE1-CG2 4.29Å
197	S	98.4	Very high	97.1	Very high	0 Å²	0	32 Å²	32	0%	0	17%	0.17	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-126.4	136.5	174.9	-174.4	0	0	0	0	110.6	F160 I208 I296	F160-S197 VanDerWaalsContact O-CA 3.28Å; F160-S197 WeakPolarHBondContact O-CA 3.41Å; F160-S197 PolarHBondContact O-OG 2.93Å; S197-I208 WeakPolarHBondContact OG-CD1 3.36Å; S197-I296 PolarHBondContact N-O 2.76Å; S197-I296 PolarHBondContact O-N 2.94Å
198	T	97.5	Very high	97.1	Very high	6 Å²	6	27 Å²	27	4%	0.037	15%	0.151	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-123.8	142.9	168.3	61.7	0	0	0	0	110.3	F160 L161 Y162 P163 L275 T293 F294 L295	F160-T198 PolarHBondContact O-N 3.38Å; L161-T198 WeakPolarHBondContact CA-OG1 3.28Å; L161-T198 HydrophobicContact CD2-CG2 4Å; Y162-T198 WeakPolarHBondContact CA-O 3.3Å; Y162-T198 WeakPolarHBondContact CD2-OG1 3.4Å; Y162-T198 VanDerWaalsContact CE2-OG1 3.31Å; Y162-T198 WeakPolarHBondContact CE2-OG1 3.14Å; Y162-T198 PolarHBondContact N-O 2.67Å; P163-T198 WeakPolarHBondContact CD-O 3.35Å; T198-L275 HydrophobicContact CG2-CD1 4.4Å; T198-L275 HydrophobicContact CG2-CD2 4.41Å; T198-T293 HydrophobicContact CG2-CG2 4.32Å; T198-F294 VanDerWaalsContact CA-O 3.28Å; T198-F294 WeakPolarHBondContact CA-O 3.47Å; T198-L295 HydrophobicContact CG2-CB 4.38Å; T198-L295 HydrophobicContact CG2-CD1 3.76Å
199	T	97	Very high	97.1	Very high	1 Å²	1	27.3 Å²	27.3	1%	0.006	15%	0.153	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-152.9	149.7	172.8	-175.9	0	0	0	0	110.4	V201 L204 T293 F294	T199-V201 PolarHBondContact OG1-N 3.01Å; T199-V201 VanDerWaalsContact OG1-N 3.15Å; T199-L204 HydrophobicContact CG2-CB 4.45Å; T199-L204 WeakPolarHBondContact OG1-CD2 3.49Å; T199-T293 CarbonylContact O-C 3.56Å; T199-T293 WeakPolarHBondContact O-CA 3.16Å; T199-F294 HydrophobicContact CG2-CB 4.16Å; T199-F294 HydrophobicContact CG2-CD2 4.42Å; T199-F294 PolarHBondContact N-O 3.07Å; T199-F294 WeakPolarHBondContact O-CD2 3.38Å; T199-F294 PolarHBondContact O-N 3.22Å
200	D	95.1	Very high	96.9	Very high	29 Å²	29	31 Å²	31	16%	0.155	17%	0.173	C	C	.	.	S	Bend	trans	-100.3	14.4	171.7	49.8	17.2	0	0	0	112	Y162 A286 R291 E292	Y162-D200 HydrophobicContact CD1-CB 4.35Å; Y162-D200 HydrophobicContact CE1-CB 4.04Å; D200-A286 HydrophobicContact CB-CB 4.27Å; D200-R291 HydrophobicContact CB-CB 4.25Å; D200-R291 IonicContact OD1-NH1 3.24Å; D200-R291 PolarHBondContact OD1-NH1 3.12Å; D200-R291 IonicContact OD2-CZ 2.73Å; D200-R291 IonicContact OD2-NE 2.66Å; D200-R291 IonicContact OD2-NH1 3.43Å; D200-R291 PolarHBondContact OD2-NH1 3.02Å; D200-R291 IonicContact OD2-NH2 2.72Å; D200-R291 PolarHBondContact OD2-NH2 2.9Å; D200-E292 VanDerWaalsContact CA-O 3.24Å; D200-E292 WeakPolarHBondContact CA-O 3.35Å; D200-E292 WeakPolarHBondContact CB-O 3.44Å
201	V	95.1	Very high	96.9	Very high	20 Å²	20	29.8 Å²	29.8	12%	0.121	17%	0.166	C	C	.	.			trans	-118	106.8	-179.7	179.6	0	0	0	0	109.2	P165 F167 T199 D203 L204 G205	P165-V201 HydrophobicContact CB-CB 4.36Å; P165-V201 HydrophobicContact CB-CG1 4.11Å; P165-V201 HydrophobicContact CB-CG2 4.16Å; P165-V201 HydrophobicContact CG-CG2 4.21Å; F167-V201 HydrophobicContact CE1-CG1 3.66Å; F167-V201 HydrophobicContact CE1-CG2 4.21Å; F167-V201 HydrophobicContact CZ-CG1 4.4Å; F167-V201 HydrophobicContact CZ-CG2 4.14Å; T199-V201 PolarHBondContact OG1-N 3.01Å; T199-V201 VanDerWaalsContact OG1-N 3.15Å; V201-D203 VanDerWaalsContact C-N 3.32Å; V201-D203 HydrophobicContact CG1-CB 4.31Å; V201-D203 PolarHBondContact O-N 3.06Å; V201-L204 HydrophobicContact CB-CB 3.92Å; V201-L204 HydrophobicContact CG1-CB 3.95Å; V201-L204 WeakPolarHBondContact O-CB 3.49Å; V201-L204 PolarHBondContact O-N 3.12Å; V201-G205 PolarHBondContact O-N 3.43Å
202	P	94	Very high	96.9	Very high	56 Å²	56	27.8 Å²	27.8	36%	0.364	15%	0.152	S	C	.	.	H	α-helix	trans	-53.7	-44.8	-178.6	-23.5	28.5	0	0	0	113.2	L204 G205 K206 I248 F294	P202-L204 VanDerWaalsContact C-N 3.26Å; P202-L204 PolarHBondContact O-N 2.74Å; P202-G205 WeakPolarHBondContact O-CA 3.46Å; P202-G205 PolarHBondContact O-N 3.03Å; P202-G205 VanDerWaalsContact O-N 3.09Å; P202-K206 PolarHBondContact O-N 2.85Å; P202-I248 HydrophobicContact CB-CD1 4.26Å; P202-I248 HydrophobicContact CB-CG2 4.3Å; P202-I248 VanDerWaalsContact O-CD1 3.27Å; P202-I248 WeakPolarHBondContact O-CD1 3.49Å; P202-F294 HydrophobicContact CB-CE2 3.99Å; P202-F294 HydrophobicContact CB-CZ 3.95Å; P202-F294 HydrophobicContact CG-CE2 3.57Å; P202-F294 HydrophobicContact CG-CZ 3.67Å
203	D	94.4	Very high	96.8	Very high	118 Å²	118	29.1 Å²	29.1	63%	0.631	15%	0.154	S	C	*	.	H	α-helix	trans	-60.6	-33.4	178.2	-73.4	-12.4	0	0	0	113.4	V201 W207	V201-D203 VanDerWaalsContact C-N 3.32Å; V201-D203 HydrophobicContact CG1-CB 4.31Å; V201-D203 PolarHBondContact O-N 3.06Å; D203-W207 WeakPolarHBondContact O-CB 3.32Å; D203-W207 PolarHBondContact O-N 2.92Å; D203-W207 VanDerWaalsContact O-N 3.15Å
204	L	96.4	Very high	96.7	Very high	3 Å²	3	33 Å²	33	2%	0.016	19%	0.186	C	C	.	.	H	α-helix	trans	-75.7	-40.7	175.4	-176.5	61	0	0	0	110.3	P163 P165 R175 T199 V201 P202 K206 W207 I208	P163-L204 HydrophobicContact CG-CD2 3.9Å; P163-L204 WeakPolarHBondContact O-CD2 3.4Å; P165-L204 HydrophobicContact CB-CB 4.23Å; P165-L204 HydrophobicContact CB-CD2 3.98Å; R175-L204 HydrophobicContact CG-CD1 4.37Å; T199-L204 HydrophobicContact CG2-CB 4.45Å; T199-L204 WeakPolarHBondContact OG1-CD2 3.49Å; V201-L204 HydrophobicContact CB-CB 3.92Å; V201-L204 HydrophobicContact CG1-CB 3.95Å; V201-L204 WeakPolarHBondContact O-CB 3.49Å; V201-L204 PolarHBondContact O-N 3.12Å; P202-L204 VanDerWaalsContact C-N 3.26Å; P202-L204 PolarHBondContact O-N 2.74Å; L204-K206 VanDerWaalsContact C-N 3.34Å; L204-K206 PolarHBondContact O-N 3.15Å; L204-W207 WeakPolarHBondContact O-CB 3.35Å; L204-W207 PolarHBondContact O-N 3.35Å; L204-I208 HydrophobicContact CD1-CD1 4.33Å; L204-I208 HydrophobicContact CD1-CG1 4.46Å; L204-I208 HydrophobicContact CG-CD1 3.93Å; L204-I208 HydrophobicContact CG-CG1 4.49Å; L204-I208 VanDerWaalsContact O-CG1 3.25Å; L204-I208 WeakPolarHBondContact O-CG1 3.41Å; L204-I208 PolarHBondContact O-N 3.34Å
205	G	96.1	Very high	96.7	Very high	0 Å²	0	32 Å²	32	0%	0	18%	0.182	C	C	.	.	H	α-helix	trans	-55.3	-51.5	173.6	0	0	0	0	0	110.7	V201 P202 W207 I208 V209	V201-G205 PolarHBondContact O-N 3.43Å; P202-G205 WeakPolarHBondContact O-CA 3.46Å; P202-G205 PolarHBondContact O-N 3.03Å; P202-G205 VanDerWaalsContact O-N 3.09Å; G205-W207 VanDerWaalsContact C-N 3.34Å; G205-W207 PolarHBondContact O-N 2.92Å; G205-I208 WeakPolarHBondContact O-CB 3.42Å; G205-I208 PolarHBondContact O-N 3.13Å; G205-I208 VanDerWaalsContact O-N 3.11Å; G205-V209 PolarHBondContact O-N 3.34Å
206	K	95.3	Very high	96.6	Very high	104 Å²	104	36.8 Å²	36.8	45%	0.452	21%	0.213	S	C	.	.	H	α-helix	trans	-56.2	-47.4	176.5	177.5	161.7	177.3	45.8	0	111.9	P202 L204 I208 V209 D210 I248	P202-K206 PolarHBondContact O-N 2.85Å; L204-K206 VanDerWaalsContact C-N 3.34Å; L204-K206 PolarHBondContact O-N 3.15Å; K206-I208 VanDerWaalsContact C-N 3.28Å; K206-I208 PolarHBondContact O-N 2.86Å; K206-V209 PolarHBondContact O-N 3.06Å; K206-D210 WeakPolarHBondContact CE-OD2 3.25Å; K206-D210 WeakPolarHBondContact CG-OD2 3.35Å; K206-D210 VanDerWaalsContact NZ-CG 3.33Å; K206-D210 IonicContact NZ-OD1 3.46Å; K206-D210 PolarHBondContact NZ-OD1 3.33Å; K206-D210 IonicContact NZ-OD2 2.79Å; K206-D210 PolarHBondContact NZ-OD2 3.13Å; K206-D210 WeakPolarHBondContact O-CB 3.45Å; K206-D210 PolarHBondContact O-N 3.29Å; K206-I248 HydrophobicContact CB-CD1 4.07Å
207	W	96.6	Very high	96.5	Very high	68 Å²	68	38.1 Å²	38.1	26%	0.258	22%	0.22	S	C	.	.	H	α-helix	trans	-57.3	-41.8	177	170.3	-86.1	0	0	0	112.7	H172 I177 D203 L204 G205 C211	H172-W207 HydrophobicContact CB-CH2 4.25Å; I177-W207 PolarHBondContact O-NE1 2.62Å; D203-W207 WeakPolarHBondContact O-CB 3.32Å; D203-W207 PolarHBondContact O-N 2.92Å; D203-W207 VanDerWaalsContact O-N 3.15Å; L204-W207 WeakPolarHBondContact O-CB 3.35Å; L204-W207 PolarHBondContact O-N 3.35Å; G205-W207 VanDerWaalsContact C-N 3.34Å; G205-W207 PolarHBondContact O-N 2.92Å; W207-C211 WeakPolarHBondContact O-CB 3.31Å; W207-C211 PolarHBondContact O-N 3.29Å; W207-C211 PolarHBondContact O-SG 2.82Å
208	I	97.5	Very high	96.5	Very high	1 Å²	1	38.7 Å²	38.7	1%	0.005	22%	0.222	C	C	.	.	H	α-helix	trans	-65.5	-47.9	-179.7	-71.3	168.8	0	0	0	110.6	P163 I177 S197 L204 G205 K206 C211 L212 I296	P163-I208 HydrophobicContact CG-CD1 4.5Å; I177-I208 HydrophobicContact CB-CG1 4.15Å; I177-I208 HydrophobicContact CD1-CB 4.37Å; I177-I208 HydrophobicContact CD1-CD1 3.81Å; I177-I208 HydrophobicContact CD1-CG1 3.72Å; I177-I208 HydrophobicContact CD1-CG2 3.82Å; I177-I208 HydrophobicContact CG2-CB 4.5Å; I177-I208 HydrophobicContact CG2-CG1 4.19Å; I177-I208 HydrophobicContact CG2-CG2 4.42Å; S197-I208 WeakPolarHBondContact OG-CD1 3.36Å; L204-I208 HydrophobicContact CD1-CD1 4.33Å; L204-I208 HydrophobicContact CD1-CG1 4.46Å; L204-I208 HydrophobicContact CG-CD1 3.93Å; L204-I208 HydrophobicContact CG-CG1 4.49Å; L204-I208 VanDerWaalsContact O-CG1 3.25Å; L204-I208 WeakPolarHBondContact O-CG1 3.41Å; L204-I208 PolarHBondContact O-N 3.34Å; G205-I208 WeakPolarHBondContact O-CB 3.42Å; G205-I208 PolarHBondContact O-N 3.13Å; G205-I208 VanDerWaalsContact O-N 3.11Å; K206-I208 VanDerWaalsContact C-N 3.28Å; K206-I208 PolarHBondContact O-N 2.86Å; I208-C211 PolarHBondContact O-N 3.2Å; I208-L212 HydrophobicContact CG2-CD1 3.62Å; I208-L212 WeakPolarHBondContact O-CB 3.48Å; I208-L212 WeakPolarHBondContact O-CG 3.28Å; I208-L212 PolarHBondContact O-N 2.82Å; I208-I296 HydrophobicContact CB-CD1 4.23Å; I208-I296 HydrophobicContact CG2-CD1 4.05Å; I208-I296 HydrophobicContact CG2-CG2 4.19Å
209	V	96.8	Very high	96.5	Very high	8 Å²	8	43.9 Å²	43.9	5%	0.048	24%	0.241	C	C	.	.	H	α-helix	trans	-60.2	-48.4	175.5	167.5	0	0	0	0	111	G205 K206 C211 L212 C213 F249 I296	G205-V209 PolarHBondContact O-N 3.34Å; K206-V209 PolarHBondContact O-N 3.06Å; V209-C211 VanDerWaalsContact C-N 3.31Å; V209-C211 PolarHBondContact O-N 3.21Å; V209-L212 PolarHBondContact O-N 3.42Å; V209-C213 VanDerWaalsContact O-CB 3.29Å; V209-C213 WeakPolarHBondContact O-CB 3.27Å; V209-C213 PolarHBondContact O-N 3.25Å; V209-C213 PolarHBondContact O-SG 3.11Å; V209-F249 HydrophobicContact CB-CD1 4.43Å; V209-F249 HydrophobicContact CB-CE1 3.62Å; V209-F249 HydrophobicContact CB-CZ 3.98Å; V209-F249 HydrophobicContact CG1-CD1 4.24Å; V209-F249 HydrophobicContact CG1-CE1 3.84Å; V209-F249 HydrophobicContact CG2-CD1 4.11Å; V209-F249 HydrophobicContact CG2-CE1 3.42Å; V209-F249 VanDerWaalsContact CG2-CE1 3.42Å; V209-F249 HydrophobicContact CG2-CE2 4.1Å; V209-F249 HydrophobicContact CG2-CZ 3.4Å; V209-I296 HydrophobicContact CG2-CD1 3.9Å; V209-I296 HydrophobicContact CG2-CG1 4.08Å; V209-I296 HydrophobicContact CG2-CG2 3.91Å
210	D	96.1	Very high	96.5	Very high	78 Å²	78	45 Å²	45	42%	0.417	25%	0.249	S	C	.	.	H	α-helix	trans	-58.3	-42.5	179	-69.3	-16	0	0	0	111.4	K206 A214	K206-D210 WeakPolarHBondContact CE-OD2 3.25Å; K206-D210 WeakPolarHBondContact CG-OD2 3.35Å; K206-D210 VanDerWaalsContact NZ-CG 3.33Å; K206-D210 IonicContact NZ-OD1 3.46Å; K206-D210 PolarHBondContact NZ-OD1 3.33Å; K206-D210 IonicContact NZ-OD2 2.79Å; K206-D210 PolarHBondContact NZ-OD2 3.13Å; K206-D210 WeakPolarHBondContact O-CB 3.45Å; K206-D210 PolarHBondContact O-N 3.29Å; D210-A214 VanDerWaalsContact O-CB 3.3Å; D210-A214 WeakPolarHBondContact O-CB 3.34Å; D210-A214 PolarHBondContact O-N 2.82Å
211	C	97.5	Very high	96.6	Very high	11 Å²	11	45.4 Å²	45.4	7%	0.074	25%	0.252	C	S	.	.	H	α-helix	trans	-67.4	-44.8	177.4	-69	0	0	0	0	112.5	I177 L182 W207 I208 V209 H215	I177-C211 HydrophobicContact CG2-CB 4.06Å; L182-C211 HydrophobicContact CD1-CB 3.78Å; L182-C211 VanDerWaalsContact CD1-O 3.27Å; L182-C211 WeakPolarHBondContact CD1-O 3.07Å; W207-C211 WeakPolarHBondContact O-CB 3.31Å; W207-C211 PolarHBondContact O-N 3.29Å; W207-C211 PolarHBondContact O-SG 2.82Å; I208-C211 PolarHBondContact O-N 3.2Å; V209-C211 VanDerWaalsContact C-N 3.31Å; V209-C211 PolarHBondContact O-N 3.21Å; C211-H215 PolarHBondContact O-N 3.37Å
212	L	97.9	Very high	96.6	Very high	1 Å²	1	44.5 Å²	44.5	1%	0.005	25%	0.246	C	C	.	.	H	α-helix	trans	-71.1	-42.2	-176.9	-78.1	163.1	0	0	0	112	L182 I195 I208 V209 A214 H215 F218 I296 Y298	L182-L212 HydrophobicContact CD1-CD2 4.3Å; L182-L212 HydrophobicContact CD1-CG 4.45Å; L182-L212 HydrophobicContact CD2-CD2 3.44Å; L182-L212 VanDerWaalsContact CD2-CD2 3.44Å; L182-L212 HydrophobicContact CD2-CG 4.18Å; I195-L212 HydrophobicContact CD1-CD2 4.1Å; I208-L212 HydrophobicContact CG2-CD1 3.62Å; I208-L212 WeakPolarHBondContact O-CB 3.48Å; I208-L212 WeakPolarHBondContact O-CG 3.28Å; I208-L212 PolarHBondContact O-N 2.82Å; V209-L212 PolarHBondContact O-N 3.42Å; L212-A214 VanDerWaalsContact C-N 3.28Å; L212-A214 PolarHBondContact O-N 3.26Å; L212-H215 PolarHBondContact O-N 3.16Å; L212-F218 HydrophobicContact CD2-CB 4.19Å; L212-F218 HydrophobicContact CD2-CD1 4.42Å; L212-F218 HydrophobicContact CD2-CD2 3.98Å; L212-F218 HydrophobicContact CD2-CG 3.94Å; L212-I296 HydrophobicContact CD1-CG2 4.43Å; L212-Y298 HydrophobicContact CB-CD1 3.6Å; L212-Y298 HydrophobicContact CB-CD2 4.06Å; L212-Y298 HydrophobicContact CB-CE1 3.53Å; L212-Y298 HydrophobicContact CB-CE2 3.99Å; L212-Y298 HydrophobicContact CB-CG 3.87Å; L212-Y298 HydrophobicContact CD1-CD1 4.44Å; L212-Y298 HydrophobicContact CD1-CD2 3.51Å; L212-Y298 HydrophobicContact CD1-CE2 3.89Å; L212-Y298 HydrophobicContact CD1-CG 3.82Å; L212-Y298 HydrophobicContact CD2-CD1 4.4Å; L212-Y298 HydrophobicContact CD2-CG 4.17Å; L212-Y298 HydrophobicContact CG-CD1 4.36Å; L212-Y298 HydrophobicContact CG-CD2 4.28Å; L212-Y298 HydrophobicContact CG-CG 4.18Å
213	C	96.3	Very high	96.7	Very high	69 Å²	69	41.8 Å²	41.8	47%	0.466	23%	0.229	S	C	.	.	H	α-helix	trans	-62.1	-34.5	174.8	-77.6	0	0	0	0	112.7	V209 H215 Y298	V209-C213 VanDerWaalsContact O-CB 3.29Å; V209-C213 WeakPolarHBondContact O-CB 3.27Å; V209-C213 PolarHBondContact O-N 3.25Å; V209-C213 PolarHBondContact O-SG 3.11Å; C213-H215 VanDerWaalsContact C-N 3.28Å; C213-H215 PolarHBondContact O-N 2.99Å; C213-Y298 PolarHBondContact SG-OH 2.7Å
214	A	97.2	Very high	96.7	Very high	84 Å²	84	36.3 Å²	36.3	69%	0.694	20%	0.2	S	C	*	.	T	Hydrogen-bonded Turn	trans	-76.3	-14.5	178.7	0	0	0	0	0	113.6	D210 L212	D210-A214 VanDerWaalsContact O-CB 3.3Å; D210-A214 WeakPolarHBondContact O-CB 3.34Å; D210-A214 PolarHBondContact O-N 2.82Å; L212-A214 VanDerWaalsContact C-N 3.28Å; L212-A214 PolarHBondContact O-N 3.26Å
215	H	97.7	Very high	96.7	Very high	14 Å²	14	36.2 Å²	36.2	7%	0.065	20%	0.199	C	C	.	.	S	Bend	trans	-90	126.5	-174.3	-169.4	-81.1	0	0	0	111.3	L182 D183 C211 L212 C213 L217 F218	L182-H215 VanDerWaalsContact CB-CD2 3.44Å; L182-H215 WeakPolarHBondContact CB-CD2 3.34Å; L182-H215 HydrophobicContact CD1-CB 4.08Å; D183-H215 PolarHBondContact N-NE2 3.06Å; D183-H215 IonicContact OD1-NE2 3.47Å; D183-H215 PolarHBondContact OD1-NE2 3.35Å; C211-H215 PolarHBondContact O-N 3.37Å; L212-H215 PolarHBondContact O-N 3.16Å; C213-H215 VanDerWaalsContact C-N 3.28Å; C213-H215 PolarHBondContact O-N 2.99Å; H215-L217 PolarHBondContact ND1-N 3.35Å; H215-L217 PolarHBondContact O-N 3.11Å; H215-L217 VanDerWaalsContact O-N 3.08Å; H215-F218 HydrophobicContact CB-CD2 4.01Å; H215-F218 AromaticContact CE1-CD2 3.99Å; H215-F218 AromaticContact CE1-CE2 3.91Å; H215-F218 AromaticContact CG-CD2 3.73Å; H215-F218 AromaticContact ND1-CD2 3.3Å; H215-F218 VanDerWaalsContact ND1-CD2 3.3Å; H215-F218 WeakPolarHBondContact ND1-CD2 3.28Å; H215-F218 AromaticContact ND1-CE2 3.7Å; H215-F218 PolarHBondContact O-N 2.95Å
216	P	97	Very high	96.6	Very high	101 Å²	101	36.2 Å²	36.2	66%	0.656	20%	0.199	S	C	*	.	T	Hydrogen-bonded Turn	trans	-67.6	-18	-169.6	26.6	-35.6	0	0	0	114.4	I301	P216-I301 WeakPolarHBondContact O-CD1 3.43Å
217	L	97.8	Very high	96.5	Very high	28 Å²	28	31.7 Å²	31.7	15%	0.147	18%	0.181	C	C	.	.	T	Hydrogen-bonded Turn	trans	-101.4	8.8	-176.8	-56.4	176.2	0	0	0	114.2	A186 H215 R300 I301	A186-L217 HydrophobicContact CB-CB 4.13Å; A186-L217 HydrophobicContact CB-CD1 3.9Å; H215-L217 PolarHBondContact ND1-N 3.35Å; H215-L217 PolarHBondContact O-N 3.11Å; H215-L217 VanDerWaalsContact O-N 3.08Å; L217-R300 WeakPolarHBondContact O-CA 3.39Å; L217-R300 VanDerWaalsContact O-CD 3.3Å; L217-R300 WeakPolarHBondContact O-CD 3.36Å; L217-I301 PolarHBondContact O-N 3.13Å
218	F	98.3	Very high	96.3	Very high	12 Å²	12	30 Å²	30	5%	0.053	18%	0.178	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-124.7	141.8	176.3	-68.7	-69.3	0	0	0	111.2	L182 A186 L189 I195 L212 H215 Y298 E299 R300	L182-F218 HydrophobicContact CB-CE2 4.16Å; L182-F218 HydrophobicContact CD2-CD2 4.24Å; L182-F218 HydrophobicContact CD2-CE2 3.91Å; A186-F218 HydrophobicContact CB-CE2 3.87Å; A186-F218 HydrophobicContact CB-CZ 3.86Å; L189-F218 HydrophobicContact CD1-CE1 3.91Å; L189-F218 HydrophobicContact CD1-CZ 4.26Å; I195-F218 HydrophobicContact CD1-CD1 4.27Å; I195-F218 HydrophobicContact CD1-CE1 3.55Å; I195-F218 HydrophobicContact CD1-CE2 4.25Å; I195-F218 HydrophobicContact CD1-CZ 3.55Å; I195-F218 HydrophobicContact CG1-CE1 4.09Å; I195-F218 HydrophobicContact CG1-CZ 4.49Å; L212-F218 HydrophobicContact CD2-CB 4.19Å; L212-F218 HydrophobicContact CD2-CD1 4.42Å; L212-F218 HydrophobicContact CD2-CD2 3.98Å; L212-F218 HydrophobicContact CD2-CG 3.94Å; H215-F218 HydrophobicContact CB-CD2 4.01Å; H215-F218 AromaticContact CE1-CD2 3.99Å; H215-F218 AromaticContact CE1-CE2 3.91Å; H215-F218 AromaticContact CG-CD2 3.73Å; H215-F218 AromaticContact ND1-CD2 3.3Å; H215-F218 VanDerWaalsContact ND1-CD2 3.3Å; H215-F218 WeakPolarHBondContact ND1-CD2 3.28Å; H215-F218 AromaticContact ND1-CE2 3.7Å; H215-F218 PolarHBondContact O-N 2.95Å; F218-Y298 HydrophobicContact CB-CD1 4.17Å; F218-E299 WeakPolarHBondContact CA-O 3.43Å; F218-R300 HydrophobicContact CD1-CB 4.43Å; F218-R300 HydrophobicContact CE1-CB 4.08Å
219	R	97.2	Very high	95.9	Very high	116 Å²	116	30.6 Å²	30.6	44%	0.438	18%	0.183	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-125.8	144.9	170.7	68	-180	-175.3	100.7	-4.1	110.2	Y298 E299 I301	R219-Y298 CarbonylContact O-C 3.57Å; R219-Y298 VanDerWaalsContact O-CA 3.3Å; R219-Y298 WeakPolarHBondContact O-CA 3.36Å; R219-Y298 WeakPolarHBondContact O-CD1 3.46Å; R219-E299 HydrophobicContact CG-CB 4.18Å; R219-E299 IonicContact CZ-OE1 3.42Å; R219-E299 IonicContact CZ-OE2 2.88Å; R219-E299 PolarHBondContact N-O 2.85Å; R219-E299 IonicContact NE-OE1 3.59Å; R219-E299 PolarHBondContact NE-OE1 3.12Å; R219-E299 IonicContact NH2-OE1 2.58Å; R219-E299 PolarHBondContact NH2-OE1 3.45Å; R219-E299 IonicContact NH2-OE2 2.92Å; R219-E299 PolarHBondContact NH2-OE2 3.06Å; R219-E299 VanDerWaalsContact NH2-OE2 3.07Å; R219-E299 PolarHBondContact O-N 3.15Å; R219-I301 HydrophobicContact CB-CG2 3.94Å; R219-I301 VanDerWaalsContact CD-CG2 3.49Å; R219-I301 HydrophobicContact CG-CG2 3.59Å
220	P	97.3	Very high	94.5	Very high	24 Å²	24	32.9 Å²	32.9	16%	0.156	21%	0.209	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-63.2	143.3	174.8	26.5	-34.9	0	0	0	111.2	H254 Y298	P220-H254 HydrophobicContact CB-CB 4.16Å; P220-H254 WeakPolarHBondContact CG-CE1 3.18Å; P220-H254 WeakPolarHBondContact CG-ND1 3.4Å; P220-Y298 HydrophobicContact CB-CD1 4.29Å; P220-Y298 HydrophobicContact CB-CE1 3.81Å; P220-Y298 HydrophobicContact CB-CE2 4.4Å; P220-Y298 HydrophobicContact CG-CE1 4.36Å
221	V	96.7	Very high	92.5	Very high	37 Å²	37	32.8 Å²	32.8	22%	0.224	23%	0.226	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-107.6	-56.8	170.4	176.1	0	0	0	0	109.2	V297 E299	V221-V297 HydrophobicContact CB-CB 4.19Å; V221-V297 HydrophobicContact CB-CG1 3.98Å; V221-V297 WeakPolarHBondContact CB-O 3.38Å; V221-V297 HydrophobicContact CG1-CG1 4.31Å; V221-V297 HydrophobicContact CG2-CG1 4.33Å; V221-V297 PolarHBondContact N-O 3.14Å; V221-E299 HydrophobicContact CG2-CB 3.59Å
222	C	95.8	Very high	89.8	Confident	1 Å²	1	42 Å²	42	1%	0.007	27%	0.265	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-157.1	150.8	175.1	61.7	0	0	0	0	111.8	V224 H254 I256 L265 V297	C222-V224 HydrophobicContact CB-CG2 4.45Å; C222-H254 WeakPolarHBondContact CA-O 3.35Å; C222-I256 HydrophobicContact CB-CD1 4.21Å; C222-I256 HydrophobicContact CB-CG1 3.79Å; C222-L265 HydrophobicContact CB-CD1 3.89Å; C222-V297 PolarHBondContact N-O 2.84Å; C222-V297 PolarHBondContact O-N 3.31Å
223	H	95.5	Very high	87.1	Confident	0 Å²	0	46.5 Å²	46.5	0%	0	29%	0.288	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-117.2	135.7	162.5	-54.4	152.6	0	0	0	108.4	F249 D252 H254 F255 I256 L295 Y298	H223-F249 HydrophobicContact CB-CB 4.28Å; H223-F249 HydrophobicContact CB-CD2 4.34Å; H223-F249 AromaticContact ND1-CG 3.91Å; H223-D252 IonicContact CE1-OD2 3.58Å; H223-D252 PolarHBondContact CE1-OD2 2.84Å; H223-D252 IonicContact ND1-OD2 2.83Å; H223-H254 PolarHBondContact N-O 3.06Å; H223-F255 HydrophobicContact CB-CD2 4.21Å; H223-F255 WeakPolarHBondContact O-CA 3.47Å; H223-I256 PolarHBondContact O-N 3.46Å; H223-L295 CarbonylContact C-O 3.6Å; H223-L295 WeakPolarHBondContact CA-O 3.3Å; H223-Y298 AromaticContact NE2-CE2 3.41Å; H223-Y298 WeakPolarHBondContact NE2-CE2 3.49Å; H223-Y298 AromaticContact NE2-CZ 3.66Å; H223-Y298 PolarHBondContact NE2-OH 3.41Å
224	V	94.8	Very high	84.1	Confident	2 Å²	2	52.1 Å²	52.1	1%	0.012	31%	0.307	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-137.1	127.1	-176	-167.9	0	0	0	0	109.6	C222 L226 I242 I256 F262 L295	C222-V224 HydrophobicContact CB-CG2 4.45Å; V224-L226 HydrophobicContact CG1-CD2 3.8Å; V224-L226 HydrophobicContact CG1-CG 4.1Å; V224-I242 HydrophobicContact CG1-CD1 3.21Å; V224-I256 HydrophobicContact CG2-CB 4.1Å; V224-I256 HydrophobicContact CG2-CG1 4.04Å; V224-F262 HydrophobicContact CG1-CD2 4.32Å; V224-F262 HydrophobicContact CG1-CE2 4.31Å; V224-F262 HydrophobicContact CG1-CZ 4.49Å; V224-F262 HydrophobicContact CG2-CD2 4.09Å; V224-F262 HydrophobicContact CG2-CE2 4Å; V224-L295 HydrophobicContact CB-CB 4.14Å; V224-L295 HydrophobicContact CB-CD2 4.24Å; V224-L295 HydrophobicContact CB-CG 4.41Å; V224-L295 HydrophobicContact CG2-CD2 4.23Å; V224-L295 HydrophobicContact CG2-CG 4.5Å; V224-L295 PolarHBondContact N-O 3.38Å; V224-L295 PolarHBondContact O-N 2.91Å
225	H	94.7	Very high	81.5	Confident	1 Å²	1	52.1 Å²	52.1	1%	0.005	32%	0.315	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-92.4	122.5	171.9	-163.4	-162	0	0	0	109.9	S243 Y245 D247 F255 E292 F294	H225-S243 WeakPolarHBondContact ND1-CB 3.39Å; H225-S243 WeakPolarHBondContact O-CB 3.43Å; H225-S243 PolarHBondContact O-N 3.48Å; H225-Y245 PolarHBondContact ND1-O 2.93Å; H225-Y245 VanDerWaalsContact ND1-O 3.12Å; H225-D247 HydrophobicContact CB-CB 3.77Å; H225-D247 WeakPolarHBondContact CB-OD2 3.3Å; H225-D247 IonicContact CD2-OD2 3.35Å; H225-D247 PolarHBondContact CD2-OD2 3.37Å; H225-D247 IonicContact CG-OD2 3.08Å; H225-D247 IonicContact ND1-OD2 3.62Å; H225-F255 HydrophobicContact CB-CE2 3.96Å; H225-F255 HydrophobicContact CB-CZ 3.98Å; H225-E292 IonicContact CE1-OE1 3.15Å; H225-E292 PolarHBondContact CE1-OE1 3.22Å; H225-E292 IonicContact CE1-OE2 3.31Å; H225-E292 PolarHBondContact CE1-OE2 2.96Å; H225-E292 VanDerWaalsContact CE1-OE2 3.31Å; H225-E292 IonicContact ND1-OE1 3.96Å; H225-E292 WeakPolarHBondContact NE2-CB 3.45Å; H225-E292 VanDerWaalsContact NE2-CD 3.26Å; H225-E292 IonicContact NE2-OE1 3.41Å; H225-E292 PolarHBondContact NE2-OE1 3.34Å; H225-E292 IonicContact NE2-OE2 3.38Å; H225-E292 PolarHBondContact NE2-OE2 3.09Å; H225-F294 AromaticContact CD2-CD1 3.95Å; H225-F294 AromaticContact CD2-CE1 3.7Å; H225-F294 AromaticContact NE2-CE1 3.69Å; H225-F294 AromaticContact NE2-CZ 3.77Å
226	L	94.5	Very high	79.2	Confident	1 Å²	1	53.8 Å²	53.8	1%	0.005	33%	0.331	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-118.9	132.8	-176	-63.8	174.4	0	0	0	110.9	V224 L240 K241 I242 F262 E292 T293 L295	V224-L226 HydrophobicContact CG1-CD2 3.8Å; V224-L226 HydrophobicContact CG1-CG 4.1Å; L226-L240 HydrophobicContact CB-CB 4.11Å; L226-L240 HydrophobicContact CB-CD1 4.34Å; L226-L240 HydrophobicContact CB-CD2 4.21Å; L226-L240 HydrophobicContact CB-CG 4.46Å; L226-L240 HydrophobicContact CD1-CB 4.27Å; L226-L240 HydrophobicContact CD1-CD1 3.98Å; L226-K241 CarbonylContact C-O 3.52Å; L226-K241 VanDerWaalsContact CA-O 3.28Å; L226-K241 WeakPolarHBondContact CA-O 3.47Å; L226-I242 HydrophobicContact CD2-CD1 4.24Å; L226-F262 HydrophobicContact CD2-CE1 4.18Å; L226-E292 CarbonylContact O-C 3.51Å; L226-E292 WeakPolarHBondContact O-CA 3.43Å; L226-T293 WeakPolarHBondContact CB-O 3.46Å; L226-T293 PolarHBondContact N-O 2.77Å; L226-T293 PolarHBondContact O-N 2.99Å; L226-L295 HydrophobicContact CD1-CB 4.23Å; L226-L295 HydrophobicContact CD1-CD2 4.3Å
227	S	93.4	Very high	77.9	Confident	9 Å²	9	55.8 Å²	55.8	6%	0.063	34%	0.337	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-111.2	155.6	174	65.7	0	0	0	0	110.7	A229 L240 K241	S227-A229 PolarHBondContact O-N 3.35Å; S227-L240 WeakPolarHBondContact O-CA 3.45Å; S227-K241 PolarHBondContact N-O 3.36Å; S227-K241 PolarHBondContact O-N 2.99Å
228	P	92.7	Very high	77.1	Confident	32 Å²	32	58.4 Å²	58.4	21%	0.208	35%	0.348	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-57.8	132.1	172.9	-24.3	35.9	0	0	0	110.8	G230 C287	P228-G230 PolarHBondContact O-N 3.4Å; P228-G230 VanDerWaalsContact O-N 3.14Å; P228-C287 HydrophobicContact CB-CB 4.12Å; P228-C287 HydrophobicContact CG-CB 4.23Å
229	A	88	Confident	76.5	Confident	13 Å²	13	59.9 Å²	59.9	11%	0.107	36%	0.356	C	S	.	.			trans	-60.6	-31.3	-172.6	0	0	0	0	0	113.7	S227 I233 L239 K241	S227-A229 PolarHBondContact O-N 3.35Å; A229-I233 HydrophobicContact CB-CD1 4.16Å; A229-L239 PolarHBondContact N-O 3.39Å; A229-L239 VanDerWaalsContact N-O 3.08Å; A229-K241 HydrophobicContact CB-CD 4.35Å; A229-K241 HydrophobicContact CB-CG 4.45Å; A229-K241 WeakPolarHBondContact O-CE 3.42Å; A229-K241 PolarHBondContact O-NZ 3.32Å
230	G	69.1	Low	76.2	Confident	57 Å²	57	54.4 Å²	54.4	59%	0.588	34%	0.336	S	S	*	.			trans	69.2	132.1	174.7	0	0	0	0	0	114.1	P228	P228-G230 PolarHBondContact O-N 3.4Å; P228-G230 VanDerWaalsContact O-N 3.14Å
231	G	53.9	Low	75.9	Confident	75 Å²	75	57.9 Å²	57.9	77%	0.773	35%	0.349	S	S	*	.	S	Bend	trans	100.7	159.6	173.4	0	0	0	0	0	115.2	I233	G231-I233 PolarHBondContact O-N 3.02Å
232	K	40.2	Very low	75.6	Confident	205 Å²	205	57.6 Å²	57.6	89%	0.891	35%	0.345	S	S	*	.			trans	-66.5	73.8	166.4	-71.8	-179	179.6	177.3	0	108.4	Q234	K232-Q234 PolarHBondContact O-N 2.95Å
233	I	40.5	Very low	75.3	Confident	95 Å²	95	58.2 Å²	58.2	49%	0.487	35%	0.349	S	S	.	.			trans	-75.6	90.2	170.3	-55	177.8	0	0	0	106.2	A229 G231 G235 A236	A229-I233 HydrophobicContact CB-CD1 4.16Å; G231-I233 PolarHBondContact O-N 3.02Å; I233-G235 PolarHBondContact O-N 3.36Å; I233-A236 HydrophobicContact CG2-CB 3.83Å
234	Q	33.3	Very low	74.7	Confident	188 Å²	188	63.5 Å²	63.5	88%	0.879	39%	0.387	S	S	*	.	T	Hydrogen-bonded Turn	trans	-61.7	100.9	160.3	-73.5	177.3	-7.1	0	0	106.7	K232	K232-Q234 PolarHBondContact O-N 2.95Å
235	G	43.7	Very low	73.9	Confident	83 Å²	83	70.4 Å²	70.4	86%	0.856	41%	0.414	S	S	*	.	T	Hydrogen-bonded Turn	trans	120.4	0.3	160.6	0	0	0	0	0	119.1	I233	I233-G235 PolarHBondContact O-N 3.36Å
236	A	48.9	Very low	72.9	Confident	49 Å²	49	75.2 Å²	75.2	41%	0.405	45%	0.445	S	S	.	.			trans	-121.4	124.3	174.4	0	0	0	0	0	111	I233 E238	I233-A236 HydrophobicContact CG2-CB 3.83Å; A236-E238 PolarHBondContact O-N 3.24Å
237	N	70.5	Confident	72.3	Confident	143 Å²	143	75.9 Å²	75.9	77%	0.765	45%	0.448	S	S	*	.			trans	-69.1	10.9	-176.6	-77	-26.2	0	0	0	114.4	Q277	N237-Q277 WeakPolarHBondContact O-CG 3.29Å
238	E	79.7	Confident	71.7	Confident	84 Å²	84	79.6 Å²	79.6	39%	0.393	47%	0.466	S	S	.	.			trans	-96.1	122.4	-170	-67.6	167.1	-173.8	0	0	111.3	A236 E276	A236-E238 PolarHBondContact O-N 3.24Å; E238-E276 HydrophobicContact CG-CG 4.3Å
239	L	86.4	Confident	71.3	Confident	42 Å²	42	78.9 Å²	78.9	22%	0.22	46%	0.46	C	S	.	.	S	Bend	trans	-84.1	-34.2	177.7	-174.8	74.8	0	0	0	111.4	A229 E276 Q277 A283 H284 C287	A229-L239 PolarHBondContact N-O 3.39Å; A229-L239 VanDerWaalsContact N-O 3.08Å; L239-E276 PolarHBondContact N-O 2.97Å; L239-Q277 WeakPolarHBondContact CB-O 3.42Å; L239-A283 HydrophobicContact CD2-CB 4.16Å; L239-H284 HydrophobicContact CD2-CB 4.5Å; L239-C287 HydrophobicContact CD1-CB 4.21Å; L239-C287 HydrophobicContact CD2-CB 4.14Å; L239-C287 VanDerWaalsContact CD2-SG 3.59Å; L239-C287 HydrophobicContact CG-CB 4.1Å
240	L	90.3	Very high	71	Confident	2 Å²	2	82.4 Å²	82.4	1%	0.01	48%	0.475	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-118.2	154.3	-175.9	-69	167.2	0	0	0	109.8	L226 S227 E276 C287 T293	L226-L240 HydrophobicContact CB-CB 4.11Å; L226-L240 HydrophobicContact CB-CD1 4.34Å; L226-L240 HydrophobicContact CB-CD2 4.21Å; L226-L240 HydrophobicContact CB-CG 4.46Å; L226-L240 HydrophobicContact CD1-CB 4.27Å; L226-L240 HydrophobicContact CD1-CD1 3.98Å; S227-L240 WeakPolarHBondContact O-CA 3.45Å; L240-E276 WeakPolarHBondContact CB-O 3.33Å; L240-E276 PolarHBondContact N-O 3.33Å; L240-E276 WeakPolarHBondContact O-CG 3.39Å; L240-C287 WeakPolarHBondContact CD2-SG 3.26Å; L240-T293 HydrophobicContact CD1-CG2 4.4Å
241	K	91.2	Very high	71.6	Confident	97 Å²	97	89.1 Å²	89.1	42%	0.422	49%	0.491	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-138.8	160.6	171.7	66.1	-177.8	178.2	-167	0	109.8	L226 S227 A229 S243	L226-K241 CarbonylContact C-O 3.52Å; L226-K241 VanDerWaalsContact CA-O 3.28Å; L226-K241 WeakPolarHBondContact CA-O 3.47Å; S227-K241 PolarHBondContact N-O 3.36Å; S227-K241 PolarHBondContact O-N 2.99Å; A229-K241 HydrophobicContact CB-CD 4.35Å; A229-K241 HydrophobicContact CB-CG 4.45Å; A229-K241 WeakPolarHBondContact O-CE 3.42Å; A229-K241 PolarHBondContact O-NZ 3.32Å; K241-S243 PolarHBondContact O-N 3.25Å
242	I	91.2	Very high	73.2	Confident	31 Å²	31	87.8 Å²	87.8	16%	0.159	47%	0.466	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-49.3	126.2	171.5	-65.2	-69.2	0	0	0	109.6	V224 L226 F262	V224-I242 HydrophobicContact CG1-CD1 3.21Å; L226-I242 HydrophobicContact CD2-CD1 4.24Å; I242-F262 HydrophobicContact CD1-CB 3.92Å; I242-F262 HydrophobicContact CD1-CD1 3.85Å; I242-F262 HydrophobicContact CD1-CG 3.94Å; I242-F262 HydrophobicContact CG1-CB 4.24Å; I242-F262 HydrophobicContact CG1-CD1 4.12Å; I242-F262 HydrophobicContact CG1-CG 4.47Å
243	S	89.5	Confident	75.4	Confident	13 Å²	13	83.2 Å²	83.2	9%	0.091	46%	0.459	C	S	.	.			trans	-72.8	140.7	179.2	-170.7	0	0	0	0	110.2	H225 K241 Y245 E292	H225-S243 WeakPolarHBondContact ND1-CB 3.39Å; H225-S243 WeakPolarHBondContact O-CB 3.43Å; H225-S243 PolarHBondContact O-N 3.48Å; K241-S243 PolarHBondContact O-N 3.25Å; S243-Y245 VanDerWaalsContact C-N 3.3Å; S243-Y245 WeakPolarHBondContact OG-CB 3.37Å; S243-Y245 WeakPolarHBondContact OG-CD2 3.41Å; S243-Y245 PolarHBondContact OG-N 2.84Å; S243-E292 PolarHBondContact OG-OE1 3.45Å
244	S	81.4	Confident	77.8	Confident	112 Å²	112	81.7 Å²	81.7	78%	0.783	45%	0.45	S	S	*	.	S	Bend	trans	-87.7	-3.6	167	58.1	0	0	0	0	112.5
245	Y	78.6	Confident	80.6	Confident	147 Å²	147	74.1 Å²	74.1	58%	0.576	42%	0.415	S	S	*	.	S	Bend	trans	-85.9	147.6	-179.5	-64.1	-77.9	0	0	0	110.9	H225 S243 D247 E292	H225-Y245 PolarHBondContact ND1-O 2.93Å; H225-Y245 VanDerWaalsContact ND1-O 3.12Å; S243-Y245 VanDerWaalsContact C-N 3.3Å; S243-Y245 WeakPolarHBondContact OG-CB 3.37Å; S243-Y245 WeakPolarHBondContact OG-CD2 3.41Å; S243-Y245 PolarHBondContact OG-N 2.84Å; Y245-D247 PolarHBondContact O-N 2.95Å; Y245-E292 WeakPolarHBondContact CB-OE1 3.3Å; Y245-E292 WeakPolarHBondContact CD2-OE1 3.42Å
246	P	73	Confident	82.9	Confident	102 Å²	102	71.5 Å²	71.5	66%	0.662	38%	0.38	S	S	*	.			trans	-58	137.7	178.2	24.2	-33.7	0	0	0	110.7
247	D	82.9	Confident	84.8	Confident	14 Å²	14	75.3 Å²	75.3	8%	0.075	39%	0.388	C	S	.	.			trans	-108.4	149.4	-179.1	-173.2	-93.8	0	0	0	110.5	H225 Y245 F249 E250 F255 F294	H225-D247 HydrophobicContact CB-CB 3.77Å; H225-D247 WeakPolarHBondContact CB-OD2 3.3Å; H225-D247 IonicContact CD2-OD2 3.35Å; H225-D247 PolarHBondContact CD2-OD2 3.37Å; H225-D247 IonicContact CG-OD2 3.08Å; H225-D247 IonicContact ND1-OD2 3.62Å; Y245-D247 PolarHBondContact O-N 2.95Å; D247-F249 PolarHBondContact O-N 3.3Å; D247-F249 VanDerWaalsContact O-N 3.12Å; D247-F249 VanDerWaalsContact OD1-CA 3.32Å; D247-F249 WeakPolarHBondContact OD1-CA 2.97Å; D247-F249 WeakPolarHBondContact OD1-CB 3.41Å; D247-F249 WeakPolarHBondContact OD1-CD2 3.3Å; D247-F249 WeakPolarHBondContact OD1-CG 3.39Å; D247-F249 PolarHBondContact OD1-N 3.25Å; D247-E250 HydrophobicContact CB-CB 4.4Å; D247-E250 WeakPolarHBondContact O-CB 3.47Å; D247-E250 PolarHBondContact O-N 2.86Å; D247-E250 VanDerWaalsContact O-N 3.13Å; D247-F255 HydrophobicContact CB-CD2 4.42Å; D247-F255 HydrophobicContact CB-CE2 3.47Å; D247-F255 VanDerWaalsContact CB-CE2 3.47Å; D247-F255 HydrophobicContact CB-CZ 3.55Å; D247-F255 VanDerWaalsContact CG-CE2 3.43Å; D247-F255 WeakPolarHBondContact OD1-CE2 3.38Å; D247-F294 WeakPolarHBondContact OD2-CD1 3.43Å; D247-F294 WeakPolarHBondContact OD2-CE1 3.12Å
248	I	81.4	Confident	85.7	Confident	87 Å²	87	71.6 Å²	71.6	45%	0.446	37%	0.368	S	S	.	.	T	Hydrogen-bonded Turn	trans	-64.9	-14	177.6	56.9	168.6	0	0	0	113.4	P202 K206 F294	P202-I248 HydrophobicContact CB-CD1 4.26Å; P202-I248 HydrophobicContact CB-CG2 4.3Å; P202-I248 VanDerWaalsContact O-CD1 3.27Å; P202-I248 WeakPolarHBondContact O-CD1 3.49Å; K206-I248 HydrophobicContact CB-CD1 4.07Å; I248-F294 HydrophobicContact CD1-CE1 4.44Å; I248-F294 HydrophobicContact CG1-CD1 4.23Å; I248-F294 HydrophobicContact CG1-CE1 4.01Å
249	F	84	Confident	86.2	Confident	18 Å²	18	71.2 Å²	71.2	8%	0.079	37%	0.374	C	S	.	.	T	Hydrogen-bonded Turn	trans	-112.6	12.3	178.1	-46.3	-63.9	0	0	0	112.7	V209 H223 D247 E251 D252 F255 F294 I296	V209-F249 HydrophobicContact CB-CD1 4.43Å; V209-F249 HydrophobicContact CB-CE1 3.62Å; V209-F249 HydrophobicContact CB-CZ 3.98Å; V209-F249 HydrophobicContact CG1-CD1 4.24Å; V209-F249 HydrophobicContact CG1-CE1 3.84Å; V209-F249 HydrophobicContact CG2-CD1 4.11Å; V209-F249 HydrophobicContact CG2-CE1 3.42Å; V209-F249 VanDerWaalsContact CG2-CE1 3.42Å; V209-F249 HydrophobicContact CG2-CE2 4.1Å; V209-F249 HydrophobicContact CG2-CZ 3.4Å; H223-F249 HydrophobicContact CB-CB 4.28Å; H223-F249 HydrophobicContact CB-CD2 4.34Å; H223-F249 AromaticContact ND1-CG 3.91Å; D247-F249 PolarHBondContact O-N 3.3Å; D247-F249 VanDerWaalsContact O-N 3.12Å; D247-F249 VanDerWaalsContact OD1-CA 3.32Å; D247-F249 WeakPolarHBondContact OD1-CA 2.97Å; D247-F249 WeakPolarHBondContact OD1-CB 3.41Å; D247-F249 WeakPolarHBondContact OD1-CD2 3.3Å; D247-F249 WeakPolarHBondContact OD1-CG 3.39Å; D247-F249 PolarHBondContact OD1-N 3.25Å; F249-E251 PolarHBondContact O-N 3.41Å; F249-D252 HydrophobicContact CB-CB 4.22Å; F249-D252 VanDerWaalsContact O-CB 3.26Å; F249-D252 WeakPolarHBondContact O-CB 3.19Å; F249-D252 PolarHBondContact O-N 3.35Å; F249-F255 HydrophobicContact CB-CD2 4.2Å; F249-F255 VanDerWaalsContact O-CB 3.28Å; F249-F255 WeakPolarHBondContact O-CB 3.32Å; F249-F294 HydrophobicContact CE2-CD1 4.28Å; F249-I296 HydrophobicContact CE2-CD1 4.24Å; F249-I296 HydrophobicContact CE2-CG1 4.36Å; F249-I296 HydrophobicContact CZ-CD1 4.38Å
250	E	80.3	Confident	86.5	Confident	87 Å²	87	76.2 Å²	76.2	41%	0.407	40%	0.397	S	S	.	.	T	Hydrogen-bonded Turn	trans	-58.4	-24.1	-174.8	-172.6	175.2	-179.9	0	0	114.1	D247 F255 K257	D247-E250 HydrophobicContact CB-CB 4.4Å; D247-E250 WeakPolarHBondContact O-CB 3.47Å; D247-E250 PolarHBondContact O-N 2.86Å; D247-E250 VanDerWaalsContact O-N 3.13Å; E250-F255 HydrophobicContact CB-CE1 4.4Å; E250-F255 HydrophobicContact CG-CD1 4.4Å; E250-F255 HydrophobicContact CG-CE1 4.2Å; E250-K257 WeakPolarHBondContact O-CE 3.38Å; E250-K257 PolarHBondContact O-NZ 3.12Å
251	E	83	Confident	86.6	Confident	198 Å²	198	78.3 Å²	78.3	93%	0.925	41%	0.412	S	S	*	.	T	Hydrogen-bonded Turn	trans	-88.1	-10.6	175.3	-61	-174.9	169.6	0	0	113.8	F249	F249-E251 PolarHBondContact O-N 3.41Å
252	D	86.2	Confident	86.7	Confident	46 Å²	46	73.7 Å²	73.7	25%	0.246	39%	0.392	C	S	.	.	S	Bend	trans	-69.3	136.5	176.4	-165	-62.4	0	0	0	110.3	H223 F249 H254 F255	H223-D252 IonicContact CE1-OD2 3.58Å; H223-D252 PolarHBondContact CE1-OD2 2.84Å; H223-D252 IonicContact ND1-OD2 2.83Å; F249-D252 HydrophobicContact CB-CB 4.22Å; F249-D252 VanDerWaalsContact O-CB 3.26Å; F249-D252 WeakPolarHBondContact O-CB 3.19Å; F249-D252 PolarHBondContact O-N 3.35Å; D252-H254 PolarHBondContact O-N 2.78Å; D252-H254 VanDerWaalsContact O-N 3.12Å; D252-H254 WeakPolarHBondContact OD1-CB 3.24Å; D252-H254 IonicContact OD1-CG 3.62Å; D252-H254 PolarHBondContact OD1-N 3.13Å; D252-H254 IonicContact OD1-ND1 3Å; D252-H254 PolarHBondContact OD1-ND1 2.9Å; D252-F255 VanDerWaalsContact O-CB 3.31Å; D252-F255 WeakPolarHBondContact O-CB 3.44Å; D252-F255 PolarHBondContact O-N 3.36Å; D252-F255 VanDerWaalsContact O-N 3.09Å
253	S	87.9	Confident	86.8	Confident	109 Å²	109	76.1 Å²	76.1	76%	0.762	40%	0.402	S	S	*	.	T	Hydrogen-bonded Turn	trans	-64.1	-16.5	179.8	59.1	0	0	0	0	114
254	H	91.3	Very high	87	Confident	64 Å²	64	80.3 Å²	80.3	30%	0.296	42%	0.422	S	S	.	.	T	Hydrogen-bonded Turn	trans	-99.5	5.6	178.9	-53.1	82.1	0	0	0	112.6	P220 C222 H223 D252	P220-H254 HydrophobicContact CB-CB 4.16Å; P220-H254 WeakPolarHBondContact CG-CE1 3.18Å; P220-H254 WeakPolarHBondContact CG-ND1 3.4Å; C222-H254 WeakPolarHBondContact CA-O 3.35Å; H223-H254 PolarHBondContact N-O 3.06Å; D252-H254 PolarHBondContact O-N 2.78Å; D252-H254 VanDerWaalsContact O-N 3.12Å; D252-H254 WeakPolarHBondContact OD1-CB 3.24Å; D252-H254 IonicContact OD1-CG 3.62Å; D252-H254 PolarHBondContact OD1-N 3.13Å; D252-H254 IonicContact OD1-ND1 3Å; D252-H254 PolarHBondContact OD1-ND1 2.9Å
255	F	91.9	Very high	87.6	Confident	29 Å²	29	76.7 Å²	76.7	13%	0.127	39%	0.394	C	S	.	.	B	Isolated β-bridge	trans	-74.6	129	177	-175.1	-103.4	0	0	0	111.6	H223 H225 D247 F249 E250 D252 K257	H223-F255 HydrophobicContact CB-CD2 4.21Å; H223-F255 WeakPolarHBondContact O-CA 3.47Å; H225-F255 HydrophobicContact CB-CE2 3.96Å; H225-F255 HydrophobicContact CB-CZ 3.98Å; D247-F255 HydrophobicContact CB-CD2 4.42Å; D247-F255 HydrophobicContact CB-CE2 3.47Å; D247-F255 VanDerWaalsContact CB-CE2 3.47Å; D247-F255 HydrophobicContact CB-CZ 3.55Å; D247-F255 VanDerWaalsContact CG-CE2 3.43Å; D247-F255 WeakPolarHBondContact OD1-CE2 3.38Å; F249-F255 HydrophobicContact CB-CD2 4.2Å; F249-F255 VanDerWaalsContact O-CB 3.28Å; F249-F255 WeakPolarHBondContact O-CB 3.32Å; E250-F255 HydrophobicContact CB-CE1 4.4Å; E250-F255 HydrophobicContact CG-CD1 4.4Å; E250-F255 HydrophobicContact CG-CE1 4.2Å; D252-F255 VanDerWaalsContact O-CB 3.31Å; D252-F255 WeakPolarHBondContact O-CB 3.44Å; D252-F255 PolarHBondContact O-N 3.36Å; D252-F255 VanDerWaalsContact O-N 3.09Å; F255-K257 HydrophobicContact CD1-CD 4.4Å; F255-K257 HydrophobicContact CD1-CG 3.51Å; F255-K257 HydrophobicContact CE1-CG 3.76Å
256	I	92	Very high	88.4	Confident	27 Å²	27	70.3 Å²	70.3	14%	0.138	37%	0.369	C	S	.	.			trans	-95.7	111.2	-179.3	-52.2	-58.7	0	0	0	109.3	C222 H223 V224 F262 L265	C222-I256 HydrophobicContact CB-CD1 4.21Å; C222-I256 HydrophobicContact CB-CG1 3.79Å; H223-I256 PolarHBondContact O-N 3.46Å; V224-I256 HydrophobicContact CG2-CB 4.1Å; V224-I256 HydrophobicContact CG2-CG1 4.04Å; I256-F262 HydrophobicContact CG2-CB 3.88Å; I256-L265 HydrophobicContact CD1-CD1 3.56Å; I256-L265 HydrophobicContact CG1-CD1 3.6Å
257	K	87.1	Confident	89.4	Confident	130 Å²	130	72 Å²	72	57%	0.565	37%	0.369	S	S	*	.			trans	-88.9	-24.4	-170.1	-66.5	-176.1	179.1	-167.4	0	114.1	E250 F255	E250-K257 WeakPolarHBondContact O-CE 3.38Å; E250-K257 PolarHBondContact O-NZ 3.12Å; F255-K257 HydrophobicContact CD1-CD 4.4Å; F255-K257 HydrophobicContact CD1-CG 3.51Å; F255-K257 HydrophobicContact CE1-CG 3.76Å
258	D	89.8	Confident	89.9	Confident	65 Å²	65	75 Å²	75	35%	0.348	39%	0.391	S	S	.	.	S	Bend	trans	-134.6	159.2	-169	70.2	83	0	0	0	112.5	E260 S261 F262	D258-E260 VanDerWaalsContact C-N 3.32Å; D258-E260 PolarHBondContact O-N 3.33Å; D258-E260 WeakPolarHBondContact OD1-CA 3.48Å; D258-E260 WeakPolarHBondContact OD1-CB 3.44Å; D258-E260 PolarHBondContact OD1-N 3.42Å; D258-S261 WeakPolarHBondContact OD1-CB 3.44Å; D258-S261 PolarHBondContact OD1-N 3.39Å; D258-S261 PolarHBondContact OD1-OG 3.32Å; D258-S261 WeakPolarHBondContact OD2-CB 3.37Å; D258-S261 PolarHBondContact OD2-OG 2.88Å; D258-F262 PolarHBondContact O-N 2.81Å
259	S	90.1	Very high	90.5	Very high	75 Å²	75	71 Å²	71	52%	0.524	37%	0.37	S	S	.	.	H	α-helix	trans	-70.9	-24.7	-176	-167.2	0	0	0	0	113.5	Q263	S259-Q263 VanDerWaalsContact O-CB 3.3Å; S259-Q263 WeakPolarHBondContact O-CB 3.41Å; S259-Q263 PolarHBondContact O-N 3.24Å
260	E	92.4	Very high	91	Very high	148 Å²	148	71 Å²	71	69%	0.692	37%	0.372	S	S	*	.	H	α-helix	trans	-73.3	-49.1	-179.6	-177.7	177.6	-173.4	0	0	109.8	D258 F262 Q263 I264	D258-E260 VanDerWaalsContact C-N 3.32Å; D258-E260 PolarHBondContact O-N 3.33Å; D258-E260 WeakPolarHBondContact OD1-CA 3.48Å; D258-E260 WeakPolarHBondContact OD1-CB 3.44Å; D258-E260 PolarHBondContact OD1-N 3.42Å; E260-F262 VanDerWaalsContact C-N 3.28Å; E260-F262 PolarHBondContact O-N 3.26Å; E260-Q263 WeakPolarHBondContact O-CB 3.46Å; E260-Q263 PolarHBondContact O-N 3.26Å; E260-Q263 VanDerWaalsContact O-N 3.09Å; E260-I264 HydrophobicContact CG-CD1 4.5Å; E260-I264 WeakPolarHBondContact O-CG1 3.37Å; E260-I264 PolarHBondContact O-N 3.07Å
261	S	92.5	Very high	91.8	Very high	46 Å²	46	66.8 Å²	66.8	32%	0.322	35%	0.352	S	S	.	.	H	α-helix	trans	-56.6	-41.8	172.7	-63.6	0	0	0	0	111.8	D258 L265	D258-S261 WeakPolarHBondContact OD1-CB 3.44Å; D258-S261 PolarHBondContact OD1-N 3.39Å; D258-S261 PolarHBondContact OD1-OG 3.32Å; D258-S261 WeakPolarHBondContact OD2-CB 3.37Å; D258-S261 PolarHBondContact OD2-OG 2.88Å; S261-L265 PolarHBondContact O-N 2.58Å
262	F	94	Very high	92.4	Very high	0 Å²	0	57.5 Å²	57.5	0%	0	31%	0.309	C	S	.	.	H	α-helix	trans	-69.1	-36.6	176.6	-170.3	-137.1	0	0	0	112.6	V224 L226 I242 I256 D258 E260 L265 K266 L272 E276 L295	V224-F262 HydrophobicContact CG1-CD2 4.32Å; V224-F262 HydrophobicContact CG1-CE2 4.31Å; V224-F262 HydrophobicContact CG1-CZ 4.49Å; V224-F262 HydrophobicContact CG2-CD2 4.09Å; V224-F262 HydrophobicContact CG2-CE2 4Å; L226-F262 HydrophobicContact CD2-CE1 4.18Å; I242-F262 HydrophobicContact CD1-CB 3.92Å; I242-F262 HydrophobicContact CD1-CD1 3.85Å; I242-F262 HydrophobicContact CD1-CG 3.94Å; I242-F262 HydrophobicContact CG1-CB 4.24Å; I242-F262 HydrophobicContact CG1-CD1 4.12Å; I242-F262 HydrophobicContact CG1-CG 4.47Å; I256-F262 HydrophobicContact CG2-CB 3.88Å; D258-F262 PolarHBondContact O-N 2.81Å; E260-F262 VanDerWaalsContact C-N 3.28Å; E260-F262 PolarHBondContact O-N 3.26Å; F262-L265 PolarHBondContact O-N 2.91Å; F262-K266 HydrophobicContact CD1-CD 4.24Å; F262-K266 HydrophobicContact CE1-CD 3.98Å; F262-K266 HydrophobicContact CE1-CG 4.49Å; F262-K266 HydrophobicContact CE2-CG 4.3Å; F262-K266 HydrophobicContact CZ-CD 4.19Å; F262-K266 HydrophobicContact CZ-CG 4.28Å; F262-K266 WeakPolarHBondContact O-CG 3.28Å; F262-K266 PolarHBondContact O-N 2.96Å; F262-L272 HydrophobicContact CE2-CB 4.05Å; F262-L272 HydrophobicContact CE2-CD1 4.26Å; F262-L272 HydrophobicContact CZ-CB 4.3Å; F262-E276 HydrophobicContact CE1-CB 4.2Å; F262-E276 HydrophobicContact CE1-CG 4.17Å; F262-E276 VanDerWaalsContact CE1-OE1 3.28Å; F262-E276 WeakPolarHBondContact CE1-OE1 3.42Å; F262-E276 HydrophobicContact CZ-CB 4.45Å; F262-L295 HydrophobicContact CE2-CD2 4.25Å; F262-L295 HydrophobicContact CZ-CD2 4.21Å
263	Q	93.6	Very high	92.8	Very high	81 Å²	81	60.3 Å²	60.3	38%	0.379	32%	0.319	S	S	.	.	H	α-helix	trans	-62.1	-44.1	175.3	-175.2	59.7	33.1	0	0	111.9	S259 E260 L265 K266 E267	S259-Q263 VanDerWaalsContact O-CB 3.3Å; S259-Q263 WeakPolarHBondContact O-CB 3.41Å; S259-Q263 PolarHBondContact O-N 3.24Å; E260-Q263 WeakPolarHBondContact O-CB 3.46Å; E260-Q263 PolarHBondContact O-N 3.26Å; E260-Q263 VanDerWaalsContact O-N 3.09Å; Q263-L265 VanDerWaalsContact C-N 3.31Å; Q263-L265 PolarHBondContact O-N 3.34Å; Q263-K266 WeakPolarHBondContact O-CB 3.38Å; Q263-K266 PolarHBondContact O-N 3.15Å; Q263-K266 VanDerWaalsContact O-N 3.14Å; Q263-E267 PolarHBondContact O-N 2.94Å; Q263-E267 VanDerWaalsContact O-N 3.12Å
264	I	94.2	Very high	93.1	Very high	101 Å²	101	55.6 Å²	55.6	52%	0.518	29%	0.285	S	S	.	.	H	α-helix	trans	-59.2	-42.8	175.1	-65.6	165.3	0	0	0	110.8	E260 K266 E267 S268	E260-I264 HydrophobicContact CG-CD1 4.5Å; E260-I264 WeakPolarHBondContact O-CG1 3.37Å; E260-I264 PolarHBondContact O-N 3.07Å; I264-K266 PolarHBondContact O-N 2.78Å; I264-E267 PolarHBondContact O-N 3.15Å; I264-S268 PolarHBondContact O-N 3.42Å
265	L	93.9	Very high	93.3	Very high	37 Å²	37	53 Å²	53	19%	0.194	27%	0.273	C	S	.	.	H	α-helix	trans	-63	-41.8	175.7	-73	173.5	0	0	0	112.3	C222 I256 S261 F262 Q263 E267 S268 D269 L272	C222-L265 HydrophobicContact CB-CD1 3.89Å; I256-L265 HydrophobicContact CD1-CD1 3.56Å; I256-L265 HydrophobicContact CG1-CD1 3.6Å; S261-L265 PolarHBondContact O-N 2.58Å; F262-L265 PolarHBondContact O-N 2.91Å; Q263-L265 VanDerWaalsContact C-N 3.31Å; Q263-L265 PolarHBondContact O-N 3.34Å; L265-E267 VanDerWaalsContact C-N 3.27Å; L265-E267 PolarHBondContact O-N 3.23Å; L265-S268 PolarHBondContact O-N 2.99Å; L265-S268 VanDerWaalsContact O-N 3.13Å; L265-S268 PolarHBondContact O-OG 3.26Å; L265-D269 PolarHBondContact O-N 3.26Å; L265-L272 HydrophobicContact CB-CD1 3.73Å
266	K	94.6	Very high	93.4	Very high	12 Å²	12	51.8 Å²	51.8	5%	0.052	27%	0.268	C	S	.	.	H	α-helix	trans	-61.5	-33	177.8	-73.7	-177	-60.7	-177.3	0	112.7	F262 Q263 I264 D269 L272 K273 E276	F262-K266 HydrophobicContact CD1-CD 4.24Å; F262-K266 HydrophobicContact CE1-CD 3.98Å; F262-K266 HydrophobicContact CE1-CG 4.49Å; F262-K266 HydrophobicContact CE2-CG 4.3Å; F262-K266 HydrophobicContact CZ-CD 4.19Å; F262-K266 HydrophobicContact CZ-CG 4.28Å; F262-K266 WeakPolarHBondContact O-CG 3.28Å; F262-K266 PolarHBondContact O-N 2.96Å; Q263-K266 WeakPolarHBondContact O-CB 3.38Å; Q263-K266 PolarHBondContact O-N 3.15Å; Q263-K266 VanDerWaalsContact O-N 3.14Å; I264-K266 PolarHBondContact O-N 2.78Å; K266-D269 CarbonylContact O-C 3.45Å; K266-D269 VanDerWaalsContact O-C 3.3Å; K266-D269 PolarHBondContact O-N 3.06Å; K266-L272 HydrophobicContact CG-CB 3.76Å; K266-K273 HydrophobicContact CD-CB 4.19Å; K266-K273 HydrophobicContact CG-CB 4.43Å; K266-E276 VanDerWaalsContact CD-OE2 3.23Å; K266-E276 WeakPolarHBondContact CD-OE2 3.38Å; K266-E276 WeakPolarHBondContact CE-OE2 3.35Å; K266-E276 IonicContact NZ-OE1 2.62Å; K266-E276 PolarHBondContact NZ-OE1 3.04Å; K266-E276 IonicContact NZ-OE2 3.78Å; K266-E276 PolarHBondContact NZ-OE2 3.19Å
267	E	93.7	Very high	93.5	Very high	139 Å²	139	52.8 Å²	52.8	65%	0.65	27%	0.272	S	S	*	.	H	α-helix	trans	-65.3	-39.8	174.6	-69.4	171.8	-172.9	0	0	111.7	Q263 I264 L265	Q263-E267 PolarHBondContact O-N 2.94Å; Q263-E267 VanDerWaalsContact O-N 3.12Å; I264-E267 PolarHBondContact O-N 3.15Å; L265-E267 VanDerWaalsContact C-N 3.27Å; L265-E267 PolarHBondContact O-N 3.23Å
268	S	93.2	Very high	93.7	Very high	77 Å²	77	46.7 Å²	46.7	54%	0.538	25%	0.246	S	C	.	.	H	α-helix	trans	-77.9	-26	176.9	74.8	0	0	0	0	113.9	I264 L265	I264-S268 PolarHBondContact O-N 3.42Å; L265-S268 PolarHBondContact O-N 2.99Å; L265-S268 VanDerWaalsContact O-N 3.13Å; L265-S268 PolarHBondContact O-OG 3.26Å
269	D	95.3	Very high	93.8	Very high	3 Å²	3	44.1 Å²	44.1	2%	0.016	23%	0.233	C	C	.	.			trans	-141.6	87.4	-176.1	-162.2	-10.4	0	0	0	111.4	K157 K194 Y196 L265 K266 V271 L272	K157-D269 IonicContact NZ-OD1 3.06Å; K157-D269 PolarHBondContact NZ-OD1 3.23Å; K157-D269 IonicContact NZ-OD2 3.01Å; K194-D269 WeakPolarHBondContact CD-OD2 3.27Å; K194-D269 IonicContact NZ-OD2 3.95Å; K194-D269 PolarHBondContact NZ-OD2 3.39Å; Y196-D269 WeakPolarHBondContact CE1-OD2 3.43Å; Y196-D269 PolarHBondContact OH-OD1 3.15Å; Y196-D269 VanDerWaalsContact OH-OD1 3.04Å; Y196-D269 PolarHBondContact OH-OD2 3.24Å; L265-D269 PolarHBondContact O-N 3.26Å; K266-D269 CarbonylContact O-C 3.45Å; K266-D269 VanDerWaalsContact O-C 3.3Å; K266-D269 PolarHBondContact O-N 3.06Å; D269-V271 PolarHBondContact O-N 2.84Å; D269-V271 WeakPolarHBondContact OD1-CB 3.49Å; D269-L272 HydrophobicContact CB-CD1 4.14Å; D269-L272 HydrophobicContact CB-CG 4.15Å; D269-L272 WeakPolarHBondContact O-CB 3.38Å; D269-L272 WeakPolarHBondContact O-CG 3.33Å; D269-L272 PolarHBondContact O-N 3.09Å
270	P	94.2	Very high	93.9	Very high	16 Å²	16	41.4 Å²	41.4	10%	0.104	21%	0.213	C	C	.	.	T	Hydrogen-bonded Turn	trans	-60.8	-13.9	-175.7	-25.8	34	0	0	0	115.2	V7 L272 K273 L274	V7-P270 HydrophobicContact CG2-CB 3.55Å; V7-P270 HydrophobicContact CG2-CG 3.6Å; P270-L272 PolarHBondContact O-N 2.86Å; P270-K273 WeakPolarHBondContact O-CB 3.47Å; P270-K273 PolarHBondContact O-N 2.97Å; P270-L274 PolarHBondContact O-N 2.86Å
271	V	96.3	Very high	93.8	Very high	0 Å²	0	36.6 Å²	36.6	0%	0	19%	0.191	C	C	.	.	H	α-helix	trans	-57.4	-39.2	170	166.5	0	0	0	0	111.4	Y99 K157 F159 Y196 D269 K273 L274 L275	Y99-V271 HydrophobicContact CE2-CG2 4.32Å; Y99-V271 WeakPolarHBondContact OH-CG2 3.23Å; Y99-V271 PolarHBondContact OH-N 3.49Å; K157-V271 HydrophobicContact CD-CG2 3.72Å; F159-V271 HydrophobicContact CD1-CG1 4.43Å; F159-V271 HydrophobicContact CE1-CG1 3.62Å; F159-V271 HydrophobicContact CE1-CG2 4.15Å; F159-V271 HydrophobicContact CZ-CG2 4.27Å; Y196-V271 HydrophobicContact CD1-CB 4.48Å; Y196-V271 HydrophobicContact CD1-CG1 3.57Å; Y196-V271 HydrophobicContact CD2-CG1 4.32Å; Y196-V271 HydrophobicContact CE1-CB 3.97Å; Y196-V271 HydrophobicContact CE1-CG1 3.54Å; Y196-V271 HydrophobicContact CE2-CG1 4.31Å; Y196-V271 HydrophobicContact CG-CG1 3.98Å; D269-V271 PolarHBondContact O-N 2.84Å; D269-V271 WeakPolarHBondContact OD1-CB 3.49Å; V271-K273 PolarHBondContact O-N 3.01Å; V271-L274 WeakPolarHBondContact O-CB 3.44Å; V271-L274 PolarHBondContact O-N 3.34Å; V271-L275 HydrophobicContact CG1-CD1 3.89Å; V271-L275 HydrophobicContact CG1-CG 4.16Å; V271-L275 WeakPolarHBondContact O-CG 3.42Å; V271-L275 PolarHBondContact O-N 2.84Å
272	L	96.4	Very high	93.9	Very high	3 Å²	3	37.4 Å²	37.4	2%	0.016	19%	0.189	C	C	.	.	H	α-helix	trans	-61.4	-36	-178.1	-59.1	-179.9	0	0	0	111.1	Y196 F262 L265 K266 D269 P270 L275 E276 L295 V297	Y196-L272 HydrophobicContact CD1-CD2 4.28Å; Y196-L272 HydrophobicContact CE1-CD2 4.15Å; F262-L272 HydrophobicContact CE2-CB 4.05Å; F262-L272 HydrophobicContact CE2-CD1 4.26Å; F262-L272 HydrophobicContact CZ-CB 4.3Å; L265-L272 HydrophobicContact CB-CD1 3.73Å; K266-L272 HydrophobicContact CG-CB 3.76Å; D269-L272 HydrophobicContact CB-CD1 4.14Å; D269-L272 HydrophobicContact CB-CG 4.15Å; D269-L272 WeakPolarHBondContact O-CB 3.38Å; D269-L272 WeakPolarHBondContact O-CG 3.33Å; D269-L272 PolarHBondContact O-N 3.09Å; P270-L272 PolarHBondContact O-N 2.86Å; L272-L275 PolarHBondContact O-N 2.66Å; L272-E276 WeakPolarHBondContact O-CB 3.43Å; L272-E276 PolarHBondContact O-N 2.97Å; L272-L295 HydrophobicContact CD2-CD2 4.08Å; L272-V297 HydrophobicContact CD2-CG2 3.87Å
273	K	94.4	Very high	93.9	Very high	105 Å²	105	37.5 Å²	37.5	46%	0.457	19%	0.19	S	C	.	.	H	α-helix	trans	-63.4	-43.9	172.3	-173.1	179	-178.3	178.4	0	111.6	K266 P270 V271 L275 E276 Q277	K266-K273 HydrophobicContact CD-CB 4.19Å; K266-K273 HydrophobicContact CG-CB 4.43Å; P270-K273 WeakPolarHBondContact O-CB 3.47Å; P270-K273 PolarHBondContact O-N 2.97Å; V271-K273 PolarHBondContact O-N 3.01Å; K273-L275 VanDerWaalsContact C-N 3.3Å; K273-L275 PolarHBondContact O-N 2.79Å; K273-E276 PolarHBondContact O-N 2.95Å; K273-Q277 WeakPolarHBondContact O-CB 3.39Å; K273-Q277 WeakPolarHBondContact O-CG 3.31Å; K273-Q277 PolarHBondContact O-N 2.86Å
274	L	94.2	Very high	93.8	Very high	9 Å²	9	37.5 Å²	37.5	5%	0.047	19%	0.19	C	C	.	.	H	α-helix	trans	-61.6	-38.6	176.4	-65.2	178.3	0	0	0	112.4	N94 L95 Y99 P270 V271 G278 C279	N94-L274 HydrophobicContact CB-CD2 4.32Å; L95-L274 HydrophobicContact CD2-CD1 4.07Å; Y99-L274 HydrophobicContact CE2-CD1 4.08Å; P270-L274 PolarHBondContact O-N 2.86Å; V271-L274 WeakPolarHBondContact O-CB 3.44Å; V271-L274 PolarHBondContact O-N 3.34Å; L274-G278 PolarHBondContact O-N 3.46Å; L274-C279 VanDerWaalsContact O-CB 3.27Å; L274-C279 WeakPolarHBondContact O-CB 3.27Å; L274-C279 PolarHBondContact O-N 3.14Å; L274-C279 PolarHBondContact O-SG 3.49Å
275	L	95.8	Very high	93.7	Very high	10 Å²	10	36.6 Å²	36.6	5%	0.052	18%	0.182	C	C	.	.	H	α-helix	trans	-70.2	-41.2	178.7	-63	176.5	0	0	0	111.6	L161 Y196 T198 V271 L272 K273 Q277 G278 L295	L161-L275 HydrophobicContact CD1-CD2 3.68Å; L161-L275 HydrophobicContact CD2-CD2 3.69Å; L161-L275 HydrophobicContact CG-CD2 4.37Å; Y196-L275 HydrophobicContact CD1-CD1 4.2Å; T198-L275 HydrophobicContact CG2-CD1 4.4Å; T198-L275 HydrophobicContact CG2-CD2 4.41Å; V271-L275 HydrophobicContact CG1-CD1 3.89Å; V271-L275 HydrophobicContact CG1-CG 4.16Å; V271-L275 WeakPolarHBondContact O-CG 3.42Å; V271-L275 PolarHBondContact O-N 2.84Å; L272-L275 PolarHBondContact O-N 2.66Å; K273-L275 VanDerWaalsContact C-N 3.3Å; K273-L275 PolarHBondContact O-N 2.79Å; L275-Q277 VanDerWaalsContact C-N 3.34Å; L275-G278 PolarHBondContact O-N 2.94Å; L275-L295 HydrophobicContact CD1-CD1 3.55Å
276	E	94.5	Very high	93.6	Very high	3 Å²	3	34.8 Å²	34.8	1%	0.014	17%	0.173	C	C	.	.	H	α-helix	trans	-62.5	-38.2	173.6	-178.9	-173.2	-123.4	0	0	112.5	E238 L239 L240 F262 K266 L272 K273 G278	E238-E276 HydrophobicContact CG-CG 4.3Å; L239-E276 PolarHBondContact N-O 2.97Å; L240-E276 WeakPolarHBondContact CB-O 3.33Å; L240-E276 PolarHBondContact N-O 3.33Å; L240-E276 WeakPolarHBondContact O-CG 3.39Å; F262-E276 HydrophobicContact CE1-CB 4.2Å; F262-E276 HydrophobicContact CE1-CG 4.17Å; F262-E276 VanDerWaalsContact CE1-OE1 3.28Å; F262-E276 WeakPolarHBondContact CE1-OE1 3.42Å; F262-E276 HydrophobicContact CZ-CB 4.45Å; K266-E276 VanDerWaalsContact CD-OE2 3.23Å; K266-E276 WeakPolarHBondContact CD-OE2 3.38Å; K266-E276 WeakPolarHBondContact CE-OE2 3.35Å; K266-E276 IonicContact NZ-OE1 2.62Å; K266-E276 PolarHBondContact NZ-OE1 3.04Å; K266-E276 IonicContact NZ-OE2 3.78Å; K266-E276 PolarHBondContact NZ-OE2 3.19Å; L272-E276 WeakPolarHBondContact O-CB 3.43Å; L272-E276 PolarHBondContact O-N 2.97Å; K273-E276 PolarHBondContact O-N 2.95Å; E276-G278 PolarHBondContact O-N 3.18Å; E276-G278 VanDerWaalsContact O-N 3.15Å
277	Q	93.2	Very high	93.5	Very high	49 Å²	49	35.1 Å²	35.1	23%	0.229	18%	0.177	C	C	.	.	T	Hydrogen-bonded Turn	trans	-68.9	-7.1	174	-69.1	176.2	-18.8	0	0	113.4	N237 L239 K273 L275	N237-Q277 WeakPolarHBondContact O-CG 3.29Å; L239-Q277 WeakPolarHBondContact CB-O 3.42Å; K273-Q277 WeakPolarHBondContact O-CB 3.39Å; K273-Q277 WeakPolarHBondContact O-CG 3.31Å; K273-Q277 PolarHBondContact O-N 2.86Å; L275-Q277 VanDerWaalsContact C-N 3.34Å
278	G	91.3	Very high	93.4	Very high	1 Å²	1	37.2 Å²	37.2	1%	0.01	18%	0.179	C	C	.	.	T	Hydrogen-bonded Turn	trans	73.5	46.3	176.6	0	0	0	0	0	113.3	L274 L275 E276 T280 H284	L274-G278 PolarHBondContact O-N 3.46Å; L275-G278 PolarHBondContact O-N 2.94Å; E276-G278 PolarHBondContact O-N 3.18Å; E276-G278 VanDerWaalsContact O-N 3.15Å; G278-T280 PolarHBondContact O-N 3.4Å; G278-H284 PolarHBondContact O-CD2 3.1Å; G278-H284 PolarHBondContact O-NE2 2.77Å
279	C	92.1	Very high	93.3	Very high	11 Å²	11	38.7 Å²	38.7	7%	0.074	18%	0.177	C	C	.	.			trans	-60.6	1.7	-174.9	65.2	0	0	0	0	116.4	G90 L91 N94 L274	G90-C279 CarbonylContact C-O 3.56Å; G90-C279 WeakPolarHBondContact CA-O 3.49Å; L91-C279 PolarHBondContact N-O 2.96Å; N94-C279 HydrophobicContact CB-CB 4.3Å; L274-C279 VanDerWaalsContact O-CB 3.27Å; L274-C279 WeakPolarHBondContact O-CB 3.27Å; L274-C279 PolarHBondContact O-N 3.14Å; L274-C279 PolarHBondContact O-SG 3.49Å
280	T	93.2	Very high	93.2	Very high	19 Å²	19	41.2 Å²	41.2	12%	0.117	20%	0.203	C	C	.	.	S	Bend	trans	-122.3	153.1	179.3	65.9	0	0	0	0	112.3	L91 L161 G278 E282 A283 H284	L91-T280 HydrophobicContact CB-CG2 4.13Å; L161-T280 HydrophobicContact CB-CG2 4.09Å; L161-T280 HydrophobicContact CD1-CG2 3.43Å; L161-T280 VanDerWaalsContact CD1-CG2 3.43Å; L161-T280 HydrophobicContact CG-CG2 4.43Å; G278-T280 PolarHBondContact O-N 3.4Å; T280-E282 PolarHBondContact O-N 3.09Å; T280-A283 WeakPolarHBondContact O-CB 3.02Å; T280-A283 PolarHBondContact O-N 3.44Å; T280-A283 WeakPolarHBondContact OG1-CB 3.03Å; T280-A283 PolarHBondContact OG1-N 2.88Å; T280-A283 VanDerWaalsContact OG1-N 3.11Å; T280-H284 PolarHBondContact O-CD2 3Å; T280-H284 PolarHBondContact O-N 3.28Å; T280-H284 VanDerWaalsContact O-N 3.13Å
281	E	90.1	Very high	93.1	Very high	47 Å²	47	44.1 Å²	44.1	22%	0.22	21%	0.212	C	C	.	.	H	α-helix	trans	-62.3	-32.3	176.1	-54.5	-160.2	165.1	0	0	112.5	K28 Y88 H284 K285	K28-E281 WeakPolarHBondContact CD-OE1 3.16Å; K28-E281 WeakPolarHBondContact CD-OE2 3.28Å; K28-E281 WeakPolarHBondContact CE-OE1 3.46Å; K28-E281 IonicContact NZ-OE1 3.22Å; K28-E281 PolarHBondContact NZ-OE1 3.06Å; K28-E281 IonicContact NZ-OE2 3.92Å; K28-E281 PolarHBondContact NZ-OE2 3.33Å; Y88-E281 WeakPolarHBondContact CD2-OE2 3.47Å; E281-H284 PolarHBondContact O-N 2.74Å; E281-K285 WeakPolarHBondContact O-CB 3.45Å; E281-K285 PolarHBondContact O-N 3.2Å
282	E	93.1	Very high	93	Very high	62 Å²	62	46.7 Å²	46.7	29%	0.29	22%	0.224	S	C	.	.	H	α-helix	trans	-73.3	-35	-180	-92.2	42.5	133.5	0	0	111.3	Y162 T280 K285 A286	Y162-E282 HydrophobicContact CD1-CB 4.33Å; Y162-E282 HydrophobicContact CD2-CB 3.86Å; Y162-E282 HydrophobicContact CG-CB 3.74Å; T280-E282 PolarHBondContact O-N 3.09Å; E282-K285 PolarHBondContact O-N 3.27Å; E282-A286 WeakPolarHBondContact O-CB 3.17Å; E282-A286 PolarHBondContact O-N 3.08Å
283	A	93.9	Very high	92.9	Very high	3 Å²	3	46.6 Å²	46.6	3%	0.025	22%	0.224	C	C	.	.	H	α-helix	trans	-60.1	-49.4	166.5	0	0	0	0	0	111.6	Y162 L239 T280 K285 A286 C287	Y162-A283 HydrophobicContact CE2-CB 3.75Å; Y162-A283 VanDerWaalsContact OH-CA 3.3Å; Y162-A283 WeakPolarHBondContact OH-CA 3.32Å; Y162-A283 WeakPolarHBondContact OH-CB 3.23Å; L239-A283 HydrophobicContact CD2-CB 4.16Å; T280-A283 WeakPolarHBondContact O-CB 3.02Å; T280-A283 PolarHBondContact O-N 3.44Å; T280-A283 WeakPolarHBondContact OG1-CB 3.03Å; T280-A283 PolarHBondContact OG1-N 2.88Å; T280-A283 VanDerWaalsContact OG1-N 3.11Å; A283-K285 PolarHBondContact O-N 2.91Å; A283-A286 PolarHBondContact O-N 2.97Å; A283-C287 PolarHBondContact O-N 3.32Å; A283-C287 PolarHBondContact O-SG 3.11Å; A283-C287 VanDerWaalsContact O-SG 3.34Å
284	H	92.5	Very high	93	Very high	80 Å²	80	42 Å²	42	37%	0.37	20%	0.204	S	C	.	.	H	α-helix	trans	-59.7	-35.4	175.5	-72.9	-71	0	0	0	112.8	L239 G278 T280 E281 R288	L239-H284 HydrophobicContact CD2-CB 4.5Å; G278-H284 PolarHBondContact O-CD2 3.1Å; G278-H284 PolarHBondContact O-NE2 2.77Å; T280-H284 PolarHBondContact O-CD2 3Å; T280-H284 PolarHBondContact O-N 3.28Å; T280-H284 VanDerWaalsContact O-N 3.13Å; E281-H284 PolarHBondContact O-N 2.74Å; H284-R288 WeakPolarHBondContact O-CG 3.31Å; H284-R288 PolarHBondContact O-N 3.42Å; H284-R288 PolarHBondContact O-NH1 2.82Å
285	K	91.6	Very high	93.1	Very high	82 Å²	82	41.7 Å²	41.7	36%	0.357	20%	0.202	S	C	.	.	H	α-helix	trans	-69.4	-48.2	176.5	-174.8	-170.9	169.2	-163.8	0	111.4	E281 E282 A283 C287 R288 E289	E281-K285 WeakPolarHBondContact O-CB 3.45Å; E281-K285 PolarHBondContact O-N 3.2Å; E282-K285 PolarHBondContact O-N 3.27Å; A283-K285 PolarHBondContact O-N 2.91Å; K285-C287 VanDerWaalsContact C-N 3.31Å; K285-C287 PolarHBondContact O-N 3.36Å; K285-R288 PolarHBondContact O-N 3Å; K285-E289 WeakPolarHBondContact CE-OE1 3.13Å; K285-E289 WeakPolarHBondContact O-CG 3.28Å; K285-E289 PolarHBondContact O-N 2.8Å
286	A	92.5	Very high	93.2	Very high	0 Å²	0	41.2 Å²	41.2	0%	0	20%	0.2	C	C	.	.	H	α-helix	trans	-53.6	-49.3	174.3	0	0	0	0	0	110.8	Y162 D200 E282 A283 R288 E289 G290 R291	Y162-A286 HydrophobicContact CE1-CB 3.98Å; D200-A286 HydrophobicContact CB-CB 4.27Å; E282-A286 WeakPolarHBondContact O-CB 3.17Å; E282-A286 PolarHBondContact O-N 3.08Å; A283-A286 PolarHBondContact O-N 2.97Å; A286-R288 PolarHBondContact O-N 3.07Å; A286-E289 CarbonylContact O-C 3.53Å; A286-E289 PolarHBondContact O-N 3.19Å; A286-E289 VanDerWaalsContact O-N 3.09Å; A286-G290 PolarHBondContact O-N 3.35Å; A286-G290 VanDerWaalsContact O-N 3.11Å; A286-R291 HydrophobicContact CB-CB 4.16Å; A286-R291 PolarHBondContact O-N 2.84Å
287	C	91.8	Very high	93.4	Very high	19 Å²	19	41.1 Å²	41.1	13%	0.128	20%	0.199	C	C	.	.	H	α-helix	trans	-62.4	-42.1	178.5	-65.7	0	0	0	0	113.8	P228 L239 L240 A283 K285 E289 G290	P228-C287 HydrophobicContact CB-CB 4.12Å; P228-C287 HydrophobicContact CG-CB 4.23Å; L239-C287 HydrophobicContact CD1-CB 4.21Å; L239-C287 HydrophobicContact CD2-CB 4.14Å; L239-C287 VanDerWaalsContact CD2-SG 3.59Å; L239-C287 HydrophobicContact CG-CB 4.1Å; L240-C287 WeakPolarHBondContact CD2-SG 3.26Å; A283-C287 PolarHBondContact O-N 3.32Å; A283-C287 PolarHBondContact O-SG 3.11Å; A283-C287 VanDerWaalsContact O-SG 3.34Å; K285-C287 VanDerWaalsContact C-N 3.31Å; K285-C287 PolarHBondContact O-N 3.36Å; C287-E289 PolarHBondContact O-N 3.12Å; C287-G290 PolarHBondContact O-N 3.09Å; C287-G290 VanDerWaalsContact O-N 3.1Å
288	R	91.3	Very high	93.6	Very high	183 Å²	183	38.8 Å²	38.8	69%	0.691	19%	0.188	S	C	*	.	H	α-helix	trans	-62.7	-30.6	175.6	-78	-168.8	-53.6	-85.5	-2.8	112.9	H284 K285 A286 G290	H284-R288 WeakPolarHBondContact O-CG 3.31Å; H284-R288 PolarHBondContact O-N 3.42Å; H284-R288 PolarHBondContact O-NH1 2.82Å; K285-R288 PolarHBondContact O-N 3Å; A286-R288 PolarHBondContact O-N 3.07Å; R288-G290 VanDerWaalsContact C-N 3.3Å
289	E	92.4	Very high	94	Very high	108 Å²	108	40.4 Å²	40.4	51%	0.505	20%	0.196	S	C	.	.	T	Hydrogen-bonded Turn	trans	-90	5	178.7	-67.8	171.7	-177.3	0	0	112.3	K285 A286 C287 R291	K285-E289 WeakPolarHBondContact CE-OE1 3.13Å; K285-E289 WeakPolarHBondContact O-CG 3.28Å; K285-E289 PolarHBondContact O-N 2.8Å; A286-E289 CarbonylContact O-C 3.53Å; A286-E289 PolarHBondContact O-N 3.19Å; A286-E289 VanDerWaalsContact O-N 3.09Å; C287-E289 PolarHBondContact O-N 3.12Å; E289-R291 HydrophobicContact CB-CG 4.05Å; E289-R291 PolarHBondContact O-N 3Å; E289-R291 IonicContact OE2-CZ 3.14Å; E289-R291 IonicContact OE2-NE 2.74Å; E289-R291 PolarHBondContact OE2-NE 2.73Å; E289-R291 IonicContact OE2-NH2 3.2Å; E289-R291 PolarHBondContact OE2-NH2 2.82Å
290	G	91.5	Very high	94.3	Very high	55 Å²	55	40 Å²	40	57%	0.567	19%	0.193	S	C	*	.	T	Hydrogen-bonded Turn	trans	69.2	16	-179.6	0	0	0	0	0	114.1	A286 C287 R288	A286-G290 PolarHBondContact O-N 3.35Å; A286-G290 VanDerWaalsContact O-N 3.11Å; C287-G290 PolarHBondContact O-N 3.09Å; C287-G290 VanDerWaalsContact O-N 3.1Å; R288-G290 VanDerWaalsContact C-N 3.3Å
291	R	93.3	Very high	94.4	Very high	77 Å²	77	41.4 Å²	41.4	29%	0.291	20%	0.199	S	C	.	.			trans	-82.5	137	-177.9	-60.7	-172.6	-73.1	131.9	19.5	110.2	D200 A286 E289	D200-R291 HydrophobicContact CB-CB 4.25Å; D200-R291 IonicContact OD1-NH1 3.24Å; D200-R291 PolarHBondContact OD1-NH1 3.12Å; D200-R291 IonicContact OD2-CZ 2.73Å; D200-R291 IonicContact OD2-NE 2.66Å; D200-R291 IonicContact OD2-NH1 3.43Å; D200-R291 PolarHBondContact OD2-NH1 3.02Å; D200-R291 IonicContact OD2-NH2 2.72Å; D200-R291 PolarHBondContact OD2-NH2 2.9Å; A286-R291 HydrophobicContact CB-CB 4.16Å; A286-R291 PolarHBondContact O-N 2.84Å; E289-R291 HydrophobicContact CB-CG 4.05Å; E289-R291 PolarHBondContact O-N 3Å; E289-R291 IonicContact OE2-CZ 3.14Å; E289-R291 IonicContact OE2-NE 2.74Å; E289-R291 PolarHBondContact OE2-NE 2.73Å; E289-R291 IonicContact OE2-NH2 3.2Å; E289-R291 PolarHBondContact OE2-NH2 2.82Å
292	E	93.4	Very high	94.7	Very high	54 Å²	54	43.3 Å²	43.3	25%	0.252	22%	0.215	S	C	.	.			trans	-76.4	165.7	175	-57.3	-173.9	106.1	0	0	111.1	D200 H225 L226 S243 Y245	D200-E292 VanDerWaalsContact CA-O 3.24Å; D200-E292 WeakPolarHBondContact CA-O 3.35Å; D200-E292 WeakPolarHBondContact CB-O 3.44Å; H225-E292 IonicContact CE1-OE1 3.15Å; H225-E292 PolarHBondContact CE1-OE1 3.22Å; H225-E292 IonicContact CE1-OE2 3.31Å; H225-E292 PolarHBondContact CE1-OE2 2.96Å; H225-E292 VanDerWaalsContact CE1-OE2 3.31Å; H225-E292 IonicContact ND1-OE1 3.96Å; H225-E292 WeakPolarHBondContact NE2-CB 3.45Å; H225-E292 VanDerWaalsContact NE2-CD 3.26Å; H225-E292 IonicContact NE2-OE1 3.41Å; H225-E292 PolarHBondContact NE2-OE1 3.34Å; H225-E292 IonicContact NE2-OE2 3.38Å; H225-E292 PolarHBondContact NE2-OE2 3.09Å; L226-E292 CarbonylContact O-C 3.51Å; L226-E292 WeakPolarHBondContact O-CA 3.43Å; S243-E292 PolarHBondContact OG-OE1 3.45Å; Y245-E292 WeakPolarHBondContact CB-OE1 3.3Å; Y245-E292 WeakPolarHBondContact CD2-OE1 3.42Å
293	T	95.2	Very high	94.5	Very high	1 Å²	1	43.9 Å²	43.9	1%	0.006	22%	0.221	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-131.6	122.4	-177.4	-60.7	0	0	0	0	110.1	Y162 T198 T199 L226 L240	Y162-T293 HydrophobicContact CE1-CG2 4.47Å; Y162-T293 VanDerWaalsContact OH-CG2 3.32Å; Y162-T293 WeakPolarHBondContact OH-CG2 3.45Å; Y162-T293 PolarHBondContact OH-OG1 2.8Å; T198-T293 HydrophobicContact CG2-CG2 4.32Å; T199-T293 CarbonylContact O-C 3.56Å; T199-T293 WeakPolarHBondContact O-CA 3.16Å; L226-T293 WeakPolarHBondContact CB-O 3.46Å; L226-T293 PolarHBondContact N-O 2.77Å; L226-T293 PolarHBondContact O-N 2.99Å; L240-T293 HydrophobicContact CD1-CG2 4.4Å
294	F	95.5	Very high	93.9	Very high	10 Å²	10	52.4 Å²	52.4	4%	0.044	28%	0.276	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-88	114.9	170.1	-55.1	-84.7	0	0	0	108.5	T198 T199 P202 H225 D247 I248 F249	T198-F294 VanDerWaalsContact CA-O 3.28Å; T198-F294 WeakPolarHBondContact CA-O 3.47Å; T199-F294 HydrophobicContact CG2-CB 4.16Å; T199-F294 HydrophobicContact CG2-CD2 4.42Å; T199-F294 PolarHBondContact N-O 3.07Å; T199-F294 WeakPolarHBondContact O-CD2 3.38Å; T199-F294 PolarHBondContact O-N 3.22Å; P202-F294 HydrophobicContact CB-CE2 3.99Å; P202-F294 HydrophobicContact CB-CZ 3.95Å; P202-F294 HydrophobicContact CG-CE2 3.57Å; P202-F294 HydrophobicContact CG-CZ 3.67Å; H225-F294 AromaticContact CD2-CD1 3.95Å; H225-F294 AromaticContact CD2-CE1 3.7Å; H225-F294 AromaticContact NE2-CE1 3.69Å; H225-F294 AromaticContact NE2-CZ 3.77Å; D247-F294 WeakPolarHBondContact OD2-CD1 3.43Å; D247-F294 WeakPolarHBondContact OD2-CE1 3.12Å; I248-F294 HydrophobicContact CD1-CE1 4.44Å; I248-F294 HydrophobicContact CG1-CD1 4.23Å; I248-F294 HydrophobicContact CG1-CE1 4.01Å; F249-F294 HydrophobicContact CE2-CD1 4.28Å
295	L	96.8	Very high	94	Very high	1 Å²	1	51.1 Å²	51.1	1%	0.005	27%	0.271	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-100.1	123.5	173.2	167.2	62.5	0	0	0	109.2	T198 H223 V224 L226 F262 L272 L275 V297	T198-L295 HydrophobicContact CG2-CB 4.38Å; T198-L295 HydrophobicContact CG2-CD1 3.76Å; H223-L295 CarbonylContact C-O 3.6Å; H223-L295 WeakPolarHBondContact CA-O 3.3Å; V224-L295 HydrophobicContact CB-CB 4.14Å; V224-L295 HydrophobicContact CB-CD2 4.24Å; V224-L295 HydrophobicContact CB-CG 4.41Å; V224-L295 HydrophobicContact CG2-CD2 4.23Å; V224-L295 HydrophobicContact CG2-CG 4.5Å; V224-L295 PolarHBondContact N-O 3.38Å; V224-L295 PolarHBondContact O-N 2.91Å; L226-L295 HydrophobicContact CD1-CB 4.23Å; L226-L295 HydrophobicContact CD1-CD2 4.3Å; F262-L295 HydrophobicContact CE2-CD2 4.25Å; F262-L295 HydrophobicContact CZ-CD2 4.21Å; L272-L295 HydrophobicContact CD2-CD2 4.08Å; L275-L295 HydrophobicContact CD1-CD1 3.55Å; L295-V297 HydrophobicContact CD1-CG2 4.02Å; L295-V297 HydrophobicContact CG-CG2 4.32Å
296	I	97.6	Very high	94.1	Very high	1 Å²	1	49.4 Å²	49.4	1%	0.005	27%	0.266	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-127	123	-173.8	-61.9	158.9	0	0	0	108.4	S197 I208 V209 L212 F249 Y298	S197-I296 PolarHBondContact N-O 2.76Å; S197-I296 PolarHBondContact O-N 2.94Å; I208-I296 HydrophobicContact CB-CD1 4.23Å; I208-I296 HydrophobicContact CG2-CD1 4.05Å; I208-I296 HydrophobicContact CG2-CG2 4.19Å; V209-I296 HydrophobicContact CG2-CD1 3.9Å; V209-I296 HydrophobicContact CG2-CG1 4.08Å; V209-I296 HydrophobicContact CG2-CG2 3.91Å; L212-I296 HydrophobicContact CD1-CG2 4.43Å; F249-I296 HydrophobicContact CE2-CD1 4.24Å; F249-I296 HydrophobicContact CE2-CG1 4.36Å; F249-I296 HydrophobicContact CZ-CD1 4.38Å; I296-Y298 HydrophobicContact CG2-CD2 3.71Å; I296-Y298 HydrophobicContact CG2-CE2 3.45Å; I296-Y298 VanDerWaalsContact CG2-CE2 3.45Å
297	V	98.4	Very high	94.2	Very high	0 Å²	0	52.2 Å²	52.2	0%	0	28%	0.281	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-126.5	126.7	-178.8	-171	0	0	0	0	110.8	K194 I195 Y196 V221 C222 L272 L295	K194-V297 HydrophobicContact CD-CG1 4.37Å; I195-V297 WeakPolarHBondContact O-CA 3.37Å; Y196-V297 HydrophobicContact CD1-CG1 3.93Å; Y196-V297 HydrophobicContact CD1-CG2 3.82Å; Y196-V297 HydrophobicContact CE1-CG1 3.82Å; Y196-V297 HydrophobicContact CE1-CG2 4.29Å; V221-V297 HydrophobicContact CB-CB 4.19Å; V221-V297 HydrophobicContact CB-CG1 3.98Å; V221-V297 WeakPolarHBondContact CB-O 3.38Å; V221-V297 HydrophobicContact CG1-CG1 4.31Å; V221-V297 HydrophobicContact CG2-CG1 4.33Å; V221-V297 PolarHBondContact N-O 3.14Å; C222-V297 PolarHBondContact N-O 2.84Å; C222-V297 PolarHBondContact O-N 3.31Å; L272-V297 HydrophobicContact CD2-CG2 3.87Å; L295-V297 HydrophobicContact CD1-CG2 4.02Å; L295-V297 HydrophobicContact CG-CG2 4.32Å
298	Y	98.6	Very high	94.3	Very high	0 Å²	0	54.1 Å²	54.1	0%	0	29%	0.29	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-127.5	147.5	176.7	-80.5	-112	0	0	0	110.4	K194 I195 L212 C213 F218 R219 P220 H223 I296	K194-Y298 CarbonylContact C-O 3.59Å; K194-Y298 VanDerWaalsContact CA-O 3.28Å; K194-Y298 WeakPolarHBondContact CA-O 3.43Å; I195-Y298 PolarHBondContact N-O 2.55Å; I195-Y298 PolarHBondContact O-N 2.83Å; L212-Y298 HydrophobicContact CB-CD1 3.6Å; L212-Y298 HydrophobicContact CB-CD2 4.06Å; L212-Y298 HydrophobicContact CB-CE1 3.53Å; L212-Y298 HydrophobicContact CB-CE2 3.99Å; L212-Y298 HydrophobicContact CB-CG 3.87Å; L212-Y298 HydrophobicContact CD1-CD1 4.44Å; L212-Y298 HydrophobicContact CD1-CD2 3.51Å; L212-Y298 HydrophobicContact CD1-CE2 3.89Å; L212-Y298 HydrophobicContact CD1-CG 3.82Å; L212-Y298 HydrophobicContact CD2-CD1 4.4Å; L212-Y298 HydrophobicContact CD2-CG 4.17Å; L212-Y298 HydrophobicContact CG-CD1 4.36Å; L212-Y298 HydrophobicContact CG-CD2 4.28Å; L212-Y298 HydrophobicContact CG-CG 4.18Å; C213-Y298 PolarHBondContact SG-OH 2.7Å; F218-Y298 HydrophobicContact CB-CD1 4.17Å; R219-Y298 CarbonylContact O-C 3.57Å; R219-Y298 VanDerWaalsContact O-CA 3.3Å; R219-Y298 WeakPolarHBondContact O-CA 3.36Å; R219-Y298 WeakPolarHBondContact O-CD1 3.46Å; P220-Y298 HydrophobicContact CB-CD1 4.29Å; P220-Y298 HydrophobicContact CB-CE1 3.81Å; P220-Y298 HydrophobicContact CB-CE2 4.4Å; P220-Y298 HydrophobicContact CG-CE1 4.36Å; H223-Y298 AromaticContact NE2-CE2 3.41Å; H223-Y298 WeakPolarHBondContact NE2-CE2 3.49Å; H223-Y298 AromaticContact NE2-CZ 3.66Å; H223-Y298 PolarHBondContact NE2-OH 3.41Å; I296-Y298 HydrophobicContact CG2-CD2 3.71Å; I296-Y298 HydrophobicContact CG2-CE2 3.45Å; I296-Y298 VanDerWaalsContact CG2-CE2 3.45Å
299	E	98.5	Very high	94.5	Very high	35 Å²	35	46.1 Å²	46.1	16%	0.164	27%	0.265	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-109.7	140	178.1	-171.2	-172	94.2	0	0	110.5	G193 K194 F218 R219 V221 I301	G193-E299 CarbonylContact O-C 3.59Å; G193-E299 WeakPolarHBondContact O-CA 3.38Å; K194-E299 HydrophobicContact CG-CB 4.27Å; K194-E299 HydrophobicContact CG-CG 4.27Å; F218-E299 WeakPolarHBondContact CA-O 3.43Å; R219-E299 HydrophobicContact CG-CB 4.18Å; R219-E299 IonicContact CZ-OE1 3.42Å; R219-E299 IonicContact CZ-OE2 2.88Å; R219-E299 PolarHBondContact N-O 2.85Å; R219-E299 IonicContact NE-OE1 3.59Å; R219-E299 PolarHBondContact NE-OE1 3.12Å; R219-E299 IonicContact NH2-OE1 2.58Å; R219-E299 PolarHBondContact NH2-OE1 3.45Å; R219-E299 IonicContact NH2-OE2 2.92Å; R219-E299 PolarHBondContact NH2-OE2 3.06Å; R219-E299 VanDerWaalsContact NH2-OE2 3.07Å; R219-E299 PolarHBondContact O-N 3.15Å; V221-E299 HydrophobicContact CG2-CB 3.59Å; E299-I301 PolarHBondContact O-N 3.26Å
300	R	98.4	Very high	94.6	Very high	4 Å²	4	41.9 Å²	41.9	2%	0.015	25%	0.249	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-72.6	115.6	170.2	175.3	55.1	164.5	102.9	1.3	109.6	A186 L189 T190 G192 G193 L217 F218 N303	A186-R300 PolarHBondContact O-NE 2.89Å; A186-R300 PolarHBondContact O-NH2 3.35Å; L189-R300 HydrophobicContact CB-CB 4.06Å; L189-R300 HydrophobicContact CB-CG 4.01Å; L189-R300 HydrophobicContact CD1-CB 4.47Å; T190-R300 WeakPolarHBondContact O-CG 3.47Å; G192-R300 PolarHBondContact N-O 2.81Å; G193-R300 WeakPolarHBondContact O-CB 3.39Å; G193-R300 PolarHBondContact O-N 3.2Å; L217-R300 WeakPolarHBondContact O-CA 3.39Å; L217-R300 VanDerWaalsContact O-CD 3.3Å; L217-R300 WeakPolarHBondContact O-CD 3.36Å; F218-R300 HydrophobicContact CD1-CB 4.43Å; F218-R300 HydrophobicContact CE1-CB 4.08Å; R300-N303 PolarHBondContact NH1-OD1 3.17Å; R300-N303 VanDerWaalsContact NH1-OD1 3.1Å; R300-N303 PolarHBondContact NH2-OD1 2.79Å
301	I	97.1	Very high	94.9	Very high	48 Å²	48	41 Å²	41	25%	0.246	23%	0.226	C	C	.	.	P	Polyproline II helix	trans	-79.1	165.5	173.9	65	172.1	0	0	0	110.7	P216 L217 R219 E299	P216-I301 WeakPolarHBondContact O-CD1 3.43Å; L217-I301 PolarHBondContact O-N 3.13Å; R219-I301 HydrophobicContact CB-CG2 3.94Å; R219-I301 VanDerWaalsContact CD-CG2 3.49Å; R219-I301 HydrophobicContact CG-CG2 3.59Å; E299-I301 PolarHBondContact O-N 3.26Å
302	P	95.3	Very high	95	Very high	87 Å²	87	38.2 Å²	38.2	57%	0.565	22%	0.222	S	C	*	.	P	Polyproline II helix	trans	-59.8	158.2	168.9	-24.4	35.5	0	0	0	112.9	P191	P191-P302 HydrophobicContact CB-CB 4.39Å; P191-P302 HydrophobicContact CB-CG 4.14Å
303	N	88.2	Confident	95.1	Very high	74 Å²	74	36.9 Å²	36.9	40%	0.396	22%	0.219	S	C	.	.	P	Polyproline II helix	trans	-63.9	140.1	170.8	-57.6	-46.4	0	0	0	109.4	R300	R300-N303 PolarHBondContact NH1-OD1 3.17Å; R300-N303 VanDerWaalsContact NH1-OD1 3.1Å; R300-N303 PolarHBondContact NH2-OD1 2.79Å
304	P	82.1	Confident	95.1	Very high	182 Å²	182	40.2 Å²	40.2	100%	1.182	24%	0.238	S	C	*	.			trans	-63	0	175.7	29	-35.6	0	0	0	112.5

Retrieved 304 of 304 residues in 310.9 ms (Link to these results)

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