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Dolichyl-diphosphooligosaccharide--protein glycosyltransferase subunit 1

Subunit of the oligosaccharyl transferase (OST) complex that catalyzes the initial transfer of a defined glycan (Glc(3)Man(9)GlcNAc(2) in eukaryotes) from the lipid carrier dolichol-pyrophosphate to an asparagine residue within an Asn-X-Ser/Thr consensus motif in nascent polypeptide chains, the first step in protein N-glycosylation. N-glycosylation occurs cotranslationally and the complex associates with the Sec61 complex at the channel-forming translocon complex that mediates protein translocation across the endoplasmic reticulum (ER). All subunits are required for a maximal enzyme activity.

AlphaFold DB , UniProt , Accession Q4R4T0, Species MACFA (Macaca fascicularis, Crab-eating macaque), Gene RPN1, Length 607 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	40.5	Very low	37.9	Very low	236 Å²	236	160.3 Å²	160.3	100%	1.163	85%	0.852	S	S	*	*				0	82.6	0	-76.9	174.6	147.5	0	0	105.8
2	E	36	Very low	37.6	Very low	195 Å²	195	159 Å²	159	91%	0.911	85%	0.845	S	S	*	*				62.2	123.1	95.4	-70.9	-163.5	179.8	0	0	110.8
3	A	40.8	Very low	37.4	Very low	94 Å²	94	159.1 Å²	159.1	78%	0.777	84%	0.844	S	S	*	*			cis	-163.6	170.2	7.9	0	0	0	0	0	107.9
4	P	45.1	Very low	37.2	Very low	124 Å²	124	160.3 Å²	160.3	81%	0.805	85%	0.85	S	S	*	*			trans	-103.6	164	-155	37.4	-29	0	0	0	114
5	V	46.6	Very low	36.9	Very low	145 Å²	145	153.9 Å²	153.9	88%	0.879	84%	0.838	S	S	*	*			trans	-119.6	120.3	167.5	179.7	0	0	0	0	109.6
6	A	35.7	Very low	36.6	Very low	92 Å²	92	150.8 Å²	150.8	76%	0.76	83%	0.83	S	S	*	*			trans	-64	137.9	178.3	0	0	0	0	0	112.3
7	R	39.6	Very low	36.3	Very low	250 Å²	250	157.1 Å²	157.1	94%	0.943	84%	0.839	S	S	*	*			trans	-130.3	117.4	153.1	-86	-169.4	174.9	-177.4	-0.9	110.9
8	L	37.8	Very low	36.1	Very low	168 Å²	168	154.4 Å²	154.4	88%	0.88	83%	0.83	S	S	*	*			trans	-35.9	136.3	171	-147.8	72.3	0	0	0	115.3
9	F	30.7	Very low	36	Very low	170 Å²	170	152.7 Å²	152.7	75%	0.746	83%	0.828	S	S	*	*			trans	-29	131.7	162.1	-86.3	-105.5	0	0	0	116.5	L11	F9-L11 HydrophobicContact CD1-CD1 3.92Å; F9-L11 HydrophobicContact CE1-CD1 3.85Å
10	L	33.2	Very low	35.7	Very low	149 Å²	149	149.5 Å²	149.5	78%	0.78	82%	0.823	S	S	*	*			trans	-148.4	98.3	135.4	-146.6	87.6	0	0	0	109.1	L12	L10-L12 HydrophobicContact CD2-CD1 3.97Å; L10-L12 HydrophobicContact CD2-CG 4.31Å; L10-L12 PolarHBondContact O-N 3.27Å
11	L	31.1	Very low	35.7	Very low	140 Å²	140	148.2 Å²	148.2	73%	0.733	82%	0.822	S	S	*	*			trans	-72.2	98.8	167	-98.9	119.2	0	0	0	108.1	F9 L13	F9-L11 HydrophobicContact CD1-CD1 3.92Å; F9-L11 HydrophobicContact CE1-CD1 3.85Å; L11-L13 PolarHBondContact O-N 3.26Å
12	L	34.8	Very low	35.4	Very low	145 Å²	145	140.7 Å²	140.7	76%	0.759	80%	0.804	S	S	*	*			trans	-83.1	97.9	164.7	-95.2	144.7	0	0	0	108.2	L10 L14	L10-L12 HydrophobicContact CD2-CD1 3.97Å; L10-L12 HydrophobicContact CD2-CG 4.31Å; L10-L12 PolarHBondContact O-N 3.27Å; L12-L14 PolarHBondContact O-N 2.89Å; L12-L14 VanDerWaalsContact O-N 3.14Å
13	L	34.1	Very low	35.2	Very low	160 Å²	160	136.3 Å²	136.3	84%	0.838	80%	0.795	S	S	*	*			trans	-61.2	106.3	164.2	-87.4	134.9	0	0	0	108.7	L11 G15	L11-L13 PolarHBondContact O-N 3.26Å; L13-G15 VanDerWaalsContact C-N 3.31Å; L13-G15 PolarHBondContact O-N 2.99Å
14	L	35.2	Very low	34.9	Very low	176 Å²	176	134 Å²	134	92%	0.921	78%	0.777	S	S	*	*			trans	-65.8	90.5	164.5	-83	147.9	0	0	0	108.5	L12 S16	L12-L14 PolarHBondContact O-N 2.89Å; L12-L14 VanDerWaalsContact O-N 3.14Å; L14-S16 PolarHBondContact O-N 3.49Å
15	G	32	Very low	35	Very low	65 Å²	65	130 Å²	130	67%	0.67	75%	0.751	S	S	*	*			trans	-78.5	101.9	167.3	0	0	0	0	0	109.4	L13 W17	L13-G15 VanDerWaalsContact C-N 3.31Å; L13-G15 PolarHBondContact O-N 2.99Å; G15-W17 PolarHBondContact O-N 3.49Å
16	S	32.8	Very low	35.1	Very low	103 Å²	103	128.4 Å²	128.4	72%	0.72	75%	0.747	S	S	*	*			trans	-62.2	111.1	164.7	39	0	0	0	0	109.4	L14 T18	L14-S16 PolarHBondContact O-N 3.49Å; S16-T18 VanDerWaalsContact C-N 3.33Å; S16-T18 PolarHBondContact O-N 3.13Å
17	W	31.8	Very low	36.2	Very low	258 Å²	258	132.9 Å²	132.9	98%	0.977	75%	0.752	S	S	*	*			trans	-73.9	90.5	165.4	-86.1	22	0	0	0	108.6	G15	G15-W17 PolarHBondContact O-N 3.49Å
18	T	31.8	Very low	37.2	Very low	109 Å²	109	123.1 Å²	123.1	67%	0.669	72%	0.724	S	S	*	*	P	Polyproline II helix	trans	-77	139	157.6	46	0	0	0	0	108.2	S16 A20	S16-T18 VanDerWaalsContact C-N 3.33Å; S16-T18 PolarHBondContact O-N 3.13Å; T18-A20 PolarHBondContact O-N 3.28Å; T18-A20 VanDerWaalsContact O-N 3.11Å
19	P	34.7	Very low	38.5	Very low	123 Å²	123	116.9 Å²	116.9	80%	0.799	69%	0.694	S	S	*	*	P	Polyproline II helix	trans	-62.7	120.2	172.4	26.8	-30.5	0	0	0	107.5
20	A	30.6	Very low	40.7	Very low	88 Å²	88	112.1 Å²	112.1	73%	0.727	68%	0.68	S	S	*	*	P	Polyproline II helix	trans	-59.6	128.3	178.4	0	0	0	0	0	109.1	T18 G22	T18-A20 PolarHBondContact O-N 3.28Å; T18-A20 VanDerWaalsContact O-N 3.11Å; A20-G22 PolarHBondContact O-N 3.02Å
21	P	34.5	Very low	43.4	Very low	123 Å²	123	105.2 Å²	105.2	80%	0.799	64%	0.644	S	S	*	*	P	Polyproline II helix	trans	-61.7	130.2	174.8	25.9	-31.7	0	0	0	108.6	S23	P21-S23 PolarHBondContact O-N 2.91Å; P21-S23 VanDerWaalsContact O-N 3.15Å
22	G	33.9	Very low	46.4	Very low	77 Å²	77	99.4 Å²	99.4	79%	0.794	61%	0.613	S	S	*	*			trans	-41.7	118.9	-173.7	0	0	0	0	0	112.7	A20 A24	A20-G22 PolarHBondContact O-N 3.02Å; G22-A24 PolarHBondContact O-N 3.1Å; G22-A24 VanDerWaalsContact O-N 3.12Å
23	S	33.5	Very low	49.3	Very low	104 Å²	104	92.5 Å²	92.5	73%	0.727	58%	0.577	S	S	*	*			trans	-59.4	115.9	175.4	56.9	0	0	0	0	108.9	P21 S25	P21-S23 PolarHBondContact O-N 2.91Å; P21-S23 VanDerWaalsContact O-N 3.15Å; S23-S25 PolarHBondContact O-N 3.41Å
24	A	33.3	Very low	52.2	Low	46 Å²	46	86.8 Å²	86.8	38%	0.38	55%	0.547	S	S	.	.			trans	-61.3	107.3	171.7	0	0	0	0	0	109.9	G22 K106	G22-A24 PolarHBondContact O-N 3.1Å; G22-A24 VanDerWaalsContact O-N 3.12Å; A24-K106 HydrophobicContact CB-CD 4.13Å; A24-K106 VanDerWaalsContact CB-CE 3.49Å; A24-K106 HydrophobicContact CB-CG 3.87Å
25	S	47.1	Very low	55.1	Low	38 Å²	38	80.6 Å²	80.6	27%	0.266	51%	0.514	S	S	.	.	B	Isolated β-bridge	trans	-68.6	130.3	177.5	52.4	0	0	0	0	110.7	S23	S23-S25 PolarHBondContact O-N 3.41Å
26	S	49.3	Very low	58.2	Low	113 Å²	113	77.6 Å²	77.6	79%	0.79	48%	0.483	S	S	*	.			trans	-68.4	156.2	166.3	64.2	0	0	0	0	110.5
27	E	57.8	Low	61.3	Low	185 Å²	185	77.3 Å²	77.3	86%	0.864	47%	0.469	S	S	*	.	S	Bend	trans	-11.8	130.5	-176.6	-75	175.6	144.5	0	0	117.6
28	A	60.7	Low	64.4	Low	45 Å²	45	66.1 Å²	66.1	37%	0.372	43%	0.426	S	S	.	.			trans	-52.7	139.9	177.2	0	0	0	0	0	111	L70 Y166	A28-L70 HydrophobicContact CB-CD2 4.21Å; A28-Y166 HydrophobicContact CB-CE1 3.71Å
29	P	65.6	Low	67.6	Low	37 Å²	37	63.9 Å²	63.9	24%	0.24	41%	0.412	C	S	.	.			trans	-55	148.7	177.2	21.8	-31.6	0	0	0	110.1	L31 A66 S68 Y166	P29-L31 HydrophobicContact CB-CG 4.28Å; P29-L31 HydrophobicContact CG-CD1 3.98Å; P29-L31 HydrophobicContact CG-CG 4.11Å; P29-L31 PolarHBondContact O-N 3.49Å; P29-A66 HydrophobicContact CB-CB 4.11Å; P29-A66 HydrophobicContact CG-CB 4.37Å; P29-S68 WeakPolarHBondContact CG-O 3.38Å; P29-Y166 WeakPolarHBondContact O-CE1 3.48Å
30	P	77.6	Confident	70.6	Confident	70 Å²	70	58.3 Å²	58.3	46%	0.455	38%	0.376	S	S	.	.	S	Bend	trans	-72.8	76.9	-176.9	30.4	-33.9	0	0	0	110.4	H57 L58 T63	P30-H57 PolarHBondContact O-ND1 3.12Å; P30-L58 PolarHBondContact O-N 3.24Å; P30-T63 HydrophobicContact CG-CG2 3.94Å
31	L	90.2	Very high	73.8	Confident	5 Å²	5	55.2 Å²	55.2	3%	0.026	35%	0.347	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-100.6	152.2	174.3	-60.5	179.1	0	0	0	109.5	P29 A56 H57 A66 F69 L121 Y166	P29-L31 HydrophobicContact CB-CG 4.28Å; P29-L31 HydrophobicContact CG-CD1 3.98Å; P29-L31 HydrophobicContact CG-CG 4.11Å; P29-L31 PolarHBondContact O-N 3.49Å; L31-A56 WeakPolarHBondContact CA-O 3.33Å; L31-H57 HydrophobicContact CD2-CB 4.05Å; L31-A66 HydrophobicContact CD2-CB 3.98Å; L31-F69 HydrophobicContact CD1-CB 3.69Å; L31-L121 HydrophobicContact CD2-CD2 4.05Å; L31-Y166 HydrophobicContact CB-CD1 3.88Å; L31-Y166 HydrophobicContact CB-CE1 3.8Å; L31-Y166 HydrophobicContact CB-CG 4.33Å; L31-Y166 HydrophobicContact CD1-CE1 4.39Å; L31-Y166 HydrophobicContact CD1-CE2 4.49Å; L31-Y166 HydrophobicContact CG-CE1 4.38Å; L31-Y166 WeakPolarHBondContact O-CD1 3.5Å
32	I	93.1	Very high	76.8	Confident	17 Å²	17	49.4 Å²	49.4	9%	0.087	31%	0.309	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-129.7	141.4	172	-172.5	159.3	0	0	0	108.9	E34 A56 L58 P167 K169	I32-E34 HydrophobicContact CG2-CG 4.45Å; I32-E34 PolarHBondContact O-N 3.23Å; I32-A56 HydrophobicContact CG2-CB 3.91Å; I32-A56 PolarHBondContact N-O 3.33Å; I32-A56 PolarHBondContact O-N 3.16Å; I32-L58 HydrophobicContact CB-CD1 3.55Å; I32-L58 HydrophobicContact CB-CG 4Å; I32-L58 HydrophobicContact CD1-CD1 3.86Å; I32-L58 HydrophobicContact CG1-CD1 4.29Å; I32-L58 HydrophobicContact CG2-CD1 3.68Å; I32-L58 HydrophobicContact CG2-CD2 4.06Å; I32-L58 HydrophobicContact CG2-CG 3.54Å; I32-P167 HydrophobicContact CD1-CG 4.37Å; I32-P167 HydrophobicContact CG1-CG 4.24Å; I32-P167 WeakPolarHBondContact CG1-O 3.36Å; I32-K169 HydrophobicContact CD1-CD 4.28Å; I32-K169 HydrophobicContact CD1-CG 3.74Å; I32-K169 HydrophobicContact CG1-CG 4.19Å
33	N	95.5	Very high	79.8	Confident	1 Å²	1	47 Å²	47	1%	0.005	28%	0.281	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-84.8	113.8	169.2	-48.9	-24.5	0	0	0	106.9	V36 V53 L55 S164 P167 T168 K169	N33-V36 HydrophobicContact CB-CG2 3.77Å; N33-V53 HydrophobicContact CB-CG1 4.31Å; N33-L55 VanDerWaalsContact OD1-CD2 3.26Å; N33-L55 WeakPolarHBondContact OD1-CD2 3.46Å; N33-S164 PolarHBondContact ND2-OG 2.79Å; N33-P167 PolarHBondContact N-O 2.97Å; N33-T168 HydrophobicContact CB-CG2 3.98Å; N33-T168 PolarHBondContact ND2-OG1 3Å; N33-T168 CarbonylContact O-C 3.53Å; N33-T168 WeakPolarHBondContact O-CA 3.47Å; N33-K169 PolarHBondContact O-N 3.34Å
34	E	95.1	Very high	82.8	Confident	40 Å²	40	42.1 Å²	42.1	19%	0.187	25%	0.247	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-76.7	-46.9	177.7	-70.9	-159.5	145.1	0	0	112	I32 V54 A56 K126 K169 T170	I32-E34 HydrophobicContact CG2-CG 4.45Å; I32-E34 PolarHBondContact O-N 3.23Å; E34-V54 HydrophobicContact CB-CB 4.49Å; E34-V54 HydrophobicContact CB-CG1 4.36Å; E34-V54 PolarHBondContact N-O 3.47Å; E34-A56 HydrophobicContact CG-CB 3.64Å; E34-K126 WeakPolarHBondContact OE1-CE 3.45Å; E34-K126 IonicContact OE1-NZ 3.99Å; E34-K126 PolarHBondContact OE1-NZ 3.44Å; E34-K126 VanDerWaalsContact OE2-CD 3.28Å; E34-K126 WeakPolarHBondContact OE2-CD 3.38Å; E34-K126 WeakPolarHBondContact OE2-CE 3.43Å; E34-K126 IonicContact OE2-NZ 3.13Å; E34-K126 PolarHBondContact OE2-NZ 3.47Å; E34-K169 HydrophobicContact CG-CD 4.35Å; E34-K169 WeakPolarHBondContact O-CB 3.06Å; E34-K169 IonicContact OE1-NZ 3.33Å; E34-K169 PolarHBondContact OE1-NZ 2.55Å; E34-T170 PolarHBondContact O-N 3.06Å; E34-T170 VanDerWaalsContact O-N 3.14Å; E34-T170 PolarHBondContact O-OG1 3.44Å
35	D	96.4	Very high	85.8	Confident	46 Å²	46	40.5 Å²	40.5	25%	0.246	23%	0.231	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-137.8	136	178.7	-170.5	23.3	0	0	0	108.9	K37 V54 T170	D35-K37 WeakPolarHBondContact OD2-CE 3.21Å; D35-K37 IonicContact OD2-NZ 3.69Å; D35-V54 HydrophobicContact CB-CB 4.35Å; D35-V54 HydrophobicContact CB-CG2 4.2Å; D35-V54 PolarHBondContact O-N 3.05Å; D35-T170 WeakPolarHBondContact CA-O 3.31Å; D35-T170 PolarHBondContact OD1-OG1 3.47Å
36	V	97.5	Very high	88.2	Confident	1 Å²	1	38.9 Å²	38.9	1%	0.006	22%	0.22	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-131.7	112.6	175.6	-179.4	0	0	0	0	108.8	N33 E52 V53 F162 T168 T170 Q171 T172	N33-V36 HydrophobicContact CB-CG2 3.77Å; V36-E52 WeakPolarHBondContact CA-O 3.36Å; V36-V53 HydrophobicContact CG1-CG2 4.36Å; V36-V53 HydrophobicContact CG2-CG1 4.24Å; V36-V53 HydrophobicContact CG2-CG2 4.41Å; V36-F162 HydrophobicContact CG1-CB 3.84Å; V36-F162 HydrophobicContact CG1-CD1 3.97Å; V36-F162 HydrophobicContact CG1-CD2 4.13Å; V36-F162 HydrophobicContact CG1-CG 3.73Å; V36-F162 HydrophobicContact CG2-CD1 4.01Å; V36-F162 HydrophobicContact CG2-CE1 4.49Å; V36-T168 HydrophobicContact CB-CG2 4.17Å; V36-T168 HydrophobicContact CG2-CG2 3.61Å; V36-T170 PolarHBondContact N-O 3.33Å; V36-Q171 HydrophobicContact CB-CB 3.96Å; V36-Q171 CarbonylContact O-C 3.51Å; V36-Q171 WeakPolarHBondContact O-CA 3.41Å; V36-T172 PolarHBondContact O-N 3.43Å
37	K	97.5	Very high	90.5	Very high	98 Å²	98	33.5 Å²	33.5	43%	0.426	18%	0.182	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-106.6	108.7	173.6	-61.8	178.5	-173.7	166.5	0	108.7	D35 A51 E52	D35-K37 WeakPolarHBondContact OD2-CE 3.21Å; D35-K37 IonicContact OD2-NZ 3.69Å; K37-A51 WeakPolarHBondContact O-CA 3.43Å; K37-E52 HydrophobicContact CB-CB 4.37Å; K37-E52 PolarHBondContact N-O 2.88Å; K37-E52 PolarHBondContact O-N 3.36Å
38	R	97.7	Very high	92.4	Very high	23 Å²	23	26.9 Å²	26.9	9%	0.087	15%	0.15	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-105.9	125.2	-179	-171.5	176.7	62.4	-169.8	-3.5	110.9	V40 V49 T50 A51 N159 H160 Y161 T172 M173 R174	R38-V40 HydrophobicContact CG-CG2 4.22Å; R38-V49 HydrophobicContact CG-CG1 3.6Å; R38-T50 CarbonylContact C-O 3.52Å; R38-T50 WeakPolarHBondContact CA-O 2.99Å; R38-A51 HydrophobicContact CG-CB 4.42Å; R38-N159 PolarHBondContact NH1-O 3.07Å; R38-N159 PolarHBondContact NH2-O 3.28Å; R38-H160 PolarHBondContact NH2-O 3.42Å; R38-Y161 VanDerWaalsContact NH1-C 3.32Å; R38-Y161 PolarHBondContact NH1-O 3.34Å; R38-T172 PolarHBondContact N-O 3.29Å; R38-M173 PolarHBondContact NH2-SD 2.91Å; R38-M173 CarbonylContact O-C 3.56Å; R38-M173 VanDerWaalsContact O-CA 3.3Å; R38-M173 WeakPolarHBondContact O-CA 3.1Å; R38-R174 PolarHBondContact O-N 2.93Å
39	T	97.7	Very high	94.2	Very high	61 Å²	61	25.6 Å²	25.6	37%	0.374	14%	0.138	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-110.3	124.5	171.2	-55.4	0	0	0	0	108.8	V49 T50 R174	T39-V49 WeakPolarHBondContact O-CA 3.34Å; T39-T50 PolarHBondContact N-O 3.47Å; T39-T50 PolarHBondContact O-N 2.78Å; T39-R174 CarbonylContact C-O 3.57Å; T39-R174 VanDerWaalsContact CA-O 3.31Å; T39-R174 WeakPolarHBondContact CA-O 3.4Å
40	V	97.8	Very high	95.7	Very high	6 Å²	6	26.5 Å²	26.5	4%	0.036	14%	0.142	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-111.8	109.2	178	-178.3	0	0	0	0	107.5	R38 L42 K48 V49 F156 M173 R174 V175 K176	R38-V40 HydrophobicContact CG-CG2 4.22Å; V40-L42 HydrophobicContact CG1-CD1 4.37Å; V40-L42 HydrophobicContact CG1-CD2 3.61Å; V40-L42 HydrophobicContact CG1-CG 3.89Å; V40-K48 CarbonylContact C-O 3.6Å; V40-K48 WeakPolarHBondContact CA-O 3.43Å; V40-V49 HydrophobicContact CG1-CG2 4.14Å; V40-V49 HydrophobicContact CG2-CG1 4.19Å; V40-V49 HydrophobicContact CG2-CG2 4.13Å; V40-F156 HydrophobicContact CG1-CE1 4.26Å; V40-M173 HydrophobicContact CG2-CG 4.45Å; V40-R174 PolarHBondContact N-O 3.45Å; V40-V175 HydrophobicContact CB-CG1 4.41Å; V40-V175 HydrophobicContact CB-CG2 4.35Å; V40-V175 CarbonylContact O-C 3.51Å; V40-V175 WeakPolarHBondContact O-CA 3.32Å; V40-K176 PolarHBondContact O-N 3.44Å
41	D	97.9	Very high	96.6	Very high	24 Å²	24	23.3 Å²	23.3	13%	0.128	12%	0.122	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-95.7	116.1	176	-166.3	-6	0	0	0	110.4	S43 K48 K176	D41-S43 VanDerWaalsContact OD1-CB 3.32Å; D41-S43 WeakPolarHBondContact OD1-CB 3.19Å; D41-S43 PolarHBondContact OD1-N 3.38Å; D41-S43 PolarHBondContact OD1-OG 3.48Å; D41-K48 HydrophobicContact CB-CB 4.39Å; D41-K48 PolarHBondContact N-O 3.4Å; D41-K48 PolarHBondContact O-N 3.01Å; D41-K176 IonicContact OD1-NZ 3.88Å; D41-K176 IonicContact OD2-NZ 2.91Å; D41-K176 PolarHBondContact OD2-NZ 3.23Å
42	L	97.9	Very high	96.9	Very high	0 Å²	0	25.5 Å²	25.5	0%	0	13%	0.132	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-116.5	21.7	178.7	-49.7	178.6	0	0	0	110.9	V40 S44 A47 L139 F156 V175 K176 L177 V216 Y218 N220	V40-L42 HydrophobicContact CG1-CD1 4.37Å; V40-L42 HydrophobicContact CG1-CD2 3.61Å; V40-L42 HydrophobicContact CG1-CG 3.89Å; L42-S44 PolarHBondContact O-N 3.34Å; L42-A47 HydrophobicContact CD2-CB 3.49Å; L42-A47 VanDerWaalsContact CD2-CB 3.49Å; L42-L139 HydrophobicContact CD2-CD2 4.35Å; L42-F156 HydrophobicContact CD1-CB 3.85Å; L42-F156 HydrophobicContact CD1-CD1 3.55Å; L42-F156 HydrophobicContact CD1-CE1 4.23Å; L42-F156 HydrophobicContact CD1-CG 3.75Å; L42-F156 HydrophobicContact CD2-CD1 4.15Å; L42-F156 HydrophobicContact CD2-CD2 4.15Å; L42-F156 HydrophobicContact CD2-CE1 4.24Å; L42-F156 HydrophobicContact CD2-CE2 4.24Å; L42-F156 HydrophobicContact CD2-CG 4.09Å; L42-F156 HydrophobicContact CD2-CZ 4.28Å; L42-V175 HydrophobicContact CD1-CG1 3.79Å; L42-V175 HydrophobicContact CG-CG1 4.24Å; L42-K176 PolarHBondContact N-O 3.41Å; L42-L177 HydrophobicContact CD1-CD2 4.26Å; L42-V216 HydrophobicContact CD1-CG1 3.91Å; L42-Y218 WeakPolarHBondContact CB-OH 3.5Å; L42-Y218 HydrophobicContact CD1-CE1 4.4Å; L42-Y218 PolarHBondContact O-OH 3.42Å; L42-N220 PolarHBondContact O-ND2 3.31Å
43	S	96.4	Very high	97	Very high	27 Å²	27	25 Å²	25	19%	0.189	13%	0.13	C	C	.	.	S	Bend	trans	-68.3	-24.2	-179.7	66.8	0	0	0	0	113.5	D41 A178 S222	D41-S43 VanDerWaalsContact OD1-CB 3.32Å; D41-S43 WeakPolarHBondContact OD1-CB 3.19Å; D41-S43 PolarHBondContact OD1-N 3.38Å; D41-S43 PolarHBondContact OD1-OG 3.48Å; S43-A178 WeakPolarHBondContact O-CB 3.24Å; S43-S222 PolarHBondContact O-OG 2.98Å
44	S	96.6	Very high	97	Very high	2 Å²	2	26.2 Å²	26.2	1%	0.014	14%	0.137	C	C	.	.	S	Bend	trans	-102.6	-163.3	-178.4	71.1	0	0	0	0	112.4	L42 L46 L139 N220 E362	L42-S44 PolarHBondContact O-N 3.34Å; S44-L46 VanDerWaalsContact C-N 3.25Å; S44-L46 PolarHBondContact OG-N 3Å; S44-L139 WeakPolarHBondContact O-CD1 3.45Å; S44-N220 PolarHBondContact O-ND2 3.22Å; S44-E362 VanDerWaalsContact CB-OE1 3.3Å; S44-E362 WeakPolarHBondContact CB-OE1 3.17Å; S44-E362 WeakPolarHBondContact CB-OE2 3.44Å; S44-E362 PolarHBondContact OG-OE1 3.1Å; S44-E362 PolarHBondContact OG-OE2 3.43Å
45	H	96.3	Very high	96.9	Very high	11 Å²	11	24.4 Å²	24.4	5%	0.051	13%	0.129	C	C	.	.	S	Bend	trans	-84.1	-2.9	171	67.6	97.6	0	0	0	112.7	F224 L225 E362 V364	H45-F224 HydrophobicContact CB-CB 4.24Å; H45-F224 HydrophobicContact CB-CD1 3.7Å; H45-F224 HydrophobicContact CB-CD2 3.75Å; H45-F224 HydrophobicContact CB-CE1 3.88Å; H45-F224 HydrophobicContact CB-CE2 3.94Å; H45-F224 HydrophobicContact CB-CG 3.63Å; H45-F224 HydrophobicContact CB-CZ 4Å; H45-L225 PolarHBondContact CE1-O 3.27Å; H45-E362 PolarHBondContact CE1-O 3.07Å; H45-E362 PolarHBondContact NE2-O 3.17Å; H45-V364 WeakPolarHBondContact CE1-CG1 3.06Å
46	L	97.5	Very high	96.8	Very high	5 Å²	5	22.5 Å²	22.5	3%	0.026	12%	0.12	C	C	.	.	S	Bend	trans	-101.7	161.5	177	-57	175.7	0	0	0	111	S44 V134 T136 E362 V364	S44-L46 VanDerWaalsContact C-N 3.25Å; S44-L46 PolarHBondContact OG-N 3Å; L46-V134 HydrophobicContact CB-CG1 4.46Å; L46-V134 HydrophobicContact CD1-CG1 4.15Å; L46-T136 HydrophobicContact CD2-CG2 3.66Å; L46-E362 HydrophobicContact CD1-CB 4.13Å; L46-V364 HydrophobicContact CD2-CB 4.38Å
47	A	97.8	Very high	96.4	Very high	0 Å²	0	22.7 Å²	22.7	0%	0	12%	0.12	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-111.5	110.1	162.6	0	0	0	0	0	109.5	L42 Y135 V138 F156	L42-A47 HydrophobicContact CD2-CB 3.49Å; L42-A47 VanDerWaalsContact CD2-CB 3.49Å; A47-Y135 PolarHBondContact N-O 3.47Å; A47-Y135 PolarHBondContact O-N 3.02Å; A47-V138 HydrophobicContact CB-CG2 3.51Å; A47-F156 HydrophobicContact CB-CD2 4.37Å; A47-F156 HydrophobicContact CB-CE2 3.72Å; A47-F156 HydrophobicContact CB-CZ 4.2Å
48	K	98	Very high	95.5	Very high	45 Å²	45	23.1 Å²	23.1	20%	0.196	13%	0.127	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-100.4	123.4	177.7	-59.7	177.2	-64	-168.8	0	108.6	V40 D41 V134 E362	V40-K48 CarbonylContact C-O 3.6Å; V40-K48 WeakPolarHBondContact CA-O 3.43Å; D41-K48 HydrophobicContact CB-CB 4.39Å; D41-K48 PolarHBondContact N-O 3.4Å; D41-K48 PolarHBondContact O-N 3.01Å; K48-V134 HydrophobicContact CG-CG1 4.32Å; K48-V134 HydrophobicContact CG-CG2 4.32Å; K48-E362 WeakPolarHBondContact CE-OE1 3.38Å; K48-E362 IonicContact NZ-OE1 3.25Å; K48-E362 PolarHBondContact NZ-OE1 3.34Å
49	V	97.4	Very high	94.1	Very high	19 Å²	19	22.8 Å²	22.8	12%	0.115	13%	0.131	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-121.2	117.5	-176.9	-177.1	0	0	0	0	109.1	R38 T39 V40 E132 T133 Y135	R38-V49 HydrophobicContact CG-CG1 3.6Å; T39-V49 WeakPolarHBondContact O-CA 3.34Å; V40-V49 HydrophobicContact CG1-CG2 4.14Å; V40-V49 HydrophobicContact CG2-CG1 4.19Å; V40-V49 HydrophobicContact CG2-CG2 4.13Å; V49-E132 CarbonylContact O-C 3.55Å; V49-E132 WeakPolarHBondContact O-CA 3.48Å; V49-T133 PolarHBondContact N-O 3.28Å; V49-T133 PolarHBondContact O-N 3.28Å; V49-Y135 HydrophobicContact CG2-CD2 4.29Å; V49-Y135 HydrophobicContact CG2-CE2 4.04Å
50	T	97.3	Very high	92.6	Very high	55 Å²	55	22 Å²	22	34%	0.337	13%	0.134	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-111.7	119.1	175.2	-48.9	0	0	0	0	108.9	R38 T39 I130 V131	R38-T50 CarbonylContact C-O 3.52Å; R38-T50 WeakPolarHBondContact CA-O 2.99Å; T39-T50 PolarHBondContact N-O 3.47Å; T39-T50 PolarHBondContact O-N 2.78Å; T50-I130 HydrophobicContact CG2-CG2 3.63Å; T50-V131 CarbonylContact C-O 3.58Å; T50-V131 WeakPolarHBondContact CA-O 3.46Å
51	A	97.1	Very high	91	Very high	3 Å²	3	28 Å²	28	3%	0.025	18%	0.177	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-113.4	112.4	175.9	0	0	0	0	0	110.4	K37 R38 V53 V131 F162	K37-A51 WeakPolarHBondContact O-CA 3.43Å; R38-A51 HydrophobicContact CG-CB 4.42Å; A51-V53 HydrophobicContact CB-CG2 4.15Å; A51-V53 PolarHBondContact O-N 2.97Å; A51-V131 HydrophobicContact CB-CB 4.44Å; A51-V131 PolarHBondContact N-O 3.28Å; A51-V131 PolarHBondContact O-N 2.8Å; A51-F162 HydrophobicContact CB-CD2 4.23Å; A51-F162 HydrophobicContact CB-CE2 3.83Å
52	E	96.7	Very high	89.2	Confident	51 Å²	51	32.3 Å²	32.3	24%	0.238	21%	0.209	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-82.1	108.5	167.2	-173.8	-178.2	-165.8	0	0	108	V36 K37 K89	V36-E52 WeakPolarHBondContact CA-O 3.36Å; K37-E52 HydrophobicContact CB-CB 4.37Å; K37-E52 PolarHBondContact N-O 2.88Å; K37-E52 PolarHBondContact O-N 3.36Å; E52-K89 IonicContact OE1-NZ 2.79Å; E52-K89 PolarHBondContact OE1-NZ 2.94Å
53	V	95.9	Very high	87.9	Confident	6 Å²	6	34.4 Å²	34.4	4%	0.036	22%	0.222	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-109.4	122.6	-175.4	-175.8	0	0	0	0	109.7	N33 V36 A51 L55 S128 V129 V131 F162	N33-V53 HydrophobicContact CB-CG1 4.31Å; V36-V53 HydrophobicContact CG1-CG2 4.36Å; V36-V53 HydrophobicContact CG2-CG1 4.24Å; V36-V53 HydrophobicContact CG2-CG2 4.41Å; A51-V53 HydrophobicContact CB-CG2 4.15Å; A51-V53 PolarHBondContact O-N 2.97Å; V53-L55 HydrophobicContact CG1-CD2 3.75Å; V53-L55 HydrophobicContact CG1-CG 3.97Å; V53-S128 WeakPolarHBondContact O-CA 3.17Å; V53-V129 PolarHBondContact N-O 3.35Å; V53-V129 PolarHBondContact O-N 3.4Å; V53-V131 HydrophobicContact CG2-CG2 4.41Å; V53-F162 HydrophobicContact CG2-CE1 3.97Å; V53-F162 HydrophobicContact CG2-CE2 4.47Å; V53-F162 HydrophobicContact CG2-CZ 3.79Å
54	V	95.5	Very high	87	Confident	27 Å²	27	37.9 Å²	37.9	16%	0.164	25%	0.246	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-95.5	101.9	169.7	-176.1	0	0	0	0	108.7	E34 D35 K126	E34-V54 HydrophobicContact CB-CB 4.49Å; E34-V54 HydrophobicContact CB-CG1 4.36Å; E34-V54 PolarHBondContact N-O 3.47Å; D35-V54 HydrophobicContact CB-CB 4.35Å; D35-V54 HydrophobicContact CB-CG2 4.2Å; D35-V54 PolarHBondContact O-N 3.05Å; V54-K126 HydrophobicContact CG1-CB 4.5Å
55	L	93	Very high	86.4	Confident	3 Å²	3	45.4 Å²	45.4	2%	0.016	27%	0.274	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-84.5	132.7	177	-63.2	170	0	0	0	109.6	N33 V53 F69 K126 I127 V129	N33-L55 VanDerWaalsContact OD1-CD2 3.26Å; N33-L55 WeakPolarHBondContact OD1-CD2 3.46Å; V53-L55 HydrophobicContact CG1-CD2 3.75Å; V53-L55 HydrophobicContact CG1-CG 3.97Å; L55-F69 HydrophobicContact CD1-CB 4.11Å; L55-F69 HydrophobicContact CD1-CD1 3.85Å; L55-F69 HydrophobicContact CD1-CD2 4.08Å; L55-F69 HydrophobicContact CD1-CE1 4.23Å; L55-F69 HydrophobicContact CD1-CE2 4.45Å; L55-F69 HydrophobicContact CD1-CG 3.76Å; L55-K126 CarbonylContact O-C 3.57Å; L55-K126 VanDerWaalsContact O-CA 3.22Å; L55-K126 WeakPolarHBondContact O-CA 3.34Å; L55-I127 HydrophobicContact CB-CG2 3.87Å; L55-I127 HydrophobicContact CD1-CG2 4.26Å; L55-I127 PolarHBondContact N-O 2.89Å; L55-I127 PolarHBondContact O-N 3.34Å; L55-V129 HydrophobicContact CD1-CG2 4.13Å
56	A	92.4	Very high	85.8	Confident	6 Å²	6	45.1 Å²	45.1	5%	0.05	27%	0.274	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-124.2	145.3	170.5	0	0	0	0	0	110.9	L31 I32 E34 K126	L31-A56 WeakPolarHBondContact CA-O 3.33Å; I32-A56 HydrophobicContact CG2-CB 3.91Å; I32-A56 PolarHBondContact N-O 3.33Å; I32-A56 PolarHBondContact O-N 3.16Å; E34-A56 HydrophobicContact CG-CB 3.64Å; A56-K126 HydrophobicContact CB-CG 4.02Å
57	H	89.4	Confident	85.4	Confident	4 Å²	4	49 Å²	49	2%	0.019	30%	0.298	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-94.3	114.8	177.1	-165.4	-9.9	0	0	0	111	P30 L31 G59 S64 L121 D122 G124 A125	P30-H57 PolarHBondContact O-ND1 3.12Å; L31-H57 HydrophobicContact CD2-CB 4.05Å; H57-G59 PolarHBondContact ND1-N 3.27Å; H57-G59 VanDerWaalsContact ND1-N 3.2Å; H57-G59 PolarHBondContact O-N 2.91Å; H57-S64 PolarHBondContact NE2-O 3.1Å; H57-L121 HydrophobicContact CB-CD2 4Å; H57-L121 HydrophobicContact CB-CG 4.22Å; H57-L121 PolarHBondContact CD2-O 2.7Å; H57-D122 WeakPolarHBondContact CB-O 3.46Å; H57-G124 PolarHBondContact O-N 3.3Å; H57-A125 PolarHBondContact N-O 3.17Å
58	L	78.2	Confident	85.1	Confident	107 Å²	107	50.5 Å²	50.5	56%	0.56	31%	0.308	S	S	*	.			trans	-81.1	4.1	-179.3	-76.7	169.1	0	0	0	114.5	P30 I32	P30-L58 PolarHBondContact O-N 3.24Å; I32-L58 HydrophobicContact CB-CD1 3.55Å; I32-L58 HydrophobicContact CB-CG 4Å; I32-L58 HydrophobicContact CD1-CD1 3.86Å; I32-L58 HydrophobicContact CG1-CD1 4.29Å; I32-L58 HydrophobicContact CG2-CD1 3.68Å; I32-L58 HydrophobicContact CG2-CD2 4.06Å; I32-L58 HydrophobicContact CG2-CG 3.54Å
59	G	69.3	Low	84.7	Confident	17 Å²	17	48.7 Å²	48.7	18%	0.175	30%	0.3	C	S	.	.			trans	-62.3	148.1	-176.1	0	0	0	0	0	112.5	H57 T63 P123	H57-G59 PolarHBondContact ND1-N 3.27Å; H57-G59 VanDerWaalsContact ND1-N 3.2Å; H57-G59 PolarHBondContact O-N 2.91Å; G59-T63 WeakPolarHBondContact CA-OG1 3.47Å; G59-P123 WeakPolarHBondContact O-CB 3.5Å
60	G	66.9	Low	84.5	Confident	43 Å²	43	48.4 Å²	48.4	44%	0.443	30%	0.298	S	S	.	.			trans	-73.3	173.1	158.9	0	0	0	0	0	110.1	S62 T63	G60-S62 PolarHBondContact O-N 3.28Å; G60-T63 PolarHBondContact N-OG1 3.01Å; G60-T63 PolarHBondContact O-N 3.18Å; G60-T63 PolarHBondContact O-OG1 2.91Å
61	S	63.1	Low	84.4	Confident	133 Å²	133	46.3 Å²	46.3	93%	0.93	29%	0.285	S	S	*	.	T	Hydrogen-bonded Turn	trans	-57.7	-12.9	177.7	55.2	0	0	0	0	114.5
62	S	61.5	Low	84.2	Confident	115 Å²	115	46.6 Å²	46.6	80%	0.804	29%	0.287	S	S	*	.	T	Hydrogen-bonded Turn	trans	-87.4	-8.2	175.5	60.6	0	0	0	0	114.6	G60	G60-S62 PolarHBondContact O-N 3.28Å
63	T	70.5	Confident	84.1	Confident	43 Å²	43	44.5 Å²	44.5	26%	0.264	28%	0.277	S	S	.	.	S	Bend	trans	-85.7	133.5	-178.9	-51.9	0	0	0	0	110.4	P30 G59 G60	P30-T63 HydrophobicContact CG-CG2 3.94Å; G59-T63 WeakPolarHBondContact CA-OG1 3.47Å; G60-T63 PolarHBondContact N-OG1 3.01Å; G60-T63 PolarHBondContact O-N 3.18Å; G60-T63 PolarHBondContact O-OG1 2.91Å
64	S	76.4	Confident	83.8	Confident	100 Å²	100	45.2 Å²	45.2	70%	0.699	28%	0.28	S	S	*	.	P	Polyproline II helix	trans	-61.1	141.6	176	54.7	0	0	0	0	111	H57 A66	H57-S64 PolarHBondContact NE2-O 3.1Å; S64-A66 PolarHBondContact O-N 3.49Å
65	R	83.5	Confident	83.6	Confident	161 Å²	161	47 Å²	47	61%	0.608	29%	0.292	S	S	*	.	P	Polyproline II helix	trans	-51.3	136.3	174.5	-56.1	-175	-76.6	-173.2	-6.7	111	T67 A120 L121 D122	R65-T67 PolarHBondContact O-N 3.27Å; R65-A120 HydrophobicContact CB-CB 3.85Å; R65-L121 WeakPolarHBondContact CA-O 3.41Å; R65-D122 WeakPolarHBondContact CD-OD1 3.45Å; R65-D122 WeakPolarHBondContact CG-OD1 3.37Å
66	A	85	Confident	83.4	Confident	5 Å²	5	51.4 Å²	51.4	4%	0.041	31%	0.313	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-83.6	114.1	178.2	0	0	0	0	0	109.9	P29 L31 S64 A120 L121	P29-A66 HydrophobicContact CB-CB 4.11Å; P29-A66 HydrophobicContact CG-CB 4.37Å; L31-A66 HydrophobicContact CD2-CB 3.98Å; S64-A66 PolarHBondContact O-N 3.49Å; A66-A120 CarbonylContact O-C 3.59Å; A66-A120 WeakPolarHBondContact O-CA 3.45Å; A66-L121 HydrophobicContact CB-CB 4.37Å; A66-L121 PolarHBondContact N-O 3.33Å; A66-L121 PolarHBondContact O-N 3.4Å
67	T	88.6	Confident	83.5	Confident	87 Å²	87	51.8 Å²	51.8	53%	0.534	31%	0.314	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-93	-10.4	-180	55.2	0	0	0	0	113.4	R65 L117 A120	R65-T67 PolarHBondContact O-N 3.27Å; T67-L117 PolarHBondContact O-N 3.17Å; T67-A120 HydrophobicContact CG2-CB 3.85Å
68	S	91	Very high	83.6	Confident	31 Å²	31	54 Å²	54	22%	0.217	32%	0.324	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-151.9	161.2	-177.7	54.9	0	0	0	0	110.6	P29 V115	P29-S68 WeakPolarHBondContact CG-O 3.38Å; S68-V115 CarbonylContact C-O 3.55Å; S68-V115 WeakPolarHBondContact CA-O 3.45Å; S68-V115 WeakPolarHBondContact CB-O 3.39Å
69	F	91.2	Very high	84.4	Confident	7 Å²	7	53.1 Å²	53.1	3%	0.031	33%	0.332	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-132	163.7	169.6	75.3	-86.7	0	0	0	110.5	L31 L55 L71 V86 V115 L117 V129 Y166	L31-F69 HydrophobicContact CD1-CB 3.69Å; L55-F69 HydrophobicContact CD1-CB 4.11Å; L55-F69 HydrophobicContact CD1-CD1 3.85Å; L55-F69 HydrophobicContact CD1-CD2 4.08Å; L55-F69 HydrophobicContact CD1-CE1 4.23Å; L55-F69 HydrophobicContact CD1-CE2 4.45Å; L55-F69 HydrophobicContact CD1-CG 3.76Å; F69-L71 HydrophobicContact CD2-CG 4.31Å; F69-L71 HydrophobicContact CE2-CD1 4.1Å; F69-L71 HydrophobicContact CE2-CD2 3.8Å; F69-L71 HydrophobicContact CE2-CG 3.65Å; F69-L71 HydrophobicContact CZ-CG 4.5Å; F69-V86 HydrophobicContact CE1-CG1 4.48Å; F69-V86 HydrophobicContact CZ-CG1 3.94Å; F69-V115 HydrophobicContact CD1-CB 3.81Å; F69-V115 HydrophobicContact CD1-CG1 4.23Å; F69-V115 HydrophobicContact CE1-CB 3.36Å; F69-V115 HydrophobicContact CE1-CG1 3.45Å; F69-V115 VanDerWaalsContact CE1-CG1 3.45Å; F69-V115 HydrophobicContact CE1-CG2 3.96Å; F69-V115 HydrophobicContact CE2-CB 4.2Å; F69-V115 HydrophobicContact CE2-CG2 3.95Å; F69-V115 HydrophobicContact CG-CB 4.41Å; F69-V115 HydrophobicContact CZ-CB 3.58Å; F69-V115 HydrophobicContact CZ-CG1 3.83Å; F69-V115 HydrophobicContact CZ-CG2 3.59Å; F69-V115 PolarHBondContact N-O 3.21Å; F69-V115 PolarHBondContact O-N 3.06Å; F69-L117 HydrophobicContact CD1-CD2 3.65Å; F69-L117 HydrophobicContact CD1-CG 4.18Å; F69-L117 HydrophobicContact CE1-CD2 3.91Å; F69-V129 HydrophobicContact CE1-CG1 4.12Å; F69-V129 HydrophobicContact CE1-CG2 4.3Å; F69-V129 HydrophobicContact CZ-CG1 3.8Å; F69-Y166 HydrophobicContact CB-CE2 4.4Å
70	L	93.1	Very high	85.6	Confident	12 Å²	12	58 Å²	58	6%	0.063	35%	0.345	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-111.7	128.8	-173	-174.7	74.6	0	0	0	110.7	A28 T103 I105 F112 F113 I114 P165 Y166	A28-L70 HydrophobicContact CB-CD2 4.21Å; L70-T103 HydrophobicContact CD1-CG2 3.8Å; L70-I105 HydrophobicContact CD1-CD1 4.06Å; L70-I105 HydrophobicContact CD1-CG1 4.48Å; L70-I105 HydrophobicContact CD2-CD1 3.23Å; L70-I105 HydrophobicContact CD2-CG1 4.27Å; L70-I105 HydrophobicContact CG-CD1 4.14Å; L70-F112 HydrophobicContact CD1-CB 4.1Å; L70-F113 CarbonylContact C-O 3.53Å; L70-F113 WeakPolarHBondContact CA-O 3.3Å; L70-I114 HydrophobicContact CD1-CG1 3.97Å; L70-P165 HydrophobicContact CB-CG 3.97Å; L70-P165 HydrophobicContact CD2-CB 3.9Å; L70-P165 HydrophobicContact CD2-CG 3.71Å; L70-P165 HydrophobicContact CG-CG 3.98Å; L70-P165 VanDerWaalsContact O-CG 3.3Å; L70-P165 WeakPolarHBondContact O-CG 3.48Å; L70-Y166 HydrophobicContact CB-CE2 4.36Å; L70-Y166 WeakPolarHBondContact CB-OH 3.41Å; L70-Y166 PolarHBondContact N-OH 3.49Å; L70-Y166 WeakPolarHBondContact O-CE2 3.44Å
71	L	93.7	Very high	87	Confident	12 Å²	12	56.9 Å²	56.9	6%	0.063	33%	0.329	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-102.3	146.6	169.3	-71.5	170.3	0	0	0	110.2	F69 L84 V86 F112 F113 V115 V131	F69-L71 HydrophobicContact CD2-CG 4.31Å; F69-L71 HydrophobicContact CE2-CD1 4.1Å; F69-L71 HydrophobicContact CE2-CD2 3.8Å; F69-L71 HydrophobicContact CE2-CG 3.65Å; F69-L71 HydrophobicContact CZ-CG 4.5Å; L71-L84 HydrophobicContact CD1-CD2 4.12Å; L71-V86 HydrophobicContact CD1-CG2 3.68Å; L71-F112 CarbonylContact O-C 3.53Å; L71-F112 VanDerWaalsContact O-CA 3.29Å; L71-F112 WeakPolarHBondContact O-CA 3.34Å; L71-F113 HydrophobicContact CB-CB 4.24Å; L71-F113 PolarHBondContact N-O 3.25Å; L71-F113 PolarHBondContact O-N 2.91Å; L71-V115 HydrophobicContact CD1-CG2 3.66Å; L71-V115 HydrophobicContact CG-CG2 4.23Å; L71-V131 HydrophobicContact CD1-CG1 4.01Å; L71-V131 HydrophobicContact CD1-CG2 4.33Å; L71-V131 HydrophobicContact CD2-CG1 4.17Å; L71-V131 HydrophobicContact CD2-CG2 3.99Å
72	A	93.6	Very high	88.6	Confident	8 Å²	8	51.2 Å²	51.2	7%	0.066	29%	0.29	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-127.2	144	175.5	0	0	0	0	0	108.9	F112 Y163 Y209	A72-F112 HydrophobicContact CB-CD1 3.66Å; A72-F112 HydrophobicContact CB-CE1 3.61Å; A72-Y163 HydrophobicContact CB-CD1 3.88Å; A72-Y163 HydrophobicContact CB-CE1 3.76Å; A72-Y209 HydrophobicContact CB-CE1 4.49Å
73	L	93.4	Very high	90.2	Very high	8 Å²	8	47.5 Å²	47.5	4%	0.042	26%	0.26	C	S	.	.			trans	-104	142.7	170.3	-62.8	-178.2	0	0	0	110.5	E78 L81 L84 R111 F113 Y163	L73-E78 HydrophobicContact CB-CB 4.15Å; L73-E78 HydrophobicContact CD1-CB 4.48Å; L73-L81 HydrophobicContact CD1-CB 4.27Å; L73-L81 HydrophobicContact CD1-CD1 4.16Å; L73-L81 HydrophobicContact CD1-CD2 3.51Å; L73-L81 HydrophobicContact CD1-CG 4.18Å; L73-L81 HydrophobicContact CD2-CD1 4.42Å; L73-L84 HydrophobicContact CD2-CD1 4.37Å; L73-R111 HydrophobicContact CD1-CB 4.4Å; L73-R111 PolarHBondContact N-O 3.5Å; L73-R111 VanDerWaalsContact N-O 3.16Å; L73-F113 HydrophobicContact CD1-CE2 3.54Å; L73-F113 HydrophobicContact CD1-CZ 4.2Å; L73-F113 HydrophobicContact CG-CD2 4.43Å; L73-F113 HydrophobicContact CG-CE2 3.85Å; L73-Y163 VanDerWaalsContact C-CD1 3.47Å; L73-Y163 WeakPolarHBondContact O-CE1 3.48Å
74	E	91.4	Very high	91.4	Very high	20 Å²	20	46.6 Å²	46.6	9%	0.093	25%	0.254	C	S	.	.			trans	-59.5	137	170.2	54.1	-75.7	166.2	0	0	111.2	E76 L77 E78 Y135 Y163	E74-E76 PolarHBondContact O-N 3.37Å; E74-E76 VanDerWaalsContact O-N 3.09Å; E74-L77 HydrophobicContact CG-CB 3.83Å; E74-L77 HydrophobicContact CG-CD1 4.02Å; E74-L77 HydrophobicContact CG-CG 3.88Å; E74-L77 PolarHBondContact O-N 2.87Å; E74-L77 VanDerWaalsContact O-N 3.16Å; E74-L77 WeakPolarHBondContact OE1-CB 3.32Å; E74-L77 VanDerWaalsContact OE1-CD1 3.3Å; E74-L77 WeakPolarHBondContact OE1-CD1 3.37Å; E74-E78 PolarHBondContact O-N 3.21Å; E74-E78 VanDerWaalsContact O-N 3.09Å; E74-Y135 VanDerWaalsContact OE1-CZ 3.32Å; E74-Y135 PolarHBondContact OE1-OH 3.15Å; E74-Y163 HydrophobicContact CB-CD1 4.43Å; E74-Y163 HydrophobicContact CB-CG 4.44Å
75	P	89.7	Confident	92.2	Very high	64 Å²	64	42.6 Å²	42.6	42%	0.416	23%	0.228	S	C	.	.	T	Hydrogen-bonded Turn	trans	-58.5	-25.7	-179.8	-26	34.6	0	0	0	114.2
76	E	90.6	Very high	92.7	Very high	96 Å²	96	35 Å²	35	45%	0.449	20%	0.2	S	C	.	.	T	Hydrogen-bonded Turn	trans	-72.4	-30.8	-178.5	-68.2	171.5	-157.7	0	0	112.7	E74 Q211	E74-E76 PolarHBondContact O-N 3.37Å; E74-E76 VanDerWaalsContact O-N 3.09Å; E76-Q211 PolarHBondContact OE1-NE2 3.33Å
77	L	93.5	Very high	93	Very high	14 Å²	14	36.6 Å²	36.6	7%	0.073	21%	0.206	C	C	.	.	T	Hydrogen-bonded Turn	trans	-113.5	-7.8	-173.7	-57.3	-179.3	0	0	0	113.7	E74 A79 R80 L81 Y135 V138	E74-L77 HydrophobicContact CG-CB 3.83Å; E74-L77 HydrophobicContact CG-CD1 4.02Å; E74-L77 HydrophobicContact CG-CG 3.88Å; E74-L77 PolarHBondContact O-N 2.87Å; E74-L77 VanDerWaalsContact O-N 3.16Å; E74-L77 WeakPolarHBondContact OE1-CB 3.32Å; E74-L77 VanDerWaalsContact OE1-CD1 3.3Å; E74-L77 WeakPolarHBondContact OE1-CD1 3.37Å; L77-A79 PolarHBondContact O-N 3.46Å; L77-A79 VanDerWaalsContact O-N 3.09Å; L77-R80 PolarHBondContact O-N 2.92Å; L77-L81 PolarHBondContact O-N 2.89Å; L77-Y135 HydrophobicContact CB-CD1 3.79Å; L77-Y135 HydrophobicContact CB-CE1 3.57Å; L77-Y135 HydrophobicContact CD1-CE1 4.49Å; L77-Y135 HydrophobicContact CD1-CE2 4.49Å; L77-V138 HydrophobicContact CD2-CG1 3.86Å
78	E	92.4	Very high	93.1	Very high	52 Å²	52	33.7 Å²	33.7	24%	0.243	19%	0.188	C	C	.	.	T	Hydrogen-bonded Turn	trans	-57.9	-29.4	-175.4	71.8	174.7	-170	0	0	114.5	L73 E74 G110 R111	L73-E78 HydrophobicContact CB-CB 4.15Å; L73-E78 HydrophobicContact CD1-CB 4.48Å; E74-E78 PolarHBondContact O-N 3.21Å; E74-E78 VanDerWaalsContact O-N 3.09Å; E78-G110 VanDerWaalsContact OE2-CA 3.29Å; E78-G110 WeakPolarHBondContact OE2-CA 3.44Å; E78-R111 HydrophobicContact CB-CB 4.47Å; E78-R111 HydrophobicContact CB-CG 4.32Å; E78-R111 PolarHBondContact O-NH1 3.19Å; E78-R111 PolarHBondContact OE2-N 3.5Å
79	A	93.4	Very high	92.5	Very high	87 Å²	87	38.1 Å²	38.1	72%	0.719	20%	0.203	S	C	*	.	T	Hydrogen-bonded Turn	trans	-82.2	-14.5	178.1	0	0	0	0	0	113.5	L77	L77-A79 PolarHBondContact O-N 3.46Å; L77-A79 VanDerWaalsContact O-N 3.09Å
80	R	95.5	Very high	91.6	Very high	119 Å²	119	40.1 Å²	40.1	45%	0.449	23%	0.226	S	C	.	.	T	Hydrogen-bonded Turn	trans	-104.9	0.2	-177.9	-63.2	-58.4	-175.9	178.5	1	113.2	L77 A82 Y135 T136 V138	L77-R80 PolarHBondContact O-N 2.92Å; R80-A82 PolarHBondContact O-N 3.39Å; R80-Y135 WeakPolarHBondContact O-CA 3.36Å; R80-T136 WeakPolarHBondContact CB-O 3.27Å; R80-T136 PolarHBondContact O-N 2.73Å; R80-T136 PolarHBondContact O-OG1 2.88Å; R80-V138 HydrophobicContact CB-CG1 3.73Å; R80-V138 HydrophobicContact CG-CG1 4.04Å
81	L	96.3	Very high	90	Very high	21 Å²	21	49 Å²	49	11%	0.11	27%	0.267	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-64.6	122.9	175.2	-172.5	81.2	0	0	0	110.5	L73 L77 H83 L84 F113 T133 Y135 N415	L73-L81 HydrophobicContact CD1-CB 4.27Å; L73-L81 HydrophobicContact CD1-CD1 4.16Å; L73-L81 HydrophobicContact CD1-CD2 3.51Å; L73-L81 HydrophobicContact CD1-CG 4.18Å; L73-L81 HydrophobicContact CD2-CD1 4.42Å; L77-L81 PolarHBondContact O-N 2.89Å; L81-H83 WeakPolarHBondContact CD1-O 3.44Å; L81-L84 HydrophobicContact CD1-CB 4.48Å; L81-L84 HydrophobicContact CD2-CB 4.22Å; L81-F113 HydrophobicContact CD2-CE2 4.49Å; L81-F113 HydrophobicContact CD2-CZ 4.15Å; L81-T133 HydrophobicContact CD1-CG2 4.09Å; L81-Y135 HydrophobicContact CB-CD1 4.27Å; L81-Y135 HydrophobicContact CB-CE1 4.25Å; L81-Y135 HydrophobicContact CD1-CD1 4.11Å; L81-Y135 HydrophobicContact CD1-CE1 3.68Å; L81-N415 VanDerWaalsContact C-ND2 3.28Å; L81-N415 PolarHBondContact O-ND2 3.3Å
82	A	96	Very high	88.3	Confident	13 Å²	13	53.9 Å²	53.9	11%	0.107	29%	0.293	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-95.4	-51.6	170.1	0	0	0	0	0	111.1	R80 V134 T136 N415 V417 H420	R80-A82 PolarHBondContact O-N 3.39Å; A82-V134 PolarHBondContact N-O 2.69Å; A82-T136 HydrophobicContact CB-CG2 3.63Å; A82-N415 VanDerWaalsContact CA-ND2 3.34Å; A82-N415 WeakPolarHBondContact CA-ND2 3.41Å; A82-N415 PolarHBondContact N-ND2 3.18Å; A82-V417 HydrophobicContact CB-CB 4.43Å; A82-V417 HydrophobicContact CB-CG1 3.57Å; A82-V417 HydrophobicContact CB-CG2 3.98Å; A82-H420 PolarHBondContact O-CE1 3.01Å; A82-H420 PolarHBondContact O-NE2 2.79Å
83	H	95.1	Very high	86.7	Confident	37 Å²	37	60 Å²	60	17%	0.171	32%	0.321	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-133.5	144.3	-175.3	-176.1	76	0	0	0	111.2	L81 G85 T133 V134 V417 Q419	L81-H83 WeakPolarHBondContact CD1-O 3.44Å; H83-G85 PolarHBondContact NE2-N 3.04Å; H83-T133 WeakPolarHBondContact O-CA 3.5Å; H83-V134 HydrophobicContact CB-CB 4.24Å; H83-V134 HydrophobicContact CB-CG2 4.34Å; H83-V134 PolarHBondContact N-O 3.2Å; H83-V134 PolarHBondContact O-N 3.42Å; H83-V417 HydrophobicContact CB-CG2 3.88Å; H83-Q419 HydrophobicContact CB-CB 4.48Å
84	L	95.1	Very high	84.9	Confident	25 Å²	25	68 Å²	68	13%	0.131	36%	0.358	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-136.8	109.8	169.7	-175.1	168.7	0	0	0	107.4	L71 L73 L81 V86 V100 F113 E132 T133	L71-L84 HydrophobicContact CD1-CD2 4.12Å; L73-L84 HydrophobicContact CD2-CD1 4.37Å; L81-L84 HydrophobicContact CD1-CB 4.48Å; L81-L84 HydrophobicContact CD2-CB 4.22Å; L84-V86 HydrophobicContact CD2-CG2 3.66Å; L84-V100 HydrophobicContact CD2-CB 4.42Å; L84-V100 HydrophobicContact CD2-CG1 3.85Å; L84-V100 HydrophobicContact CD2-CG2 4.01Å; L84-F113 HydrophobicContact CD1-CD1 4.47Å; L84-F113 HydrophobicContact CD1-CD2 3.59Å; L84-F113 HydrophobicContact CD1-CE2 3.83Å; L84-F113 HydrophobicContact CD1-CG 3.96Å; L84-F113 HydrophobicContact CD1-CZ 4.35Å; L84-E132 CarbonylContact C-O 3.53Å; L84-E132 WeakPolarHBondContact CA-O 3.2Å; L84-T133 HydrophobicContact CB-CG2 4.24Å; L84-T133 HydrophobicContact CD1-CG2 4.29Å; L84-T133 HydrophobicContact CG-CG2 3.87Å
85	G	93.5	Very high	83.5	Confident	15 Å²	15	74 Å²	74	16%	0.155	39%	0.39	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-110.7	146.7	175.6	0	0	0	0	0	110.4	H83 E132	H83-G85 PolarHBondContact NE2-N 3.04Å; G85-E132 PolarHBondContact N-O 2.88Å; G85-E132 PolarHBondContact O-N 2.86Å
86	V	93.8	Very high	82.8	Confident	3 Å²	3	72.1 Å²	72.1	2%	0.018	38%	0.377	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-136.5	128.4	176.3	-175.2	0	0	0	0	109.4	F69 L71 L84 L98 V100 V115 V129 I130 V131	F69-V86 HydrophobicContact CE1-CG1 4.48Å; F69-V86 HydrophobicContact CZ-CG1 3.94Å; L71-V86 HydrophobicContact CD1-CG2 3.68Å; L84-V86 HydrophobicContact CD2-CG2 3.66Å; V86-L98 HydrophobicContact CB-CB 4.39Å; V86-L98 HydrophobicContact CG1-CB 4.37Å; V86-L98 HydrophobicContact CG1-CD1 4.08Å; V86-L98 PolarHBondContact O-N 3.45Å; V86-V100 HydrophobicContact CB-CG2 4.04Å; V86-V100 HydrophobicContact CG2-CG2 3.71Å; V86-V115 HydrophobicContact CB-CG1 4.29Å; V86-V115 HydrophobicContact CG1-CG1 3.99Å; V86-V115 HydrophobicContact CG1-CG2 4.5Å; V86-V115 HydrophobicContact CG2-CG2 3.99Å; V86-V129 HydrophobicContact CG1-CG1 3.2Å; V86-I130 CarbonylContact C-O 3.6Å; V86-I130 WeakPolarHBondContact CA-O 3.29Å; V86-V131 HydrophobicContact CG1-CG2 4.41Å; V86-V131 HydrophobicContact CG2-CG1 4.39Å; V86-V131 HydrophobicContact CG2-CG2 4.43Å
87	Q	92.7	Very high	82.3	Confident	37 Å²	37	71.9 Å²	71.9	17%	0.173	38%	0.379	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-125.4	144.2	-179.5	-71.9	173.3	1	0	0	110.9	N96 N97 V129 I130	Q87-N96 CarbonylContact C-O 3.51Å; Q87-N96 VanDerWaalsContact CA-O 3.29Å; Q87-N96 WeakPolarHBondContact CA-O 3.4Å; Q87-N97 WeakPolarHBondContact CG-OD1 3.4Å; Q87-N97 PolarHBondContact NE2-OD1 2.99Å; Q87-V129 CarbonylContact O-C 3.57Å; Q87-V129 WeakPolarHBondContact O-CA 3.35Å; Q87-V129 WeakPolarHBondContact O-CG1 3.37Å; Q87-I130 HydrophobicContact CB-CB 4.48Å; Q87-I130 PolarHBondContact N-O 3.41Å; Q87-I130 PolarHBondContact O-N 3.05Å
88	V	90	Very high	81.8	Confident	26 Å²	26	72.2 Å²	72.2	16%	0.158	38%	0.381	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-80.2	146.6	162.7	64.7	0	0	0	0	109.4	G90 N96 I127	V88-G90 PolarHBondContact O-N 3.35Å; V88-G90 VanDerWaalsContact O-N 3.14Å; V88-N96 HydrophobicContact CG1-CB 3.82Å; V88-N96 WeakPolarHBondContact CG1-OD1 3.34Å; V88-N96 PolarHBondContact N-O 3.44Å; V88-N96 WeakPolarHBondContact O-CB 3.33Å; V88-I127 HydrophobicContact CG2-CD1 4.12Å; V88-I127 HydrophobicContact CG2-CG1 4.24Å
89	K	78.8	Confident	81.5	Confident	125 Å²	125	74.3 Å²	74.3	54%	0.543	39%	0.39	S	S	.	.	S	Bend	trans	-67	113.9	177.3	-167.9	169.9	-170.4	163.7	0	110.6	E52 S128	E52-K89 IonicContact OE1-NZ 2.79Å; E52-K89 PolarHBondContact OE1-NZ 2.94Å; K89-S128 PolarHBondContact N-O 3.34Å
90	G	71.7	Confident	81.2	Confident	49 Å²	49	72.1 Å²	72.1	51%	0.505	37%	0.368	S	S	.	.	S	Bend	trans	-161.4	178.7	175	0	0	0	0	0	110.7	V88 N96	V88-G90 PolarHBondContact O-N 3.35Å; V88-G90 VanDerWaalsContact O-N 3.14Å; G90-N96 WeakPolarHBondContact CA-ND2 3.48Å; G90-N96 PolarHBondContact N-ND2 3Å; G90-N96 PolarHBondContact O-ND2 3.04Å
91	E	60.5	Low	80.9	Confident	198 Å²	198	74.1 Å²	74.1	93%	0.925	38%	0.376	S	S	*	.	S	Bend	trans	-82.6	-30.7	-176.1	-64.5	-170.8	168.4	0	0	113.1
92	D	58.1	Low	80.6	Confident	115 Å²	115	78.2 Å²	78.2	62%	0.615	39%	0.394	S	S	*	.			trans	-101.7	110.5	-178.9	-74.2	-46.7	0	0	0	112.5	E94 N96	D92-E94 VanDerWaalsContact C-N 3.33Å; D92-E94 PolarHBondContact O-N 2.89Å; D92-N96 WeakPolarHBondContact O-CB 3.38Å; D92-N96 PolarHBondContact O-N 3.28Å; D92-N96 PolarHBondContact O-ND2 3.42Å
93	E	58.8	Low	80.2	Confident	136 Å²	136	78.6 Å²	78.6	64%	0.636	40%	0.395	S	S	*	.	H	α-helix	trans	-61.5	-34	-176.5	-68.9	-160.4	172.1	0	0	114.3	N96 N97	E93-N96 PolarHBondContact O-N 3.48Å; E93-N97 PolarHBondContact O-N 3.27Å; E93-N97 PolarHBondContact O-ND2 3.17Å
94	E	56.8	Low	79.8	Confident	177 Å²	177	84.9 Å²	84.9	83%	0.827	42%	0.422	S	S	*	.	H	α-helix	trans	-68.6	-44.5	-175.4	-67.8	-166.8	170.4	0	0	112.7	D92 N96	D92-E94 VanDerWaalsContact C-N 3.33Å; D92-E94 PolarHBondContact O-N 2.89Å; E94-N96 PolarHBondContact O-N 2.89Å
95	D	61.2	Low	79.2	Confident	144 Å²	144	85.2 Å²	85.2	77%	0.77	42%	0.424	S	S	*	.	H	α-helix	trans	-75.2	-14.3	179.4	-82.8	-15.5	0	0	0	112.7
96	N	75.3	Confident	78.5	Confident	25 Å²	25	92.6 Å²	92.6	13%	0.134	45%	0.451	C	S	.	.	H	α-helix	trans	-93.6	-12	-175.1	-71.2	-22.9	0	0	0	114.1	Q87 V88 G90 D92 E93 E94 L98	Q87-N96 CarbonylContact C-O 3.51Å; Q87-N96 VanDerWaalsContact CA-O 3.29Å; Q87-N96 WeakPolarHBondContact CA-O 3.4Å; V88-N96 HydrophobicContact CG1-CB 3.82Å; V88-N96 WeakPolarHBondContact CG1-OD1 3.34Å; V88-N96 PolarHBondContact N-O 3.44Å; V88-N96 WeakPolarHBondContact O-CB 3.33Å; G90-N96 WeakPolarHBondContact CA-ND2 3.48Å; G90-N96 PolarHBondContact N-ND2 3Å; G90-N96 PolarHBondContact O-ND2 3.04Å; D92-N96 WeakPolarHBondContact O-CB 3.38Å; D92-N96 PolarHBondContact O-N 3.28Å; D92-N96 PolarHBondContact O-ND2 3.42Å; E93-N96 PolarHBondContact O-N 3.48Å; E94-N96 PolarHBondContact O-N 2.89Å; N96-L98 PolarHBondContact O-N 2.86Å
97	N	80.5	Confident	77.7	Confident	91 Å²	91	96.5 Å²	96.5	49%	0.487	49%	0.492	S	S	.	.	B	Isolated β-bridge	trans	-66.4	125.1	179.7	-72.6	-40.2	0	0	0	111.1	Q87 E93	Q87-N97 WeakPolarHBondContact CG-OD1 3.4Å; Q87-N97 PolarHBondContact NE2-OD1 2.99Å; E93-N97 PolarHBondContact O-N 3.27Å; E93-N97 PolarHBondContact O-ND2 3.17Å
98	L	83	Confident	77.1	Confident	22 Å²	22	99.3 Å²	99.3	12%	0.115	50%	0.504	C	S	.	.	P	Polyproline II helix	trans	-96.3	141.7	-179.5	-57.5	-174.3	0	0	0	111.2	V86 N96 V100 V115 L117 P118 V129	V86-L98 HydrophobicContact CB-CB 4.39Å; V86-L98 HydrophobicContact CG1-CB 4.37Å; V86-L98 HydrophobicContact CG1-CD1 4.08Å; V86-L98 PolarHBondContact O-N 3.45Å; N96-L98 PolarHBondContact O-N 2.86Å; L98-V100 WeakPolarHBondContact O-CG2 3.45Å; L98-V100 PolarHBondContact O-N 3.07Å; L98-V115 HydrophobicContact CB-CG1 3.52Å; L98-V115 HydrophobicContact CD1-CG1 3.75Å; L98-V115 HydrophobicContact CG-CG1 4.29Å; L98-L117 HydrophobicContact CD1-CD2 4.49Å; L98-P118 HydrophobicContact CD2-CG 4.14Å; L98-V129 HydrophobicContact CD1-CG1 4.46Å
99	E	84.8	Confident	76.8	Confident	95 Å²	95	103.2 Å²	103.2	44%	0.444	53%	0.532	S	S	.	.	P	Polyproline II helix	trans	-67.7	120.5	176.1	-172.1	-176.3	-174.2	0	0	110.5	R101 V115 K116	E99-R101 HydrophobicContact CG-CG 4.42Å; E99-R101 IonicContact OE1-CZ 2.7Å; E99-R101 IonicContact OE1-NE 3.65Å; E99-R101 PolarHBondContact OE1-NE 3.37Å; E99-R101 IonicContact OE1-NH2 2.92Å; E99-R101 PolarHBondContact OE1-NH2 3.42Å; E99-R101 IonicContact OE2-NH2 3.56Å; E99-V115 WeakPolarHBondContact O-CA 3.16Å; E99-K116 PolarHBondContact O-N 3.44Å
100	V	88.6	Confident	77.1	Confident	42 Å²	42	98.6 Å²	98.6	26%	0.255	52%	0.52	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-109.1	127.6	177.7	-170	0	0	0	0	109.9	L84 V86 L98 F113 V115	L84-V100 HydrophobicContact CD2-CB 4.42Å; L84-V100 HydrophobicContact CD2-CG1 3.85Å; L84-V100 HydrophobicContact CD2-CG2 4.01Å; V86-V100 HydrophobicContact CB-CG2 4.04Å; V86-V100 HydrophobicContact CG2-CG2 3.71Å; L98-V100 WeakPolarHBondContact O-CG2 3.45Å; L98-V100 PolarHBondContact O-N 3.07Å; V100-F113 HydrophobicContact CG1-CB 3.57Å; V100-F113 HydrophobicContact CG1-CD1 3.9Å; V100-F113 HydrophobicContact CG1-CG 4.02Å; V100-V115 HydrophobicContact CG1-CG2 4.3Å; V100-V115 HydrophobicContact CG2-CG2 4.18Å
101	R	88.9	Confident	77.9	Confident	161 Å²	161	99.8 Å²	99.8	61%	0.608	51%	0.509	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-126.1	132.9	176.3	-65	-173.9	-178.5	-167.7	0.7	111.3	E99 F113 I114	E99-R101 HydrophobicContact CG-CG 4.42Å; E99-R101 IonicContact OE1-CZ 2.7Å; E99-R101 IonicContact OE1-NE 3.65Å; E99-R101 PolarHBondContact OE1-NE 3.37Å; E99-R101 IonicContact OE1-NH2 2.92Å; E99-R101 PolarHBondContact OE1-NH2 3.42Å; E99-R101 IonicContact OE2-NH2 3.56Å; R101-F113 CarbonylContact O-C 3.59Å; R101-F113 VanDerWaalsContact O-CA 3.28Å; R101-F113 WeakPolarHBondContact O-CA 3.44Å; R101-I114 PolarHBondContact N-O 2.84Å; R101-I114 PolarHBondContact O-N 2.99Å
102	E	88.7	Confident	79.4	Confident	106 Å²	106	90.5 Å²	90.5	50%	0.495	47%	0.466	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-64.9	137.4	172.7	-170.6	162.5	-178.6	0	0	110.5	R111 F112 F113	E102-R111 IonicContact OE1-CZ 3.92Å; E102-R111 IonicContact OE1-NE 3.86Å; E102-R111 PolarHBondContact OE1-NE 3.19Å; E102-R111 IonicContact OE1-NH2 3.7Å; E102-R111 IonicContact OE2-CZ 3.71Å; E102-R111 IonicContact OE2-NE 2.77Å; E102-R111 IonicContact OE2-NH2 3.59Å; E102-R111 PolarHBondContact OE2-NH2 3.14Å; E102-F112 CarbonylContact C-O 3.6Å; E102-F112 WeakPolarHBondContact CA-O 3.45Å; E102-F113 HydrophobicContact CB-CD1 3.97Å; E102-F113 HydrophobicContact CB-CE1 3.83Å; E102-F113 HydrophobicContact CG-CD1 4.43Å; E102-F113 HydrophobicContact CG-CE1 4.07Å
103	T	88.3	Confident	81.1	Confident	21 Å²	21	85.8 Å²	85.8	13%	0.129	44%	0.44	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-140.3	161.6	-178.5	-169.9	0	0	0	0	111.3	L70 F112 I114	L70-T103 HydrophobicContact CD1-CG2 3.8Å; T103-F112 HydrophobicContact CG2-CB 3.92Å; T103-F112 PolarHBondContact N-O 2.88Å; T103-I114 HydrophobicContact CG2-CB 4.35Å; T103-I114 HydrophobicContact CG2-CD1 4.04Å; T103-I114 HydrophobicContact CG2-CG1 3.97Å
104	K	86.7	Confident	82.7	Confident	170 Å²	170	81.6 Å²	81.6	74%	0.739	42%	0.422	S	S	*	.			trans	-117.8	132.5	174.7	-66	-174.8	-179.8	-179.3	0	110
105	I	83	Confident	84.4	Confident	32 Å²	32	73.2 Å²	73.2	16%	0.164	38%	0.382	C	S	.	.	B	Isolated β-bridge	trans	-100.5	131.8	178	-55.8	171.7	0	0	0	108.8	L70 G107 K108 F112	L70-I105 HydrophobicContact CD1-CD1 4.06Å; L70-I105 HydrophobicContact CD1-CG1 4.48Å; L70-I105 HydrophobicContact CD2-CD1 3.23Å; L70-I105 HydrophobicContact CD2-CG1 4.27Å; L70-I105 HydrophobicContact CG-CD1 4.14Å; I105-G107 PolarHBondContact O-N 3.43Å; I105-K108 PolarHBondContact O-N 3.47Å; I105-F112 HydrophobicContact CB-CD2 4.33Å; I105-F112 HydrophobicContact CB-CE2 4.39Å; I105-F112 HydrophobicContact CD1-CB 4.06Å; I105-F112 HydrophobicContact CD1-CD1 3.4Å; I105-F112 HydrophobicContact CD1-CD2 3.74Å; I105-F112 HydrophobicContact CD1-CE1 3.69Å; I105-F112 HydrophobicContact CD1-CE2 4Å; I105-F112 HydrophobicContact CD1-CG 3.43Å; I105-F112 VanDerWaalsContact CD1-CG 3.43Å; I105-F112 HydrophobicContact CD1-CZ 3.98Å; I105-F112 HydrophobicContact CG1-CB 4.28Å; I105-F112 HydrophobicContact CG1-CD1 4.36Å; I105-F112 HydrophobicContact CG1-CD2 3.89Å; I105-F112 HydrophobicContact CG1-CE2 4.33Å; I105-F112 HydrophobicContact CG1-CG 3.91Å
106	K	77.6	Confident	85.8	Confident	170 Å²	170	72.6 Å²	72.6	74%	0.739	37%	0.373	S	S	*	.	T	Hydrogen-bonded Turn	trans	-59.5	125.2	176.2	-76.7	175	180	176.9	0	110.4	A24	A24-K106 HydrophobicContact CB-CD 4.13Å; A24-K106 VanDerWaalsContact CB-CE 3.49Å; A24-K106 HydrophobicContact CB-CG 3.87Å
107	G	78	Confident	86.5	Confident	85 Å²	85	71.8 Å²	71.8	88%	0.876	37%	0.368	S	S	*	.	T	Hydrogen-bonded Turn	trans	84.3	3.5	173.7	0	0	0	0	0	115.8	I105	I105-G107 PolarHBondContact O-N 3.43Å
108	K	80.6	Confident	86.7	Confident	96 Å²	96	71.4 Å²	71.4	42%	0.417	37%	0.371	S	S	.	.			trans	-123.5	135.7	172.4	-67.3	-164.1	173.6	-168.4	0	111.5	I105 F112 Y209	I105-K108 PolarHBondContact O-N 3.47Å; K108-F112 HydrophobicContact CB-CE2 4.02Å; K108-F112 HydrophobicContact CB-CZ 3.88Å; K108-Y209 HydrophobicContact CD-CE1 4Å; K108-Y209 HydrophobicContact CD-CE2 4.25Å; K108-Y209 WeakPolarHBondContact CD-OH 3.47Å; K108-Y209 PolarHBondContact NZ-OH 3.02Å
109	S	83.5	Confident	86.8	Confident	108 Å²	108	75.6 Å²	75.6	76%	0.755	40%	0.397	S	S	*	.			trans	-85.4	153.9	167.3	53.8	0	0	0	0	110.3
110	G	83.8	Confident	86.9	Confident	28 Å²	28	72.3 Å²	72.3	29%	0.289	39%	0.386	S	S	.	.	S	Bend	trans	118.3	165.2	179.8	0	0	0	0	0	112.3	E78 F112	E78-G110 VanDerWaalsContact OE2-CA 3.29Å; E78-G110 WeakPolarHBondContact OE2-CA 3.44Å; G110-F112 VanDerWaalsContact O-CD2 3.29Å; G110-F112 WeakPolarHBondContact O-CD2 3.44Å; G110-F112 WeakPolarHBondContact O-CE2 3.45Å
111	R	89.9	Confident	86.9	Confident	74 Å²	74	70.8 Å²	70.8	28%	0.279	38%	0.377	S	S	.	.			trans	-85.6	125.4	174.7	-63.3	-177	72.9	-161.7	0.2	110.9	L73 E78 E102 F113	L73-R111 HydrophobicContact CD1-CB 4.4Å; L73-R111 PolarHBondContact N-O 3.5Å; L73-R111 VanDerWaalsContact N-O 3.16Å; E78-R111 HydrophobicContact CB-CB 4.47Å; E78-R111 HydrophobicContact CB-CG 4.32Å; E78-R111 PolarHBondContact O-NH1 3.19Å; E78-R111 PolarHBondContact OE2-N 3.5Å; E102-R111 IonicContact OE1-CZ 3.92Å; E102-R111 IonicContact OE1-NE 3.86Å; E102-R111 PolarHBondContact OE1-NE 3.19Å; E102-R111 IonicContact OE1-NH2 3.7Å; E102-R111 IonicContact OE2-CZ 3.71Å; E102-R111 IonicContact OE2-NE 2.77Å; E102-R111 IonicContact OE2-NH2 3.59Å; E102-R111 PolarHBondContact OE2-NH2 3.14Å; R111-F113 HydrophobicContact CB-CE2 4.21Å; R111-F113 HydrophobicContact CB-CZ 4.48Å
112	F	92.1	Very high	86.9	Confident	3 Å²	3	67 Å²	67	1%	0.013	37%	0.368	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-121.7	149.3	178.4	-59.6	-80.8	0	0	0	110	L70 L71 A72 E102 T103 I105 K108 G110 Y209	L70-F112 HydrophobicContact CD1-CB 4.1Å; L71-F112 CarbonylContact O-C 3.53Å; L71-F112 VanDerWaalsContact O-CA 3.29Å; L71-F112 WeakPolarHBondContact O-CA 3.34Å; A72-F112 HydrophobicContact CB-CD1 3.66Å; A72-F112 HydrophobicContact CB-CE1 3.61Å; E102-F112 CarbonylContact C-O 3.6Å; E102-F112 WeakPolarHBondContact CA-O 3.45Å; T103-F112 HydrophobicContact CG2-CB 3.92Å; T103-F112 PolarHBondContact N-O 2.88Å; I105-F112 HydrophobicContact CB-CD2 4.33Å; I105-F112 HydrophobicContact CB-CE2 4.39Å; I105-F112 HydrophobicContact CD1-CB 4.06Å; I105-F112 HydrophobicContact CD1-CD1 3.4Å; I105-F112 HydrophobicContact CD1-CD2 3.74Å; I105-F112 HydrophobicContact CD1-CE1 3.69Å; I105-F112 HydrophobicContact CD1-CE2 4Å; I105-F112 HydrophobicContact CD1-CG 3.43Å; I105-F112 VanDerWaalsContact CD1-CG 3.43Å; I105-F112 HydrophobicContact CD1-CZ 3.98Å; I105-F112 HydrophobicContact CG1-CB 4.28Å; I105-F112 HydrophobicContact CG1-CD1 4.36Å; I105-F112 HydrophobicContact CG1-CD2 3.89Å; I105-F112 HydrophobicContact CG1-CE2 4.33Å; I105-F112 HydrophobicContact CG1-CG 3.91Å; K108-F112 HydrophobicContact CB-CE2 4.02Å; K108-F112 HydrophobicContact CB-CZ 3.88Å; G110-F112 VanDerWaalsContact O-CD2 3.29Å; G110-F112 WeakPolarHBondContact O-CD2 3.44Å; G110-F112 WeakPolarHBondContact O-CE2 3.45Å; F112-Y209 AromaticContact CE1-CE1 3.91Å; F112-Y209 HydrophobicContact CE1-CE1 3.91Å; F112-Y209 HydrophobicContact CZ-CE1 4.31Å
113	F	93	Very high	86.8	Confident	16 Å²	16	64.1 Å²	64.1	7%	0.07	36%	0.359	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-129.2	135.4	177.9	-57.5	-92.3	0	0	0	110.1	L70 L71 L73 L81 L84 V100 R101 E102 R111	L70-F113 CarbonylContact C-O 3.53Å; L70-F113 WeakPolarHBondContact CA-O 3.3Å; L71-F113 HydrophobicContact CB-CB 4.24Å; L71-F113 PolarHBondContact N-O 3.25Å; L71-F113 PolarHBondContact O-N 2.91Å; L73-F113 HydrophobicContact CD1-CE2 3.54Å; L73-F113 HydrophobicContact CD1-CZ 4.2Å; L73-F113 HydrophobicContact CG-CD2 4.43Å; L73-F113 HydrophobicContact CG-CE2 3.85Å; L81-F113 HydrophobicContact CD2-CE2 4.49Å; L81-F113 HydrophobicContact CD2-CZ 4.15Å; L84-F113 HydrophobicContact CD1-CD1 4.47Å; L84-F113 HydrophobicContact CD1-CD2 3.59Å; L84-F113 HydrophobicContact CD1-CE2 3.83Å; L84-F113 HydrophobicContact CD1-CG 3.96Å; L84-F113 HydrophobicContact CD1-CZ 4.35Å; V100-F113 HydrophobicContact CG1-CB 3.57Å; V100-F113 HydrophobicContact CG1-CD1 3.9Å; V100-F113 HydrophobicContact CG1-CG 4.02Å; R101-F113 CarbonylContact O-C 3.59Å; R101-F113 VanDerWaalsContact O-CA 3.28Å; R101-F113 WeakPolarHBondContact O-CA 3.44Å; E102-F113 HydrophobicContact CB-CD1 3.97Å; E102-F113 HydrophobicContact CB-CE1 3.83Å; E102-F113 HydrophobicContact CG-CD1 4.43Å; E102-F113 HydrophobicContact CG-CE1 4.07Å; R111-F113 HydrophobicContact CB-CE2 4.21Å; R111-F113 HydrophobicContact CB-CZ 4.48Å
114	I	92.9	Very high	86.6	Confident	48 Å²	48	66 Å²	66	25%	0.246	38%	0.383	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-95.3	131.6	168.9	-94.6	167.5	0	0	0	108.1	L70 R101 T103	L70-I114 HydrophobicContact CD1-CG1 3.97Å; R101-I114 PolarHBondContact N-O 2.84Å; R101-I114 PolarHBondContact O-N 2.99Å; T103-I114 HydrophobicContact CG2-CB 4.35Å; T103-I114 HydrophobicContact CG2-CD1 4.04Å; T103-I114 HydrophobicContact CG2-CG1 3.97Å
115	V	92.6	Very high	86.8	Confident	0 Å²	0	59.6 Å²	59.6	0%	0	36%	0.362	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-112.6	128	173.7	-174.5	0	0	0	0	108.3	S68 F69 L71 V86 L98 E99 V100	S68-V115 CarbonylContact C-O 3.55Å; S68-V115 WeakPolarHBondContact CA-O 3.45Å; S68-V115 WeakPolarHBondContact CB-O 3.39Å; F69-V115 HydrophobicContact CD1-CB 3.81Å; F69-V115 HydrophobicContact CD1-CG1 4.23Å; F69-V115 HydrophobicContact CE1-CB 3.36Å; F69-V115 HydrophobicContact CE1-CG1 3.45Å; F69-V115 VanDerWaalsContact CE1-CG1 3.45Å; F69-V115 HydrophobicContact CE1-CG2 3.96Å; F69-V115 HydrophobicContact CE2-CB 4.2Å; F69-V115 HydrophobicContact CE2-CG2 3.95Å; F69-V115 HydrophobicContact CG-CB 4.41Å; F69-V115 HydrophobicContact CZ-CB 3.58Å; F69-V115 HydrophobicContact CZ-CG1 3.83Å; F69-V115 HydrophobicContact CZ-CG2 3.59Å; F69-V115 PolarHBondContact N-O 3.21Å; F69-V115 PolarHBondContact O-N 3.06Å; L71-V115 HydrophobicContact CD1-CG2 3.66Å; L71-V115 HydrophobicContact CG-CG2 4.23Å; V86-V115 HydrophobicContact CB-CG1 4.29Å; V86-V115 HydrophobicContact CG1-CG1 3.99Å; V86-V115 HydrophobicContact CG1-CG2 4.5Å; V86-V115 HydrophobicContact CG2-CG2 3.99Å; L98-V115 HydrophobicContact CB-CG1 3.52Å; L98-V115 HydrophobicContact CD1-CG1 3.75Å; L98-V115 HydrophobicContact CG-CG1 4.29Å; E99-V115 WeakPolarHBondContact O-CA 3.16Å; V100-V115 HydrophobicContact CG1-CG2 4.3Å; V100-V115 HydrophobicContact CG2-CG2 4.18Å
116	K	90.8	Very high	87.2	Confident	132 Å²	132	64 Å²	64	57%	0.574	38%	0.379	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-84.5	126.7	176	-172	179.9	175.8	-170.9	0	109.7	E99	E99-K116 PolarHBondContact O-N 3.44Å
117	L	88.4	Confident	87.9	Confident	7 Å²	7	57.1 Å²	57.1	4%	0.037	35%	0.351	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-77.5	145.2	176.2	-65.4	173.7	0	0	0	110.1	T67 F69 L98 V119 L121 I127	T67-L117 PolarHBondContact O-N 3.17Å; F69-L117 HydrophobicContact CD1-CD2 3.65Å; F69-L117 HydrophobicContact CD1-CG 4.18Å; F69-L117 HydrophobicContact CE1-CD2 3.91Å; L98-L117 HydrophobicContact CD1-CD2 4.49Å; L117-V119 VanDerWaalsContact C-N 3.34Å; L117-L121 HydrophobicContact CD1-CB 4.17Å; L117-I127 HydrophobicContact CD2-CD1 4.18Å
118	P	85.7	Confident	88.6	Confident	83 Å²	83	54.8 Å²	54.8	54%	0.539	32%	0.321	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-67.7	-39.2	179.7	26.1	-30.6	0	0	0	111	L98	L98-P118 HydrophobicContact CD2-CG 4.14Å
119	V	85.7	Confident	89.2	Confident	110 Å²	110	50.3 Å²	50.3	67%	0.667	30%	0.301	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-123	133.9	173.6	-177.6	0	0	0	0	108.3	L117 L121	L117-V119 VanDerWaalsContact C-N 3.34Å; V119-L121 PolarHBondContact O-N 3.05Å
120	A	86.8	Confident	89.8	Confident	27 Å²	27	47.3 Å²	47.3	22%	0.223	28%	0.277	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-60.8	127.8	176.6	0	0	0	0	0	109.9	R65 A66 T67 D122	R65-A120 HydrophobicContact CB-CB 3.85Å; A66-A120 CarbonylContact O-C 3.59Å; A66-A120 WeakPolarHBondContact O-CA 3.45Å; T67-A120 HydrophobicContact CG2-CB 3.85Å; A120-D122 PolarHBondContact O-N 3.09Å
121	L	87.9	Confident	90.4	Very high	10 Å²	10	46.5 Å²	46.5	5%	0.052	27%	0.266	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-76.8	119.9	-178.4	-167.7	68	0	0	0	109.5	L31 H57 R65 A66 L117 V119 A125 I127	L31-L121 HydrophobicContact CD2-CD2 4.05Å; H57-L121 HydrophobicContact CB-CD2 4Å; H57-L121 HydrophobicContact CB-CG 4.22Å; H57-L121 PolarHBondContact CD2-O 2.7Å; R65-L121 WeakPolarHBondContact CA-O 3.41Å; A66-L121 HydrophobicContact CB-CB 4.37Å; A66-L121 PolarHBondContact N-O 3.33Å; A66-L121 PolarHBondContact O-N 3.4Å; L117-L121 HydrophobicContact CD1-CB 4.17Å; V119-L121 PolarHBondContact O-N 3.05Å; L121-A125 HydrophobicContact CD1-CB 3.64Å; L121-A125 HydrophobicContact CG-CB 4.19Å; L121-I127 HydrophobicContact CD1-CB 4.04Å; L121-I127 HydrophobicContact CD1-CG2 3.99Å; L121-I127 HydrophobicContact CD2-CG2 4.05Å
122	D	88.1	Confident	90.6	Very high	81 Å²	81	45.6 Å²	45.6	43%	0.433	27%	0.265	S	S	.	.	P	Polyproline II helix	trans	-74.5	153.7	175.2	-71.7	-34.6	0	0	0	111.5	H57 R65 A120 G124 A125	H57-D122 WeakPolarHBondContact CB-O 3.46Å; R65-D122 WeakPolarHBondContact CD-OD1 3.45Å; R65-D122 WeakPolarHBondContact CG-OD1 3.37Å; A120-D122 PolarHBondContact O-N 3.09Å; D122-G124 PolarHBondContact O-N 3.45Å; D122-A125 HydrophobicContact CB-CB 4.25Å; D122-A125 VanDerWaalsContact O-CB 3.23Å; D122-A125 WeakPolarHBondContact O-CB 3.37Å; D122-A125 PolarHBondContact O-N 3.02Å
123	P	86.6	Confident	90.9	Very high	45 Å²	45	45.9 Å²	45.9	29%	0.292	27%	0.267	S	S	.	.	T	Hydrogen-bonded Turn	trans	-54.9	128.1	172.2	-23.3	33.3	0	0	0	111.8	G59 A125	G59-P123 WeakPolarHBondContact O-CB 3.5Å; P123-A125 VanDerWaalsContact C-N 3.29Å; P123-A125 PolarHBondContact O-N 2.94Å
124	G	86.1	Confident	91.1	Very high	61 Å²	61	45.1 Å²	45.1	63%	0.629	26%	0.263	S	S	*	.	T	Hydrogen-bonded Turn	trans	84.1	-12	-174.5	0	0	0	0	0	115.5	H57 D122	H57-G124 PolarHBondContact O-N 3.3Å; D122-G124 PolarHBondContact O-N 3.45Å
125	A	90.2	Very high	91.3	Very high	36 Å²	36	43.1 Å²	43.1	30%	0.298	25%	0.253	S	S	.	.			trans	-76.4	160	173.8	0	0	0	0	0	111.6	H57 L121 D122 P123	H57-A125 PolarHBondContact N-O 3.17Å; L121-A125 HydrophobicContact CD1-CB 3.64Å; L121-A125 HydrophobicContact CG-CB 4.19Å; D122-A125 HydrophobicContact CB-CB 4.25Å; D122-A125 VanDerWaalsContact O-CB 3.23Å; D122-A125 WeakPolarHBondContact O-CB 3.37Å; D122-A125 PolarHBondContact O-N 3.02Å; P123-A125 VanDerWaalsContact C-N 3.29Å; P123-A125 PolarHBondContact O-N 2.94Å
126	K	91.3	Very high	91.6	Very high	123 Å²	123	43.2 Å²	43.2	54%	0.535	25%	0.253	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-127.4	149	178.9	-55.5	-177	-175	-172	0	110.4	E34 V54 L55 A56	E34-K126 WeakPolarHBondContact OE1-CE 3.45Å; E34-K126 IonicContact OE1-NZ 3.99Å; E34-K126 PolarHBondContact OE1-NZ 3.44Å; E34-K126 VanDerWaalsContact OE2-CD 3.28Å; E34-K126 WeakPolarHBondContact OE2-CD 3.38Å; E34-K126 WeakPolarHBondContact OE2-CE 3.43Å; E34-K126 IonicContact OE2-NZ 3.13Å; E34-K126 PolarHBondContact OE2-NZ 3.47Å; V54-K126 HydrophobicContact CG1-CB 4.5Å; L55-K126 CarbonylContact O-C 3.57Å; L55-K126 VanDerWaalsContact O-CA 3.22Å; L55-K126 WeakPolarHBondContact O-CA 3.34Å; A56-K126 HydrophobicContact CB-CG 4.02Å
127	I	91.7	Very high	91.9	Very high	27 Å²	27	38.8 Å²	38.8	14%	0.138	24%	0.235	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-140.1	139.4	173.2	-171.6	164.1	0	0	0	110	L55 V88 L117 L121 V129	L55-I127 HydrophobicContact CB-CG2 3.87Å; L55-I127 HydrophobicContact CD1-CG2 4.26Å; L55-I127 PolarHBondContact N-O 2.89Å; L55-I127 PolarHBondContact O-N 3.34Å; V88-I127 HydrophobicContact CG2-CD1 4.12Å; V88-I127 HydrophobicContact CG2-CG1 4.24Å; L117-I127 HydrophobicContact CD2-CD1 4.18Å; L121-I127 HydrophobicContact CD1-CB 4.04Å; L121-I127 HydrophobicContact CD1-CG2 3.99Å; L121-I127 HydrophobicContact CD2-CG2 4.05Å; I127-V129 HydrophobicContact CG1-CG2 4.26Å; I127-V129 HydrophobicContact CG2-CG2 4.37Å
128	S	93.2	Very high	92.3	Very high	36 Å²	36	39.2 Å²	39.2	25%	0.252	24%	0.238	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-98.7	123.4	175	-66.8	0	0	0	0	109.5	V53 K89	V53-S128 WeakPolarHBondContact O-CA 3.17Å; K89-S128 PolarHBondContact N-O 3.34Å
129	V	93.7	Very high	92.9	Very high	1 Å²	1	35.7 Å²	35.7	1%	0.006	21%	0.214	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-126	136.2	-179.5	-178.1	0	0	0	0	108.6	V53 L55 F69 V86 Q87 L98 I127 V131	V53-V129 PolarHBondContact N-O 3.35Å; V53-V129 PolarHBondContact O-N 3.4Å; L55-V129 HydrophobicContact CD1-CG2 4.13Å; F69-V129 HydrophobicContact CE1-CG1 4.12Å; F69-V129 HydrophobicContact CE1-CG2 4.3Å; F69-V129 HydrophobicContact CZ-CG1 3.8Å; V86-V129 HydrophobicContact CG1-CG1 3.2Å; Q87-V129 CarbonylContact O-C 3.57Å; Q87-V129 WeakPolarHBondContact O-CA 3.35Å; Q87-V129 WeakPolarHBondContact O-CG1 3.37Å; L98-V129 HydrophobicContact CD1-CG1 4.46Å; I127-V129 HydrophobicContact CG1-CG2 4.26Å; I127-V129 HydrophobicContact CG2-CG2 4.37Å; V129-V131 HydrophobicContact CG1-CG2 4.38Å
130	I	95.1	Very high	93.4	Very high	46 Å²	46	35.6 Å²	35.6	24%	0.236	21%	0.206	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-101.9	122.4	174.9	-58	174.9	0	0	0	107.1	T50 V86 Q87	T50-I130 HydrophobicContact CG2-CG2 3.63Å; V86-I130 CarbonylContact C-O 3.6Å; V86-I130 WeakPolarHBondContact CA-O 3.29Å; Q87-I130 HydrophobicContact CB-CB 4.48Å; Q87-I130 PolarHBondContact N-O 3.41Å; Q87-I130 PolarHBondContact O-N 3.05Å
131	V	95.7	Very high	93.9	Very high	10 Å²	10	35 Å²	35	6%	0.061	20%	0.2	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-109.4	118.1	176.5	-177.8	0	0	0	0	107.8	T50 A51 V53 L71 V86 V129	T50-V131 CarbonylContact C-O 3.58Å; T50-V131 WeakPolarHBondContact CA-O 3.46Å; A51-V131 HydrophobicContact CB-CB 4.44Å; A51-V131 PolarHBondContact N-O 3.28Å; A51-V131 PolarHBondContact O-N 2.8Å; V53-V131 HydrophobicContact CG2-CG2 4.41Å; L71-V131 HydrophobicContact CD1-CG1 4.01Å; L71-V131 HydrophobicContact CD1-CG2 4.33Å; L71-V131 HydrophobicContact CD2-CG1 4.17Å; L71-V131 HydrophobicContact CD2-CG2 3.99Å; V86-V131 HydrophobicContact CG1-CG2 4.41Å; V86-V131 HydrophobicContact CG2-CG1 4.39Å; V86-V131 HydrophobicContact CG2-CG2 4.43Å; V129-V131 HydrophobicContact CG1-CG2 4.38Å
132	E	95.8	Very high	94.4	Very high	55 Å²	55	41.7 Å²	41.7	26%	0.257	23%	0.226	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-110.1	125.3	176.4	-172.6	-177.9	171.5	0	0	109.9	V49 L84 G85	V49-E132 CarbonylContact O-C 3.55Å; V49-E132 WeakPolarHBondContact O-CA 3.48Å; L84-E132 CarbonylContact C-O 3.53Å; L84-E132 WeakPolarHBondContact CA-O 3.2Å; G85-E132 PolarHBondContact N-O 2.88Å; G85-E132 PolarHBondContact O-N 2.86Å
133	T	97.1	Very high	94.8	Very high	9 Å²	9	40.6 Å²	40.6	6%	0.055	22%	0.223	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-123.8	142.3	171.3	58	0	0	0	0	111.1	V49 L81 H83 L84 Y135	V49-T133 PolarHBondContact N-O 3.28Å; V49-T133 PolarHBondContact O-N 3.28Å; L81-T133 HydrophobicContact CD1-CG2 4.09Å; H83-T133 WeakPolarHBondContact O-CA 3.5Å; L84-T133 HydrophobicContact CB-CG2 4.24Å; L84-T133 HydrophobicContact CD1-CG2 4.29Å; L84-T133 HydrophobicContact CG-CG2 3.87Å; T133-Y135 VanDerWaalsContact OG1-CE2 3.22Å; T133-Y135 WeakPolarHBondContact OG1-CE2 3.37Å
134	V	97.9	Very high	95.3	Very high	0 Å²	0	43 Å²	43	0%	0	24%	0.237	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-121.4	121.3	175.7	-175.2	0	0	0	0	108.7	L46 K48 A82 H83 V417	L46-V134 HydrophobicContact CB-CG1 4.46Å; L46-V134 HydrophobicContact CD1-CG1 4.15Å; K48-V134 HydrophobicContact CG-CG1 4.32Å; K48-V134 HydrophobicContact CG-CG2 4.32Å; A82-V134 PolarHBondContact N-O 2.69Å; H83-V134 HydrophobicContact CB-CB 4.24Å; H83-V134 HydrophobicContact CB-CG2 4.34Å; H83-V134 PolarHBondContact N-O 3.2Å; H83-V134 PolarHBondContact O-N 3.42Å; V134-V417 HydrophobicContact CG1-CG1 4.09Å; V134-V417 HydrophobicContact CG1-CG2 4.4Å
135	Y	98	Very high	95.8	Very high	7 Å²	7	45 Å²	45	3%	0.027	23%	0.23	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-109.6	135.3	176.1	-55	-87.1	0	0	0	110.8	A47 V49 E74 L77 R80 L81 T133	A47-Y135 PolarHBondContact N-O 3.47Å; A47-Y135 PolarHBondContact O-N 3.02Å; V49-Y135 HydrophobicContact CG2-CD2 4.29Å; V49-Y135 HydrophobicContact CG2-CE2 4.04Å; E74-Y135 VanDerWaalsContact OE1-CZ 3.32Å; E74-Y135 PolarHBondContact OE1-OH 3.15Å; L77-Y135 HydrophobicContact CB-CD1 3.79Å; L77-Y135 HydrophobicContact CB-CE1 3.57Å; L77-Y135 HydrophobicContact CD1-CE1 4.49Å; L77-Y135 HydrophobicContact CD1-CE2 4.49Å; R80-Y135 WeakPolarHBondContact O-CA 3.36Å; L81-Y135 HydrophobicContact CB-CD1 4.27Å; L81-Y135 HydrophobicContact CB-CE1 4.25Å; L81-Y135 HydrophobicContact CD1-CD1 4.11Å; L81-Y135 HydrophobicContact CD1-CE1 3.68Å; T133-Y135 VanDerWaalsContact OG1-CE2 3.22Å; T133-Y135 WeakPolarHBondContact OG1-CE2 3.37Å
136	T	98	Very high	96.2	Very high	1 Å²	1	43.5 Å²	43.5	1%	0.006	22%	0.217	C	C	.	.			trans	-107.4	152	-178.5	58.3	0	0	0	0	110.4	L46 R80 A82 V138 V364 N415 V417	L46-T136 HydrophobicContact CD2-CG2 3.66Å; R80-T136 WeakPolarHBondContact CB-O 3.27Å; R80-T136 PolarHBondContact O-N 2.73Å; R80-T136 PolarHBondContact O-OG1 2.88Å; A82-T136 HydrophobicContact CB-CG2 3.63Å; T136-V138 PolarHBondContact O-N 3.42Å; T136-V138 VanDerWaalsContact O-N 3.14Å; T136-V364 HydrophobicContact CG2-CB 4.4Å; T136-V364 HydrophobicContact CG2-CG2 3.53Å; T136-N415 WeakPolarHBondContact CB-OD1 3.45Å; T136-N415 WeakPolarHBondContact CG2-OD1 3.39Å; T136-N415 PolarHBondContact OG1-ND2 3.04Å; T136-N415 PolarHBondContact OG1-OD1 3.14Å; T136-V417 HydrophobicContact CG2-CG1 3.58Å
137	H	97.3	Very high	96.4	Very high	40 Å²	40	39.4 Å²	39.4	19%	0.185	20%	0.203	C	C	.	.	S	Bend	trans	57.8	27.9	175.4	-58.2	-70.2	0	0	0	115.3	Q140 T226 D366	H137-Q140 PolarHBondContact O-NE2 3.03Å; H137-Q140 VanDerWaalsContact O-NE2 3.12Å; H137-T226 VanDerWaalsContact CE1-CG2 3.48Å; H137-T226 WeakPolarHBondContact CE1-CG2 3.37Å; H137-T226 PolarHBondContact CE1-OG1 3.33Å; H137-D366 IonicContact CD2-OD1 3.58Å; H137-D366 IonicContact CE1-OD1 2.8Å; H137-D366 IonicContact NE2-OD1 3.69Å; H137-D366 PolarHBondContact NE2-OD1 3.27Å; H137-D366 IonicContact NE2-OD2 2.82Å
138	V	97.2	Very high	96.5	Very high	16 Å²	16	38.9 Å²	38.9	10%	0.097	20%	0.2	C	C	.	.			trans	-97	-20.7	-179.5	-65.3	0	0	0	0	113.4	A47 L77 R80 T136 Q140 F156	A47-V138 HydrophobicContact CB-CG2 3.51Å; L77-V138 HydrophobicContact CD2-CG1 3.86Å; R80-V138 HydrophobicContact CB-CG1 3.73Å; R80-V138 HydrophobicContact CG-CG1 4.04Å; T136-V138 PolarHBondContact O-N 3.42Å; T136-V138 VanDerWaalsContact O-N 3.14Å; V138-Q140 PolarHBondContact O-N 3.38Å; V138-F156 HydrophobicContact CB-CD2 4.34Å; V138-F156 HydrophobicContact CB-CE2 4.22Å; V138-F156 HydrophobicContact CG2-CD2 4.08Å; V138-F156 HydrophobicContact CG2-CE2 3.9Å
139	L	97.6	Very high	96.5	Very high	8 Å²	8	41 Å²	41	4%	0.042	21%	0.214	C	C	.	.			trans	-86.1	110.2	176.6	-61.5	-176.5	0	0	0	110.1	L42 S44 V154 F156 F224	L42-L139 HydrophobicContact CD2-CD2 4.35Å; S44-L139 WeakPolarHBondContact O-CD1 3.45Å; L139-V154 HydrophobicContact CB-CB 4.48Å; L139-F156 HydrophobicContact CD2-CB 3.57Å; L139-F156 HydrophobicContact CD2-CD2 3.8Å; L139-F156 HydrophobicContact CD2-CG 4.01Å; L139-F224 HydrophobicContact CB-CE1 3.96Å; L139-F224 HydrophobicContact CB-CZ 4.24Å; L139-F224 HydrophobicContact CD1-CE1 4.48Å; L139-F224 HydrophobicContact CD1-CZ 4.03Å
140	Q	96.9	Very high	96.6	Very high	108 Å²	108	44.9 Å²	44.9	51%	0.505	23%	0.232	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-99.3	124	-177	-63.6	-59.5	-39.9	0	0	110.7	H137 V138 Y142 V154 V155	H137-Q140 PolarHBondContact O-NE2 3.03Å; H137-Q140 VanDerWaalsContact O-NE2 3.12Å; V138-Q140 PolarHBondContact O-N 3.38Å; Q140-Y142 PolarHBondContact O-N 2.83Å; Q140-V154 CarbonylContact O-C 3.49Å; Q140-V154 WeakPolarHBondContact O-CA 3.47Å; Q140-V155 PolarHBondContact N-O 3.01Å; Q140-V155 PolarHBondContact O-N 2.71Å
141	P	97.4	Very high	96.6	Very high	16 Å²	16	46.9 Å²	46.9	10%	0.104	24%	0.239	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-61.9	128.3	176.3	-20.1	30.9	0	0	0	112.2	P143 T144 F153 A255	P141-P143 CarbonylContact C-O 3.59Å; P141-P143 CarbonylContact O-C 3.6Å; P141-T144 WeakPolarHBondContact O-CG2 3.48Å; P141-T144 PolarHBondContact O-N 3.35Å; P141-F153 WeakPolarHBondContact CA-O 3.22Å; P141-A255 HydrophobicContact CB-CB 3.83Å
142	Y	97.2	Very high	96.7	Very high	149 Å²	149	46.4 Å²	46.4	58%	0.584	24%	0.237	S	C	*	.	S	Bend	trans	-141.1	98.6	176.7	-169.8	-103.1	0	0	0	109.1	Q140 F153 V155 H217	Q140-Y142 PolarHBondContact O-N 2.83Å; Y142-F153 CarbonylContact C-O 3.58Å; Y142-F153 PolarHBondContact N-O 3.11Å; Y142-F153 WeakPolarHBondContact O-CB 3.46Å; Y142-V155 HydrophobicContact CD1-CG2 4.29Å; Y142-V155 HydrophobicContact CG-CG2 4.15Å; Y142-H217 AromaticContact CD1-CE1 3.56Å; Y142-H217 AromaticContact CD1-NE2 3.62Å; Y142-H217 PolarHBondContact O-NE2 3.08Å
143	P	96.8	Very high	96.8	Very high	58 Å²	58	45.7 Å²	45.7	38%	0.377	23%	0.233	S	C	.	.	S	Bend	cis	-72.9	154.5	12.7	31.4	-37	0	0	0	113.9	P141 Q145 I146	P141-P143 CarbonylContact C-O 3.59Å; P141-P143 CarbonylContact O-C 3.6Å; P143-Q145 PolarHBondContact O-N 2.93Å; P143-I146 HydrophobicContact CG-CG2 3.83Å
144	T	97	Very high	96.8	Very high	96 Å²	96	45.3 Å²	45.3	59%	0.589	23%	0.23	S	C	*	.	S	Bend	trans	-73.5	-16.6	178.3	52	0	0	0	0	113.5	P141 V256	P141-T144 WeakPolarHBondContact O-CG2 3.48Å; P141-T144 PolarHBondContact O-N 3.35Å; T144-V256 PolarHBondContact O-N 2.87Å
145	Q	97.4	Very high	96.9	Very high	103 Å²	103	46 Å²	46	48%	0.481	24%	0.235	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-134.4	135.8	176.6	-52	-179.2	-0.9	0	0	110.1	P143 V256 K258	P143-Q145 PolarHBondContact O-N 2.93Å; Q145-V256 CarbonylContact C-O 3.58Å; Q145-V256 WeakPolarHBondContact CA-O 3.44Å; Q145-V256 HydrophobicContact CG-CB 4.4Å; Q145-K258 HydrophobicContact CB-CB 4.07Å
146	I	97	Very high	96.9	Very high	5 Å²	5	46 Å²	46	3%	0.026	24%	0.235	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-129.9	147.1	179.9	58.1	175.2	0	0	0	110.8	P143 E150 Q152 A255 V256 L257 K258 S275	P143-I146 HydrophobicContact CG-CG2 3.83Å; I146-E150 WeakPolarHBondContact CA-OE2 3.37Å; I146-E150 HydrophobicContact CB-CB 3.9Å; I146-E150 HydrophobicContact CG2-CB 4.35Å; I146-Q152 HydrophobicContact CD1-CB 4.2Å; I146-A255 HydrophobicContact CB-CB 4.26Å; I146-A255 HydrophobicContact CD1-CB 3.83Å; I146-A255 HydrophobicContact CG1-CB 3.67Å; I146-A255 HydrophobicContact CG2-CB 3.8Å; I146-V256 PolarHBondContact N-O 3.23Å; I146-L257 CarbonylContact O-C 3.57Å; I146-L257 WeakPolarHBondContact O-CA 3.47Å; I146-K258 PolarHBondContact O-N 2.94Å; I146-S275 WeakPolarHBondContact CD1-OG 3.3Å
147	T	96.1	Very high	96.8	Very high	37 Å²	37	50.3 Å²	50.3	23%	0.227	25%	0.254	C	S	.	.			trans	-73	166.4	171.2	66.8	0	0	0	0	111.5	S149 E150	T147-S149 PolarHBondContact O-N 3.35Å; T147-S149 VanDerWaalsContact O-N 3.09Å; T147-E150 VanDerWaalsContact CG2-OE1 3.28Å; T147-E150 WeakPolarHBondContact CG2-OE1 3.38Å; T147-E150 PolarHBondContact N-OE2 3.04Å; T147-E150 PolarHBondContact O-N 3.43Å; T147-E150 VanDerWaalsContact O-N 3.07Å; T147-E150 VanDerWaalsContact OG1-CG 3.22Å; T147-E150 WeakPolarHBondContact OG1-CG 3.48Å; T147-E150 PolarHBondContact OG1-OE1 3.47Å
148	Q	94.3	Very high	96.7	Very high	16 Å²	16	48.5 Å²	48.5	8%	0.075	25%	0.247	C	C	.	.	T	Hydrogen-bonded Turn	trans	-56	-29.3	-177.9	-167.8	-176.6	-50.6	0	0	113.6	L257 S262 S272 G273 F323	Q148-L257 HydrophobicContact CB-CD1 4.12Å; Q148-S262 PolarHBondContact NE2-O 3.44Å; Q148-S272 WeakPolarHBondContact CG-OG 3.42Å; Q148-S272 PolarHBondContact NE2-OG 3.04Å; Q148-G273 WeakPolarHBondContact O-CA 3.46Å; Q148-G273 PolarHBondContact O-N 3.05Å; Q148-F323 HydrophobicContact CB-CE1 4.45Å; Q148-F323 HydrophobicContact CG-CE1 3.7Å; Q148-F323 HydrophobicContact CG-CZ 3.7Å
149	S	93.8	Very high	96.7	Very high	80 Å²	80	48.3 Å²	48.3	56%	0.559	25%	0.245	S	C	*	.	T	Hydrogen-bonded Turn	trans	-99	-0.5	-178.2	54.6	0	0	0	0	114.1	T147	T147-S149 PolarHBondContact O-N 3.35Å; T147-S149 VanDerWaalsContact O-N 3.09Å
150	E	95	Very high	96.6	Very high	82 Å²	82	48.1 Å²	48.1	38%	0.383	24%	0.244	S	C	.	.	P	Polyproline II helix	trans	-89	153.9	-179.9	-82.6	161.2	-149	0	0	111.5	I146 T147	I146-E150 WeakPolarHBondContact CA-OE2 3.37Å; I146-E150 HydrophobicContact CB-CB 3.9Å; I146-E150 HydrophobicContact CG2-CB 4.35Å; T147-E150 VanDerWaalsContact CG2-OE1 3.28Å; T147-E150 WeakPolarHBondContact CG2-OE1 3.38Å; T147-E150 PolarHBondContact N-OE2 3.04Å; T147-E150 PolarHBondContact O-N 3.43Å; T147-E150 VanDerWaalsContact O-N 3.07Å; T147-E150 VanDerWaalsContact OG1-CG 3.22Å; T147-E150 WeakPolarHBondContact OG1-CG 3.48Å; T147-E150 PolarHBondContact OG1-OE1 3.47Å
151	K	95.4	Very high	96.5	Very high	89 Å²	89	45.4 Å²	45.4	39%	0.387	23%	0.23	S	C	.	.	P	Polyproline II helix	trans	-90.6	149.9	175.2	-71.5	161.4	158.5	-132.4	0	110.2	F153 E219 N221 I274	K151-F153 HydrophobicContact CB-CE2 4.44Å; K151-E219 HydrophobicContact CB-CG 4.37Å; K151-E219 WeakPolarHBondContact CD-OE1 3.46Å; K151-E219 WeakPolarHBondContact CE-OE1 3.14Å; K151-E219 IonicContact NZ-OE1 3.84Å; K151-E219 PolarHBondContact NZ-OE1 2.99Å; K151-E219 IonicContact NZ-OE2 3.66Å; K151-E219 PolarHBondContact NZ-OE2 3.01Å; K151-N221 WeakPolarHBondContact CA-OD1 3.46Å; K151-I274 HydrophobicContact CG-CD1 4.14Å
152	Q	97.3	Very high	96.4	Very high	0 Å²	0	45.9 Å²	45.9	0%	0	23%	0.23	C	C	.	.	P	Polyproline II helix	trans	-83	129.5	176.7	-179.6	176.5	-78.4	0	0	110.4	I146 V154 E219 N220 N221 F224 A255	I146-Q152 HydrophobicContact CD1-CB 4.2Å; Q152-V154 HydrophobicContact CG-CG1 3.95Å; Q152-E219 WeakPolarHBondContact O-CA 3.48Å; Q152-N220 WeakPolarHBondContact CB-O 3.37Å; Q152-N220 WeakPolarHBondContact CG-O 3.18Å; Q152-N220 PolarHBondContact NE2-O 3.17Å; Q152-N220 PolarHBondContact O-N 3.04Å; Q152-N221 PolarHBondContact N-OD1 2.97Å; Q152-F224 VanDerWaalsContact NE2-CE2 3.29Å; Q152-A255 HydrophobicContact CG-CB 4.27Å
153	F	98	Very high	96.3	Very high	40 Å²	40	40 Å²	40	18%	0.175	21%	0.207	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-113.5	142.2	166.6	-72.3	-97.8	0	0	0	109.3	P141 Y142 K151 E183 H217 Y218 E219	P141-F153 WeakPolarHBondContact CA-O 3.22Å; Y142-F153 CarbonylContact C-O 3.58Å; Y142-F153 PolarHBondContact N-O 3.11Å; Y142-F153 WeakPolarHBondContact O-CB 3.46Å; K151-F153 HydrophobicContact CB-CE2 4.44Å; F153-E183 HydrophobicContact CD1-CG 3.68Å; F153-E183 HydrophobicContact CE1-CG 3.59Å; F153-E183 WeakPolarHBondContact CE1-OE1 3.15Å; F153-H217 WeakPolarHBondContact CB-NE2 2.95Å; F153-Y218 CarbonylContact C-O 3.53Å; F153-Y218 VanDerWaalsContact CA-O 3.26Å; F153-Y218 WeakPolarHBondContact CA-O 3.4Å; F153-E219 HydrophobicContact CD1-CB 3.98Å; F153-E219 HydrophobicContact CE1-CB 3.71Å; F153-E219 HydrophobicContact CZ-CB 4.08Å
154	V	98.3	Very high	96.1	Very high	0 Å²	0	37.4 Å²	37.4	0%	0	19%	0.19	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-130.9	151.9	-178.1	-56.9	0	0	0	0	110.8	L139 Q140 Q152 H217 Y218 N220 F224	L139-V154 HydrophobicContact CB-CB 4.48Å; Q140-V154 CarbonylContact O-C 3.49Å; Q140-V154 WeakPolarHBondContact O-CA 3.47Å; Q152-V154 HydrophobicContact CG-CG1 3.95Å; V154-H217 WeakPolarHBondContact O-CA 3.33Å; V154-H217 PolarHBondContact O-CD2 3.14Å; V154-Y218 HydrophobicContact CG2-CD1 4.12Å; V154-Y218 HydrophobicContact CG2-CE1 3.48Å; V154-Y218 VanDerWaalsContact CG2-CE1 3.48Å; V154-Y218 HydrophobicContact CG2-CE2 4.08Å; V154-Y218 VanDerWaalsContact CG2-CZ 3.41Å; V154-Y218 WeakPolarHBondContact CG2-OH 3.45Å; V154-Y218 PolarHBondContact N-O 2.91Å; V154-Y218 PolarHBondContact O-N 3.28Å; V154-Y218 VanDerWaalsContact O-N 3.07Å; V154-N220 HydrophobicContact CG1-CB 4.34Å; V154-N220 HydrophobicContact CG2-CB 3.67Å; V154-F224 HydrophobicContact CG1-CE1 4.07Å; V154-F224 HydrophobicContact CG1-CZ 3.86Å
155	V	98.1	Very high	95.9	Very high	16 Å²	16	33.6 Å²	33.6	10%	0.097	17%	0.167	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-111.6	131.2	176.2	170.7	0	0	0	0	108.6	Q140 Y142 E157 K215 V216 H217	Q140-V155 PolarHBondContact N-O 3.01Å; Q140-V155 PolarHBondContact O-N 2.71Å; Y142-V155 HydrophobicContact CD1-CG2 4.29Å; Y142-V155 HydrophobicContact CG-CG2 4.15Å; V155-E157 HydrophobicContact CG1-CG 4.14Å; V155-K215 HydrophobicContact CG1-CD 4.34Å; V155-K215 VanDerWaalsContact CG1-CE 3.47Å; V155-K215 HydrophobicContact CG1-CG 4.13Å; V155-V216 WeakPolarHBondContact CA-O 3.45Å; V155-H217 HydrophobicContact CG2-CB 3.97Å
156	F	98	Very high	95.7	Very high	7 Å²	7	29.1 Å²	29.1	3%	0.031	15%	0.146	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-113.6	135.9	167.1	177.9	-111.4	0	0	0	109.4	V40 L42 A47 V138 L139 F214 K215 V216	V40-F156 HydrophobicContact CG1-CE1 4.26Å; L42-F156 HydrophobicContact CD1-CB 3.85Å; L42-F156 HydrophobicContact CD1-CD1 3.55Å; L42-F156 HydrophobicContact CD1-CE1 4.23Å; L42-F156 HydrophobicContact CD1-CG 3.75Å; L42-F156 HydrophobicContact CD2-CD1 4.15Å; L42-F156 HydrophobicContact CD2-CD2 4.15Å; L42-F156 HydrophobicContact CD2-CE1 4.24Å; L42-F156 HydrophobicContact CD2-CE2 4.24Å; L42-F156 HydrophobicContact CD2-CG 4.09Å; L42-F156 HydrophobicContact CD2-CZ 4.28Å; A47-F156 HydrophobicContact CB-CD2 4.37Å; A47-F156 HydrophobicContact CB-CE2 3.72Å; A47-F156 HydrophobicContact CB-CZ 4.2Å; V138-F156 HydrophobicContact CB-CD2 4.34Å; V138-F156 HydrophobicContact CB-CE2 4.22Å; V138-F156 HydrophobicContact CG2-CD2 4.08Å; V138-F156 HydrophobicContact CG2-CE2 3.9Å; L139-F156 HydrophobicContact CD2-CB 3.57Å; L139-F156 HydrophobicContact CD2-CD2 3.8Å; L139-F156 HydrophobicContact CD2-CG 4.01Å; F156-F214 HydrophobicContact CD1-CD1 4.04Å; F156-F214 AromaticContact CD1-CE1 3.77Å; F156-F214 HydrophobicContact CD1-CE1 3.77Å; F156-F214 HydrophobicContact CE1-CD1 4.03Å; F156-F214 HydrophobicContact CE1-CE1 4.02Å; F156-K215 VanDerWaalsContact O-CA 3.31Å; F156-K215 WeakPolarHBondContact O-CA 3.1Å; F156-V216 HydrophobicContact CB-CG1 3.93Å; F156-V216 HydrophobicContact CD1-CG1 4.37Å; F156-V216 PolarHBondContact N-O 3.03Å; F156-V216 PolarHBondContact O-N 3.18Å
157	E	97.1	Very high	95.6	Very high	90 Å²	90	31.5 Å²	31.5	42%	0.421	16%	0.162	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-121.5	127.2	173.1	-66.5	-178.1	176.5	0	0	108.4	V155 F214 K215	V155-E157 HydrophobicContact CG1-CG 4.14Å; E157-F214 CarbonylContact C-O 3.45Å; E157-F214 WeakPolarHBondContact CA-O 3.5Å; E157-K215 HydrophobicContact CG-CB 4.32Å; E157-K215 HydrophobicContact CG-CD 4.01Å; E157-K215 HydrophobicContact CG-CG 3.96Å; E157-K215 WeakPolarHBondContact OE1-CD 3.31Å; E157-K215 VanDerWaalsContact OE1-CE 3.32Å; E157-K215 WeakPolarHBondContact OE1-CE 3.38Å; E157-K215 IonicContact OE1-NZ 3.37Å; E157-K215 PolarHBondContact OE1-NZ 3.4Å
158	G	95.7	Very high	95.6	Very high	2 Å²	2	29.9 Å²	29.9	2%	0.021	15%	0.152	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-153.6	-154.2	-178.8	0	0	0	0	0	111	F214	G158-F214 PolarHBondContact N-O 2.74Å; G158-F214 PolarHBondContact O-N 2.97Å
159	N	95.5	Very high	95.7	Very high	12 Å²	12	32.7 Å²	32.7	6%	0.064	16%	0.164	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-117.2	135.7	-176.4	-173.1	0.6	0	0	0	111.7	R38 Y161 S210 D212	R38-N159 PolarHBondContact NH1-O 3.07Å; R38-N159 PolarHBondContact NH2-O 3.28Å; N159-Y161 VanDerWaalsContact C-N 3.31Å; N159-Y161 VanDerWaalsContact CG-O 3.26Å; N159-Y161 PolarHBondContact ND2-O 3.03Å; N159-Y161 PolarHBondContact O-N 3.3Å; N159-Y161 PolarHBondContact OD1-N 3.31Å; N159-Y161 VanDerWaalsContact OD1-N 3.07Å; N159-S210 PolarHBondContact ND2-O 3.47Å; N159-S210 VanDerWaalsContact ND2-O 3.11Å; N159-D212 CarbonylContact C-O 3.58Å; N159-D212 VanDerWaalsContact CA-O 3.3Å; N159-D212 WeakPolarHBondContact CA-O 3.43Å; N159-D212 PolarHBondContact OD1-N 2.91Å; N159-D212 PolarHBondContact OD1-O 3.21Å
160	H	95.4	Very high	95.8	Very high	5 Å²	5	31.3 Å²	31.3	2%	0.023	15%	0.152	C	C	.	.	S	Bend	trans	-67.2	-30.4	173.7	-73.7	108.2	0	0	0	113.3	R38 T186 L188 Y200 D212 T213 F214	R38-H160 PolarHBondContact NH2-O 3.42Å; H160-T186 PolarHBondContact CE1-OG1 2.88Å; H160-T186 PolarHBondContact NE2-OG1 3.2Å; H160-L188 HydrophobicContact CB-CD2 3.72Å; H160-Y200 AromaticContact CD2-CD1 3.8Å; H160-Y200 AromaticContact CD2-CE1 3.68Å; H160-Y200 AromaticContact NE2-CE1 3.64Å; H160-D212 HydrophobicContact CB-CB 4.37Å; H160-D212 IonicContact CE1-OD2 2.67Å; H160-D212 PolarHBondContact CE1-OD2 3.18Å; H160-D212 IonicContact CG-OD2 3.88Å; H160-D212 PolarHBondContact N-O 3.38Å; H160-D212 IonicContact ND1-OD2 3.31Å; H160-D212 PolarHBondContact ND1-OD2 2.66Å; H160-T213 PolarHBondContact CE1-O 2.91Å; H160-T213 PolarHBondContact ND1-O 2.76Å; H160-F214 AromaticContact CD2-CD2 3.89Å; H160-F214 AromaticContact NE2-CD2 3.75Å
161	Y	95.4	Very high	95.9	Very high	51 Å²	51	27.7 Å²	27.7	20%	0.2	14%	0.135	C	C	.	.	S	Bend	trans	-104.4	157.1	-175.8	-55.8	-46.2	0	0	0	111.5	R38 N159 Y163 L188 F203 V206 D212	R38-Y161 VanDerWaalsContact NH1-C 3.32Å; R38-Y161 PolarHBondContact NH1-O 3.34Å; N159-Y161 VanDerWaalsContact C-N 3.31Å; N159-Y161 VanDerWaalsContact CG-O 3.26Å; N159-Y161 PolarHBondContact ND2-O 3.03Å; N159-Y161 PolarHBondContact O-N 3.3Å; N159-Y161 PolarHBondContact OD1-N 3.31Å; N159-Y161 VanDerWaalsContact OD1-N 3.07Å; Y161-Y163 PolarHBondContact O-N 2.9Å; Y161-L188 HydrophobicContact CE1-CD2 3.91Å; Y161-F203 HydrophobicContact CD1-CD2 4.14Å; Y161-F203 HydrophobicContact CD1-CG 4.32Å; Y161-F203 HydrophobicContact CE1-CB 4.31Å; Y161-F203 HydrophobicContact CE1-CD1 4.06Å; Y161-F203 HydrophobicContact CE1-CD2 4.08Å; Y161-F203 HydrophobicContact CE1-CE1 4.42Å; Y161-F203 HydrophobicContact CE1-CE2 4.43Å; Y161-F203 AromaticContact CE1-CG 3.88Å; Y161-F203 HydrophobicContact CE1-CG 3.88Å; Y161-V206 HydrophobicContact CD1-CG1 4.47Å; Y161-V206 HydrophobicContact CD1-CG2 4.49Å; Y161-V206 HydrophobicContact CG-CG1 4.23Å; Y161-D212 HydrophobicContact CD2-CB 3.8Å; Y161-D212 HydrophobicContact CE2-CB 3.58Å
162	F	95.7	Very high	96	Very high	26 Å²	26	26 Å²	26	11%	0.114	13%	0.132	C	C	.	.			trans	-72.8	106.6	170.4	-177.8	-118.8	0	0	0	109.7	V36 A51 V53 S164	V36-F162 HydrophobicContact CG1-CB 3.84Å; V36-F162 HydrophobicContact CG1-CD1 3.97Å; V36-F162 HydrophobicContact CG1-CD2 4.13Å; V36-F162 HydrophobicContact CG1-CG 3.73Å; V36-F162 HydrophobicContact CG2-CD1 4.01Å; V36-F162 HydrophobicContact CG2-CE1 4.49Å; A51-F162 HydrophobicContact CB-CD2 4.23Å; A51-F162 HydrophobicContact CB-CE2 3.83Å; V53-F162 HydrophobicContact CG2-CE1 3.97Å; V53-F162 HydrophobicContact CG2-CE2 4.47Å; V53-F162 HydrophobicContact CG2-CZ 3.79Å; F162-S164 VanDerWaalsContact CE1-CB 3.48Å; F162-S164 PolarHBondContact O-N 3.25Å
163	Y	94.8	Very high	96	Very high	24 Å²	24	26.1 Å²	26.1	9%	0.094	13%	0.133	C	C	.	.			trans	-72.1	99.5	-179.1	-173.4	-104.2	0	0	0	109.9	A72 L73 E74 Y161 Y209	A72-Y163 HydrophobicContact CB-CD1 3.88Å; A72-Y163 HydrophobicContact CB-CE1 3.76Å; L73-Y163 VanDerWaalsContact C-CD1 3.47Å; L73-Y163 WeakPolarHBondContact O-CE1 3.48Å; E74-Y163 HydrophobicContact CB-CD1 4.43Å; E74-Y163 HydrophobicContact CB-CG 4.44Å; Y161-Y163 PolarHBondContact O-N 2.9Å; Y163-Y209 HydrophobicContact CE1-CD1 4.28Å; Y163-Y209 AromaticContact CE2-CD1 3.96Å; Y163-Y209 HydrophobicContact CE2-CD1 3.96Å; Y163-Y209 AromaticContact CZ-CD1 3.66Å; Y163-Y209 WeakPolarHBondContact OH-CD1 3.43Å
164	S	93.7	Very high	96	Very high	4 Å²	4	29.8 Å²	29.8	3%	0.028	15%	0.146	C	C	.	.			trans	-140.5	155.7	-177	78	0	0	0	0	111.9	N33 F162 Y166 Y209	N33-S164 PolarHBondContact ND2-OG 2.79Å; F162-S164 VanDerWaalsContact CE1-CB 3.48Å; F162-S164 PolarHBondContact O-N 3.25Å; S164-Y166 PolarHBondContact O-N 3.32Å; S164-Y166 PolarHBondContact OG-O 2.9Å; S164-Y209 PolarHBondContact O-N 3.31Å
165	P	92.1	Very high	96	Very high	16 Å²	16	29.8 Å²	29.8	10%	0.104	15%	0.146	C	C	.	.	S	Bend	trans	-73.1	-6.5	177.8	31.1	-35.3	0	0	0	113.6	L70 A208 Y209	L70-P165 HydrophobicContact CB-CG 3.97Å; L70-P165 HydrophobicContact CD2-CB 3.9Å; L70-P165 HydrophobicContact CD2-CG 3.71Å; L70-P165 HydrophobicContact CG-CG 3.98Å; L70-P165 VanDerWaalsContact O-CG 3.3Å; L70-P165 WeakPolarHBondContact O-CG 3.48Å; P165-A208 WeakPolarHBondContact O-CB 3.36Å; P165-Y209 VanDerWaalsContact CA-CE2 3.41Å; P165-Y209 HydrophobicContact CB-CE2 3.76Å; P165-Y209 WeakPolarHBondContact CB-OH 3.43Å
166	Y	93.2	Very high	96	Very high	9 Å²	9	32.6 Å²	32.6	4%	0.035	16%	0.157	C	C	.	.	S	Bend	trans	-107.9	145.2	-177	-53.3	-65.2	0	0	0	110.8	A28 P29 L31 F69 L70 S164	A28-Y166 HydrophobicContact CB-CE1 3.71Å; P29-Y166 WeakPolarHBondContact O-CE1 3.48Å; L31-Y166 HydrophobicContact CB-CD1 3.88Å; L31-Y166 HydrophobicContact CB-CE1 3.8Å; L31-Y166 HydrophobicContact CB-CG 4.33Å; L31-Y166 HydrophobicContact CD1-CE1 4.39Å; L31-Y166 HydrophobicContact CD1-CE2 4.49Å; L31-Y166 HydrophobicContact CG-CE1 4.38Å; L31-Y166 WeakPolarHBondContact O-CD1 3.5Å; F69-Y166 HydrophobicContact CB-CE2 4.4Å; L70-Y166 HydrophobicContact CB-CE2 4.36Å; L70-Y166 WeakPolarHBondContact CB-OH 3.41Å; L70-Y166 PolarHBondContact N-OH 3.49Å; L70-Y166 WeakPolarHBondContact O-CE2 3.44Å; S164-Y166 PolarHBondContact O-N 3.32Å; S164-Y166 PolarHBondContact OG-O 2.9Å
167	P	94.6	Very high	96	Very high	56 Å²	56	32.4 Å²	32.4	36%	0.364	16%	0.156	S	C	.	.			trans	-63.3	148	168.4	28	-32.6	0	0	0	110.2	I32 N33	I32-P167 HydrophobicContact CD1-CG 4.37Å; I32-P167 HydrophobicContact CG1-CG 4.24Å; I32-P167 WeakPolarHBondContact CG1-O 3.36Å; N33-P167 PolarHBondContact N-O 2.97Å
168	T	96	Very high	95.9	Very high	3 Å²	3	29.9 Å²	29.9	2%	0.018	15%	0.15	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-121.3	121.7	-178.7	-58.4	0	0	0	0	110.5	N33 V36 T170 Q171 D205 V206	N33-T168 HydrophobicContact CB-CG2 3.98Å; N33-T168 PolarHBondContact ND2-OG1 3Å; N33-T168 CarbonylContact O-C 3.53Å; N33-T168 WeakPolarHBondContact O-CA 3.47Å; V36-T168 HydrophobicContact CB-CG2 4.17Å; V36-T168 HydrophobicContact CG2-CG2 3.61Å; T168-T170 WeakPolarHBondContact CG2-O 3.43Å; T168-Q171 HydrophobicContact CG2-CB 3.99Å; T168-D205 CarbonylContact O-C 3.55Å; T168-D205 WeakPolarHBondContact O-CA 3.5Å; T168-V206 PolarHBondContact N-O 3.38Å; T168-V206 PolarHBondContact O-N 3.28Å
169	K	95.9	Very high	95.9	Very high	74 Å²	74	31 Å²	31	32%	0.322	16%	0.158	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-71.3	-48.4	-178.8	-66	-177.1	-178.3	170.3	0	112.1	I32 N33 E34 R204 D205	I32-K169 HydrophobicContact CD1-CD 4.28Å; I32-K169 HydrophobicContact CD1-CG 3.74Å; I32-K169 HydrophobicContact CG1-CG 4.19Å; N33-K169 PolarHBondContact O-N 3.34Å; E34-K169 HydrophobicContact CG-CD 4.35Å; E34-K169 WeakPolarHBondContact O-CB 3.06Å; E34-K169 IonicContact OE1-NZ 3.33Å; E34-K169 PolarHBondContact OE1-NZ 2.55Å; K169-R204 CarbonylContact O-C 3.57Å; K169-R204 VanDerWaalsContact O-CA 3.31Å; K169-R204 WeakPolarHBondContact O-CA 3.3Å; K169-D205 PolarHBondContact O-N 3.2Å
170	T	97.2	Very high	95.9	Very high	52 Å²	52	38.9 Å²	38.9	32%	0.319	19%	0.187	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-136.9	137.1	178.9	55.1	0	0	0	0	110.4	E34 D35 V36 T168 F203	E34-T170 PolarHBondContact O-N 3.06Å; E34-T170 VanDerWaalsContact O-N 3.14Å; E34-T170 PolarHBondContact O-OG1 3.44Å; D35-T170 WeakPolarHBondContact CA-O 3.31Å; D35-T170 PolarHBondContact OD1-OG1 3.47Å; V36-T170 PolarHBondContact N-O 3.33Å; T168-T170 WeakPolarHBondContact CG2-O 3.43Å; T170-F203 WeakPolarHBondContact CA-O 3.19Å
171	Q	96.4	Very high	95.9	Very high	6 Å²	6	41.9 Å²	41.9	3%	0.028	20%	0.203	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-144.4	147	173.1	62.8	179.1	-5.5	0	0	112.2	V36 T168 P202 F203 V206	V36-Q171 HydrophobicContact CB-CB 3.96Å; V36-Q171 CarbonylContact O-C 3.51Å; V36-Q171 WeakPolarHBondContact O-CA 3.41Å; T168-Q171 HydrophobicContact CG2-CB 3.99Å; Q171-P202 CarbonylContact O-C 3.6Å; Q171-P202 WeakPolarHBondContact O-CA 3.49Å; Q171-F203 HydrophobicContact CG-CB 3.88Å; Q171-F203 HydrophobicContact CG-CD2 4.12Å; Q171-F203 PolarHBondContact N-O 2.99Å; Q171-F203 PolarHBondContact O-N 2.92Å; Q171-V206 HydrophobicContact CG-CG2 4.21Å
172	T	97.3	Very high	95.9	Very high	52 Å²	52	40.5 Å²	40.5	32%	0.319	20%	0.2	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-130	146.3	174.5	53.4	0	0	0	0	109.4	V36 R38 P202	V36-T172 PolarHBondContact O-N 3.43Å; R38-T172 PolarHBondContact N-O 3.29Å; T172-P202 HydrophobicContact CG2-CB 3.9Å
173	M	97.6	Very high	95.9	Very high	4 Å²	4	45.1 Å²	45.1	2%	0.02	22%	0.222	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-125.9	124.8	175.1	173.5	-177.5	76.1	0	0	109.6	R38 V40 V175 Y200 F214	R38-M173 PolarHBondContact NH2-SD 2.91Å; R38-M173 CarbonylContact O-C 3.56Å; R38-M173 VanDerWaalsContact O-CA 3.3Å; R38-M173 WeakPolarHBondContact O-CA 3.1Å; V40-M173 HydrophobicContact CG2-CG 4.45Å; M173-V175 HydrophobicContact CE-CG2 3.91Å; M173-V175 HydrophobicContact CG-CG2 3.98Å; M173-V175 HydrophobicContact SD-CG2 4.03Å; M173-Y200 HydrophobicContact CE-CD1 4.03Å; M173-Y200 HydrophobicContact CE-CD2 3.43Å; M173-Y200 VanDerWaalsContact CE-CD2 3.43Å; M173-Y200 HydrophobicContact CE-CE1 4.38Å; M173-Y200 HydrophobicContact CE-CE2 3.85Å; M173-Y200 HydrophobicContact CE-CG 3.54Å; M173-Y200 PolarHBondContact N-O 3.49Å; M173-Y200 PolarHBondContact O-N 3.3Å; M173-F214 HydrophobicContact CE-CD2 3.79Å; M173-F214 HydrophobicContact CE-CE2 4Å; M173-F214 HydrophobicContact CE-CG 4.1Å; M173-F214 HydrophobicContact CE-CZ 4.47Å
174	R	97.6	Very high	96	Very high	116 Å²	116	46.9 Å²	46.9	44%	0.438	24%	0.238	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-110.5	128.3	170.6	174.5	165.5	-70.6	162.6	-1	109.1	R38 T39 V40 L197 L198 D199	R38-R174 PolarHBondContact O-N 2.93Å; T39-R174 CarbonylContact C-O 3.57Å; T39-R174 VanDerWaalsContact CA-O 3.31Å; T39-R174 WeakPolarHBondContact CA-O 3.4Å; V40-R174 PolarHBondContact N-O 3.45Å; R174-L197 HydrophobicContact CG-CD2 4.46Å; R174-L198 CarbonylContact C-O 3.56Å; R174-L198 WeakPolarHBondContact CA-O 3.43Å; R174-D199 WeakPolarHBondContact CB-OD1 3.36Å; R174-D199 WeakPolarHBondContact CG-OD1 3.44Å; R174-D199 IonicContact CZ-OD1 2.63Å; R174-D199 IonicContact CZ-OD2 2.69Å; R174-D199 IonicContact NE-OD1 2.62Å; R174-D199 PolarHBondContact NE-OD1 3.45Å; R174-D199 IonicContact NE-OD2 3.36Å; R174-D199 IonicContact NH2-OD1 3.75Å; R174-D199 PolarHBondContact NH2-OD1 3.18Å; R174-D199 IonicContact NH2-OD2 3.36Å; R174-D199 PolarHBondContact NH2-OD2 3Å
175	V	98.1	Very high	96.1	Very high	0 Å²	0	49.3 Å²	49.3	0%	0	25%	0.247	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-114.5	121.9	178	-172.1	0	0	0	0	108.8	V40 L42 M173 L177 L197 L198 F214	V40-V175 HydrophobicContact CB-CG1 4.41Å; V40-V175 HydrophobicContact CB-CG2 4.35Å; V40-V175 CarbonylContact O-C 3.51Å; V40-V175 WeakPolarHBondContact O-CA 3.32Å; L42-V175 HydrophobicContact CD1-CG1 3.79Å; L42-V175 HydrophobicContact CG-CG1 4.24Å; M173-V175 HydrophobicContact CE-CG2 3.91Å; M173-V175 HydrophobicContact CG-CG2 3.98Å; M173-V175 HydrophobicContact SD-CG2 4.03Å; V175-L177 HydrophobicContact CG1-CD2 3.91Å; V175-L197 CarbonylContact O-C 3.54Å; V175-L197 WeakPolarHBondContact O-CA 3.25Å; V175-L198 HydrophobicContact CB-CB 4.24Å; V175-L198 PolarHBondContact N-O 2.85Å; V175-L198 PolarHBondContact O-N 3.31Å; V175-F214 HydrophobicContact CB-CZ 4.41Å; V175-F214 HydrophobicContact CG1-CE1 4.41Å; V175-F214 HydrophobicContact CG1-CZ 4.17Å; V175-F214 HydrophobicContact CG2-CE1 4.12Å; V175-F214 HydrophobicContact CG2-CE2 4.39Å; V175-F214 HydrophobicContact CG2-CZ 3.75Å
176	K	97.9	Very high	96.3	Very high	76 Å²	76	50.5 Å²	50.5	33%	0.33	25%	0.254	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-98.7	128.7	175.5	175.3	-179	163.5	-145.4	0	109.7	V40 D41 L42 L197	V40-K176 PolarHBondContact O-N 3.44Å; D41-K176 IonicContact OD1-NZ 3.88Å; D41-K176 IonicContact OD2-NZ 2.91Å; D41-K176 PolarHBondContact OD2-NZ 3.23Å; L42-K176 PolarHBondContact N-O 3.41Å; K176-L197 HydrophobicContact CB-CD2 3.7Å; K176-L197 HydrophobicContact CG-CD2 3.98Å
177	L	97.8	Very high	96.4	Very high	2 Å²	2	57.7 Å²	57.7	1%	0.01	29%	0.285	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-109.3	161.3	-177	-55.6	179.2	0	0	0	110.8	L42 V175 S179 V182 D196 L198 V216 Y218	L42-L177 HydrophobicContact CD1-CD2 4.26Å; V175-L177 HydrophobicContact CG1-CD2 3.91Å; L177-S179 PolarHBondContact O-N 2.94Å; L177-V182 HydrophobicContact CD1-CG2 3.41Å; L177-V182 VanDerWaalsContact CD1-CG2 3.41Å; L177-D196 WeakPolarHBondContact CB-O 3.29Å; L177-D196 PolarHBondContact N-O 2.93Å; L177-L198 HydrophobicContact CD1-CD1 4Å; L177-L198 HydrophobicContact CD1-CG 4.28Å; L177-V216 HydrophobicContact CD1-CG2 4.36Å; L177-V216 HydrophobicContact CD2-CG1 4.45Å; L177-V216 HydrophobicContact CD2-CG2 4.2Å; L177-Y218 HydrophobicContact CB-CD2 3.95Å; L177-Y218 HydrophobicContact CB-CE2 4.27Å; L177-Y218 HydrophobicContact CD1-CG 4.36Å; L177-Y218 HydrophobicContact CD2-CD1 4.03Å; L177-Y218 HydrophobicContact CD2-CD2 4.08Å; L177-Y218 HydrophobicContact CD2-CE1 4.19Å; L177-Y218 HydrophobicContact CD2-CE2 4.23Å; L177-Y218 HydrophobicContact CD2-CG 4Å; L177-Y218 HydrophobicContact CG-CD2 4.43Å
178	A	96.1	Very high	96.3	Very high	37 Å²	37	57.3 Å²	57.3	31%	0.306	28%	0.28	S	S	.	.	S	Bend	trans	-69.1	-23.7	176.7	0	0	0	0	0	113.3	S43 Y218 N220	S43-A178 WeakPolarHBondContact O-CB 3.24Å; A178-Y218 HydrophobicContact CB-CE2 4.06Å; A178-N220 HydrophobicContact CB-CB 3.9Å; A178-N220 VanDerWaalsContact CB-CG 3.46Å; A178-N220 WeakPolarHBondContact CB-OD1 3.34Å
179	S	94.8	Very high	96	Very high	26 Å²	26	59.7 Å²	59.7	18%	0.182	31%	0.305	C	S	.	.	S	Bend	trans	-154.6	165.1	179.2	78.3	0	0	0	0	111.3	L177 N181 E219	L177-S179 PolarHBondContact O-N 2.94Å; S179-N181 PolarHBondContact O-N 3.1Å; S179-N181 PolarHBondContact OG-N 3.38Å; S179-E219 WeakPolarHBondContact OG-CB 3.44Å; S179-E219 PolarHBondContact OG-O 3.47Å
180	R	95.8	Very high	95.7	Very high	178 Å²	178	63.4 Å²	63.4	67%	0.672	33%	0.328	S	S	*	.	S	Bend	trans	-68.3	-7.9	173.4	68.4	-177	178.2	-169.4	-2.6	114.1	V182 R193 E195	R180-V182 PolarHBondContact O-N 2.88Å; R180-R193 PolarHBondContact O-NH2 3.02Å; R180-E195 WeakPolarHBondContact CA-O 3.45Å; R180-E195 WeakPolarHBondContact CB-O 3.42Å
181	N	95.7	Very high	95.6	Very high	67 Å²	67	61.7 Å²	61.7	36%	0.358	32%	0.318	S	S	.	.			trans	-90	105.4	-173	-71.3	-23.4	0	0	0	110.6	S179 Y218 E219	S179-N181 PolarHBondContact O-N 3.1Å; S179-N181 PolarHBondContact OG-N 3.38Å; N181-Y218 CarbonylContact O-C 3.59Å; N181-Y218 WeakPolarHBondContact O-CA 3.37Å; N181-Y218 WeakPolarHBondContact O-CB 3.33Å; N181-E219 HydrophobicContact CB-CB 3.83Å; N181-E219 WeakPolarHBondContact CB-OE2 3.43Å; N181-E219 PolarHBondContact ND2-OE2 3.39Å; N181-E219 PolarHBondContact O-N 3.42Å
182	V	96.3	Very high	95.5	Very high	22 Å²	22	65.5 Å²	65.5	13%	0.133	34%	0.342	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-120.2	123.1	-177.6	-169.1	0	0	0	0	108.9	L177 R180 Y185 V216 H217	L177-V182 HydrophobicContact CD1-CG2 3.41Å; L177-V182 VanDerWaalsContact CD1-CG2 3.41Å; R180-V182 PolarHBondContact O-N 2.88Å; V182-Y185 HydrophobicContact CG1-CD1 3.71Å; V182-Y185 HydrophobicContact CG1-CE1 4.48Å; V182-V216 HydrophobicContact CG1-CG2 4.03Å; V182-H217 WeakPolarHBondContact CG1-O 3.35Å
183	E	95.6	Very high	95.3	Very high	123 Å²	123	68.4 Å²	68.4	58%	0.575	35%	0.347	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-80.5	-49.6	178.3	-72.6	-67.4	154	0	0	110.9	F153 H217	F153-E183 HydrophobicContact CD1-CG 3.68Å; F153-E183 HydrophobicContact CE1-CG 3.59Å; F153-E183 WeakPolarHBondContact CE1-OE1 3.15Å; E183-H217 HydrophobicContact CB-CB 4.21Å; E183-H217 VanDerWaalsContact CB-ND1 3.33Å; E183-H217 WeakPolarHBondContact CB-ND1 3.5Å; E183-H217 PolarHBondContact N-O 2.97Å
184	S	96.5	Very high	95	Very high	62 Å²	62	71.3 Å²	71.3	43%	0.434	37%	0.367	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-153.7	151.1	178.6	63.5	0	0	0	0	112	V216 H217	S184-V216 WeakPolarHBondContact O-CA 3.36Å; S184-H217 PolarHBondContact N-O 2.87Å; S184-H217 PolarHBondContact O-N 3Å
185	Y	96.7	Very high	94.7	Very high	55 Å²	55	73.5 Å²	73.5	22%	0.216	38%	0.383	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-152.7	150.2	173.4	58.8	-82.2	0	0	0	109.9	V182 K187 P191 L198 Y200 K215	V182-Y185 HydrophobicContact CG1-CD1 3.71Å; V182-Y185 HydrophobicContact CG1-CE1 4.48Å; Y185-K187 HydrophobicContact CD2-CG 4.49Å; Y185-K187 HydrophobicContact CE2-CG 4.27Å; Y185-P191 HydrophobicContact CD2-CG 4.25Å; Y185-P191 HydrophobicContact CE2-CG 3.83Å; Y185-L198 HydrophobicContact CD2-CD2 4.38Å; Y185-L198 HydrophobicContact CE1-CD2 4.49Å; Y185-L198 HydrophobicContact CE2-CD2 4.29Å; Y185-L198 HydrophobicContact CG-CD1 4.28Å; Y185-L198 HydrophobicContact CG-CD2 4.5Å; Y185-Y200 WeakPolarHBondContact CD2-OH 3.37Å; Y185-K215 VanDerWaalsContact CA-O 3.28Å; Y185-K215 WeakPolarHBondContact CA-O 3.5Å
186	T	96.3	Very high	94.5	Very high	40 Å²	40	76.2 Å²	76.2	25%	0.245	40%	0.397	C	S	.	.			trans	-67.9	134.3	179.5	46.2	0	0	0	0	111.3	H160 L188 Y200 F214 K215	H160-T186 PolarHBondContact CE1-OG1 2.88Å; H160-T186 PolarHBondContact NE2-OG1 3.2Å; T186-L188 PolarHBondContact O-N 3.15Å; T186-Y200 WeakPolarHBondContact O-CE1 3.3Å; T186-Y200 VanDerWaalsContact O-CZ 3.29Å; T186-Y200 PolarHBondContact O-OH 3.48Å; T186-F214 WeakPolarHBondContact OG1-CD2 3.42Å; T186-K215 HydrophobicContact CG2-CB 4.02Å; T186-K215 PolarHBondContact N-O 3.02Å; T186-K215 VanDerWaalsContact N-O 3.08Å; T186-K215 PolarHBondContact OG1-N 3.05Å
187	K	93.6	Very high	94.5	Very high	160 Å²	160	74.9 Å²	74.9	70%	0.696	39%	0.393	S	S	*	.			trans	-104.8	60.2	-172.7	-63.8	-175.7	-178.5	179.6	0	113.1	Y185	Y185-K187 HydrophobicContact CD2-CG 4.49Å; Y185-K187 HydrophobicContact CE2-CG 4.27Å
188	L	93.2	Very high	94.4	Very high	49 Å²	49	74.8 Å²	74.8	26%	0.257	39%	0.393	S	S	.	.	T	Hydrogen-bonded Turn	trans	-84.2	120.5	174.4	-173.2	73.1	0	0	0	110.8	H160 Y161 T186 Y200 F203	H160-L188 HydrophobicContact CB-CD2 3.72Å; Y161-L188 HydrophobicContact CE1-CD2 3.91Å; T186-L188 PolarHBondContact O-N 3.15Å; L188-Y200 WeakPolarHBondContact O-CD1 3.48Å; L188-F203 HydrophobicContact CD2-CE1 3.77Å; L188-F203 HydrophobicContact CD2-CZ 3.78Å; L188-F203 HydrophobicContact CG-CE1 3.85Å; L188-F203 HydrophobicContact CG-CZ 4.1Å
189	G	89.2	Confident	94.5	Very high	53 Å²	53	74.8 Å²	74.8	55%	0.546	39%	0.388	S	S	.	.	T	Hydrogen-bonded Turn	trans	74.5	26.4	174.5	0	0	0	0	0	115.6
190	N	91.1	Very high	94.6	Very high	151 Å²	151	73.8 Å²	73.8	81%	0.807	38%	0.38	S	S	*	.			trans	52.3	61.6	-178.7	-63.9	-34.2	0	0	0	113.5
191	P	94.4	Very high	94.2	Very high	17 Å²	17	66.8 Å²	66.8	11%	0.11	36%	0.363	C	S	.	.			trans	-59.3	140.5	-178.1	26.8	-36.9	0	0	0	112.1	Y185 D199 Y200	Y185-P191 HydrophobicContact CD2-CG 4.25Å; Y185-P191 HydrophobicContact CE2-CG 3.83Å; P191-D199 CarbonylContact C-O 3.6Å; P191-D199 WeakPolarHBondContact CA-O 3.49Å; P191-D199 VanDerWaalsContact CB-O 3.27Å; P191-D199 WeakPolarHBondContact CB-O 3.45Å; P191-Y200 HydrophobicContact CB-CD1 3.8Å; P191-Y200 HydrophobicContact CB-CD2 3.9Å; P191-Y200 HydrophobicContact CB-CE1 3.73Å; P191-Y200 HydrophobicContact CB-CE2 3.82Å; P191-Y200 HydrophobicContact CB-CG 3.88Å; P191-Y200 HydrophobicContact CG-CD1 4.21Å; P191-Y200 HydrophobicContact CG-CE1 3.73Å; P191-Y200 HydrophobicContact CG-CE2 4.42Å
192	T	94.3	Very high	94.1	Very high	85 Å²	85	67.7 Å²	67.7	52%	0.521	37%	0.373	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-93	139.1	175.8	51.6	0	0	0	0	110.3	D199	T192-D199 PolarHBondContact N-O 3.25Å; T192-D199 PolarHBondContact O-N 2.99Å; T192-D199 WeakPolarHBondContact OG1-CB 3.46Å
193	R	93.2	Very high	94.1	Very high	114 Å²	114	67.8 Å²	67.8	43%	0.43	37%	0.372	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-111.3	127.8	177.9	177.2	175	166.1	-161.6	-5.4	109.7	R180 L197 L198	R180-R193 PolarHBondContact O-NH2 3.02Å; R193-L197 WeakPolarHBondContact CA-O 3.29Å; R193-L198 HydrophobicContact CB-CD2 3.81Å; R193-L198 HydrophobicContact CG-CD2 3.8Å
194	S	91.1	Very high	94.1	Very high	64 Å²	64	71.3 Å²	71.3	45%	0.448	38%	0.38	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-130.6	103.1	179.9	-62.4	0	0	0	0	108.6	D196 L197	S194-D196 PolarHBondContact O-N 2.87Å; S194-L197 PolarHBondContact N-O 3.43Å; S194-L197 WeakPolarHBondContact O-CB 3.45Å; S194-L197 PolarHBondContact O-N 3.37Å
195	E	91.2	Very high	93.9	Very high	163 Å²	163	74.5 Å²	74.5	76%	0.762	39%	0.392	S	S	*	.	T	Hydrogen-bonded Turn	trans	53.4	-101.2	-176.9	-57.7	-171.9	171.2	0	0	113.4	R180	R180-E195 WeakPolarHBondContact CA-O 3.45Å; R180-E195 WeakPolarHBondContact CB-O 3.42Å
196	D	94.4	Very high	93.9	Very high	57 Å²	57	72.4 Å²	72.4	31%	0.305	39%	0.385	S	S	.	.	T	Hydrogen-bonded Turn	trans	-104.7	4.1	179.2	64.1	-16.5	0	0	0	113.6	L177 S194	L177-D196 WeakPolarHBondContact CB-O 3.29Å; L177-D196 PolarHBondContact N-O 2.93Å; S194-D196 PolarHBondContact O-N 2.87Å
197	L	96.9	Very high	93.8	Very high	47 Å²	47	74.7 Å²	74.7	25%	0.246	40%	0.4	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-106.9	141.1	178.4	-58.7	177.2	0	0	0	112.4	R174 V175 K176 R193 S194	R174-L197 HydrophobicContact CG-CD2 4.46Å; V175-L197 CarbonylContact O-C 3.54Å; V175-L197 WeakPolarHBondContact O-CA 3.25Å; K176-L197 HydrophobicContact CB-CD2 3.7Å; K176-L197 HydrophobicContact CG-CD2 3.98Å; R193-L197 WeakPolarHBondContact CA-O 3.29Å; S194-L197 PolarHBondContact N-O 3.43Å; S194-L197 WeakPolarHBondContact O-CB 3.45Å; S194-L197 PolarHBondContact O-N 3.37Å
198	L	96.8	Very high	93.7	Very high	1 Å²	1	69 Å²	69	1%	0.005	38%	0.383	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-118.8	120.9	168.6	-60	169.7	0	0	0	110	R174 V175 L177 Y185 R193 Y200 V216	R174-L198 CarbonylContact C-O 3.56Å; R174-L198 WeakPolarHBondContact CA-O 3.43Å; V175-L198 HydrophobicContact CB-CB 4.24Å; V175-L198 PolarHBondContact N-O 2.85Å; V175-L198 PolarHBondContact O-N 3.31Å; L177-L198 HydrophobicContact CD1-CD1 4Å; L177-L198 HydrophobicContact CD1-CG 4.28Å; Y185-L198 HydrophobicContact CD2-CD2 4.38Å; Y185-L198 HydrophobicContact CE1-CD2 4.49Å; Y185-L198 HydrophobicContact CE2-CD2 4.29Å; Y185-L198 HydrophobicContact CG-CD1 4.28Å; Y185-L198 HydrophobicContact CG-CD2 4.5Å; R193-L198 HydrophobicContact CB-CD2 3.81Å; R193-L198 HydrophobicContact CG-CD2 3.8Å; L198-Y200 HydrophobicContact CB-CD2 4.47Å; L198-Y200 HydrophobicContact CB-CE2 3.96Å; L198-V216 HydrophobicContact CD1-CG2 4.07Å
199	D	97	Very high	93.6	Very high	37 Å²	37	69.1 Å²	69.1	20%	0.198	38%	0.38	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-107.3	126.8	179.8	-77	-20.9	0	0	0	110.6	R174 P191 T192	R174-D199 WeakPolarHBondContact CB-OD1 3.36Å; R174-D199 WeakPolarHBondContact CG-OD1 3.44Å; R174-D199 IonicContact CZ-OD1 2.63Å; R174-D199 IonicContact CZ-OD2 2.69Å; R174-D199 IonicContact NE-OD1 2.62Å; R174-D199 PolarHBondContact NE-OD1 3.45Å; R174-D199 IonicContact NE-OD2 3.36Å; R174-D199 IonicContact NH2-OD1 3.75Å; R174-D199 PolarHBondContact NH2-OD1 3.18Å; R174-D199 IonicContact NH2-OD2 3.36Å; R174-D199 PolarHBondContact NH2-OD2 3Å; P191-D199 CarbonylContact C-O 3.6Å; P191-D199 WeakPolarHBondContact CA-O 3.49Å; P191-D199 VanDerWaalsContact CB-O 3.27Å; P191-D199 WeakPolarHBondContact CB-O 3.45Å; T192-D199 PolarHBondContact N-O 3.25Å; T192-D199 PolarHBondContact O-N 2.99Å; T192-D199 WeakPolarHBondContact OG1-CB 3.46Å
200	Y	96.4	Very high	93.8	Very high	4 Å²	4	67.2 Å²	67.2	2%	0.016	36%	0.359	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-119.5	145.3	-180	-75.1	-106.8	0	0	0	111.4	H160 M173 Y185 T186 L188 P191 L198 F203 F214	H160-Y200 AromaticContact CD2-CD1 3.8Å; H160-Y200 AromaticContact CD2-CE1 3.68Å; H160-Y200 AromaticContact NE2-CE1 3.64Å; M173-Y200 HydrophobicContact CE-CD1 4.03Å; M173-Y200 HydrophobicContact CE-CD2 3.43Å; M173-Y200 VanDerWaalsContact CE-CD2 3.43Å; M173-Y200 HydrophobicContact CE-CE1 4.38Å; M173-Y200 HydrophobicContact CE-CE2 3.85Å; M173-Y200 HydrophobicContact CE-CG 3.54Å; M173-Y200 PolarHBondContact N-O 3.49Å; M173-Y200 PolarHBondContact O-N 3.3Å; Y185-Y200 WeakPolarHBondContact CD2-OH 3.37Å; T186-Y200 WeakPolarHBondContact O-CE1 3.3Å; T186-Y200 VanDerWaalsContact O-CZ 3.29Å; T186-Y200 PolarHBondContact O-OH 3.48Å; L188-Y200 WeakPolarHBondContact O-CD1 3.48Å; P191-Y200 HydrophobicContact CB-CD1 3.8Å; P191-Y200 HydrophobicContact CB-CD2 3.9Å; P191-Y200 HydrophobicContact CB-CE1 3.73Å; P191-Y200 HydrophobicContact CB-CE2 3.82Å; P191-Y200 HydrophobicContact CB-CG 3.88Å; P191-Y200 HydrophobicContact CG-CD1 4.21Å; P191-Y200 HydrophobicContact CG-CE1 3.73Å; P191-Y200 HydrophobicContact CG-CE2 4.42Å; L198-Y200 HydrophobicContact CB-CD2 4.47Å; L198-Y200 HydrophobicContact CB-CE2 3.96Å; Y200-F203 HydrophobicContact CD1-CZ 4.38Å; Y200-F214 HydrophobicContact CE1-CD2 4.49Å; Y200-F214 HydrophobicContact CE2-CD2 4.44Å; Y200-F214 AromaticContact CE2-CE2 3.85Å; Y200-F214 HydrophobicContact CE2-CE2 3.85Å; Y200-F214 AromaticContact CZ-CE2 3.73Å; Y200-F214 WeakPolarHBondContact OH-CE2 3.29Å
201	G	89.2	Confident	93.9	Very high	31 Å²	31	64.4 Å²	64.4	32%	0.32	34%	0.341	S	S	.	.	E	Extended strand (participates in β ladder)	trans	84.2	-166.2	-179.1	0	0	0	0	0	112.5
202	P	93.6	Very high	93.8	Very high	87 Å²	87	66.5 Å²	66.5	57%	0.565	35%	0.351	S	S	*	.	E	Extended strand (participates in β ladder)	cis	-72.6	133.6	11.6	28.8	-35.2	0	0	0	113.4	Q171 T172	Q171-P202 CarbonylContact O-C 3.6Å; Q171-P202 WeakPolarHBondContact O-CA 3.49Å; T172-P202 HydrophobicContact CG2-CB 3.9Å
203	F	94.8	Very high	93.8	Very high	23 Å²	23	65.8 Å²	65.8	10%	0.101	35%	0.347	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-89.8	137.4	168.6	-53	-70.1	0	0	0	109.3	Y161 T170 Q171 L188 Y200 V206	Y161-F203 HydrophobicContact CD1-CD2 4.14Å; Y161-F203 HydrophobicContact CD1-CG 4.32Å; Y161-F203 HydrophobicContact CE1-CB 4.31Å; Y161-F203 HydrophobicContact CE1-CD1 4.06Å; Y161-F203 HydrophobicContact CE1-CD2 4.08Å; Y161-F203 HydrophobicContact CE1-CE1 4.42Å; Y161-F203 HydrophobicContact CE1-CE2 4.43Å; Y161-F203 AromaticContact CE1-CG 3.88Å; Y161-F203 HydrophobicContact CE1-CG 3.88Å; T170-F203 WeakPolarHBondContact CA-O 3.19Å; Q171-F203 HydrophobicContact CG-CB 3.88Å; Q171-F203 HydrophobicContact CG-CD2 4.12Å; Q171-F203 PolarHBondContact N-O 2.99Å; Q171-F203 PolarHBondContact O-N 2.92Å; L188-F203 HydrophobicContact CD2-CE1 3.77Å; L188-F203 HydrophobicContact CD2-CZ 3.78Å; L188-F203 HydrophobicContact CG-CE1 3.85Å; L188-F203 HydrophobicContact CG-CZ 4.1Å; Y200-F203 HydrophobicContact CD1-CZ 4.38Å; F203-V206 HydrophobicContact CB-CG2 3.97Å
204	R	95.2	Very high	93.9	Very high	198 Å²	198	60.5 Å²	60.5	75%	0.747	33%	0.327	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-111.2	142.6	-177.8	-63.2	-173.7	-179.2	-174.6	-0.1	111.3	K169	K169-R204 CarbonylContact O-C 3.57Å; K169-R204 VanDerWaalsContact O-CA 3.31Å; K169-R204 WeakPolarHBondContact O-CA 3.3Å
205	D	94.1	Very high	94.2	Very high	129 Å²	129	61.3 Å²	61.3	69%	0.69	32%	0.322	S	S	*	.	E	Extended strand (participates in β ladder)	trans	50.8	59	172	-59.8	-54.3	0	0	0	113.9	T168 K169	T168-D205 CarbonylContact O-C 3.55Å; T168-D205 WeakPolarHBondContact O-CA 3.5Å; K169-D205 PolarHBondContact O-N 3.2Å
206	V	94.9	Very high	94.5	Very high	10 Å²	10	53.5 Å²	53.5	6%	0.061	29%	0.286	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-84.3	125.4	-177.5	175.1	0	0	0	0	109.5	Y161 T168 Q171 F203 S210	Y161-V206 HydrophobicContact CD1-CG1 4.47Å; Y161-V206 HydrophobicContact CD1-CG2 4.49Å; Y161-V206 HydrophobicContact CG-CG1 4.23Å; T168-V206 PolarHBondContact N-O 3.38Å; T168-V206 PolarHBondContact O-N 3.28Å; Q171-V206 HydrophobicContact CG-CG2 4.21Å; F203-V206 HydrophobicContact CB-CG2 3.97Å; V206-S210 WeakPolarHBondContact CG1-OG 3.49Å
207	P	94.7	Very high	94.7	Very high	88 Å²	88	51.9 Å²	51.9	57%	0.571	28%	0.276	S	S	*	.	P	Polyproline II helix	trans	-67.7	160.3	-178.2	24.7	-29.9	0	0	0	112.2	S210	P207-S210 VanDerWaalsContact CD-OG 3.24Å; P207-S210 WeakPolarHBondContact CD-OG 3.47Å; P207-S210 VanDerWaalsContact CG-OG 3.3Å; P207-S210 WeakPolarHBondContact CG-OG 3.27Å; P207-S210 WeakPolarHBondContact O-CB 3.45Å; P207-S210 PolarHBondContact O-N 3.23Å; P207-S210 PolarHBondContact O-OG 2.89Å
208	A	91.8	Very high	94.8	Very high	40 Å²	40	49.7 Å²	49.7	33%	0.331	27%	0.265	S	S	.	.	T	Hydrogen-bonded Turn	trans	-57.6	146.1	172.8	0	0	0	0	0	110.8	P165 S210	P165-A208 WeakPolarHBondContact O-CB 3.36Å; A208-S210 VanDerWaalsContact C-N 3.26Å; A208-S210 PolarHBondContact O-N 3.06Å
209	Y	91.6	Very high	94.8	Very high	53 Å²	53	50.1 Å²	50.1	21%	0.208	27%	0.267	C	S	.	.	T	Hydrogen-bonded Turn	trans	58.1	33	-178.6	-61.2	-89.6	0	0	0	114.4	A72 K108 F112 Y163 S164 P165 Q211	A72-Y209 HydrophobicContact CB-CE1 4.49Å; K108-Y209 HydrophobicContact CD-CE1 4Å; K108-Y209 HydrophobicContact CD-CE2 4.25Å; K108-Y209 WeakPolarHBondContact CD-OH 3.47Å; K108-Y209 PolarHBondContact NZ-OH 3.02Å; F112-Y209 AromaticContact CE1-CE1 3.91Å; F112-Y209 HydrophobicContact CE1-CE1 3.91Å; F112-Y209 HydrophobicContact CZ-CE1 4.31Å; Y163-Y209 HydrophobicContact CE1-CD1 4.28Å; Y163-Y209 AromaticContact CE2-CD1 3.96Å; Y163-Y209 HydrophobicContact CE2-CD1 3.96Å; Y163-Y209 AromaticContact CZ-CD1 3.66Å; Y163-Y209 WeakPolarHBondContact OH-CD1 3.43Å; S164-Y209 PolarHBondContact O-N 3.31Å; P165-Y209 VanDerWaalsContact CA-CE2 3.41Å; P165-Y209 HydrophobicContact CB-CE2 3.76Å; P165-Y209 WeakPolarHBondContact CB-OH 3.43Å; Y209-Q211 PolarHBondContact O-N 3.47Å
210	S	93.4	Very high	94.9	Very high	13 Å²	13	48.3 Å²	48.3	9%	0.091	26%	0.257	C	S	.	.			trans	-68.2	124.4	175.7	-70.4	0	0	0	0	111.8	N159 V206 P207 A208	N159-S210 PolarHBondContact ND2-O 3.47Å; N159-S210 VanDerWaalsContact ND2-O 3.11Å; V206-S210 WeakPolarHBondContact CG1-OG 3.49Å; P207-S210 VanDerWaalsContact CD-OG 3.24Å; P207-S210 WeakPolarHBondContact CD-OG 3.47Å; P207-S210 VanDerWaalsContact CG-OG 3.3Å; P207-S210 WeakPolarHBondContact CG-OG 3.27Å; P207-S210 WeakPolarHBondContact O-CB 3.45Å; P207-S210 PolarHBondContact O-N 3.23Å; P207-S210 PolarHBondContact O-OG 2.89Å; A208-S210 VanDerWaalsContact C-N 3.26Å; A208-S210 PolarHBondContact O-N 3.06Å
211	Q	92.5	Very high	94.8	Very high	92 Å²	92	49.7 Å²	49.7	43%	0.43	27%	0.265	S	S	.	.			trans	-130	125.9	178.9	-173.4	176.1	1.7	0	0	109.1	E76 Y209	E76-Q211 PolarHBondContact OE1-NE2 3.33Å; Y209-Q211 PolarHBondContact O-N 3.47Å
212	D	93.5	Very high	95.1	Very high	61 Å²	61	50 Å²	50	33%	0.326	26%	0.262	S	S	.	.			trans	-148.8	130.2	173.1	-175.9	64.8	0	0	0	109.3	N159 H160 Y161 F214	N159-D212 CarbonylContact C-O 3.58Å; N159-D212 VanDerWaalsContact CA-O 3.3Å; N159-D212 WeakPolarHBondContact CA-O 3.43Å; N159-D212 PolarHBondContact OD1-N 2.91Å; N159-D212 PolarHBondContact OD1-O 3.21Å; H160-D212 HydrophobicContact CB-CB 4.37Å; H160-D212 IonicContact CE1-OD2 2.67Å; H160-D212 PolarHBondContact CE1-OD2 3.18Å; H160-D212 IonicContact CG-OD2 3.88Å; H160-D212 PolarHBondContact N-O 3.38Å; H160-D212 IonicContact ND1-OD2 3.31Å; H160-D212 PolarHBondContact ND1-OD2 2.66Å; Y161-D212 HydrophobicContact CD2-CB 3.8Å; Y161-D212 HydrophobicContact CE2-CB 3.58Å; D212-F214 PolarHBondContact O-N 3.06Å
213	T	93.9	Very high	95.1	Very high	70 Å²	70	49.6 Å²	49.6	43%	0.429	26%	0.259	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-71.2	115.2	-169.8	-52.8	0	0	0	0	111.6	H160	H160-T213 PolarHBondContact CE1-O 2.91Å; H160-T213 PolarHBondContact ND1-O 2.76Å
214	F	96.1	Very high	95.2	Very high	2 Å²	2	48.7 Å²	48.7	1%	0.009	26%	0.255	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-91.9	131.7	166.8	167.2	-108.1	0	0	0	109.3	F156 E157 G158 H160 M173 V175 T186 Y200 D212 V216	F156-F214 HydrophobicContact CD1-CD1 4.04Å; F156-F214 AromaticContact CD1-CE1 3.77Å; F156-F214 HydrophobicContact CD1-CE1 3.77Å; F156-F214 HydrophobicContact CE1-CD1 4.03Å; F156-F214 HydrophobicContact CE1-CE1 4.02Å; E157-F214 CarbonylContact C-O 3.45Å; E157-F214 WeakPolarHBondContact CA-O 3.5Å; G158-F214 PolarHBondContact N-O 2.74Å; G158-F214 PolarHBondContact O-N 2.97Å; H160-F214 AromaticContact CD2-CD2 3.89Å; H160-F214 AromaticContact NE2-CD2 3.75Å; M173-F214 HydrophobicContact CE-CD2 3.79Å; M173-F214 HydrophobicContact CE-CE2 4Å; M173-F214 HydrophobicContact CE-CG 4.1Å; M173-F214 HydrophobicContact CE-CZ 4.47Å; V175-F214 HydrophobicContact CB-CZ 4.41Å; V175-F214 HydrophobicContact CG1-CE1 4.41Å; V175-F214 HydrophobicContact CG1-CZ 4.17Å; V175-F214 HydrophobicContact CG2-CE1 4.12Å; V175-F214 HydrophobicContact CG2-CE2 4.39Å; V175-F214 HydrophobicContact CG2-CZ 3.75Å; T186-F214 WeakPolarHBondContact OG1-CD2 3.42Å; Y200-F214 HydrophobicContact CE1-CD2 4.49Å; Y200-F214 HydrophobicContact CE2-CD2 4.44Å; Y200-F214 AromaticContact CE2-CE2 3.85Å; Y200-F214 HydrophobicContact CE2-CE2 3.85Å; Y200-F214 AromaticContact CZ-CE2 3.73Å; Y200-F214 WeakPolarHBondContact OH-CE2 3.29Å; D212-F214 PolarHBondContact O-N 3.06Å; F214-V216 HydrophobicContact CE1-CB 4.39Å; F214-V216 HydrophobicContact CE1-CG1 3.89Å; F214-V216 HydrophobicContact CE2-CB 4.42Å; F214-V216 HydrophobicContact CZ-CB 3.82Å; F214-V216 HydrophobicContact CZ-CG1 3.74Å
215	K	97.2	Very high	95.3	Very high	81 Å²	81	39.4 Å²	39.4	35%	0.352	22%	0.22	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-138	134.1	176.7	-178.9	172.1	-179	152.1	0	110.4	V155 F156 E157 Y185 T186	V155-K215 HydrophobicContact CG1-CD 4.34Å; V155-K215 VanDerWaalsContact CG1-CE 3.47Å; V155-K215 HydrophobicContact CG1-CG 4.13Å; F156-K215 VanDerWaalsContact O-CA 3.31Å; F156-K215 WeakPolarHBondContact O-CA 3.1Å; E157-K215 HydrophobicContact CG-CB 4.32Å; E157-K215 HydrophobicContact CG-CD 4.01Å; E157-K215 HydrophobicContact CG-CG 3.96Å; E157-K215 WeakPolarHBondContact OE1-CD 3.31Å; E157-K215 VanDerWaalsContact OE1-CE 3.32Å; E157-K215 WeakPolarHBondContact OE1-CE 3.38Å; E157-K215 IonicContact OE1-NZ 3.37Å; E157-K215 PolarHBondContact OE1-NZ 3.4Å; Y185-K215 VanDerWaalsContact CA-O 3.28Å; Y185-K215 WeakPolarHBondContact CA-O 3.5Å; T186-K215 HydrophobicContact CG2-CB 4.02Å; T186-K215 PolarHBondContact N-O 3.02Å; T186-K215 VanDerWaalsContact N-O 3.08Å; T186-K215 PolarHBondContact OG1-N 3.05Å
216	V	97.6	Very high	95.5	Very high	0 Å²	0	33.3 Å²	33.3	0%	0	19%	0.188	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-133.9	135.7	174.8	61.2	0	0	0	0	110.7	L42 V155 F156 L177 V182 S184 L198 F214 Y218	L42-V216 HydrophobicContact CD1-CG1 3.91Å; V155-V216 WeakPolarHBondContact CA-O 3.45Å; F156-V216 HydrophobicContact CB-CG1 3.93Å; F156-V216 HydrophobicContact CD1-CG1 4.37Å; F156-V216 PolarHBondContact N-O 3.03Å; F156-V216 PolarHBondContact O-N 3.18Å; L177-V216 HydrophobicContact CD1-CG2 4.36Å; L177-V216 HydrophobicContact CD2-CG1 4.45Å; L177-V216 HydrophobicContact CD2-CG2 4.2Å; V182-V216 HydrophobicContact CG1-CG2 4.03Å; S184-V216 WeakPolarHBondContact O-CA 3.36Å; L198-V216 HydrophobicContact CD1-CG2 4.07Å; F214-V216 HydrophobicContact CE1-CB 4.39Å; F214-V216 HydrophobicContact CE1-CG1 3.89Å; F214-V216 HydrophobicContact CE2-CB 4.42Å; F214-V216 HydrophobicContact CZ-CB 3.82Å; F214-V216 HydrophobicContact CZ-CG1 3.74Å; V216-Y218 HydrophobicContact CG1-CD1 4.14Å; V216-Y218 HydrophobicContact CG1-CE1 4.29Å; V216-Y218 HydrophobicContact CG2-CD1 4.02Å
217	H	98.2	Very high	95.7	Very high	23 Å²	23	32.9 Å²	32.9	11%	0.106	19%	0.185	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-120.6	115.5	175.8	-179.4	-152.9	0	0	0	108.5	Y142 F153 V154 V155 V182 E183 S184	Y142-H217 AromaticContact CD1-CE1 3.56Å; Y142-H217 AromaticContact CD1-NE2 3.62Å; Y142-H217 PolarHBondContact O-NE2 3.08Å; F153-H217 WeakPolarHBondContact CB-NE2 2.95Å; V154-H217 WeakPolarHBondContact O-CA 3.33Å; V154-H217 PolarHBondContact O-CD2 3.14Å; V155-H217 HydrophobicContact CG2-CB 3.97Å; V182-H217 WeakPolarHBondContact CG1-O 3.35Å; E183-H217 HydrophobicContact CB-CB 4.21Å; E183-H217 VanDerWaalsContact CB-ND1 3.33Å; E183-H217 WeakPolarHBondContact CB-ND1 3.5Å; E183-H217 PolarHBondContact N-O 2.97Å; S184-H217 PolarHBondContact N-O 2.87Å; S184-H217 PolarHBondContact O-N 3Å
218	Y	98.1	Very high	95.9	Very high	0 Å²	0	31.2 Å²	31.2	0%	0	17%	0.173	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-148.7	162.1	-169.4	69.3	-74.8	0	0	0	111.9	L42 F153 V154 L177 A178 N181 V216 N220	L42-Y218 WeakPolarHBondContact CB-OH 3.5Å; L42-Y218 HydrophobicContact CD1-CE1 4.4Å; L42-Y218 PolarHBondContact O-OH 3.42Å; F153-Y218 CarbonylContact C-O 3.53Å; F153-Y218 VanDerWaalsContact CA-O 3.26Å; F153-Y218 WeakPolarHBondContact CA-O 3.4Å; V154-Y218 HydrophobicContact CG2-CD1 4.12Å; V154-Y218 HydrophobicContact CG2-CE1 3.48Å; V154-Y218 VanDerWaalsContact CG2-CE1 3.48Å; V154-Y218 HydrophobicContact CG2-CE2 4.08Å; V154-Y218 VanDerWaalsContact CG2-CZ 3.41Å; V154-Y218 WeakPolarHBondContact CG2-OH 3.45Å; V154-Y218 PolarHBondContact N-O 2.91Å; V154-Y218 PolarHBondContact O-N 3.28Å; V154-Y218 VanDerWaalsContact O-N 3.07Å; L177-Y218 HydrophobicContact CB-CD2 3.95Å; L177-Y218 HydrophobicContact CB-CE2 4.27Å; L177-Y218 HydrophobicContact CD1-CG 4.36Å; L177-Y218 HydrophobicContact CD2-CD1 4.03Å; L177-Y218 HydrophobicContact CD2-CD2 4.08Å; L177-Y218 HydrophobicContact CD2-CE1 4.19Å; L177-Y218 HydrophobicContact CD2-CE2 4.23Å; L177-Y218 HydrophobicContact CD2-CG 4Å; L177-Y218 HydrophobicContact CG-CD2 4.43Å; A178-Y218 HydrophobicContact CB-CE2 4.06Å; N181-Y218 CarbonylContact O-C 3.59Å; N181-Y218 WeakPolarHBondContact O-CA 3.37Å; N181-Y218 WeakPolarHBondContact O-CB 3.33Å; V216-Y218 HydrophobicContact CG1-CD1 4.14Å; V216-Y218 HydrophobicContact CG1-CE1 4.29Å; V216-Y218 HydrophobicContact CG2-CD1 4.02Å; Y218-N220 HydrophobicContact CD2-CB 4.23Å; Y218-N220 HydrophobicContact CE2-CB 3.62Å; Y218-N220 PolarHBondContact OH-ND2 3.33Å; Y218-N220 VanDerWaalsContact OH-ND2 3.15Å
219	E	98	Very high	96.2	Very high	10 Å²	10	31.2 Å²	31.2	5%	0.047	17%	0.171	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-77.2	122.6	175.9	179.1	-175.6	167.2	0	0	110.2	K151 Q152 F153 S179 N181 N221	K151-E219 HydrophobicContact CB-CG 4.37Å; K151-E219 WeakPolarHBondContact CD-OE1 3.46Å; K151-E219 WeakPolarHBondContact CE-OE1 3.14Å; K151-E219 IonicContact NZ-OE1 3.84Å; K151-E219 PolarHBondContact NZ-OE1 2.99Å; K151-E219 IonicContact NZ-OE2 3.66Å; K151-E219 PolarHBondContact NZ-OE2 3.01Å; Q152-E219 WeakPolarHBondContact O-CA 3.48Å; F153-E219 HydrophobicContact CD1-CB 3.98Å; F153-E219 HydrophobicContact CE1-CB 3.71Å; F153-E219 HydrophobicContact CZ-CB 4.08Å; S179-E219 WeakPolarHBondContact OG-CB 3.44Å; S179-E219 PolarHBondContact OG-O 3.47Å; N181-E219 HydrophobicContact CB-CB 3.83Å; N181-E219 WeakPolarHBondContact CB-OE2 3.43Å; N181-E219 PolarHBondContact ND2-OE2 3.39Å; N181-E219 PolarHBondContact O-N 3.42Å; E219-N221 WeakPolarHBondContact CG-ND2 3.32Å; E219-N221 PolarHBondContact OE1-ND2 3.16Å
220	N	97.6	Very high	96.5	Very high	0 Å²	0	28.7 Å²	28.7	0%	0	16%	0.161	C	C	.	.			trans	-139	99.8	175.9	-170.8	-18.1	0	0	0	109.7	L42 S44 Q152 V154 A178 Y218 S222 F224	L42-N220 PolarHBondContact O-ND2 3.31Å; S44-N220 PolarHBondContact O-ND2 3.22Å; Q152-N220 WeakPolarHBondContact CB-O 3.37Å; Q152-N220 WeakPolarHBondContact CG-O 3.18Å; Q152-N220 PolarHBondContact NE2-O 3.17Å; Q152-N220 PolarHBondContact O-N 3.04Å; V154-N220 HydrophobicContact CG1-CB 4.34Å; V154-N220 HydrophobicContact CG2-CB 3.67Å; A178-N220 HydrophobicContact CB-CB 3.9Å; A178-N220 VanDerWaalsContact CB-CG 3.46Å; A178-N220 WeakPolarHBondContact CB-OD1 3.34Å; Y218-N220 HydrophobicContact CD2-CB 4.23Å; Y218-N220 HydrophobicContact CE2-CB 3.62Å; Y218-N220 PolarHBondContact OH-ND2 3.33Å; Y218-N220 VanDerWaalsContact OH-ND2 3.15Å; N220-S222 VanDerWaalsContact OD1-CB 3.23Å; N220-S222 WeakPolarHBondContact OD1-CB 3.43Å; N220-S222 PolarHBondContact OD1-N 3.18Å; N220-S222 VanDerWaalsContact OD1-N 3.08Å; N220-S222 PolarHBondContact OD1-OG 3.14Å; N220-S222 VanDerWaalsContact OD1-OG 3.12Å; N220-F224 HydrophobicContact CB-CE2 4.46Å
221	N	95.2	Very high	96.8	Very high	33 Å²	33	30.2 Å²	30.2	18%	0.176	17%	0.17	C	C	.	.			trans	-100.4	15.8	177	-49.4	-72.9	0	0	0	112.8	K151 Q152 E219 I274	K151-N221 WeakPolarHBondContact CA-OD1 3.46Å; Q152-N221 PolarHBondContact N-OD1 2.97Å; E219-N221 WeakPolarHBondContact CG-ND2 3.32Å; E219-N221 PolarHBondContact OE1-ND2 3.16Å; N221-I274 HydrophobicContact CB-CG2 3.71Å
222	S	95.3	Very high	97.1	Very high	37 Å²	37	25.9 Å²	25.9	26%	0.259	15%	0.15	S	C	.	.	S	Bend	trans	-59.8	161.2	174.2	-60	0	0	0	0	110.6	S43 N220 F224	S43-S222 PolarHBondContact O-OG 2.98Å; N220-S222 VanDerWaalsContact OD1-CB 3.23Å; N220-S222 WeakPolarHBondContact OD1-CB 3.43Å; N220-S222 PolarHBondContact OD1-N 3.18Å; N220-S222 VanDerWaalsContact OD1-N 3.08Å; N220-S222 PolarHBondContact OD1-OG 3.14Å; N220-S222 VanDerWaalsContact OD1-OG 3.12Å; S222-F224 VanDerWaalsContact O-CD2 3.26Å; S222-F224 WeakPolarHBondContact O-CD2 3.41Å; S222-F224 PolarHBondContact O-N 3.26Å; S222-F224 VanDerWaalsContact O-N 3.11Å
223	P	94.1	Very high	97.3	Very high	78 Å²	78	24.5 Å²	24.5	51%	0.506	14%	0.143	S	C	.	.			trans	-60.7	109.6	174	-28.5	38.9	0	0	0	112.9	L225 I277	P223-L225 PolarHBondContact O-N 3.13Å; P223-I277 HydrophobicContact CB-CD1 4.14Å; P223-I277 HydrophobicContact CB-CG1 3.91Å
224	F	97.2	Very high	97.5	Very high	5 Å²	5	21.2 Å²	21.2	2%	0.022	12%	0.123	C	C	.	.			trans	-92.6	84	173.3	-83.1	-128.5	0	0	0	109.5	H45 L139 Q152 V154 N220 S222 H252 T253	H45-F224 HydrophobicContact CB-CB 4.24Å; H45-F224 HydrophobicContact CB-CD1 3.7Å; H45-F224 HydrophobicContact CB-CD2 3.75Å; H45-F224 HydrophobicContact CB-CE1 3.88Å; H45-F224 HydrophobicContact CB-CE2 3.94Å; H45-F224 HydrophobicContact CB-CG 3.63Å; H45-F224 HydrophobicContact CB-CZ 4Å; L139-F224 HydrophobicContact CB-CE1 3.96Å; L139-F224 HydrophobicContact CB-CZ 4.24Å; L139-F224 HydrophobicContact CD1-CE1 4.48Å; L139-F224 HydrophobicContact CD1-CZ 4.03Å; Q152-F224 VanDerWaalsContact NE2-CE2 3.29Å; V154-F224 HydrophobicContact CG1-CE1 4.07Å; V154-F224 HydrophobicContact CG1-CZ 3.86Å; N220-F224 HydrophobicContact CB-CE2 4.46Å; S222-F224 VanDerWaalsContact O-CD2 3.26Å; S222-F224 WeakPolarHBondContact O-CD2 3.41Å; S222-F224 PolarHBondContact O-N 3.26Å; S222-F224 VanDerWaalsContact O-N 3.11Å; F224-H252 CarbonylContact O-C 3.56Å; F224-H252 VanDerWaalsContact O-CA 3.28Å; F224-H252 WeakPolarHBondContact O-CA 3.47Å; F224-H252 PolarHBondContact O-ND1 3.3Å; F224-T253 PolarHBondContact O-N 2.97Å; F224-T253 PolarHBondContact O-OG1 3.12Å
225	L	97	Very high	97.6	Very high	3 Å²	3	23.8 Å²	23.8	2%	0.016	14%	0.135	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-106.9	138.3	179.8	-79.5	178.4	0	0	0	111.8	H45 P223 L250 I277 F280 L322 F360 V364	H45-L225 PolarHBondContact CE1-O 3.27Å; P223-L225 PolarHBondContact O-N 3.13Å; L225-L250 HydrophobicContact CB-CD1 4.16Å; L225-L250 HydrophobicContact CD1-CD1 4.49Å; L225-L250 HydrophobicContact CD1-CD2 4.12Å; L225-L250 HydrophobicContact CD2-CD1 4Å; L225-L250 HydrophobicContact CD2-CD2 3.65Å; L225-L250 HydrophobicContact CD2-CG 3.74Å; L225-L250 HydrophobicContact CG-CD1 4.44Å; L225-L250 HydrophobicContact CG-CD2 4.45Å; L225-I277 HydrophobicContact CD1-CD1 4.1Å; L225-I277 HydrophobicContact CD1-CG2 4.27Å; L225-I277 HydrophobicContact CD2-CD1 3.42Å; L225-I277 VanDerWaalsContact CD2-CD1 3.42Å; L225-I277 HydrophobicContact CG-CD1 3.43Å; L225-I277 VanDerWaalsContact CG-CD1 3.43Å; L225-F280 HydrophobicContact CD1-CD1 4.2Å; L225-L322 HydrophobicContact CD2-CD1 4.13Å; L225-F360 HydrophobicContact CB-CE1 4.21Å; L225-F360 HydrophobicContact CB-CE2 3.73Å; L225-F360 HydrophobicContact CB-CZ 3.52Å; L225-F360 HydrophobicContact CD1-CD1 4.47Å; L225-F360 HydrophobicContact CD1-CD2 4.4Å; L225-F360 HydrophobicContact CD1-CE1 4.37Å; L225-F360 HydrophobicContact CD1-CE2 4.3Å; L225-F360 HydrophobicContact CD1-CZ 4.31Å; L225-V364 VanDerWaalsContact O-CG1 3.28Å; L225-V364 WeakPolarHBondContact O-CG1 3.37Å
226	T	98.3	Very high	97.6	Very high	1 Å²	1	19.9 Å²	19.9	1%	0.006	12%	0.118	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-133.3	124	173	-59	0	0	0	0	109.8	H137 T228 K251 T253 V364 D366	H137-T226 VanDerWaalsContact CE1-CG2 3.48Å; H137-T226 WeakPolarHBondContact CE1-CG2 3.37Å; H137-T226 PolarHBondContact CE1-OG1 3.33Å; T226-T228 PolarHBondContact O-N 3.31Å; T226-K251 PolarHBondContact N-O 3.22Å; T226-K251 PolarHBondContact O-N 3.4Å; T226-T253 HydrophobicContact CG2-CG2 4.44Å; T226-T253 VanDerWaalsContact OG1-CG2 3.28Å; T226-T253 WeakPolarHBondContact OG1-CG2 3.33Å; T226-T253 PolarHBondContact OG1-OG1 3.19Å; T226-V364 HydrophobicContact CG2-CG1 4.04Å; T226-D366 WeakPolarHBondContact CG2-OD2 3.14Å
227	I	98.6	Very high	97.6	Very high	0 Å²	0	21.2 Å²	21.2	0%	0	13%	0.127	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-78.2	104.1	167.5	-58.4	174.8	0	0	0	106.9	M230 V248 D249 L250 V359 F360 V364 I365 D366	I227-M230 HydrophobicContact CG2-CB 3.8Å; I227-V248 HydrophobicContact CD1-CG1 4.16Å; I227-V248 HydrophobicContact CG1-CG1 4.05Å; I227-V248 HydrophobicContact CG2-CG1 3.88Å; I227-D249 CarbonylContact C-O 3.52Å; I227-D249 WeakPolarHBondContact CA-O 3.4Å; I227-L250 HydrophobicContact CG1-CD1 3.66Å; I227-V359 HydrophobicContact CD1-CB 3.92Å; I227-V359 HydrophobicContact CD1-CG1 3.95Å; I227-V359 HydrophobicContact CD1-CG2 3.91Å; I227-F360 HydrophobicContact CD1-CD1 4.42Å; I227-F360 HydrophobicContact CD1-CE1 3.72Å; I227-F360 HydrophobicContact CD1-CZ 4.5Å; I227-F360 HydrophobicContact CG1-CE1 3.72Å; I227-F360 HydrophobicContact CG1-CZ 4.3Å; I227-V364 WeakPolarHBondContact CB-O 3.45Å; I227-V364 PolarHBondContact N-O 3.25Å; I227-I365 HydrophobicContact CB-CB 4.37Å; I227-I365 HydrophobicContact CB-CG1 3.92Å; I227-I365 HydrophobicContact CB-CG2 4.48Å; I227-I365 HydrophobicContact CD1-CG1 3.82Å; I227-I365 HydrophobicContact CG1-CG1 4.37Å; I227-I365 HydrophobicContact CG2-CG1 4.22Å; I227-I365 HydrophobicContact CG2-CG2 4.22Å; I227-I365 WeakPolarHBondContact O-CA 3.48Å; I227-D366 PolarHBondContact O-N 2.92Å
228	T	98.3	Very high	97.4	Very high	53 Å²	53	21.7 Å²	21.7	33%	0.325	13%	0.129	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-69.4	-41.1	-177.8	-53.5	0	0	0	0	110.6	T226 D249 D366 S367	T226-T228 PolarHBondContact O-N 3.31Å; T228-D249 PolarHBondContact N-O 3.22Å; T228-D366 WeakPolarHBondContact O-CB 3.42Å; T228-S367 PolarHBondContact O-N 3.38Å
229	S	98.4	Very high	97.2	Very high	40 Å²	40	28.4 Å²	28.4	28%	0.28	16%	0.155	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-146.9	136.3	174.3	29	0	0	0	0	110	D249 S367	S229-D249 PolarHBondContact O-N 2.85Å; S229-D249 WeakPolarHBondContact OG-CB 3.41Å; S229-D249 PolarHBondContact OG-OD2 3.31Å; S229-S367 CarbonylContact C-O 3.51Å; S229-S367 WeakPolarHBondContact CA-O 3.31Å
230	M	98.6	Very high	96.8	Very high	1 Å²	1	29.8 Å²	29.8	1%	0.005	17%	0.172	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-128.2	132.4	169.8	-173.7	161.8	91.6	0	0	109.8	I227 E246 N247 V248 V356 V359 I365 S367 L368 T369	I227-M230 HydrophobicContact CG2-CB 3.8Å; M230-E246 WeakPolarHBondContact CE-OE1 3.23Å; M230-N247 VanDerWaalsContact CA-O 3.29Å; M230-N247 WeakPolarHBondContact CA-O 3.45Å; M230-V248 HydrophobicContact CG-CG2 4.19Å; M230-V248 HydrophobicContact SD-CG2 4.04Å; M230-V356 HydrophobicContact CE-CG2 3.7Å; M230-V359 HydrophobicContact CE-CG2 4.38Å; M230-V359 HydrophobicContact SD-CG2 3.84Å; M230-I365 HydrophobicContact CB-CG2 4.28Å; M230-I365 HydrophobicContact CE-CD1 3.87Å; M230-S367 PolarHBondContact N-O 3.32Å; M230-L368 HydrophobicContact CB-CD1 3.75Å; M230-L368 HydrophobicContact CE-CD1 3.37Å; M230-L368 HydrophobicContact CG-CD1 3.84Å; M230-L368 WeakPolarHBondContact O-CA 3.25Å; M230-L368 HydrophobicContact SD-CD1 4.41Å; M230-T369 PolarHBondContact O-N 2.82Å
231	T	98.6	Very high	96.6	Very high	44 Å²	44	32.7 Å²	32.7	27%	0.27	19%	0.187	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-116.6	113.9	170.7	-56.5	0	0	0	0	108.5	V233 E246 N247 T369	T231-V233 HydrophobicContact CG2-CG2 4.16Å; T231-E246 WeakPolarHBondContact O-CA 3.49Å; T231-N247 PolarHBondContact N-O 3.01Å; T231-N247 PolarHBondContact O-N 2.93Å; T231-T369 CarbonylContact C-O 3.54Å; T231-T369 WeakPolarHBondContact CA-O 3.35Å
232	R	98.6	Very high	96.7	Very high	2 Å²	2	31.1 Å²	31.1	1%	0.008	18%	0.179	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-102	115.6	176.3	-176.4	178.7	-169.2	110.4	-7.1	108.9	I234 V244 E246 Y334 D357 T369 V370 K371	R232-I234 HydrophobicContact CG-CD1 4.46Å; R232-I234 HydrophobicContact CG-CG1 4.17Å; R232-V244 HydrophobicContact CG-CG1 4.18Å; R232-E246 HydrophobicContact CB-CG 4.17Å; R232-E246 WeakPolarHBondContact CD-OE1 3.47Å; R232-E246 HydrophobicContact CG-CG 3.91Å; R232-E246 WeakPolarHBondContact CG-OE1 3.43Å; R232-E246 IonicContact CZ-OE1 3.5Å; R232-E246 IonicContact NE-OE1 3.39Å; R232-E246 IonicContact NH1-OE1 2.9Å; R232-E246 PolarHBondContact NH1-OE1 3.36Å; R232-E246 IonicContact NH1-OE2 3.71Å; R232-E246 PolarHBondContact NH1-OE2 3.4Å; R232-Y334 PolarHBondContact NH2-OH 3.01Å; R232-D357 IonicContact CZ-OD2 2.71Å; R232-D357 IonicContact NH1-OD2 2.66Å; R232-D357 IonicContact NH2-OD2 2.72Å; R232-D357 PolarHBondContact NH2-OD2 3.38Å; R232-D357 VanDerWaalsContact NH2-OD2 3.13Å; R232-T369 PolarHBondContact N-O 2.86Å; R232-V370 WeakPolarHBondContact O-CA 3.38Å; R232-K371 PolarHBondContact O-N 3.15Å
233	V	98.6	Very high	96.9	Very high	32 Å²	32	30.9 Å²	30.9	19%	0.194	18%	0.179	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-105.8	123.4	176.7	-176.3	0	0	0	0	108.3	T231 V244 E245 K371 I373	T231-V233 HydrophobicContact CG2-CG2 4.16Å; V233-V244 CarbonylContact O-C 3.54Å; V233-V244 WeakPolarHBondContact O-CA 3.4Å; V233-E245 PolarHBondContact N-O 3.4Å; V233-E245 PolarHBondContact O-N 3.04Å; V233-K371 CarbonylContact C-O 3.59Å; V233-K371 WeakPolarHBondContact CA-O 3.33Å; V233-K371 HydrophobicContact CG2-CB 4.43Å; V233-I373 HydrophobicContact CG1-CD1 3.64Å; V233-I373 HydrophobicContact CG1-CG1 4.23Å
234	I	98.4	Very high	97.1	Very high	1 Å²	1	27.2 Å²	27.2	1%	0.005	16%	0.155	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-117.5	108.3	178.9	-57	176.8	0	0	0	107.3	R232 V236 I242 A243 V244 M353 K371 I372 I373	R232-I234 HydrophobicContact CG-CD1 4.46Å; R232-I234 HydrophobicContact CG-CG1 4.17Å; I234-V236 HydrophobicContact CG2-CG2 4.43Å; I234-I242 HydrophobicContact CG2-CG2 3.63Å; I234-A243 CarbonylContact C-O 3.53Å; I234-A243 WeakPolarHBondContact CA-O 3.42Å; I234-V244 HydrophobicContact CG1-CG1 4.34Å; I234-V244 HydrophobicContact CG1-CG2 4.31Å; I234-V244 HydrophobicContact CG2-CG2 4.41Å; I234-M353 HydrophobicContact CD1-SD 4.32Å; I234-M353 HydrophobicContact CG2-CE 4.29Å; I234-M353 HydrophobicContact CG2-SD 3.6Å; I234-K371 PolarHBondContact N-O 3.49Å; I234-I372 HydrophobicContact CD1-CG1 4.47Å; I234-I372 CarbonylContact O-C 3.52Å; I234-I372 WeakPolarHBondContact O-CA 3.44Å; I234-I373 PolarHBondContact O-N 3.01Å
235	E	98.2	Very high	97.1	Very high	55 Å²	55	30 Å²	30	26%	0.257	17%	0.168	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-102	117	178.1	-171.2	-178.4	149.3	0	0	111	I242 A243 I373 R406	E235-I242 CarbonylContact O-C 3.57Å; E235-I242 WeakPolarHBondContact O-CA 3.35Å; E235-A243 HydrophobicContact CB-CB 4.45Å; E235-A243 PolarHBondContact N-O 2.94Å; E235-A243 PolarHBondContact O-N 3.36Å; E235-I373 HydrophobicContact CB-CB 4.37Å; E235-I373 HydrophobicContact CB-CD1 4.5Å; E235-I373 HydrophobicContact CG-CB 4.21Å; E235-I373 HydrophobicContact CG-CG2 4.26Å; E235-R406 IonicContact OE1-CZ 3.01Å; E235-R406 IonicContact OE1-NH1 3.45Å; E235-R406 PolarHBondContact OE1-NH1 2.7Å; E235-R406 IonicContact OE1-NH2 2.74Å
236	V	97.7	Very high	97.2	Very high	0 Å²	0	30.2 Å²	30.2	0%	0	17%	0.169	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-97.4	116.7	-176.3	-179.2	0	0	0	0	110.4	I234 I242 L342 L351 I373 L374 R406	I234-V236 HydrophobicContact CG2-CG2 4.43Å; V236-I242 HydrophobicContact CG1-CG1 4.39Å; V236-I242 HydrophobicContact CG2-CG2 4.3Å; V236-L342 HydrophobicContact CG1-CD1 3.55Å; V236-L351 HydrophobicContact CG2-CD1 4.27Å; V236-L351 HydrophobicContact CG2-CD2 3.73Å; V236-I373 PolarHBondContact N-O 2.98Å; V236-L374 HydrophobicContact CG2-CD2 4.3Å; V236-R406 PolarHBondContact O-NH2 3.33Å
237	S	95.9	Very high	97.2	Very high	27 Å²	27	32 Å²	32	19%	0.189	18%	0.179	C	C	.	.			trans	-109.9	122.9	173.3	-177	0	0	0	0	111.6	W239 G240 N241	S237-W239 PolarHBondContact O-N 3.25Å; S237-W239 PolarHBondContact OG-N 3.43Å; S237-G240 PolarHBondContact O-N 2.93Å; S237-N241 WeakPolarHBondContact CB-O 3.39Å; S237-N241 PolarHBondContact N-O 3.22Å; S237-N241 VanDerWaalsContact O-O 3.14Å
238	H	94.5	Very high	97.2	Very high	33 Å²	33	32.1 Å²	32.1	15%	0.153	18%	0.179	C	C	.	.	T	Hydrogen-bonded Turn	trans	-70.7	-8.7	174	-78	-147.1	0	0	0	112.6	Y349 Y428 F430 M435	H238-Y349 AromaticContact CE1-CD1 3.42Å; H238-Y349 VanDerWaalsContact CE1-CD1 3.42Å; H238-Y349 WeakPolarHBondContact CE1-CD1 3.38Å; H238-Y349 AromaticContact CE1-CD2 3.98Å; H238-Y349 AromaticContact CE1-CE1 3.22Å; H238-Y349 WeakPolarHBondContact CE1-CE1 3.36Å; H238-Y349 AromaticContact CE1-CE2 3.86Å; H238-Y349 AromaticContact CE1-CG 3.76Å; H238-Y349 AromaticContact CE1-CZ 3.44Å; H238-Y349 VanDerWaalsContact CE1-CZ 3.44Å; H238-Y349 AromaticContact ND1-CE1 3.57Å; H238-Y349 AromaticContact ND1-CZ 3.63Å; H238-Y349 AromaticContact NE2-CD1 3.98Å; H238-Y428 AromaticContact CE1-CE2 3.95Å; H238-Y428 AromaticContact NE2-CE2 3.64Å; H238-Y428 AromaticContact NE2-CZ 3.68Å; H238-Y428 PolarHBondContact NE2-OH 3.44Å; H238-F430 AromaticContact CE1-CD1 3.47Å; H238-F430 VanDerWaalsContact CE1-CD1 3.47Å; H238-F430 WeakPolarHBondContact CE1-CD1 3.49Å; H238-F430 AromaticContact CE1-CG 3.82Å; H238-F430 AromaticContact ND1-CD1 3.29Å; H238-F430 VanDerWaalsContact ND1-CD1 3.29Å; H238-F430 WeakPolarHBondContact ND1-CD1 3.36Å; H238-F430 AromaticContact ND1-CE1 3.44Å; H238-F430 WeakPolarHBondContact ND1-CE1 3.37Å; H238-M435 HydrophobicContact CB-CE 3.61Å; H238-M435 HydrophobicContact CB-SD 3.68Å
239	W	93.7	Very high	97.2	Very high	142 Å²	142	32.3 Å²	32.3	54%	0.538	18%	0.178	S	C	.	.	T	Hydrogen-bonded Turn	trans	-74.1	-21.7	174.4	-72	103.5	0	0	0	114	S237 M435 E438 P439	S237-W239 PolarHBondContact O-N 3.25Å; S237-W239 PolarHBondContact OG-N 3.43Å; W239-M435 HydrophobicContact CD2-CE 3.74Å; W239-M435 HydrophobicContact CE3-CE 4.28Å; W239-M435 HydrophobicContact CG-CE 3.88Å; W239-M435 HydrophobicContact CZ2-CB 4.44Å; W239-M435 HydrophobicContact CZ2-CE 4.36Å; W239-E438 PolarHBondContact NE1-OE2 3.37Å; W239-P439 HydrophobicContact CH2-CG 3.98Å; W239-P439 HydrophobicContact CZ2-CG 4.02Å
240	G	89.7	Confident	97.1	Very high	39 Å²	39	30.5 Å²	30.5	40%	0.402	17%	0.166	S	C	.	.	S	Bend	trans	166.4	-25.5	171.5	0	0	0	0	0	118.4	S237 S338	S237-G240 PolarHBondContact O-N 2.93Å; G240-S338 WeakPolarHBondContact O-CB 3.48Å; G240-S338 PolarHBondContact O-N 2.86Å; G240-S338 VanDerWaalsContact O-N 3.14Å; G240-S338 PolarHBondContact O-OG 3.2Å; G240-S338 VanDerWaalsContact O-OG 3.08Å
241	N	94.3	Very high	97.1	Very high	61 Å²	61	33.9 Å²	33.9	33%	0.326	18%	0.18	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-132.6	164.8	-173.4	67.1	-20.6	0	0	0	113.3	S237 N335 L336	S237-N241 WeakPolarHBondContact CB-O 3.39Å; S237-N241 PolarHBondContact N-O 3.22Å; S237-N241 VanDerWaalsContact O-O 3.14Å; N241-N335 PolarHBondContact ND2-OD1 3.02Å; N241-L336 CarbonylContact C-O 3.57Å; N241-L336 VanDerWaalsContact CA-O 3.31Å; N241-L336 WeakPolarHBondContact CA-O 3.24Å; N241-L336 WeakPolarHBondContact CB-O 3.14Å
242	I	97.7	Very high	97.1	Very high	0 Å²	0	31.8 Å²	31.8	0%	0	17%	0.168	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-118.7	119.6	168	-58.1	167	0	0	0	106.3	I234 E235 V236 L336 L342 L351 M353	I234-I242 HydrophobicContact CG2-CG2 3.63Å; E235-I242 CarbonylContact O-C 3.57Å; E235-I242 WeakPolarHBondContact O-CA 3.35Å; V236-I242 HydrophobicContact CG1-CG1 4.39Å; V236-I242 HydrophobicContact CG2-CG2 4.3Å; I242-L336 PolarHBondContact N-O 3.39Å; I242-L336 PolarHBondContact O-N 3.17Å; I242-L342 HydrophobicContact CD1-CB 4.45Å; I242-L351 HydrophobicContact CD1-CD1 3.62Å; I242-M353 HydrophobicContact CD1-SD 4.4Å; I242-M353 HydrophobicContact CG2-CE 4.26Å; I242-M353 HydrophobicContact CG2-SD 3.89Å
243	A	98	Very high	97	Very high	31 Å²	31	33.6 Å²	33.6	26%	0.256	18%	0.179	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-94.9	127.9	178.3	0	0	0	0	0	109.4	I234 E235 N335	I234-A243 CarbonylContact C-O 3.53Å; I234-A243 WeakPolarHBondContact CA-O 3.42Å; E235-A243 HydrophobicContact CB-CB 4.45Å; E235-A243 PolarHBondContact N-O 2.94Å; E235-A243 PolarHBondContact O-N 3.36Å; A243-N335 WeakPolarHBondContact CB-OD1 3.25Å
244	V	98.4	Very high	96.9	Very high	1 Å²	1	32.2 Å²	32.2	1%	0.006	17%	0.171	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-115.5	128.4	175.9	-175.9	0	0	0	0	108.4	R232 V233 I234 E246 G333 Y334 L336 M353	R232-V244 HydrophobicContact CG-CG1 4.18Å; V233-V244 CarbonylContact O-C 3.54Å; V233-V244 WeakPolarHBondContact O-CA 3.4Å; I234-V244 HydrophobicContact CG1-CG1 4.34Å; I234-V244 HydrophobicContact CG1-CG2 4.31Å; I234-V244 HydrophobicContact CG2-CG2 4.41Å; V244-E246 HydrophobicContact CG1-CG 4.38Å; V244-G333 CarbonylContact O-C 3.54Å; V244-G333 WeakPolarHBondContact O-CA 3.31Å; V244-Y334 HydrophobicContact CB-CD2 4.3Å; V244-Y334 HydrophobicContact CB-CE1 4.18Å; V244-Y334 HydrophobicContact CB-CE2 3.79Å; V244-Y334 HydrophobicContact CG1-CE1 4.15Å; V244-Y334 HydrophobicContact CG1-CE2 4.37Å; V244-Y334 HydrophobicContact CG2-CE2 4Å; V244-Y334 PolarHBondContact N-O 3.17Å; V244-Y334 PolarHBondContact O-N 2.93Å; V244-L336 HydrophobicContact CG2-CD1 4.3Å; V244-M353 HydrophobicContact CG2-CE 3.77Å
245	E	98.5	Very high	96.9	Very high	64 Å²	64	32.3 Å²	32.3	30%	0.299	17%	0.172	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-128.9	132.6	173.3	-176.5	175	92.3	0	0	110.1	V233 Y292 I331	V233-E245 PolarHBondContact N-O 3.4Å; V233-E245 PolarHBondContact O-N 3.04Å; E245-Y292 PolarHBondContact OE2-OH 3.21Å; E245-I331 HydrophobicContact CG-CG2 3.53Å
246	E	98.3	Very high	96.8	Very high	7 Å²	7	32.8 Å²	32.8	3%	0.033	18%	0.178	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-122.2	118.2	-179.9	-60.8	-162.6	113.7	0	0	111.2	M230 T231 R232 V244 V248 I331 V332	M230-E246 WeakPolarHBondContact CE-OE1 3.23Å; T231-E246 WeakPolarHBondContact O-CA 3.49Å; R232-E246 HydrophobicContact CB-CG 4.17Å; R232-E246 WeakPolarHBondContact CD-OE1 3.47Å; R232-E246 HydrophobicContact CG-CG 3.91Å; R232-E246 WeakPolarHBondContact CG-OE1 3.43Å; R232-E246 IonicContact CZ-OE1 3.5Å; R232-E246 IonicContact NE-OE1 3.39Å; R232-E246 IonicContact NH1-OE1 2.9Å; R232-E246 PolarHBondContact NH1-OE1 3.36Å; R232-E246 IonicContact NH1-OE2 3.71Å; R232-E246 PolarHBondContact NH1-OE2 3.4Å; V244-E246 HydrophobicContact CG1-CG 4.38Å; E246-V248 HydrophobicContact CB-CG2 4.32Å; E246-I331 WeakPolarHBondContact O-CA 3.28Å; E246-V332 PolarHBondContact N-O 3.25Å; E246-V332 PolarHBondContact O-N 2.74Å
247	N	98.4	Very high	96.8	Very high	39 Å²	39	34.1 Å²	34.1	21%	0.209	19%	0.185	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-94.4	117	171.9	-59.9	-44.9	0	0	0	108.6	M230 T231 I331	M230-N247 VanDerWaalsContact CA-O 3.29Å; M230-N247 WeakPolarHBondContact CA-O 3.45Å; T231-N247 PolarHBondContact N-O 3.01Å; T231-N247 PolarHBondContact O-N 2.93Å; N247-I331 WeakPolarHBondContact OD1-CD1 3.35Å; N247-I331 WeakPolarHBondContact OD1-CG1 3.29Å; N247-I331 VanDerWaalsContact OD1-CG2 3.32Å; N247-I331 WeakPolarHBondContact OD1-CG2 3.36Å
248	V	98.6	Very high	96.8	Very high	2 Å²	2	38.4 Å²	38.4	1%	0.012	20%	0.201	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-119.6	114.2	-170.7	-174.6	0	0	0	0	110.7	I227 M230 E246 L250 H329 Y330	I227-V248 HydrophobicContact CD1-CG1 4.16Å; I227-V248 HydrophobicContact CG1-CG1 4.05Å; I227-V248 HydrophobicContact CG2-CG1 3.88Å; M230-V248 HydrophobicContact CG-CG2 4.19Å; M230-V248 HydrophobicContact SD-CG2 4.04Å; E246-V248 HydrophobicContact CB-CG2 4.32Å; V248-L250 HydrophobicContact CG1-CB 4.45Å; V248-H329 WeakPolarHBondContact O-CA 3.4Å; V248-Y330 HydrophobicContact CB-CD1 4.36Å; V248-Y330 HydrophobicContact CB-CD2 4.36Å; V248-Y330 HydrophobicContact CB-CE1 3.88Å; V248-Y330 HydrophobicContact CB-CE2 3.9Å; V248-Y330 HydrophobicContact CG1-CE1 3.85Å; V248-Y330 HydrophobicContact CG1-CE2 4.48Å; V248-Y330 HydrophobicContact CG2-CE2 3.96Å; V248-Y330 PolarHBondContact N-O 3.23Å; V248-Y330 PolarHBondContact O-N 3.09Å; V248-Y330 VanDerWaalsContact O-N 3.13Å
249	D	98.4	Very high	96.8	Very high	57 Å²	57	39.4 Å²	39.4	31%	0.305	22%	0.22	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-92.1	106.4	167.2	-69.3	-59.1	0	0	0	110.1	I227 T228 S229 H329	I227-D249 CarbonylContact C-O 3.52Å; I227-D249 WeakPolarHBondContact CA-O 3.4Å; T228-D249 PolarHBondContact N-O 3.22Å; S229-D249 PolarHBondContact O-N 2.85Å; S229-D249 WeakPolarHBondContact OG-CB 3.41Å; S229-D249 PolarHBondContact OG-OD2 3.31Å; D249-H329 IonicContact OD1-CE1 3.64Å; D249-H329 IonicContact OD1-CG 3.62Å; D249-H329 IonicContact OD1-ND1 2.73Å; D249-H329 PolarHBondContact OD1-ND1 3.47Å
250	L	97.2	Very high	96.9	Very high	2 Å²	2	38.1 Å²	38.1	1%	0.01	23%	0.23	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-109.8	133.3	-175.5	-171.4	74.8	0	0	0	110.9	L225 I227 V248 F280 L322 K327 T328 Y330 F360	L225-L250 HydrophobicContact CB-CD1 4.16Å; L225-L250 HydrophobicContact CD1-CD1 4.49Å; L225-L250 HydrophobicContact CD1-CD2 4.12Å; L225-L250 HydrophobicContact CD2-CD1 4Å; L225-L250 HydrophobicContact CD2-CD2 3.65Å; L225-L250 HydrophobicContact CD2-CG 3.74Å; L225-L250 HydrophobicContact CG-CD1 4.44Å; L225-L250 HydrophobicContact CG-CD2 4.45Å; I227-L250 HydrophobicContact CG1-CD1 3.66Å; V248-L250 HydrophobicContact CG1-CB 4.45Å; L250-F280 HydrophobicContact CD2-CD1 4.38Å; L250-F280 HydrophobicContact CD2-CE1 3.67Å; L250-F280 HydrophobicContact CD2-CZ 3.99Å; L250-L322 HydrophobicContact CD2-CD1 4.07Å; L250-K327 CarbonylContact O-C 3.59Å; L250-K327 VanDerWaalsContact O-CA 3.27Å; L250-K327 WeakPolarHBondContact O-CA 3.33Å; L250-T328 HydrophobicContact CB-CG2 3.85Å; L250-T328 HydrophobicContact CD2-CG2 4.03Å; L250-T328 HydrophobicContact CG-CG2 4.43Å; L250-T328 PolarHBondContact N-O 2.97Å; L250-T328 PolarHBondContact O-N 3.14Å; L250-T328 VanDerWaalsContact O-O 3.12Å; L250-Y330 HydrophobicContact CB-CE1 4.39Å; L250-Y330 HydrophobicContact CD2-CE1 4.44Å; L250-F360 HydrophobicContact CD1-CE1 3.69Å; L250-F360 HydrophobicContact CD1-CZ 4.23Å
251	K	98	Very high	97.1	Very high	72 Å²	72	39.8 Å²	39.8	31%	0.313	23%	0.226	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-126.4	138.2	176.7	-179.6	-175.1	175.3	-164.2	0	110.4	T226 T253 W326 K327	T226-K251 PolarHBondContact N-O 3.22Å; T226-K251 PolarHBondContact O-N 3.4Å; K251-T253 HydrophobicContact CD-CG2 4.09Å; K251-T253 HydrophobicContact CG-CG2 4.21Å; K251-T253 PolarHBondContact O-N 3.46Å; K251-W326 WeakPolarHBondContact CA-O 3.31Å; K251-K327 HydrophobicContact CB-CG 4.08Å; K251-K327 HydrophobicContact CD-CG 4.43Å; K251-K327 HydrophobicContact CG-CG 3.93Å
252	H	97.9	Very high	97.2	Very high	1 Å²	1	38.4 Å²	38.4	1%	0.005	22%	0.221	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-82.1	113.3	166.9	-175.9	2.1	0	0	0	110.1	F224 G254 S275 I277 L322 G324 G325 W326	F224-H252 CarbonylContact O-C 3.56Å; F224-H252 VanDerWaalsContact O-CA 3.28Å; F224-H252 WeakPolarHBondContact O-CA 3.47Å; F224-H252 PolarHBondContact O-ND1 3.3Å; H252-G254 PolarHBondContact ND1-N 3.39Å; H252-S275 PolarHBondContact NE2-O 3.32Å; H252-I277 HydrophobicContact CB-CD1 4.44Å; H252-L322 HydrophobicContact CB-CB 4.13Å; H252-L322 PolarHBondContact CD2-O 3.19Å; H252-G324 PolarHBondContact CD2-N 3.01Å; H252-G325 PolarHBondContact O-N 3.31Å; H252-W326 PolarHBondContact N-O 3.01Å
253	T	97	Very high	97.1	Very high	39 Å²	39	43.8 Å²	43.8	24%	0.239	24%	0.242	C	C	.	.			trans	-98.7	7.3	-172.2	45	0	0	0	0	114.5	F224 T226 K251	F224-T253 PolarHBondContact O-N 2.97Å; F224-T253 PolarHBondContact O-OG1 3.12Å; T226-T253 HydrophobicContact CG2-CG2 4.44Å; T226-T253 VanDerWaalsContact OG1-CG2 3.28Å; T226-T253 WeakPolarHBondContact OG1-CG2 3.33Å; T226-T253 PolarHBondContact OG1-OG1 3.19Å; K251-T253 HydrophobicContact CD-CG2 4.09Å; K251-T253 HydrophobicContact CG-CG2 4.21Å; K251-T253 PolarHBondContact O-N 3.46Å
254	G	96.4	Very high	96.9	Very high	4 Å²	4	48.9 Å²	48.9	4%	0.041	26%	0.255	C	S	.	.	S	Bend	trans	-70.8	-169.2	171.1	0	0	0	0	0	113.5	H252 V256	H252-G254 PolarHBondContact ND1-N 3.39Å; G254-V256 PolarHBondContact O-N 2.88Å
255	A	97.4	Very high	96.8	Very high	2 Å²	2	51.4 Å²	51.4	2%	0.017	27%	0.269	C	S	.	.	S	Bend	trans	-58.8	127.5	178.7	0	0	0	0	0	111.2	P141 I146 Q152 G324	P141-A255 HydrophobicContact CB-CB 3.83Å; I146-A255 HydrophobicContact CB-CB 4.26Å; I146-A255 HydrophobicContact CD1-CB 3.83Å; I146-A255 HydrophobicContact CG1-CB 3.67Å; I146-A255 HydrophobicContact CG2-CB 3.8Å; Q152-A255 HydrophobicContact CG-CB 4.27Å; A255-G324 WeakPolarHBondContact O-CA 3.46Å
256	V	97.8	Very high	96.6	Very high	65 Å²	65	48.9 Å²	48.9	39%	0.394	26%	0.257	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-68.5	140.3	-173.4	177.7	0	0	0	0	110.9	T144 Q145 I146 G254 K258 G324	T144-V256 PolarHBondContact O-N 2.87Å; Q145-V256 CarbonylContact C-O 3.58Å; Q145-V256 WeakPolarHBondContact CA-O 3.44Å; Q145-V256 HydrophobicContact CG-CB 4.4Å; I146-V256 PolarHBondContact N-O 3.23Å; G254-V256 PolarHBondContact O-N 2.88Å; V256-K258 PolarHBondContact O-N 3.24Å; V256-G324 WeakPolarHBondContact CA-O 3.47Å
257	L	97	Very high	96.4	Very high	28 Å²	28	54.6 Å²	54.6	15%	0.147	28%	0.283	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-62	122.4	177.1	-178.8	64.9	0	0	0	111.2	I146 Q148 F261 F323 G324 W326	I146-L257 CarbonylContact O-C 3.57Å; I146-L257 WeakPolarHBondContact O-CA 3.47Å; Q148-L257 HydrophobicContact CB-CD1 4.12Å; L257-F261 HydrophobicContact CD2-CB 4.1Å; L257-F323 HydrophobicContact CB-CB 4.04Å; L257-F323 HydrophobicContact CD1-CD1 3.9Å; L257-F323 HydrophobicContact CD1-CE1 4.34Å; L257-F323 HydrophobicContact CD2-CB 4.16Å; L257-F323 HydrophobicContact CD2-CD1 4.32Å; L257-F323 HydrophobicContact CD2-CG 4.17Å; L257-F323 HydrophobicContact CG-CD1 4.48Å; L257-G324 PolarHBondContact N-O 3.14Å; L257-G324 VanDerWaalsContact N-O 3.14Å; L257-W326 HydrophobicContact CD2-CZ2 4.23Å
258	K	95.6	Very high	96.1	Very high	117 Å²	117	60.9 Å²	60.9	51%	0.509	30%	0.304	S	S	.	.	P	Polyproline II helix	trans	-100.2	131.3	171.6	-174.8	-179.1	172.9	-172.1	0	110.1	Q145 I146 V256	Q145-K258 HydrophobicContact CB-CB 4.07Å; I146-K258 PolarHBondContact O-N 2.94Å; V256-K258 PolarHBondContact O-N 3.24Å
259	G	94.8	Very high	95.8	Very high	54 Å²	54	65.6 Å²	65.6	56%	0.557	33%	0.326	S	S	*	.	S	Bend	trans	84.4	-169.3	177.9	0	0	0	0	0	113.3
260	P	94.7	Very high	95.3	Very high	116 Å²	116	68 Å²	68	75%	0.753	35%	0.345	S	S	*	.			trans	-76.6	147.8	-174.8	31.4	-34.5	0	0	0	111.9
261	F	95.9	Very high	95	Very high	73 Å²	73	74 Å²	74	32%	0.32	38%	0.377	S	S	.	.			trans	-85.8	124.9	163.6	170.9	-109.6	0	0	0	109.9	L257 R263 Y266 F323 W326	L257-F261 HydrophobicContact CD2-CB 4.1Å; F261-R263 HydrophobicContact CE1-CB 4.1Å; F261-R263 HydrophobicContact CZ-CB 4.27Å; F261-Y266 HydrophobicContact CE2-CD2 4.28Å; F261-Y266 HydrophobicContact CE2-CG 4.17Å; F261-F323 HydrophobicContact CD2-CD2 4.3Å; F261-F323 AromaticContact CD2-CE2 3.77Å; F261-F323 HydrophobicContact CD2-CE2 3.77Å; F261-F323 HydrophobicContact CD2-CZ 4.23Å; F261-F323 HydrophobicContact CE2-CD2 4.42Å; F261-F323 AromaticContact CE2-CE2 3.61Å; F261-F323 HydrophobicContact CE2-CE2 3.61Å; F261-F323 HydrophobicContact CE2-CZ 4.18Å; F261-W326 HydrophobicContact CB-CZ2 4.4Å; F261-W326 HydrophobicContact CD1-CH2 4.33Å; F261-W326 HydrophobicContact CG-CH2 4.26Å
262	S	95.3	Very high	94.6	Very high	32 Å²	32	70.7 Å²	70.7	22%	0.224	36%	0.363	C	S	.	.			trans	-113.2	107.9	175.6	173.6	0	0	0	0	109.8	Q148 Y264 D265 Y266	Q148-S262 PolarHBondContact NE2-O 3.44Å; S262-Y264 PolarHBondContact O-N 3.44Å; S262-D265 WeakPolarHBondContact CB-OD2 3.48Å; S262-D265 PolarHBondContact O-N 3.46Å; S262-D265 VanDerWaalsContact OG-CG 3.3Å; S262-D265 PolarHBondContact OG-N 3.14Å; S262-D265 PolarHBondContact OG-OD2 2.89Å; S262-Y266 WeakPolarHBondContact O-CB 3.36Å; S262-Y266 PolarHBondContact O-N 3.46Å
263	R	95.1	Very high	94.3	Very high	113 Å²	113	70.8 Å²	70.8	43%	0.426	36%	0.364	S	S	.	.	H	α-helix	trans	-61.3	-33.7	174.6	-176	59.7	174.9	-160.8	-3.5	111.9	F261 Y266 Q267	F261-R263 HydrophobicContact CE1-CB 4.1Å; F261-R263 HydrophobicContact CZ-CB 4.27Å; R263-Y266 PolarHBondContact O-N 2.87Å; R263-Q267 HydrophobicContact CG-CG 4.46Å; R263-Q267 WeakPolarHBondContact O-CB 3.5Å; R263-Q267 WeakPolarHBondContact O-CG 3.36Å; R263-Q267 PolarHBondContact O-N 3.38Å; R263-Q267 VanDerWaalsContact O-N 3.07Å
264	Y	95.3	Very high	94.2	Very high	138 Å²	138	72.1 Å²	72.1	54%	0.541	37%	0.369	S	S	.	.	H	α-helix	trans	-61.1	-49.6	177.2	176.3	-92.8	0	0	0	111.2	S262 Q267 R268	S262-Y264 PolarHBondContact O-N 3.44Å; Y264-Q267 PolarHBondContact O-N 3.24Å; Y264-R268 HydrophobicContact CE2-CG 4.33Å; Y264-R268 WeakPolarHBondContact O-CB 3.39Å; Y264-R268 WeakPolarHBondContact O-CG 3.48Å; Y264-R268 PolarHBondContact O-N 3.41Å; Y264-R268 WeakPolarHBondContact OH-CD 3.39Å; Y264-R268 PolarHBondContact OH-NH1 3Å
265	D	94.4	Very high	94.1	Very high	55 Å²	55	72.1 Å²	72.1	29%	0.294	37%	0.369	S	S	.	.	H	α-helix	trans	-67.4	-40.1	179.1	-62	-45.3	0	0	0	111.1	S262 Q267 R268 Q269	S262-D265 WeakPolarHBondContact CB-OD2 3.48Å; S262-D265 PolarHBondContact O-N 3.46Å; S262-D265 VanDerWaalsContact OG-CG 3.3Å; S262-D265 PolarHBondContact OG-N 3.14Å; S262-D265 PolarHBondContact OG-OD2 2.89Å; D265-Q267 PolarHBondContact O-N 2.8Å; D265-R268 PolarHBondContact O-N 3.49Å; D265-Q269 WeakPolarHBondContact O-CB 3.27Å; D265-Q269 PolarHBondContact O-N 3.06Å
266	Y	94.7	Very high	94	Very high	11 Å²	11	72.7 Å²	72.7	4%	0.043	37%	0.372	C	S	.	.	H	α-helix	trans	-59.4	-32.9	176.9	-167.7	-102.9	0	0	0	113.6	F261 S262 R263 S276 R278 P321 F323	F261-Y266 HydrophobicContact CE2-CD2 4.28Å; F261-Y266 HydrophobicContact CE2-CG 4.17Å; S262-Y266 WeakPolarHBondContact O-CB 3.36Å; S262-Y266 PolarHBondContact O-N 3.46Å; R263-Y266 PolarHBondContact O-N 2.87Å; Y266-S276 VanDerWaalsContact CE2-OG 3.31Å; Y266-S276 WeakPolarHBondContact CE2-OG 3.33Å; Y266-S276 PolarHBondContact OH-OG 3.14Å; Y266-R278 WeakPolarHBondContact OH-CG 3.47Å; Y266-R278 PolarHBondContact OH-NE 3.02Å; Y266-P321 HydrophobicContact CE1-CB 4.45Å; Y266-P321 HydrophobicContact CE1-CG 3.88Å; Y266-F323 HydrophobicContact CD2-CE2 4.1Å; Y266-F323 AromaticContact CD2-CZ 3.78Å; Y266-F323 HydrophobicContact CD2-CZ 3.78Å; Y266-F323 AromaticContact CE2-CE2 3.89Å; Y266-F323 HydrophobicContact CE2-CE2 3.89Å; Y266-F323 AromaticContact CE2-CZ 3.71Å; Y266-F323 HydrophobicContact CE2-CZ 3.71Å
267	Q	93.8	Very high	93.9	Very high	127 Å²	127	70 Å²	70	59%	0.593	36%	0.355	S	S	*	.	H	α-helix	trans	-90.4	-34.2	-179.1	-71.9	-178.7	-51.7	0	0	113	R263 Y264 D265	R263-Q267 HydrophobicContact CG-CG 4.46Å; R263-Q267 WeakPolarHBondContact O-CB 3.5Å; R263-Q267 WeakPolarHBondContact O-CG 3.36Å; R263-Q267 PolarHBondContact O-N 3.38Å; R263-Q267 VanDerWaalsContact O-N 3.07Å; Y264-Q267 PolarHBondContact O-N 3.24Å; D265-Q267 PolarHBondContact O-N 2.8Å
268	R	93	Very high	93.8	Very high	170 Å²	170	74.4 Å²	74.4	64%	0.642	37%	0.37	S	S	*	.	H	α-helix	trans	-90	-22.7	-176.3	-70	-168	71.8	144.1	6	114.2	Y264 D265	Y264-R268 HydrophobicContact CE2-CG 4.33Å; Y264-R268 WeakPolarHBondContact O-CB 3.39Å; Y264-R268 WeakPolarHBondContact O-CG 3.48Å; Y264-R268 PolarHBondContact O-N 3.41Å; Y264-R268 WeakPolarHBondContact OH-CD 3.39Å; Y264-R268 PolarHBondContact OH-NH1 3Å; D265-R268 PolarHBondContact O-N 3.49Å
269	Q	91.7	Very high	93.9	Very high	102 Å²	102	70.9 Å²	70.9	48%	0.477	36%	0.36	S	S	.	.			trans	-117.5	103	179.1	-62	-179.3	-1.3	0	0	108.9	D265 D271 S272	D265-Q269 WeakPolarHBondContact O-CB 3.27Å; D265-Q269 PolarHBondContact O-N 3.06Å; Q269-D271 PolarHBondContact O-N 3.37Å; Q269-S272 VanDerWaalsContact O-CB 3.28Å; Q269-S272 WeakPolarHBondContact O-CB 3.03Å; Q269-S272 PolarHBondContact O-N 3.04Å
270	P	89.4	Confident	94	Very high	107 Å²	107	69 Å²	69	70%	0.695	34%	0.337	S	S	*	.	T	Hydrogen-bonded Turn	trans	-57.5	-29.8	178.9	-26.8	35.9	0	0	0	113.8	S272	P270-S272 PolarHBondContact O-N 3.31Å
271	D	89.6	Confident	94.1	Very high	128 Å²	128	68 Å²	68	68%	0.684	32%	0.32	S	S	*	.	T	Hydrogen-bonded Turn	trans	-75.4	-5.4	177.4	-60.7	-26.9	0	0	0	113.3	Q269 I274	Q269-D271 PolarHBondContact O-N 3.37Å; D271-I274 VanDerWaalsContact O-CG1 3.24Å; D271-I274 WeakPolarHBondContact O-CG1 3.12Å
272	S	90.2	Very high	94.2	Very high	2 Å²	2	64.8 Å²	64.8	1%	0.014	31%	0.307	C	S	.	.	T	Hydrogen-bonded Turn	trans	-85.9	124.7	174.8	-168.5	0	0	0	0	110.3	Q148 Q269 P270	Q148-S272 WeakPolarHBondContact CG-OG 3.42Å; Q148-S272 PolarHBondContact NE2-OG 3.04Å; Q269-S272 VanDerWaalsContact O-CB 3.28Å; Q269-S272 WeakPolarHBondContact O-CB 3.03Å; Q269-S272 PolarHBondContact O-N 3.04Å; P270-S272 PolarHBondContact O-N 3.31Å
273	G	91.4	Very high	94.3	Very high	3 Å²	3	65.3 Å²	65.3	3%	0.031	31%	0.307	C	S	.	.	T	Hydrogen-bonded Turn	trans	79.9	38.2	179.5	0	0	0	0	0	114.6	Q148 S275 S276	Q148-G273 WeakPolarHBondContact O-CA 3.46Å; Q148-G273 PolarHBondContact O-N 3.05Å; G273-S275 VanDerWaalsContact C-N 3.29Å; G273-S275 PolarHBondContact O-N 3.43Å; G273-S276 VanDerWaalsContact O-CB 3.28Å; G273-S276 WeakPolarHBondContact O-CB 3.39Å; G273-S276 PolarHBondContact O-N 3.41Å; G273-S276 PolarHBondContact O-OG 3.26Å
274	I	94.1	Very high	94.4	Very high	67 Å²	67	60 Å²	60	34%	0.344	29%	0.287	S	S	.	.	T	Hydrogen-bonded Turn	trans	-57.7	-41.9	177.5	-55.5	176.9	0	0	0	111.4	K151 N221 D271 S276	K151-I274 HydrophobicContact CG-CD1 4.14Å; N221-I274 HydrophobicContact CB-CG2 3.71Å; D271-I274 VanDerWaalsContact O-CG1 3.24Å; D271-I274 WeakPolarHBondContact O-CG1 3.12Å; I274-S276 PolarHBondContact O-N 3.02Å
275	S	94.5	Very high	94.4	Very high	5 Å²	5	54.1 Å²	54.1	4%	0.035	27%	0.266	C	S	.	.	T	Hydrogen-bonded Turn	trans	-75.5	-9.2	176.7	53.8	0	0	0	0	113.8	I146 H252 G273	I146-S275 WeakPolarHBondContact CD1-OG 3.3Å; H252-S275 PolarHBondContact NE2-O 3.32Å; G273-S275 VanDerWaalsContact C-N 3.29Å; G273-S275 PolarHBondContact O-N 3.43Å
276	S	95.8	Very high	94.4	Very high	14 Å²	14	54 Å²	54	10%	0.098	27%	0.272	C	S	.	.			trans	-78.1	152.6	-178.5	78	0	0	0	0	112.1	Y266 G273 I274 L322	Y266-S276 VanDerWaalsContact CE2-OG 3.31Å; Y266-S276 WeakPolarHBondContact CE2-OG 3.33Å; Y266-S276 PolarHBondContact OH-OG 3.14Å; G273-S276 VanDerWaalsContact O-CB 3.28Å; G273-S276 WeakPolarHBondContact O-CB 3.39Å; G273-S276 PolarHBondContact O-N 3.41Å; G273-S276 PolarHBondContact O-OG 3.26Å; I274-S276 PolarHBondContact O-N 3.02Å; S276-L322 VanDerWaalsContact CA-O 3.28Å; S276-L322 WeakPolarHBondContact CA-O 3.44Å; S276-L322 WeakPolarHBondContact CB-O 3.38Å
277	I	95.9	Very high	94.4	Very high	7 Å²	7	54 Å²	54	4%	0.036	28%	0.275	C	S	.	.	B	Isolated β-bridge	trans	-108.1	127.3	-179	-61	146.5	0	0	0	109.9	P223 L225 H252 P321 L322	P223-I277 HydrophobicContact CB-CD1 4.14Å; P223-I277 HydrophobicContact CB-CG1 3.91Å; L225-I277 HydrophobicContact CD1-CD1 4.1Å; L225-I277 HydrophobicContact CD1-CG2 4.27Å; L225-I277 HydrophobicContact CD2-CD1 3.42Å; L225-I277 VanDerWaalsContact CD2-CD1 3.42Å; L225-I277 HydrophobicContact CG-CD1 3.43Å; L225-I277 VanDerWaalsContact CG-CD1 3.43Å; H252-I277 HydrophobicContact CB-CD1 4.44Å; I277-P321 VanDerWaalsContact O-CA 3.31Å; I277-P321 WeakPolarHBondContact O-CA 3.26Å; I277-L322 HydrophobicContact CB-CB 4.36Å; I277-L322 PolarHBondContact N-O 3.32Å; I277-L322 PolarHBondContact O-N 3.37Å
278	R	95.2	Very high	94.6	Very high	122 Å²	122	48.7 Å²	48.7	46%	0.46	25%	0.252	S	S	.	.			trans	-101.4	-38.1	-176.8	-65.5	178.8	-176.3	-145.7	-2.1	112.9	Y266	Y266-R278 WeakPolarHBondContact OH-CG 3.47Å; Y266-R278 PolarHBondContact OH-NE 3.02Å
279	S	96.6	Very high	94.7	Very high	42 Å²	42	46.2 Å²	46.2	29%	0.294	25%	0.248	S	C	.	.			trans	-156.4	162.2	-178.7	63.7	0	0	0	0	109.8	E315 I316	S279-E315 VanDerWaalsContact CB-OE1 3.23Å; S279-E315 WeakPolarHBondContact CB-OE1 3.42Å; S279-E315 PolarHBondContact OG-OE1 3.37Å; S279-I316 WeakPolarHBondContact CA-O 3.31Å; S279-I316 WeakPolarHBondContact CB-O 3.4Å
280	F	96.8	Very high	94.9	Very high	16 Å²	16	46.8 Å²	46.8	7%	0.07	25%	0.254	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-145.1	157.6	167.4	50.4	-92.5	0	0	0	108.1	L225 L250 I316 P318 Y330 F360	L225-F280 HydrophobicContact CD1-CD1 4.2Å; L250-F280 HydrophobicContact CD2-CD1 4.38Å; L250-F280 HydrophobicContact CD2-CE1 3.67Å; L250-F280 HydrophobicContact CD2-CZ 3.99Å; F280-I316 HydrophobicContact CD2-CB 4.27Å; F280-I316 HydrophobicContact CE1-CG2 4.47Å; F280-I316 HydrophobicContact CE2-CB 3.84Å; F280-I316 HydrophobicContact CE2-CD1 4.18Å; F280-I316 HydrophobicContact CE2-CG2 3.95Å; F280-I316 HydrophobicContact CZ-CB 4.14Å; F280-I316 HydrophobicContact CZ-CG2 3.77Å; F280-I316 PolarHBondContact N-O 3.31Å; F280-I316 VanDerWaalsContact N-O 3.09Å; F280-I316 PolarHBondContact O-N 3.48Å; F280-P318 HydrophobicContact CE1-CG 3.85Å; F280-Y330 HydrophobicContact CE2-CE1 4.36Å; F280-Y330 AromaticContact CE2-CZ 3.96Å; F280-Y330 WeakPolarHBondContact CE2-OH 3.44Å; F280-Y330 AromaticContact CZ-CE1 3.73Å; F280-Y330 HydrophobicContact CZ-CE1 3.73Å; F280-Y330 AromaticContact CZ-CZ 3.8Å; F280-F360 HydrophobicContact CB-CB 4.04Å; F280-F360 HydrophobicContact CD2-CB 4.23Å; F280-F360 HydrophobicContact CG-CB 4.42Å
281	K	97	Very high	95.3	Very high	94 Å²	94	43.5 Å²	43.5	41%	0.409	23%	0.232	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-107	132.3	-178.5	-67.5	-173	174.9	-163.4	0	110.6	E313 M314 E315 H358 V359 F360	K281-E313 IonicContact NZ-OE2 2.85Å; K281-E313 PolarHBondContact NZ-OE2 2.91Å; K281-M314 WeakPolarHBondContact CA-O 3.18Å; K281-E315 HydrophobicContact CG-CB 4.29Å; K281-E315 HydrophobicContact CG-CG 4.35Å; K281-H358 PolarHBondContact O-CE1 3.33Å; K281-V359 CarbonylContact C-O 3.59Å; K281-V359 VanDerWaalsContact O-O 3.1Å; K281-F360 WeakPolarHBondContact O-CA 3.46Å
282	T	97.6	Very high	95.7	Very high	6 Å²	6	41.4 Å²	41.4	4%	0.037	22%	0.215	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-102.7	140.5	171.4	-59.6	0	0	0	0	108.3	L284 M314 H358 V359	T282-L284 HydrophobicContact CG2-CD2 3.75Å; T282-L284 HydrophobicContact CG2-CG 4.26Å; T282-M314 PolarHBondContact N-O 3.09Å; T282-M314 PolarHBondContact O-N 3.49Å; T282-H358 VanDerWaalsContact CG2-O 3.24Å; T282-H358 WeakPolarHBondContact CG2-O 3.09Å; T282-V359 VanDerWaalsContact CA-O 3.25Å; T282-V359 WeakPolarHBondContact CA-O 3.38Å; T282-V359 WeakPolarHBondContact CB-O 3.29Å; T282-V359 PolarHBondContact OG1-O 3.19Å
283	I	97.4	Very high	96.1	Very high	43 Å²	43	41.7 Å²	41.7	22%	0.221	22%	0.216	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-111.2	106.1	178.3	-54.9	-59	0	0	0	106.6	E313 H358	I283-E313 HydrophobicContact CD1-CG 3.51Å; I283-H358 HydrophobicContact CB-CB 4.18Å; I283-H358 PolarHBondContact N-ND1 3.01Å
284	L	97	Very high	96.4	Very high	2 Å²	2	48 Å²	48	1%	0.01	24%	0.239	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-90.1	156.2	178.2	-57.8	176	0	0	0	109.9	T282 A288 V291 V312 M314 Y334	T282-L284 HydrophobicContact CG2-CD2 3.75Å; T282-L284 HydrophobicContact CG2-CG 4.26Å; L284-A288 HydrophobicContact CB-CB 4.02Å; L284-A288 HydrophobicContact CD1-CB 4.4Å; L284-V291 HydrophobicContact CD1-CG1 3.95Å; L284-V291 HydrophobicContact CD1-CG2 3.82Å; L284-V312 HydrophobicContact CB-CB 4.13Å; L284-V312 PolarHBondContact N-O 3.48Å; L284-V312 PolarHBondContact O-N 2.98Å; L284-M314 HydrophobicContact CD1-CB 4.42Å; L284-M314 HydrophobicContact CD1-SD 4.19Å; L284-Y334 HydrophobicContact CD2-CD1 3.93Å; L284-Y334 HydrophobicContact CD2-CE1 3.68Å
285	P	96	Very high	96.4	Very high	14 Å²	14	46 Å²	46	9%	0.091	23%	0.229	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-57.6	146.2	172.4	-20.5	31.1	0	0	0	112.1	A287 A288 L336 Y341	P285-A287 PolarHBondContact O-N 2.9Å; P285-A288 VanDerWaalsContact O-CB 3.26Å; P285-A288 WeakPolarHBondContact O-CB 3.23Å; P285-A288 PolarHBondContact O-N 3.17Å; P285-L336 HydrophobicContact CB-CD2 4.12Å; P285-L336 HydrophobicContact CG-CD2 4.41Å; P285-Y341 WeakPolarHBondContact CB-OH 3.48Å
286	A	95.1	Very high	96.4	Very high	52 Å²	52	53.9 Å²	53.9	43%	0.43	27%	0.265	S	S	.	.	T	Hydrogen-bonded Turn	trans	-52.8	-30.4	-175.6	0	0	0	0	0	114.3	A288	A286-A288 VanDerWaalsContact C-N 3.34Å
287	A	95.2	Very high	96.4	Very high	12 Å²	12	59.9 Å²	59.9	10%	0.099	30%	0.295	C	S	.	.	T	Hydrogen-bonded Turn	trans	-89.4	7.9	-177.7	0	0	0	0	0	114.7	P285 Q289 L336 P337 E340	P285-A287 PolarHBondContact O-N 2.9Å; A287-Q289 PolarHBondContact O-N 3.37Å; A287-L336 HydrophobicContact CB-CD2 4.26Å; A287-P337 HydrophobicContact CB-CG 3.77Å; A287-P337 WeakPolarHBondContact O-CD 3.34Å; A287-E340 VanDerWaalsContact CB-CD 3.48Å; A287-E340 WeakPolarHBondContact CB-OE1 3.4Å; A287-E340 WeakPolarHBondContact CB-OE2 3.35Å
288	A	96.6	Very high	96.4	Very high	14 Å²	14	61 Å²	61	12%	0.116	31%	0.308	C	S	.	.			trans	-62.5	124.3	178.8	0	0	0	0	0	111.6	L284 P285 A286 V291 Y334 L336	L284-A288 HydrophobicContact CB-CB 4.02Å; L284-A288 HydrophobicContact CD1-CB 4.4Å; P285-A288 VanDerWaalsContact O-CB 3.26Å; P285-A288 WeakPolarHBondContact O-CB 3.23Å; P285-A288 PolarHBondContact O-N 3.17Å; A286-A288 VanDerWaalsContact C-N 3.34Å; A288-V291 HydrophobicContact CB-CG2 4.35Å; A288-Y334 HydrophobicContact CB-CD2 4.04Å; A288-Y334 HydrophobicContact CB-CG 4.31Å; A288-L336 HydrophobicContact CB-CD2 4.31Å
289	Q	95.7	Very high	96.5	Very high	119 Å²	119	59.7 Å²	59.7	56%	0.556	31%	0.31	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-122.8	163.9	175.9	-64.6	-178	8.3	0	0	110.2	A287 V291 N335	A287-Q289 PolarHBondContact O-N 3.37Å; Q289-V291 PolarHBondContact O-N 3.36Å; Q289-V291 VanDerWaalsContact O-N 3.14Å; Q289-N335 PolarHBondContact N-O 3.01Å; Q289-N335 PolarHBondContact O-N 3.09Å
290	D	96.2	Very high	96.5	Very high	113 Å²	113	57.9 Å²	57.9	60%	0.604	30%	0.297	S	S	*	.	E	Extended strand (participates in β ladder)	trans	51.7	36.9	176.3	-53.2	-36.6	0	0	0	114.6	Y292 N335	D290-Y292 WeakPolarHBondContact O-CD1 3.44Å; D290-Y292 PolarHBondContact O-N 2.97Å; D290-N335 PolarHBondContact OD2-ND2 3.42Å
291	V	97.5	Very high	96.5	Very high	39 Å²	39	62.1 Å²	62.1	24%	0.236	33%	0.329	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-61.8	123.7	-178.8	-174.6	0	0	0	0	110.1	L284 A288 Q289 L305 M314 G333	L284-V291 HydrophobicContact CD1-CG1 3.95Å; L284-V291 HydrophobicContact CD1-CG2 3.82Å; A288-V291 HydrophobicContact CB-CG2 4.35Å; Q289-V291 PolarHBondContact O-N 3.36Å; Q289-V291 VanDerWaalsContact O-N 3.14Å; V291-L305 HydrophobicContact CB-CD1 3.87Å; V291-L305 HydrophobicContact CG1-CD1 4.27Å; V291-L305 HydrophobicContact CG2-CD1 3.74Å; V291-M314 HydrophobicContact CG1-CE 4.09Å; V291-M314 HydrophobicContact CG1-SD 3.83Å; V291-G333 CarbonylContact C-O 3.37Å; V291-G333 VanDerWaalsContact CA-O 3.31Å; V291-G333 WeakPolarHBondContact CA-O 3.45Å
292	Y	97.6	Very high	96.4	Very high	83 Å²	83	60 Å²	60	33%	0.325	32%	0.324	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-120.6	142.7	171.5	59	-91.4	0	0	0	111.6	E245 D290 R294 I331 V332 G333	E245-Y292 PolarHBondContact OE2-OH 3.21Å; D290-Y292 WeakPolarHBondContact O-CD1 3.44Å; D290-Y292 PolarHBondContact O-N 2.97Å; Y292-R294 HydrophobicContact CD2-CG 4.27Å; Y292-I331 HydrophobicContact CE2-CG2 4.38Å; Y292-V332 WeakPolarHBondContact O-CA 3.23Å; Y292-G333 PolarHBondContact N-O 3.32Å; Y292-G333 PolarHBondContact O-N 3.43Å; Y292-G333 VanDerWaalsContact O-N 3.13Å
293	Y	98	Very high	96.4	Very high	8 Å²	8	61.8 Å²	61.8	3%	0.031	34%	0.336	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-122.4	112.3	176.2	177.3	-135.6	0	0	0	109.7	N299 V300 M314 I316 Y330 V332	Y293-N299 PolarHBondContact O-OD1 3.16Å; Y293-V300 HydrophobicContact CD1-CB 3.63Å; Y293-V300 HydrophobicContact CD1-CG1 3.87Å; Y293-V300 WeakPolarHBondContact CD1-O 3.25Å; Y293-V300 HydrophobicContact CE1-CB 3.43Å; Y293-V300 VanDerWaalsContact CE1-CB 3.43Å; Y293-V300 HydrophobicContact CE1-CG1 3.24Å; Y293-V300 HydrophobicContact CE1-CG2 4.24Å; Y293-V300 HydrophobicContact CG-CB 4.37Å; Y293-V300 PolarHBondContact O-N 3.12Å; Y293-M314 HydrophobicContact CG-CE 4.1Å; Y293-I316 HydrophobicContact CD2-CG2 4.49Å; Y293-I316 HydrophobicContact CE1-CG2 3.87Å; Y293-I316 HydrophobicContact CE2-CG2 3.75Å; Y293-I316 VanDerWaalsContact CZ-CG2 3.44Å; Y293-I316 WeakPolarHBondContact OH-CG2 3.32Å; Y293-Y330 HydrophobicContact CD2-CD2 4.2Å; Y293-Y330 AromaticContact CE2-CD2 3.66Å; Y293-Y330 HydrophobicContact CE2-CD2 3.66Å; Y293-Y330 AromaticContact CE2-CG 3.77Å; Y293-Y330 HydrophobicContact CE2-CG 3.77Å; Y293-V332 HydrophobicContact CD2-CG2 3.92Å
294	R	97.7	Very high	96.4	Very high	135 Å²	135	65.3 Å²	65.3	51%	0.509	35%	0.352	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-132.4	163.6	-174.5	-68.2	-174.2	152.3	-176.2	-6	110.9	Y292 G298 Y330 I331	Y292-R294 HydrophobicContact CD2-CG 4.27Å; R294-G298 CarbonylContact C-O 3.53Å; R294-G298 WeakPolarHBondContact CA-O 3.47Å; R294-Y330 WeakPolarHBondContact O-CA 3.5Å; R294-I331 PolarHBondContact N-O 2.91Å; R294-I331 PolarHBondContact O-N 3.25Å
295	D	94.7	Very high	96.4	Very high	25 Å²	25	69.2 Å²	69.2	13%	0.134	37%	0.372	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-125.4	180	163.1	67.9	-6.7	0	0	0	109.9	I297 G298 V300 R319	D295-I297 PolarHBondContact O-N 2.65Å; D295-I297 VanDerWaalsContact O-N 3.07Å; D295-I297 VanDerWaalsContact OD1-CG1 3.25Å; D295-I297 WeakPolarHBondContact OD1-CG1 3.37Å; D295-I297 PolarHBondContact OD1-N 3.48Å; D295-I297 WeakPolarHBondContact OD2-CG1 3.39Å; D295-G298 PolarHBondContact N-O 3.43Å; D295-G298 PolarHBondContact O-N 2.88Å; D295-G298 VanDerWaalsContact O-N 3.09Å; D295-G298 PolarHBondContact OD1-N 3.01Å; D295-V300 HydrophobicContact CB-CG2 4.06Å; D295-R319 IonicContact OD1-CZ 2.69Å; D295-R319 IonicContact OD1-NE 2.67Å; D295-R319 IonicContact OD1-NH2 3.8Å; D295-R319 PolarHBondContact OD1-NH2 2.74Å; D295-R319 IonicContact OD2-CZ 2.8Å; D295-R319 IonicContact OD2-NE 3.67Å; D295-R319 PolarHBondContact OD2-NE 3.3Å; D295-R319 IonicContact OD2-NH2 2.76Å; D295-R319 PolarHBondContact OD2-NH2 3.04Å
296	E	94.9	Very high	96.4	Very high	171 Å²	171	73.2 Å²	73.2	80%	0.799	39%	0.392	S	S	*	.	T	Hydrogen-bonded Turn	trans	-57.3	-26.5	-177.5	-167.8	-178.6	-178.9	0	0	112.9
297	I	96.1	Very high	96.5	Very high	141 Å²	141	76.9 Å²	76.9	72%	0.723	40%	0.403	S	S	*	.	T	Hydrogen-bonded Turn	trans	-101.5	2.2	-177.5	63.2	168.5	0	0	0	113.8	D295	D295-I297 PolarHBondContact O-N 2.65Å; D295-I297 VanDerWaalsContact O-N 3.07Å; D295-I297 VanDerWaalsContact OD1-CG1 3.25Å; D295-I297 WeakPolarHBondContact OD1-CG1 3.37Å; D295-I297 PolarHBondContact OD1-N 3.48Å; D295-I297 WeakPolarHBondContact OD2-CG1 3.39Å
298	G	96.2	Very high	96.5	Very high	30 Å²	30	79.3 Å²	79.3	31%	0.309	41%	0.414	S	S	.	.	E	Extended strand (participates in β ladder)	trans	135.8	-151.8	170.4	0	0	0	0	0	114.8	R294 D295	R294-G298 CarbonylContact C-O 3.53Å; R294-G298 WeakPolarHBondContact CA-O 3.47Å; D295-G298 PolarHBondContact N-O 3.43Å; D295-G298 PolarHBondContact O-N 2.88Å; D295-G298 VanDerWaalsContact O-N 3.09Å; D295-G298 PolarHBondContact OD1-N 3.01Å
299	N	96.6	Very high	96.3	Very high	95 Å²	95	87 Å²	87	51%	0.508	45%	0.454	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-74.8	145	-176.7	-162.3	68.9	0	0	0	111.9	Y293 R319	Y293-N299 PolarHBondContact O-OD1 3.16Å; N299-R319 PolarHBondContact O-NH2 3.21Å
300	V	96.3	Very high	96.2	Very high	3 Å²	3	87.5 Å²	87.5	2%	0.018	46%	0.46	C	S	.	.			trans	-115.3	111.9	171.4	-173.8	0	0	0	0	108.2	Y293 D295 T302 R319	Y293-V300 HydrophobicContact CD1-CB 3.63Å; Y293-V300 HydrophobicContact CD1-CG1 3.87Å; Y293-V300 WeakPolarHBondContact CD1-O 3.25Å; Y293-V300 HydrophobicContact CE1-CB 3.43Å; Y293-V300 VanDerWaalsContact CE1-CB 3.43Å; Y293-V300 HydrophobicContact CE1-CG1 3.24Å; Y293-V300 HydrophobicContact CE1-CG2 4.24Å; Y293-V300 HydrophobicContact CG-CB 4.37Å; Y293-V300 PolarHBondContact O-N 3.12Å; D295-V300 HydrophobicContact CB-CG2 4.06Å; V300-T302 VanDerWaalsContact C-N 3.27Å; V300-T302 VanDerWaalsContact CG1-OG1 3.27Å; V300-T302 WeakPolarHBondContact CG1-OG1 3.36Å; V300-T302 PolarHBondContact O-N 2.99Å; V300-R319 HydrophobicContact CG1-CG 4.35Å; V300-R319 HydrophobicContact CG2-CG 4.39Å
301	S	96.2	Very high	96.2	Very high	106 Å²	106	82.8 Å²	82.8	74%	0.741	44%	0.436	S	S	*	.			trans	-84.4	4.7	-175.6	55	0	0	0	0	114.3	S303	S301-S303 PolarHBondContact O-N 2.92Å
302	T	96.7	Very high	96.2	Very high	49 Å²	49	81.1 Å²	81.1	30%	0.301	43%	0.426	S	S	.	.			trans	-98.9	62.2	-176.5	51.5	0	0	0	0	111.4	V300 R317	V300-T302 VanDerWaalsContact C-N 3.27Å; V300-T302 VanDerWaalsContact CG1-OG1 3.27Å; V300-T302 WeakPolarHBondContact CG1-OG1 3.36Å; V300-T302 PolarHBondContact O-N 2.99Å; T302-R317 VanDerWaalsContact O-CB 3.32Å; T302-R317 WeakPolarHBondContact O-CB 3.27Å; T302-R317 PolarHBondContact O-N 2.95Å; T302-R317 PolarHBondContact OG1-O 3.36Å
303	S	96.7	Very high	96.1	Very high	43 Å²	43	79.5 Å²	79.5	30%	0.301	42%	0.421	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-135	151.9	172.1	55	0	0	0	0	110.8	S301 E315	S301-S303 PolarHBondContact O-N 2.92Å; S303-E315 CarbonylContact C-O 3.5Å; S303-E315 VanDerWaalsContact CA-O 3.23Å; S303-E315 WeakPolarHBondContact CA-O 3.22Å
304	H	97.3	Very high	96.1	Very high	118 Å²	118	79.3 Å²	79.3	55%	0.546	42%	0.421	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-130	123.4	173.4	-60.6	81.3	0	0	0	108.9	M314 E315	H304-M314 CarbonylContact O-C 3.57Å; H304-M314 WeakPolarHBondContact O-CA 2.99Å; H304-E315 HydrophobicContact CB-CB 4.43Å; H304-E315 PolarHBondContact N-O 2.97Å; H304-E315 PolarHBondContact O-N 3.27Å
305	L	96.6	Very high	96.1	Very high	83 Å²	83	75.9 Å²	75.9	44%	0.435	41%	0.411	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-108.6	130.4	179.7	-174.7	159.6	0	0	0	109.2	V291 I307 V312 E313	V291-L305 HydrophobicContact CB-CD1 3.87Å; V291-L305 HydrophobicContact CG1-CD1 4.27Å; V291-L305 HydrophobicContact CG2-CD1 3.74Å; L305-I307 HydrophobicContact CD2-CD1 4.41Å; L305-I307 HydrophobicContact CD2-CG1 3.61Å; L305-V312 HydrophobicContact CD1-CG1 3.83Å; L305-V312 HydrophobicContact CD2-CG1 3.53Å; L305-V312 HydrophobicContact CG-CG1 3.53Å; L305-E313 CarbonylContact C-O 3.54Å; L305-E313 WeakPolarHBondContact CA-O 3.41Å
306	L	96.9	Very high	96.3	Very high	99 Å²	99	74.7 Å²	74.7	52%	0.518	40%	0.404	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-123.1	119.6	174.5	-179.6	66.1	0	0	0	108.9	L308 E313	L306-L308 HydrophobicContact CD2-CD2 3.96Å; L306-L308 HydrophobicContact CG-CD2 4.18Å; L306-E313 HydrophobicContact CB-CB 4.3Å; L306-E313 PolarHBondContact N-O 3.08Å; L306-E313 PolarHBondContact O-N 3.45Å
307	I	96	Very high	96.4	Very high	129 Å²	129	71.8 Å²	71.8	66%	0.662	39%	0.386	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-82.9	119.9	176	-56.1	170.9	0	0	0	107.5	L305 V312	L305-I307 HydrophobicContact CD2-CD1 4.41Å; L305-I307 HydrophobicContact CD2-CG1 3.61Å; I307-V312 HydrophobicContact CG2-CG2 4.42Å
308	L	95.6	Very high	96.4	Very high	63 Å²	63	65.5 Å²	65.5	33%	0.33	35%	0.354	S	S	.	.			trans	-104.5	176.2	174.4	-62	170	0	0	0	109.7	L306 S311 E313	L306-L308 HydrophobicContact CD2-CD2 3.96Å; L306-L308 HydrophobicContact CG-CD2 4.18Å; L308-S311 CarbonylContact C-O 3.56Å; L308-S311 WeakPolarHBondContact CA-O 3.38Å; L308-S311 WeakPolarHBondContact CB-O 3.49Å; L308-S311 PolarHBondContact N-O 3.1Å; L308-E313 HydrophobicContact CD1-CB 4.28Å; L308-E313 HydrophobicContact CD1-CG 3.7Å; L308-E313 WeakPolarHBondContact CD1-OE1 3.35Å
309	D	92.5	Very high	96.4	Very high	176 Å²	176	70 Å²	70	94%	0.941	36%	0.362	S	S	*	.	S	Bend	trans	-70.5	-31.5	-178.8	-68	-25	0	0	0	112.6
310	D	94.4	Very high	96.4	Very high	128 Å²	128	69.3 Å²	69.3	68%	0.684	36%	0.355	S	S	*	.	S	Bend	trans	-114.3	-8.4	-173.1	65.9	-12.6	0	0	0	114.1
311	S	95.6	Very high	96.4	Very high	15 Å²	15	70 Å²	70	11%	0.105	36%	0.359	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-163.9	170.1	-170.1	58.4	0	0	0	0	111.9	L308	L308-S311 CarbonylContact C-O 3.56Å; L308-S311 WeakPolarHBondContact CA-O 3.38Å; L308-S311 WeakPolarHBondContact CB-O 3.49Å; L308-S311 PolarHBondContact N-O 3.1Å
312	V	96.9	Very high	96.4	Very high	3 Å²	3	65 Å²	65	2%	0.018	32%	0.324	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-118.4	110.5	169.6	177.1	0	0	0	0	108.5	L284 L305 I307	L284-V312 HydrophobicContact CB-CB 4.13Å; L284-V312 PolarHBondContact N-O 3.48Å; L284-V312 PolarHBondContact O-N 2.98Å; L305-V312 HydrophobicContact CD1-CG1 3.83Å; L305-V312 HydrophobicContact CD2-CG1 3.53Å; L305-V312 HydrophobicContact CG-CG1 3.53Å; I307-V312 HydrophobicContact CG2-CG2 4.42Å
313	E	97	Very high	96.4	Very high	50 Å²	50	62.8 Å²	62.8	23%	0.234	31%	0.31	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-78.5	129.3	175.8	-91.9	-169.4	-147.2	0	0	110.2	K281 I283 L305 L306 L308	K281-E313 IonicContact NZ-OE2 2.85Å; K281-E313 PolarHBondContact NZ-OE2 2.91Å; I283-E313 HydrophobicContact CD1-CG 3.51Å; L305-E313 CarbonylContact C-O 3.54Å; L305-E313 WeakPolarHBondContact CA-O 3.41Å; L306-E313 HydrophobicContact CB-CB 4.3Å; L306-E313 PolarHBondContact N-O 3.08Å; L306-E313 PolarHBondContact O-N 3.45Å; L308-E313 HydrophobicContact CD1-CB 4.28Å; L308-E313 HydrophobicContact CD1-CG 3.7Å; L308-E313 WeakPolarHBondContact CD1-OE1 3.35Å
314	M	97.4	Very high	96.4	Very high	3 Å²	3	60.8 Å²	60.8	2%	0.015	30%	0.296	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-127.6	104.3	177.4	-175.6	-172.1	179.3	0	0	110.3	K281 T282 L284 V291 Y293 H304 I316 V332	K281-M314 WeakPolarHBondContact CA-O 3.18Å; T282-M314 PolarHBondContact N-O 3.09Å; T282-M314 PolarHBondContact O-N 3.49Å; L284-M314 HydrophobicContact CD1-CB 4.42Å; L284-M314 HydrophobicContact CD1-SD 4.19Å; V291-M314 HydrophobicContact CG1-CE 4.09Å; V291-M314 HydrophobicContact CG1-SD 3.83Å; Y293-M314 HydrophobicContact CG-CE 4.1Å; H304-M314 CarbonylContact O-C 3.57Å; H304-M314 WeakPolarHBondContact O-CA 2.99Å; M314-I316 HydrophobicContact CE-CD1 3.86Å; M314-I316 HydrophobicContact CE-CG1 3.81Å; M314-I316 HydrophobicContact CG-CD1 4.43Å; M314-I316 HydrophobicContact CG-CG1 3.98Å; M314-I316 PolarHBondContact O-N 3.03Å; M314-I316 HydrophobicContact SD-CD1 3.95Å; M314-I316 HydrophobicContact SD-CG1 4.09Å; M314-V332 HydrophobicContact CE-CG2 4.29Å; M314-V332 HydrophobicContact SD-CG1 4.21Å
315	E	98	Very high	96.3	Very high	64 Å²	64	56.5 Å²	56.5	30%	0.299	28%	0.284	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-79.3	117.6	170.9	-171.4	-177.6	178.2	0	0	110	S279 K281 S303 H304	S279-E315 VanDerWaalsContact CB-OE1 3.23Å; S279-E315 WeakPolarHBondContact CB-OE1 3.42Å; S279-E315 PolarHBondContact OG-OE1 3.37Å; K281-E315 HydrophobicContact CG-CB 4.29Å; K281-E315 HydrophobicContact CG-CG 4.35Å; S303-E315 CarbonylContact C-O 3.5Å; S303-E315 VanDerWaalsContact CA-O 3.23Å; S303-E315 WeakPolarHBondContact CA-O 3.22Å; H304-E315 HydrophobicContact CB-CB 4.43Å; H304-E315 PolarHBondContact N-O 2.97Å; H304-E315 PolarHBondContact O-N 3.27Å
316	I	97.5	Very high	96.4	Very high	0 Å²	0	56.3 Å²	56.3	0%	0	28%	0.278	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-104.8	131.4	-179.1	-65.1	179.9	0	0	0	109.8	S279 F280 Y293 M314 Y330 V332	S279-I316 WeakPolarHBondContact CA-O 3.31Å; S279-I316 WeakPolarHBondContact CB-O 3.4Å; F280-I316 HydrophobicContact CD2-CB 4.27Å; F280-I316 HydrophobicContact CE1-CG2 4.47Å; F280-I316 HydrophobicContact CE2-CB 3.84Å; F280-I316 HydrophobicContact CE2-CD1 4.18Å; F280-I316 HydrophobicContact CE2-CG2 3.95Å; F280-I316 HydrophobicContact CZ-CB 4.14Å; F280-I316 HydrophobicContact CZ-CG2 3.77Å; F280-I316 PolarHBondContact N-O 3.31Å; F280-I316 VanDerWaalsContact N-O 3.09Å; F280-I316 PolarHBondContact O-N 3.48Å; Y293-I316 HydrophobicContact CD2-CG2 4.49Å; Y293-I316 HydrophobicContact CE1-CG2 3.87Å; Y293-I316 HydrophobicContact CE2-CG2 3.75Å; Y293-I316 VanDerWaalsContact CZ-CG2 3.44Å; Y293-I316 WeakPolarHBondContact OH-CG2 3.32Å; M314-I316 HydrophobicContact CE-CD1 3.86Å; M314-I316 HydrophobicContact CE-CG1 3.81Å; M314-I316 HydrophobicContact CG-CD1 4.43Å; M314-I316 HydrophobicContact CG-CG1 3.98Å; M314-I316 PolarHBondContact O-N 3.03Å; M314-I316 HydrophobicContact SD-CD1 3.95Å; M314-I316 HydrophobicContact SD-CG1 4.09Å; I316-Y330 HydrophobicContact CD1-CE2 4.33Å; I316-V332 HydrophobicContact CD1-CG2 3.79Å
317	R	97.5	Very high	96.4	Very high	109 Å²	109	58.5 Å²	58.5	41%	0.411	28%	0.283	S	S	.	.			trans	-118.2	113.1	170.6	-57.8	-177.3	64.6	-157	1.8	109	T302	T302-R317 VanDerWaalsContact O-CB 3.32Å; T302-R317 WeakPolarHBondContact O-CB 3.27Å; T302-R317 PolarHBondContact O-N 2.95Å; T302-R317 PolarHBondContact OG1-O 3.36Å
318	P	97.1	Very high	96.5	Very high	10 Å²	10	53.1 Å²	53.1	7%	0.065	26%	0.256	C	S	.	.			trans	-57.1	159.2	170.6	-22.2	32.8	0	0	0	111.5	F280 F320 L322 T328	F280-P318 HydrophobicContact CE1-CG 3.85Å; P318-F320 PolarHBondContact O-N 3.22Å; P318-L322 HydrophobicContact CG-CD1 4.18Å; P318-T328 HydrophobicContact CB-CG2 4.34Å; P318-T328 HydrophobicContact CG-CG2 4.3Å
319	R	96.2	Very high	96.6	Very high	123 Å²	123	53.1 Å²	53.1	46%	0.464	25%	0.254	S	S	.	.	S	Bend	trans	-55.8	-26.3	-179.2	-69.3	-164.5	-174.3	-85.5	-4.9	113.8	D295 N299 V300	D295-R319 IonicContact OD1-CZ 2.69Å; D295-R319 IonicContact OD1-NE 2.67Å; D295-R319 IonicContact OD1-NH2 3.8Å; D295-R319 PolarHBondContact OD1-NH2 2.74Å; D295-R319 IonicContact OD2-CZ 2.8Å; D295-R319 IonicContact OD2-NE 3.67Å; D295-R319 PolarHBondContact OD2-NE 3.3Å; D295-R319 IonicContact OD2-NH2 2.76Å; D295-R319 PolarHBondContact OD2-NH2 3.04Å; N299-R319 PolarHBondContact O-NH2 3.21Å; V300-R319 HydrophobicContact CG1-CG 4.35Å; V300-R319 HydrophobicContact CG2-CG 4.39Å
320	F	96	Very high	96.9	Very high	82 Å²	82	44.8 Å²	44.8	36%	0.36	21%	0.21	S	C	.	.	S	Bend	trans	-139.7	148.9	177.3	50.2	-97.1	0	0	0	110.2	P318 L322 W326 K327	P318-F320 PolarHBondContact O-N 3.22Å; F320-L322 HydrophobicContact CE2-CD2 4.17Å; F320-W326 HydrophobicContact CB-CZ3 4.37Å; F320-W326 AromaticContact CD2-CE3 3.47Å; F320-W326 HydrophobicContact CD2-CE3 3.47Å; F320-W326 VanDerWaalsContact CD2-CE3 3.47Å; F320-W326 AromaticContact CD2-CZ3 3.71Å; F320-W326 HydrophobicContact CD2-CZ3 3.71Å; F320-W326 AromaticContact CE2-CE3 3.78Å; F320-W326 HydrophobicContact CE2-CE3 3.78Å; F320-W326 HydrophobicContact CE2-CZ3 4.4Å; F320-W326 HydrophobicContact CG-CE3 4.47Å; F320-W326 HydrophobicContact CG-CZ3 4.31Å; F320-K327 WeakPolarHBondContact CZ-O 3.17Å
321	P	96	Very high	97.1	Very high	17 Å²	17	40.3 Å²	40.3	11%	0.11	19%	0.185	C	C	.	.	P	Polyproline II helix	trans	-59.5	141.2	172	-19.5	31.4	0	0	0	110.7	Y266 I277 W326	Y266-P321 HydrophobicContact CE1-CB 4.45Å; Y266-P321 HydrophobicContact CE1-CG 3.88Å; I277-P321 VanDerWaalsContact O-CA 3.31Å; I277-P321 WeakPolarHBondContact O-CA 3.26Å; P321-W326 WeakPolarHBondContact O-CZ3 3.19Å
322	L	96.9	Very high	97.2	Very high	0 Å²	0	39.9 Å²	39.9	0%	0	18%	0.182	C	C	.	.	B	Isolated β-bridge	trans	-88.4	117.7	177.6	-67.4	152.9	0	0	0	108.5	L225 L250 H252 S276 I277 P318 F320 W326 T328	L225-L322 HydrophobicContact CD2-CD1 4.13Å; L250-L322 HydrophobicContact CD2-CD1 4.07Å; H252-L322 HydrophobicContact CB-CB 4.13Å; H252-L322 PolarHBondContact CD2-O 3.19Å; S276-L322 VanDerWaalsContact CA-O 3.28Å; S276-L322 WeakPolarHBondContact CA-O 3.44Å; S276-L322 WeakPolarHBondContact CB-O 3.38Å; I277-L322 HydrophobicContact CB-CB 4.36Å; I277-L322 PolarHBondContact N-O 3.32Å; I277-L322 PolarHBondContact O-N 3.37Å; P318-L322 HydrophobicContact CG-CD1 4.18Å; F320-L322 HydrophobicContact CE2-CD2 4.17Å; L322-W326 HydrophobicContact CD2-CB 4.02Å; L322-T328 HydrophobicContact CD1-CG2 3.92Å; L322-T328 HydrophobicContact CD2-CG2 4.03Å; L322-T328 HydrophobicContact CG-CG2 4.46Å
323	F	97.1	Very high	97.3	Very high	4 Å²	4	39.7 Å²	39.7	2%	0.018	18%	0.181	C	C	.	.	P	Polyproline II helix	trans	-96.1	161.6	162.2	-81.8	-97.1	0	0	0	109.8	Q148 L257 F261 Y266 G325 W326	Q148-F323 HydrophobicContact CB-CE1 4.45Å; Q148-F323 HydrophobicContact CG-CE1 3.7Å; Q148-F323 HydrophobicContact CG-CZ 3.7Å; L257-F323 HydrophobicContact CB-CB 4.04Å; L257-F323 HydrophobicContact CD1-CD1 3.9Å; L257-F323 HydrophobicContact CD1-CE1 4.34Å; L257-F323 HydrophobicContact CD2-CB 4.16Å; L257-F323 HydrophobicContact CD2-CD1 4.32Å; L257-F323 HydrophobicContact CD2-CG 4.17Å; L257-F323 HydrophobicContact CG-CD1 4.48Å; F261-F323 HydrophobicContact CD2-CD2 4.3Å; F261-F323 AromaticContact CD2-CE2 3.77Å; F261-F323 HydrophobicContact CD2-CE2 3.77Å; F261-F323 HydrophobicContact CD2-CZ 4.23Å; F261-F323 HydrophobicContact CE2-CD2 4.42Å; F261-F323 AromaticContact CE2-CE2 3.61Å; F261-F323 HydrophobicContact CE2-CE2 3.61Å; F261-F323 HydrophobicContact CE2-CZ 4.18Å; Y266-F323 HydrophobicContact CD2-CE2 4.1Å; Y266-F323 AromaticContact CD2-CZ 3.78Å; Y266-F323 HydrophobicContact CD2-CZ 3.78Å; Y266-F323 AromaticContact CE2-CE2 3.89Å; Y266-F323 HydrophobicContact CE2-CE2 3.89Å; Y266-F323 AromaticContact CE2-CZ 3.71Å; Y266-F323 HydrophobicContact CE2-CZ 3.71Å; F323-G325 PolarHBondContact O-N 2.94Å; F323-W326 HydrophobicContact CB-CD2 4.27Å; F323-W326 HydrophobicContact CB-CG 4.42Å; F323-W326 WeakPolarHBondContact O-CB 3.2Å; F323-W326 PolarHBondContact O-N 3.46Å
324	G	96	Very high	97.3	Very high	1 Å²	1	37.4 Å²	37.4	1%	0.01	17%	0.17	C	C	.	.	B	Isolated β-bridge	trans	-53.1	133.4	-176.2	0	0	0	0	0	112.6	H252 A255 V256 L257 W326	H252-G324 PolarHBondContact CD2-N 3.01Å; A255-G324 WeakPolarHBondContact O-CA 3.46Å; V256-G324 WeakPolarHBondContact CA-O 3.47Å; L257-G324 PolarHBondContact N-O 3.14Å; L257-G324 VanDerWaalsContact N-O 3.14Å; G324-W326 VanDerWaalsContact C-N 3.32Å
325	G	95.6	Very high	97.3	Very high	28 Å²	28	39 Å²	39	29%	0.289	18%	0.179	S	C	.	.	T	Hydrogen-bonded Turn	trans	88.3	-17.1	-175	0	0	0	0	0	114.9	H252 F323	H252-G325 PolarHBondContact O-N 3.31Å; F323-G325 PolarHBondContact O-N 2.94Å
326	W	97.8	Very high	97.3	Very high	79 Å²	79	36.1 Å²	36.1	30%	0.299	17%	0.165	S	C	.	.			trans	-73.5	150.1	178.9	-66.2	21.8	0	0	0	110.8	K251 H252 L257 F261 F320 P321 L322 F323 G324	K251-W326 WeakPolarHBondContact CA-O 3.31Å; H252-W326 PolarHBondContact N-O 3.01Å; L257-W326 HydrophobicContact CD2-CZ2 4.23Å; F261-W326 HydrophobicContact CB-CZ2 4.4Å; F261-W326 HydrophobicContact CD1-CH2 4.33Å; F261-W326 HydrophobicContact CG-CH2 4.26Å; F320-W326 HydrophobicContact CB-CZ3 4.37Å; F320-W326 AromaticContact CD2-CE3 3.47Å; F320-W326 HydrophobicContact CD2-CE3 3.47Å; F320-W326 VanDerWaalsContact CD2-CE3 3.47Å; F320-W326 AromaticContact CD2-CZ3 3.71Å; F320-W326 HydrophobicContact CD2-CZ3 3.71Å; F320-W326 AromaticContact CE2-CE3 3.78Å; F320-W326 HydrophobicContact CE2-CE3 3.78Å; F320-W326 HydrophobicContact CE2-CZ3 4.4Å; F320-W326 HydrophobicContact CG-CE3 4.47Å; F320-W326 HydrophobicContact CG-CZ3 4.31Å; P321-W326 WeakPolarHBondContact O-CZ3 3.19Å; L322-W326 HydrophobicContact CD2-CB 4.02Å; F323-W326 HydrophobicContact CB-CD2 4.27Å; F323-W326 HydrophobicContact CB-CG 4.42Å; F323-W326 WeakPolarHBondContact O-CB 3.2Å; F323-W326 PolarHBondContact O-N 3.46Å; G324-W326 VanDerWaalsContact C-N 3.32Å
327	K	97.6	Very high	97.3	Very high	144 Å²	144	37 Å²	37	63%	0.626	17%	0.171	S	C	*	.	E	Extended strand (participates in β ladder)	trans	-123.8	146.3	179.8	-58.6	-179.7	-176.7	-177.1	0	109.4	L250 K251 F320	L250-K327 CarbonylContact O-C 3.59Å; L250-K327 VanDerWaalsContact O-CA 3.27Å; L250-K327 WeakPolarHBondContact O-CA 3.33Å; K251-K327 HydrophobicContact CB-CG 4.08Å; K251-K327 HydrophobicContact CD-CG 4.43Å; K251-K327 HydrophobicContact CG-CG 3.93Å; F320-K327 WeakPolarHBondContact CZ-O 3.17Å
328	T	97.5	Very high	97.2	Very high	17 Å²	17	32.9 Å²	32.9	10%	0.104	16%	0.159	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-132.6	146.8	168.2	-171.5	0	0	0	0	108.5	L250 P318 L322 Y330	L250-T328 HydrophobicContact CB-CG2 3.85Å; L250-T328 HydrophobicContact CD2-CG2 4.03Å; L250-T328 HydrophobicContact CG-CG2 4.43Å; L250-T328 PolarHBondContact N-O 2.97Å; L250-T328 PolarHBondContact O-N 3.14Å; L250-T328 VanDerWaalsContact O-O 3.12Å; P318-T328 HydrophobicContact CB-CG2 4.34Å; P318-T328 HydrophobicContact CG-CG2 4.3Å; L322-T328 HydrophobicContact CD1-CG2 3.92Å; L322-T328 HydrophobicContact CD2-CG2 4.03Å; L322-T328 HydrophobicContact CG-CG2 4.46Å; T328-Y330 HydrophobicContact CG2-CD1 4.4Å
329	H	98	Very high	97.1	Very high	62 Å²	62	40.6 Å²	40.6	29%	0.287	19%	0.188	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-122.7	133.2	174.9	175.5	95.3	0	0	0	107	V248 D249	V248-H329 WeakPolarHBondContact O-CA 3.4Å; D249-H329 IonicContact OD1-CE1 3.64Å; D249-H329 IonicContact OD1-CG 3.62Å; D249-H329 IonicContact OD1-ND1 2.73Å; D249-H329 PolarHBondContact OD1-ND1 3.47Å
330	Y	98.2	Very high	97	Very high	2 Å²	2	38.2 Å²	38.2	1%	0.008	18%	0.182	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-151.2	165.4	177	67.6	-92.1	0	0	0	111.7	V248 L250 F280 Y293 R294 I316 T328 V332 V359	V248-Y330 HydrophobicContact CB-CD1 4.36Å; V248-Y330 HydrophobicContact CB-CD2 4.36Å; V248-Y330 HydrophobicContact CB-CE1 3.88Å; V248-Y330 HydrophobicContact CB-CE2 3.9Å; V248-Y330 HydrophobicContact CG1-CE1 3.85Å; V248-Y330 HydrophobicContact CG1-CE2 4.48Å; V248-Y330 HydrophobicContact CG2-CE2 3.96Å; V248-Y330 PolarHBondContact N-O 3.23Å; V248-Y330 PolarHBondContact O-N 3.09Å; V248-Y330 VanDerWaalsContact O-N 3.13Å; L250-Y330 HydrophobicContact CB-CE1 4.39Å; L250-Y330 HydrophobicContact CD2-CE1 4.44Å; F280-Y330 HydrophobicContact CE2-CE1 4.36Å; F280-Y330 AromaticContact CE2-CZ 3.96Å; F280-Y330 WeakPolarHBondContact CE2-OH 3.44Å; F280-Y330 AromaticContact CZ-CE1 3.73Å; F280-Y330 HydrophobicContact CZ-CE1 3.73Å; F280-Y330 AromaticContact CZ-CZ 3.8Å; Y293-Y330 HydrophobicContact CD2-CD2 4.2Å; Y293-Y330 AromaticContact CE2-CD2 3.66Å; Y293-Y330 HydrophobicContact CE2-CD2 3.66Å; Y293-Y330 AromaticContact CE2-CG 3.77Å; Y293-Y330 HydrophobicContact CE2-CG 3.77Å; R294-Y330 WeakPolarHBondContact O-CA 3.5Å; I316-Y330 HydrophobicContact CD1-CE2 4.33Å; T328-Y330 HydrophobicContact CG2-CD1 4.4Å; Y330-V332 HydrophobicContact CD2-CG2 3.82Å; Y330-V332 HydrophobicContact CE2-CG2 3.73Å; Y330-V359 VanDerWaalsContact OH-CG1 3.28Å; Y330-V359 WeakPolarHBondContact OH-CG1 3.28Å
331	I	98.5	Very high	97.1	Very high	33 Å²	33	36.5 Å²	36.5	17%	0.169	17%	0.174	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-124.9	125.8	-178.6	-49.7	-176.6	0	0	0	107.9	E245 E246 N247 Y292 R294	E245-I331 HydrophobicContact CG-CG2 3.53Å; E246-I331 WeakPolarHBondContact O-CA 3.28Å; N247-I331 WeakPolarHBondContact OD1-CD1 3.35Å; N247-I331 WeakPolarHBondContact OD1-CG1 3.29Å; N247-I331 VanDerWaalsContact OD1-CG2 3.32Å; N247-I331 WeakPolarHBondContact OD1-CG2 3.36Å; Y292-I331 HydrophobicContact CE2-CG2 4.38Å; R294-I331 PolarHBondContact N-O 2.91Å; R294-I331 PolarHBondContact O-N 3.25Å
332	V	98.4	Very high	97.1	Very high	6 Å²	6	36.8 Å²	36.8	4%	0.036	17%	0.174	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-117.8	127.8	169.4	173.2	0	0	0	0	107.9	E246 Y292 Y293 M314 I316 Y330 Y334	E246-V332 PolarHBondContact N-O 3.25Å; E246-V332 PolarHBondContact O-N 2.74Å; Y292-V332 WeakPolarHBondContact O-CA 3.23Å; Y293-V332 HydrophobicContact CD2-CG2 3.92Å; M314-V332 HydrophobicContact CE-CG2 4.29Å; M314-V332 HydrophobicContact SD-CG1 4.21Å; I316-V332 HydrophobicContact CD1-CG2 3.79Å; Y330-V332 HydrophobicContact CD2-CG2 3.82Å; Y330-V332 HydrophobicContact CE2-CG2 3.73Å; V332-Y334 HydrophobicContact CG1-CD1 4.49Å
333	G	98.1	Very high	97.1	Very high	0 Å²	0	43.2 Å²	43.2	0%	0	20%	0.199	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-136.1	153.5	173.9	0	0	0	0	0	112.3	V244 V291 Y292	V244-G333 CarbonylContact O-C 3.54Å; V244-G333 WeakPolarHBondContact O-CA 3.31Å; V291-G333 CarbonylContact C-O 3.37Å; V291-G333 VanDerWaalsContact CA-O 3.31Å; V291-G333 WeakPolarHBondContact CA-O 3.45Å; Y292-G333 PolarHBondContact N-O 3.32Å; Y292-G333 PolarHBondContact O-N 3.43Å; Y292-G333 VanDerWaalsContact O-N 3.13Å
334	Y	98.2	Very high	97.1	Very high	1 Å²	1	47.5 Å²	47.5	0%	0.004	22%	0.223	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-157.5	157.2	-177.7	56.4	-90.1	0	0	0	111.2	R232 V244 L284 A288 V332 L336 D357	R232-Y334 PolarHBondContact NH2-OH 3.01Å; V244-Y334 HydrophobicContact CB-CD2 4.3Å; V244-Y334 HydrophobicContact CB-CE1 4.18Å; V244-Y334 HydrophobicContact CB-CE2 3.79Å; V244-Y334 HydrophobicContact CG1-CE1 4.15Å; V244-Y334 HydrophobicContact CG1-CE2 4.37Å; V244-Y334 HydrophobicContact CG2-CE2 4Å; V244-Y334 PolarHBondContact N-O 3.17Å; V244-Y334 PolarHBondContact O-N 2.93Å; L284-Y334 HydrophobicContact CD2-CD1 3.93Å; L284-Y334 HydrophobicContact CD2-CE1 3.68Å; A288-Y334 HydrophobicContact CB-CD2 4.04Å; A288-Y334 HydrophobicContact CB-CG 4.31Å; V332-Y334 HydrophobicContact CG1-CD1 4.49Å; Y334-L336 HydrophobicContact CD2-CD1 4.45Å; Y334-L336 HydrophobicContact CD2-CD2 4.13Å; Y334-L336 HydrophobicContact CD2-CG 3.98Å; Y334-L336 HydrophobicContact CE2-CD1 3.88Å; Y334-L336 HydrophobicContact CE2-CD2 4.14Å; Y334-L336 HydrophobicContact CE2-CG 3.91Å; Y334-D357 PolarHBondContact OH-OD2 3Å
335	N	97.9	Very high	97	Very high	37 Å²	37	54 Å²	54	20%	0.198	26%	0.256	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-103.6	141.5	175.5	-71.1	-36.9	0	0	0	110.5	N241 A243 Q289 D290	N241-N335 PolarHBondContact ND2-OD1 3.02Å; A243-N335 WeakPolarHBondContact CB-OD1 3.25Å; Q289-N335 PolarHBondContact N-O 3.01Å; Q289-N335 PolarHBondContact O-N 3.09Å; D290-N335 PolarHBondContact OD2-ND2 3.42Å
336	L	96.9	Very high	97	Very high	3 Å²	3	55.1 Å²	55.1	2%	0.016	27%	0.268	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-118.4	144.4	172	-63.8	169.3	0	0	0	110	N241 I242 V244 P285 A287 A288 Y334 S338 Y341 M353	N241-L336 CarbonylContact C-O 3.57Å; N241-L336 VanDerWaalsContact CA-O 3.31Å; N241-L336 WeakPolarHBondContact CA-O 3.24Å; N241-L336 WeakPolarHBondContact CB-O 3.14Å; I242-L336 PolarHBondContact N-O 3.39Å; I242-L336 PolarHBondContact O-N 3.17Å; V244-L336 HydrophobicContact CG2-CD1 4.3Å; P285-L336 HydrophobicContact CB-CD2 4.12Å; P285-L336 HydrophobicContact CG-CD2 4.41Å; A287-L336 HydrophobicContact CB-CD2 4.26Å; A288-L336 HydrophobicContact CB-CD2 4.31Å; Y334-L336 HydrophobicContact CD2-CD1 4.45Å; Y334-L336 HydrophobicContact CD2-CD2 4.13Å; Y334-L336 HydrophobicContact CD2-CG 3.98Å; Y334-L336 HydrophobicContact CE2-CD1 3.88Å; Y334-L336 HydrophobicContact CE2-CD2 4.14Å; Y334-L336 HydrophobicContact CE2-CG 3.91Å; L336-S338 PolarHBondContact O-N 3.2Å; L336-Y341 HydrophobicContact CB-CD2 4.18Å; L336-Y341 HydrophobicContact CB-CE2 4.01Å; L336-Y341 HydrophobicContact CD1-CD2 4.1Å; L336-Y341 HydrophobicContact CD1-CE2 3.68Å; L336-Y341 HydrophobicContact CD2-CE2 4.09Å; L336-Y341 HydrophobicContact CG-CE2 4.15Å; L336-M353 HydrophobicContact CD1-CE 3.64Å
337	P	97.1	Very high	96.9	Very high	18 Å²	18	55.8 Å²	55.8	12%	0.117	28%	0.278	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-63.4	132.4	169.4	26.1	-32.1	0	0	0	110.7	A287 Y339 E340	A287-P337 HydrophobicContact CB-CG 3.77Å; A287-P337 WeakPolarHBondContact O-CD 3.34Å; P337-Y339 VanDerWaalsContact C-N 3.3Å; P337-Y339 HydrophobicContact CB-CD1 3.79Å; P337-Y339 HydrophobicContact CB-CE1 3.31Å; P337-Y339 HydrophobicContact CB-CE2 4.48Å; P337-Y339 HydrophobicContact CG-CE1 4.14Å; P337-Y339 PolarHBondContact O-N 3.32Å; P337-E340 HydrophobicContact CG-CG 3.99Å
338	S	95.7	Very high	96.8	Very high	23 Å²	23	54.9 Å²	54.9	16%	0.161	28%	0.275	C	S	.	.	H	α-helix	trans	-63.7	-33.8	-175	61.4	0	0	0	0	113.4	G240 L336 E340 Y341 L342	G240-S338 WeakPolarHBondContact O-CB 3.48Å; G240-S338 PolarHBondContact O-N 2.86Å; G240-S338 VanDerWaalsContact O-N 3.14Å; G240-S338 PolarHBondContact O-OG 3.2Å; G240-S338 VanDerWaalsContact O-OG 3.08Å; L336-S338 PolarHBondContact O-N 3.2Å; S338-E340 PolarHBondContact O-N 3.1Å; S338-E340 VanDerWaalsContact O-N 3.13Å; S338-Y341 PolarHBondContact O-N 3.45Å; S338-L342 WeakPolarHBondContact O-CB 3.47Å; S338-L342 PolarHBondContact O-N 2.86Å
339	Y	95	Very high	96.8	Very high	172 Å²	172	54.6 Å²	54.6	68%	0.675	27%	0.273	S	S	*	.	H	α-helix	trans	-64.1	-19	-173.9	63.8	-101.1	0	0	0	114.9	P337	P337-Y339 VanDerWaalsContact C-N 3.3Å; P337-Y339 HydrophobicContact CB-CD1 3.79Å; P337-Y339 HydrophobicContact CB-CE1 3.31Å; P337-Y339 HydrophobicContact CB-CE2 4.48Å; P337-Y339 HydrophobicContact CG-CE1 4.14Å; P337-Y339 PolarHBondContact O-N 3.32Å
340	E	95.2	Very high	96.8	Very high	74 Å²	74	52.5 Å²	52.5	35%	0.346	27%	0.266	S	S	.	.	H	α-helix	trans	-80.9	-30.2	178.5	-65.5	-173.1	-170.2	0	0	112.7	A287 P337 S338	A287-E340 VanDerWaalsContact CB-CD 3.48Å; A287-E340 WeakPolarHBondContact CB-OE1 3.4Å; A287-E340 WeakPolarHBondContact CB-OE2 3.35Å; P337-E340 HydrophobicContact CG-CG 3.99Å; S338-E340 PolarHBondContact O-N 3.1Å; S338-E340 VanDerWaalsContact O-N 3.13Å
341	Y	96.9	Very high	96.8	Very high	46 Å²	46	52.6 Å²	52.6	18%	0.18	27%	0.267	C	S	.	.	H	α-helix	trans	-116.5	-14.5	-171.3	-61.1	-83.3	0	0	0	113.4	P285 L336 S338 K352 M353	P285-Y341 WeakPolarHBondContact CB-OH 3.48Å; L336-Y341 HydrophobicContact CB-CD2 4.18Å; L336-Y341 HydrophobicContact CB-CE2 4.01Å; L336-Y341 HydrophobicContact CD1-CD2 4.1Å; L336-Y341 HydrophobicContact CD1-CE2 3.68Å; L336-Y341 HydrophobicContact CD2-CE2 4.09Å; L336-Y341 HydrophobicContact CG-CE2 4.15Å; S338-Y341 PolarHBondContact O-N 3.45Å; Y341-K352 WeakPolarHBondContact CD1-O 3.48Å; Y341-K352 PolarHBondContact O-N 3.25Å; Y341-M353 HydrophobicContact CD1-CG 3.96Å; Y341-M353 HydrophobicContact CG-CG 4.2Å
342	L	97.1	Very high	96.8	Very high	23 Å²	23	55.4 Å²	55.4	12%	0.12	28%	0.278	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-117.6	113.8	-174.8	-172.6	146.7	0	0	0	111	V236 I242 S338 Y349 Y428	V236-L342 HydrophobicContact CG1-CD1 3.55Å; I242-L342 HydrophobicContact CD1-CB 4.45Å; S338-L342 WeakPolarHBondContact O-CB 3.47Å; S338-L342 PolarHBondContact O-N 2.86Å; L342-Y349 HydrophobicContact CD2-CD1 3.69Å; L342-Y349 HydrophobicContact CD2-CE1 4.09Å; L342-Y349 HydrophobicContact CG-CD1 4.45Å; L342-Y428 WeakPolarHBondContact CD1-OH 3.1Å
343	Y	97	Very high	96.7	Very high	134 Å²	134	55.4 Å²	55.4	53%	0.525	28%	0.277	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-101.5	142.8	-179.8	-58.5	-98.1	0	0	0	109.4	Y349 A350 K352	Y343-Y349 CarbonylContact O-C 3.55Å; Y343-Y349 WeakPolarHBondContact O-CA 3.41Å; Y343-A350 PolarHBondContact N-O 2.91Å; Y343-A350 PolarHBondContact O-N 3.45Å; Y343-K352 HydrophobicContact CE2-CB 4.31Å
344	N	95.4	Very high	96.7	Very high	95 Å²	95	60 Å²	60	51%	0.508	30%	0.295	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-133.9	144.9	176.9	69.8	-5	0	0	0	113	Q348 Y349	N344-Q348 WeakPolarHBondContact CA-O 3.44Å; N344-Y349 HydrophobicContact CB-CD1 3.7Å; N344-Y349 HydrophobicContact CB-CE1 3.7Å; N344-Y349 HydrophobicContact CB-CG 4.39Å
345	L	95.9	Very high	96.7	Very high	136 Å²	136	60 Å²	60	71%	0.712	30%	0.295	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-144.8	107.9	172.8	-179.1	64.4	0	0	0	108.8	D347 Q348	L345-D347 PolarHBondContact O-N 3.2Å; L345-Q348 PolarHBondContact N-O 3.45Å; L345-Q348 WeakPolarHBondContact O-CB 3.36Å; L345-Q348 PolarHBondContact O-N 3.38Å
346	G	94.6	Very high	96.6	Very high	52 Å²	52	58.2 Å²	58.2	54%	0.536	29%	0.285	S	S	.	.	T	Hydrogen-bonded Turn	trans	64	-119.1	-171.5	0	0	0	0	0	111.6
347	D	94.7	Very high	96.6	Very high	94 Å²	94	58.2 Å²	58.2	50%	0.503	29%	0.285	S	S	.	.	T	Hydrogen-bonded Turn	trans	-100.2	1.7	175.3	-68.9	-18.6	0	0	0	112.8	L345 Y349 T429 F430	L345-D347 PolarHBondContact O-N 3.2Å; D347-Y349 WeakPolarHBondContact O-CD2 3.18Å; D347-T429 VanDerWaalsContact O-CA 3.31Å; D347-T429 WeakPolarHBondContact O-CA 3.43Å; D347-F430 PolarHBondContact O-N 2.93Å
348	Q	97.1	Very high	96.7	Very high	124 Å²	124	58.2 Å²	58.2	58%	0.579	28%	0.283	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-90.5	137.5	175.2	-67.3	-179.9	-7.8	0	0	110.3	N344 L345 T429	N344-Q348 WeakPolarHBondContact CA-O 3.44Å; L345-Q348 PolarHBondContact N-O 3.45Å; L345-Q348 WeakPolarHBondContact O-CB 3.36Å; L345-Q348 PolarHBondContact O-N 3.38Å; Q348-T429 HydrophobicContact CG-CG2 4.04Å
349	Y	97.7	Very high	96.7	Very high	12 Å²	12	57.3 Å²	57.3	5%	0.047	28%	0.277	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-127.6	140.5	179.6	-70.2	-95.9	0	0	0	109.4	H238 L342 Y343 N344 D347 H427 Y428 F430 K432	H238-Y349 AromaticContact CE1-CD1 3.42Å; H238-Y349 VanDerWaalsContact CE1-CD1 3.42Å; H238-Y349 WeakPolarHBondContact CE1-CD1 3.38Å; H238-Y349 AromaticContact CE1-CD2 3.98Å; H238-Y349 AromaticContact CE1-CE1 3.22Å; H238-Y349 WeakPolarHBondContact CE1-CE1 3.36Å; H238-Y349 AromaticContact CE1-CE2 3.86Å; H238-Y349 AromaticContact CE1-CG 3.76Å; H238-Y349 AromaticContact CE1-CZ 3.44Å; H238-Y349 VanDerWaalsContact CE1-CZ 3.44Å; H238-Y349 AromaticContact ND1-CE1 3.57Å; H238-Y349 AromaticContact ND1-CZ 3.63Å; H238-Y349 AromaticContact NE2-CD1 3.98Å; L342-Y349 HydrophobicContact CD2-CD1 3.69Å; L342-Y349 HydrophobicContact CD2-CE1 4.09Å; L342-Y349 HydrophobicContact CG-CD1 4.45Å; Y343-Y349 CarbonylContact O-C 3.55Å; Y343-Y349 WeakPolarHBondContact O-CA 3.41Å; N344-Y349 HydrophobicContact CB-CD1 3.7Å; N344-Y349 HydrophobicContact CB-CE1 3.7Å; N344-Y349 HydrophobicContact CB-CG 4.39Å; D347-Y349 WeakPolarHBondContact O-CD2 3.18Å; Y349-H427 WeakPolarHBondContact O-CA 3.37Å; Y349-Y428 HydrophobicContact CD2-CE2 4.43Å; Y349-Y428 HydrophobicContact CG-CE2 4.08Å; Y349-Y428 PolarHBondContact N-O 3.28Å; Y349-Y428 PolarHBondContact O-N 3.48Å; Y349-F430 HydrophobicContact CD2-CB 3.77Å; Y349-F430 HydrophobicContact CE2-CB 3.77Å; Y349-F430 AromaticContact CE2-CD1 4Å; Y349-F430 HydrophobicContact CE2-CD1 4Å; Y349-F430 HydrophobicContact CE2-CG 4.4Å; Y349-K432 WeakPolarHBondContact OH-CE 3.33Å; Y349-K432 VanDerWaalsContact OH-CG 3.27Å; Y349-K432 WeakPolarHBondContact OH-CG 3.41Å
350	A	98	Very high	96.8	Very high	18 Å²	18	49.7 Å²	49.7	15%	0.149	25%	0.247	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-130.2	118.5	175.2	0	0	0	0	0	109.1	Y343 V425 V426	Y343-A350 PolarHBondContact N-O 2.91Å; Y343-A350 PolarHBondContact O-N 3.45Å; A350-V425 HydrophobicContact CB-CG1 4.47Å; A350-V426 WeakPolarHBondContact CA-O 3.38Å
351	L	97.9	Very high	96.8	Very high	3 Å²	3	51.4 Å²	51.4	2%	0.016	26%	0.259	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-94.8	124.3	171.9	175.3	73.8	0	0	0	108.4	V236 I242 M353 I372 V425 V426	V236-L351 HydrophobicContact CG2-CD1 4.27Å; V236-L351 HydrophobicContact CG2-CD2 3.73Å; I242-L351 HydrophobicContact CD1-CD1 3.62Å; L351-M353 HydrophobicContact CD1-CG 3.84Å; L351-M353 HydrophobicContact CD1-SD 3.81Å; L351-M353 HydrophobicContact CD2-SD 4.31Å; L351-M353 HydrophobicContact CG-CG 4.07Å; L351-M353 HydrophobicContact CG-SD 4.29Å; L351-I372 HydrophobicContact CD2-CG2 3.87Å; L351-V425 CarbonylContact O-C 3.58Å; L351-V425 VanDerWaalsContact O-CA 3.26Å; L351-V425 WeakPolarHBondContact O-CA 3.28Å; L351-V426 HydrophobicContact CB-CB 4.41Å; L351-V426 PolarHBondContact N-O 2.98Å; L351-V426 PolarHBondContact O-N 2.83Å
352	K	97.8	Very high	96.8	Very high	92 Å²	92	51.7 Å²	51.7	40%	0.4	26%	0.262	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-118	117.3	173	177.5	175.4	174.8	-175.2	0	109.1	Y341 Y343 D423 I424 V425	Y341-K352 WeakPolarHBondContact CD1-O 3.48Å; Y341-K352 PolarHBondContact O-N 3.25Å; Y343-K352 HydrophobicContact CE2-CB 4.31Å; K352-D423 HydrophobicContact CD-CB 4.44Å; K352-D423 WeakPolarHBondContact CE-OD2 3.21Å; K352-D423 HydrophobicContact CG-CB 3.95Å; K352-D423 IonicContact NZ-OD2 3.75Å; K352-D423 PolarHBondContact NZ-OD2 3.3Å; K352-I424 WeakPolarHBondContact CA-O 3.32Å; K352-V425 HydrophobicContact CB-CG2 4.16Å; K352-V425 HydrophobicContact CD-CG2 4.32Å; K352-V425 HydrophobicContact CG-CG2 3.99Å
353	M	97	Very high	96.8	Very high	6 Å²	6	50.6 Å²	50.6	3%	0.03	26%	0.256	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-148.1	157.7	-179.5	-68.3	-169.9	76.5	0	0	111.6	I234 I242 V244 L336 Y341 L351 F355 D423 I424	I234-M353 HydrophobicContact CD1-SD 4.32Å; I234-M353 HydrophobicContact CG2-CE 4.29Å; I234-M353 HydrophobicContact CG2-SD 3.6Å; I242-M353 HydrophobicContact CD1-SD 4.4Å; I242-M353 HydrophobicContact CG2-CE 4.26Å; I242-M353 HydrophobicContact CG2-SD 3.89Å; V244-M353 HydrophobicContact CG2-CE 3.77Å; L336-M353 HydrophobicContact CD1-CE 3.64Å; Y341-M353 HydrophobicContact CD1-CG 3.96Å; Y341-M353 HydrophobicContact CG-CG 4.2Å; L351-M353 HydrophobicContact CD1-CG 3.84Å; L351-M353 HydrophobicContact CD1-SD 3.81Å; L351-M353 HydrophobicContact CD2-SD 4.31Å; L351-M353 HydrophobicContact CG-CG 4.07Å; L351-M353 HydrophobicContact CG-SD 4.29Å; M353-F355 PolarHBondContact O-N 2.9Å; M353-D423 CarbonylContact O-C 3.55Å; M353-D423 WeakPolarHBondContact O-CA 3.34Å; M353-I424 PolarHBondContact N-O 2.85Å; M353-I424 VanDerWaalsContact O-CG2 3.23Å; M353-I424 WeakPolarHBondContact O-CG2 3.42Å; M353-I424 PolarHBondContact O-N 2.69Å
354	R	97.4	Very high	96.8	Very high	97 Å²	97	44.2 Å²	44.2	37%	0.366	23%	0.231	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-60.4	129	172.6	-69.3	175.1	177.7	171.9	0.8	111.1	D357 I421 Q422 D423	R354-D357 WeakPolarHBondContact CD-OD1 3.16Å; R354-D357 IonicContact CZ-OD1 3.59Å; R354-D357 IonicContact NE-OD1 3.9Å; R354-D357 IonicContact NH1-OD1 3.64Å; R354-D357 PolarHBondContact NH1-OD1 3.43Å; R354-I421 HydrophobicContact CG-CG2 4.18Å; R354-Q422 WeakPolarHBondContact CA-O 3.47Å; R354-D423 WeakPolarHBondContact CG-OD1 3.48Å; R354-D423 PolarHBondContact N-OD1 2.9Å
355	F	97.4	Very high	97	Very high	1 Å²	1	39.7 Å²	39.7	0%	0.004	21%	0.207	C	C	.	.	S	Bend	trans	-67	-44.4	177	-176.3	-96.2	0	0	0	111.7	M353 L368 V370 Y387 I389 A411 K413 L416 Q422 I424	M353-F355 PolarHBondContact O-N 2.9Å; F355-L368 HydrophobicContact CD1-CD2 3.84Å; F355-L368 HydrophobicContact CE1-CD2 3.63Å; F355-V370 HydrophobicContact CD1-CG2 4.12Å; F355-V370 HydrophobicContact CD2-CB 4.47Å; F355-V370 HydrophobicContact CD2-CG2 4.02Å; F355-V370 HydrophobicContact CE1-CG2 3.84Å; F355-V370 HydrophobicContact CE2-CB 3.97Å; F355-V370 HydrophobicContact CE2-CG1 4.44Å; F355-V370 HydrophobicContact CE2-CG2 3.69Å; F355-V370 HydrophobicContact CG-CG2 4.24Å; F355-V370 HydrophobicContact CZ-CB 4.19Å; F355-V370 HydrophobicContact CZ-CG2 3.6Å; F355-V370 WeakPolarHBondContact O-CG2 3.48Å; F355-Y387 HydrophobicContact CD1-CE2 4.26Å; F355-Y387 WeakPolarHBondContact CD1-OH 3.41Å; F355-Y387 HydrophobicContact CE1-CE2 4.41Å; F355-I389 HydrophobicContact CE1-CG2 4.24Å; F355-I389 HydrophobicContact CE2-CD1 3.97Å; F355-I389 HydrophobicContact CE2-CG2 4.17Å; F355-I389 HydrophobicContact CZ-CB 4.46Å; F355-I389 HydrophobicContact CZ-CD1 4.47Å; F355-I389 HydrophobicContact CZ-CG2 3.82Å; F355-A411 HydrophobicContact CE2-CB 3.83Å; F355-A411 HydrophobicContact CZ-CB 4.02Å; F355-K413 HydrophobicContact CE1-CB 4.03Å; F355-K413 HydrophobicContact CZ-CB 4.38Å; F355-L416 HydrophobicContact CE1-CD1 4.46Å; F355-Q422 PolarHBondContact N-O 2.88Å; F355-I424 HydrophobicContact CB-CB 4.32Å; F355-I424 HydrophobicContact CB-CG2 4.11Å; F355-I424 HydrophobicContact CD2-CB 4.24Å; F355-I424 HydrophobicContact CD2-CD1 3.73Å; F355-I424 HydrophobicContact CD2-CG2 4.15Å; F355-I424 HydrophobicContact CE2-CD1 4.1Å
356	V	97.4	Very high	97.1	Very high	0 Å²	0	35.6 Å²	35.6	0%	0	19%	0.186	C	C	.	.	S	Bend	trans	-128.9	142.1	170	63.9	0	0	0	0	107	M230 I365 L368 L416 H420 I421	M230-V356 HydrophobicContact CE-CG2 3.7Å; V356-I365 HydrophobicContact CG2-CD1 3.42Å; V356-I365 VanDerWaalsContact CG2-CD1 3.42Å; V356-L368 HydrophobicContact CB-CD2 3.79Å; V356-L368 HydrophobicContact CG2-CD2 4.04Å; V356-L416 HydrophobicContact CB-CD1 4.24Å; V356-L416 HydrophobicContact CG1-CD1 4.29Å; V356-L416 HydrophobicContact CG2-CD1 4.41Å; V356-H420 HydrophobicContact CG1-CB 4.18Å; V356-H420 WeakPolarHBondContact CG1-O 3.42Å; V356-I421 HydrophobicContact CG1-CG1 4.21Å
357	D	96.5	Very high	97.3	Very high	3 Å²	3	35.3 Å²	35.3	2%	0.016	18%	0.175	C	C	.	.			trans	-117.9	176.9	-178.4	-153.5	-1.9	0	0	0	110.4	R232 Y334 R354 V359 Q363	R232-D357 IonicContact CZ-OD2 2.71Å; R232-D357 IonicContact NH1-OD2 2.66Å; R232-D357 IonicContact NH2-OD2 2.72Å; R232-D357 PolarHBondContact NH2-OD2 3.38Å; R232-D357 VanDerWaalsContact NH2-OD2 3.13Å; Y334-D357 PolarHBondContact OH-OD2 3Å; R354-D357 WeakPolarHBondContact CD-OD1 3.16Å; R354-D357 IonicContact CZ-OD1 3.59Å; R354-D357 IonicContact NE-OD1 3.9Å; R354-D357 IonicContact NH1-OD1 3.64Å; R354-D357 PolarHBondContact NH1-OD1 3.43Å; D357-V359 PolarHBondContact O-N 3.23Å; D357-Q363 PolarHBondContact O-NE2 2.73Å; D357-Q363 PolarHBondContact O-OE1 2.87Å
358	H	98	Very high	97.4	Very high	17 Å²	17	30.9 Å²	30.9	8%	0.079	15%	0.152	C	C	.	.			trans	-77.3	113.7	-175.8	-178.5	-74.2	0	0	0	111.9	K281 T282 I283 F360 D361 I421	K281-H358 PolarHBondContact O-CE1 3.33Å; T282-H358 VanDerWaalsContact CG2-O 3.24Å; T282-H358 WeakPolarHBondContact CG2-O 3.09Å; I283-H358 HydrophobicContact CB-CB 4.18Å; I283-H358 PolarHBondContact N-ND1 3.01Å; H358-F360 VanDerWaalsContact CE1-C 3.47Å; H358-F360 VanDerWaalsContact CE1-CA 3.48Å; H358-F360 WeakPolarHBondContact CE1-CA 3.31Å; H358-D361 IonicContact CE1-OD1 3.94Å; H358-D361 PolarHBondContact NE2-N 3.4Å; H358-D361 IonicContact NE2-OD1 3.09Å; H358-D361 PolarHBondContact NE2-OD1 3.39Å; H358-I421 HydrophobicContact CB-CD1 4.11Å
359	V	97.3	Very high	97.5	Very high	4 Å²	4	26.2 Å²	26.2	2%	0.024	13%	0.132	C	C	.	.	S	Bend	trans	-94.7	-47.7	173.3	-170.6	0	0	0	0	111.3	I227 M230 K281 T282 Y330 D357 Q363	I227-V359 HydrophobicContact CD1-CB 3.92Å; I227-V359 HydrophobicContact CD1-CG1 3.95Å; I227-V359 HydrophobicContact CD1-CG2 3.91Å; M230-V359 HydrophobicContact CE-CG2 4.38Å; M230-V359 HydrophobicContact SD-CG2 3.84Å; K281-V359 CarbonylContact C-O 3.59Å; K281-V359 VanDerWaalsContact O-O 3.1Å; T282-V359 VanDerWaalsContact CA-O 3.25Å; T282-V359 WeakPolarHBondContact CA-O 3.38Å; T282-V359 WeakPolarHBondContact CB-O 3.29Å; T282-V359 PolarHBondContact OG1-O 3.19Å; Y330-V359 VanDerWaalsContact OH-CG1 3.28Å; Y330-V359 WeakPolarHBondContact OH-CG1 3.28Å; D357-V359 PolarHBondContact O-N 3.23Å; V359-Q363 VanDerWaalsContact CB-OE1 3.23Å
360	F	96.6	Very high	97.5	Very high	12 Å²	12	25.7 Å²	25.7	5%	0.053	13%	0.13	C	C	.	.	S	Bend	trans	-159.2	157.9	173.9	60.4	-94.5	0	0	0	111	L225 I227 L250 F280 K281 H358 E362 Q363	L225-F360 HydrophobicContact CB-CE1 4.21Å; L225-F360 HydrophobicContact CB-CE2 3.73Å; L225-F360 HydrophobicContact CB-CZ 3.52Å; L225-F360 HydrophobicContact CD1-CD1 4.47Å; L225-F360 HydrophobicContact CD1-CD2 4.4Å; L225-F360 HydrophobicContact CD1-CE1 4.37Å; L225-F360 HydrophobicContact CD1-CE2 4.3Å; L225-F360 HydrophobicContact CD1-CZ 4.31Å; I227-F360 HydrophobicContact CD1-CD1 4.42Å; I227-F360 HydrophobicContact CD1-CE1 3.72Å; I227-F360 HydrophobicContact CD1-CZ 4.5Å; I227-F360 HydrophobicContact CG1-CE1 3.72Å; I227-F360 HydrophobicContact CG1-CZ 4.3Å; L250-F360 HydrophobicContact CD1-CE1 3.69Å; L250-F360 HydrophobicContact CD1-CZ 4.23Å; F280-F360 HydrophobicContact CB-CB 4.04Å; F280-F360 HydrophobicContact CD2-CB 4.23Å; F280-F360 HydrophobicContact CG-CB 4.42Å; K281-F360 WeakPolarHBondContact O-CA 3.46Å; H358-F360 VanDerWaalsContact CE1-C 3.47Å; H358-F360 VanDerWaalsContact CE1-CA 3.48Å; H358-F360 WeakPolarHBondContact CE1-CA 3.31Å; F360-E362 PolarHBondContact O-N 3.48Å; F360-Q363 HydrophobicContact CD1-CB 4.45Å; F360-Q363 HydrophobicContact CD2-CB 4.2Å; F360-Q363 HydrophobicContact CE1-CB 4.24Å; F360-Q363 VanDerWaalsContact CE2-CA 3.48Å; F360-Q363 HydrophobicContact CE2-CB 3.98Å; F360-Q363 HydrophobicContact CG-CB 4.42Å; F360-Q363 HydrophobicContact CZ-CB 3.98Å; F360-Q363 WeakPolarHBondContact O-CB 3.31Å; F360-Q363 PolarHBondContact O-N 2.86Å; F360-Q363 VanDerWaalsContact O-N 3.16Å
361	D	96	Very high	97.6	Very high	110 Å²	110	27.4 Å²	27.4	59%	0.588	13%	0.134	S	C	*	.	T	Hydrogen-bonded Turn	trans	-54.4	131.9	-179.3	-53.5	3.8	0	0	0	111.7	H358 Q363	H358-D361 IonicContact CE1-OD1 3.94Å; H358-D361 PolarHBondContact NE2-N 3.4Å; H358-D361 IonicContact NE2-OD1 3.09Å; H358-D361 PolarHBondContact NE2-OD1 3.39Å; D361-Q363 VanDerWaalsContact C-N 3.31Å; D361-Q363 PolarHBondContact O-N 2.93Å
362	E	95.1	Very high	97.6	Very high	52 Å²	52	27.5 Å²	27.5	24%	0.243	13%	0.134	C	C	.	.	T	Hydrogen-bonded Turn	trans	57.8	39.5	-177.8	-55	-177.3	117.2	0	0	113.7	S44 H45 L46 K48 F360 E418	S44-E362 VanDerWaalsContact CB-OE1 3.3Å; S44-E362 WeakPolarHBondContact CB-OE1 3.17Å; S44-E362 WeakPolarHBondContact CB-OE2 3.44Å; S44-E362 PolarHBondContact OG-OE1 3.1Å; S44-E362 PolarHBondContact OG-OE2 3.43Å; H45-E362 PolarHBondContact CE1-O 3.07Å; H45-E362 PolarHBondContact NE2-O 3.17Å; L46-E362 HydrophobicContact CD1-CB 4.13Å; K48-E362 WeakPolarHBondContact CE-OE1 3.38Å; K48-E362 IonicContact NZ-OE1 3.25Å; K48-E362 PolarHBondContact NZ-OE1 3.34Å; F360-E362 PolarHBondContact O-N 3.48Å; E362-E418 PolarHBondContact N-OE2 2.99Å
363	Q	97.3	Very high	97.6	Very high	0 Å²	0	23.3 Å²	23.3	0%	0	12%	0.117	C	C	.	.			trans	-58.1	148.2	178.4	63.8	-176.1	22.9	0	0	114.1	D357 V359 F360 D361 V417	D357-Q363 PolarHBondContact O-NE2 2.73Å; D357-Q363 PolarHBondContact O-OE1 2.87Å; V359-Q363 VanDerWaalsContact CB-OE1 3.23Å; F360-Q363 HydrophobicContact CD1-CB 4.45Å; F360-Q363 HydrophobicContact CD2-CB 4.2Å; F360-Q363 HydrophobicContact CE1-CB 4.24Å; F360-Q363 VanDerWaalsContact CE2-CA 3.48Å; F360-Q363 HydrophobicContact CE2-CB 3.98Å; F360-Q363 HydrophobicContact CG-CB 4.42Å; F360-Q363 HydrophobicContact CZ-CB 3.98Å; F360-Q363 WeakPolarHBondContact O-CB 3.31Å; F360-Q363 PolarHBondContact O-N 2.86Å; F360-Q363 VanDerWaalsContact O-N 3.16Å; D361-Q363 VanDerWaalsContact C-N 3.31Å; D361-Q363 PolarHBondContact O-N 2.93Å; Q363-V417 WeakPolarHBondContact O-CA 3.35Å
364	V	98	Very high	97.7	Very high	0 Å²	0	23 Å²	23	0%	0	12%	0.115	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-129	130.2	166.5	64	0	0	0	0	109.7	H45 L46 T136 L225 T226 I227 L416	H45-V364 WeakPolarHBondContact CE1-CG1 3.06Å; L46-V364 HydrophobicContact CD2-CB 4.38Å; T136-V364 HydrophobicContact CG2-CB 4.4Å; T136-V364 HydrophobicContact CG2-CG2 3.53Å; L225-V364 VanDerWaalsContact O-CG1 3.28Å; L225-V364 WeakPolarHBondContact O-CG1 3.37Å; T226-V364 HydrophobicContact CG2-CG1 4.04Å; I227-V364 WeakPolarHBondContact CB-O 3.45Å; I227-V364 PolarHBondContact N-O 3.25Å; V364-L416 WeakPolarHBondContact CA-O 3.47Å
365	I	98.5	Very high	97.6	Very high	1 Å²	1	18.8 Å²	18.8	1%	0.005	10%	0.1	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-120.7	116.4	177.6	-56.7	155.1	0	0	0	109	I227 M230 V356 S367 L368 N415 L416	I227-I365 HydrophobicContact CB-CB 4.37Å; I227-I365 HydrophobicContact CB-CG1 3.92Å; I227-I365 HydrophobicContact CB-CG2 4.48Å; I227-I365 HydrophobicContact CD1-CG1 3.82Å; I227-I365 HydrophobicContact CG1-CG1 4.37Å; I227-I365 HydrophobicContact CG2-CG1 4.22Å; I227-I365 HydrophobicContact CG2-CG2 4.22Å; I227-I365 WeakPolarHBondContact O-CA 3.48Å; M230-I365 HydrophobicContact CB-CG2 4.28Å; M230-I365 HydrophobicContact CE-CD1 3.87Å; V356-I365 HydrophobicContact CG2-CD1 3.42Å; V356-I365 VanDerWaalsContact CG2-CD1 3.42Å; I365-S367 WeakPolarHBondContact CG2-O 3.36Å; I365-L368 HydrophobicContact CG2-CB 4.09Å; I365-N415 CarbonylContact O-C 3.59Å; I365-N415 VanDerWaalsContact O-CA 3.27Å; I365-N415 WeakPolarHBondContact O-CA 3.37Å; I365-N415 PolarHBondContact O-N 3.21Å; I365-L416 HydrophobicContact CB-CB 4.18Å; I365-L416 HydrophobicContact CD1-CB 4.31Å; I365-L416 PolarHBondContact N-O 2.87Å; I365-L416 PolarHBondContact O-N 3.31Å
366	D	98.4	Very high	97.5	Very high	49 Å²	49	18.9 Å²	18.9	26%	0.262	10%	0.101	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-70.5	-43	178.6	-73.6	-15.1	0	0	0	111.2	H137 T226 I227 T228 K414 N415	H137-D366 IonicContact CD2-OD1 3.58Å; H137-D366 IonicContact CE1-OD1 2.8Å; H137-D366 IonicContact NE2-OD1 3.69Å; H137-D366 PolarHBondContact NE2-OD1 3.27Å; H137-D366 IonicContact NE2-OD2 2.82Å; T226-D366 WeakPolarHBondContact CG2-OD2 3.14Å; I227-D366 PolarHBondContact O-N 2.92Å; T228-D366 WeakPolarHBondContact O-CB 3.42Å; D366-K414 VanDerWaalsContact O-CA 3.29Å; D366-K414 WeakPolarHBondContact O-CA 3.44Å; D366-K414 VanDerWaalsContact O-CB 3.31Å; D366-K414 WeakPolarHBondContact O-CB 3.33Å; D366-N415 PolarHBondContact O-N 3.22Å
367	S	98.4	Very high	97.3	Very high	46 Å²	46	19.4 Å²	19.4	32%	0.322	11%	0.106	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-141.9	122.3	179.1	-62.1	0	0	0	0	111.5	T228 S229 M230 I365	T228-S367 PolarHBondContact O-N 3.38Å; S229-S367 CarbonylContact C-O 3.51Å; S229-S367 WeakPolarHBondContact CA-O 3.31Å; M230-S367 PolarHBondContact N-O 3.32Å; I365-S367 WeakPolarHBondContact CG2-O 3.36Å
368	L	98.6	Very high	97.3	Very high	2 Å²	2	19.9 Å²	19.9	1%	0.01	11%	0.11	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-112.7	133.8	173.1	-177.3	67.2	0	0	0	110	M230 F355 V356 I365 V370 Y412 K413 L416	M230-L368 HydrophobicContact CB-CD1 3.75Å; M230-L368 HydrophobicContact CE-CD1 3.37Å; M230-L368 HydrophobicContact CG-CD1 3.84Å; M230-L368 WeakPolarHBondContact O-CA 3.25Å; M230-L368 HydrophobicContact SD-CD1 4.41Å; F355-L368 HydrophobicContact CD1-CD2 3.84Å; F355-L368 HydrophobicContact CE1-CD2 3.63Å; V356-L368 HydrophobicContact CB-CD2 3.79Å; V356-L368 HydrophobicContact CG2-CD2 4.04Å; I365-L368 HydrophobicContact CG2-CB 4.09Å; L368-V370 HydrophobicContact CD1-CG2 4.5Å; L368-V370 HydrophobicContact CD2-CG2 3.73Å; L368-V370 HydrophobicContact CG-CG2 3.91Å; L368-Y412 WeakPolarHBondContact O-CA 3.44Å; L368-K413 PolarHBondContact N-O 3.37Å; L368-K413 PolarHBondContact O-N 3.45Å; L368-L416 HydrophobicContact CB-CD1 3.79Å; L368-L416 HydrophobicContact CD2-CD1 3.34Å; L368-L416 HydrophobicContact CG-CD1 4.19Å
369	T	98.4	Very high	97.2	Very high	25 Å²	25	25.6 Å²	25.6	15%	0.153	14%	0.135	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-117.8	120.4	166.1	-53.8	0	0	0	0	108.7	M230 T231 R232 K371 V410 A411 Y412	M230-T369 PolarHBondContact O-N 2.82Å; T231-T369 CarbonylContact C-O 3.54Å; T231-T369 WeakPolarHBondContact CA-O 3.35Å; R232-T369 PolarHBondContact N-O 2.86Å; T369-K371 HydrophobicContact CG2-CG 4.26Å; T369-V410 HydrophobicContact CG2-CG1 4.04Å; T369-A411 WeakPolarHBondContact CA-O 3.48Å; T369-Y412 HydrophobicContact CG2-CD1 3.86Å; T369-Y412 HydrophobicContact CG2-CE1 3.42Å; T369-Y412 VanDerWaalsContact CG2-CE1 3.42Å; T369-Y412 VanDerWaalsContact OG1-CD1 3.32Å; T369-Y412 WeakPolarHBondContact OG1-CD1 3.44Å; T369-Y412 VanDerWaalsContact OG1-CE1 3.28Å; T369-Y412 WeakPolarHBondContact OG1-CE1 3.19Å
370	V	98.5	Very high	97.1	Very high	1 Å²	1	31 Å²	31	1%	0.006	16%	0.164	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-104.4	125.8	173.8	-177.6	0	0	0	0	108.3	R232 F355 L368 I372 V410 A411	R232-V370 WeakPolarHBondContact O-CA 3.38Å; F355-V370 HydrophobicContact CD1-CG2 4.12Å; F355-V370 HydrophobicContact CD2-CB 4.47Å; F355-V370 HydrophobicContact CD2-CG2 4.02Å; F355-V370 HydrophobicContact CE1-CG2 3.84Å; F355-V370 HydrophobicContact CE2-CB 3.97Å; F355-V370 HydrophobicContact CE2-CG1 4.44Å; F355-V370 HydrophobicContact CE2-CG2 3.69Å; F355-V370 HydrophobicContact CG-CG2 4.24Å; F355-V370 HydrophobicContact CZ-CB 4.19Å; F355-V370 HydrophobicContact CZ-CG2 3.6Å; F355-V370 WeakPolarHBondContact O-CG2 3.48Å; L368-V370 HydrophobicContact CD1-CG2 4.5Å; L368-V370 HydrophobicContact CD2-CG2 3.73Å; L368-V370 HydrophobicContact CG-CG2 3.91Å; V370-I372 HydrophobicContact CG1-CG1 4.07Å; V370-V410 WeakPolarHBondContact O-CA 3.28Å; V370-A411 PolarHBondContact N-O 3.47Å; V370-A411 PolarHBondContact O-N 2.71Å
371	K	98.5	Very high	97.1	Very high	55 Å²	55	32.1 Å²	32.1	24%	0.239	17%	0.169	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-117.1	115.9	174	-64.5	-161.6	174.3	-152.7	0	109.5	R232 V233 I234 T369 E395 V408 I409 V410	R232-K371 PolarHBondContact O-N 3.15Å; V233-K371 CarbonylContact C-O 3.59Å; V233-K371 WeakPolarHBondContact CA-O 3.33Å; V233-K371 HydrophobicContact CG2-CB 4.43Å; I234-K371 PolarHBondContact N-O 3.49Å; T369-K371 HydrophobicContact CG2-CG 4.26Å; K371-E395 IonicContact NZ-OE2 3.78Å; K371-E395 PolarHBondContact NZ-OE2 2.85Å; K371-V408 HydrophobicContact CB-CG1 3.94Å; K371-V408 HydrophobicContact CD-CG1 4.39Å; K371-V408 HydrophobicContact CG-CG1 4.41Å; K371-I409 CarbonylContact C-O 3.58Å; K371-I409 VanDerWaalsContact CA-O 3.3Å; K371-I409 WeakPolarHBondContact CA-O 3.41Å; K371-V410 HydrophobicContact CD-CG2 4.47Å; K371-V410 HydrophobicContact CG-CG1 4.47Å; K371-V410 HydrophobicContact CG-CG2 4.26Å
372	I	98.4	Very high	97.2	Very high	4 Å²	4	32.9 Å²	32.9	2%	0.021	17%	0.17	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-105.9	109	175.8	-53.6	175.5	0	0	0	108	I234 L351 V370 L374 V408 I409 V426	I234-I372 HydrophobicContact CD1-CG1 4.47Å; I234-I372 CarbonylContact O-C 3.52Å; I234-I372 WeakPolarHBondContact O-CA 3.44Å; L351-I372 HydrophobicContact CD2-CG2 3.87Å; V370-I372 HydrophobicContact CG1-CG1 4.07Å; I372-L374 HydrophobicContact CG2-CD2 3.98Å; I372-L374 HydrophobicContact CG2-CG 4.42Å; I372-V408 WeakPolarHBondContact O-CA 3.47Å; I372-I409 HydrophobicContact CB-CB 4.25Å; I372-I409 HydrophobicContact CB-CD1 4.45Å; I372-I409 PolarHBondContact N-O 3.35Å; I372-I409 PolarHBondContact O-N 3.44Å; I372-V426 HydrophobicContact CD1-CG2 3.71Å
373	I	98.3	Very high	97.3	Very high	5 Å²	5	31.9 Å²	31.9	3%	0.026	17%	0.166	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-91.8	105.1	179.7	-51.2	177.3	0	0	0	108.3	V233 I234 E235 V236 H397 R406 V408	V233-I373 HydrophobicContact CG1-CD1 3.64Å; V233-I373 HydrophobicContact CG1-CG1 4.23Å; I234-I373 PolarHBondContact O-N 3.01Å; E235-I373 HydrophobicContact CB-CB 4.37Å; E235-I373 HydrophobicContact CB-CD1 4.5Å; E235-I373 HydrophobicContact CG-CB 4.21Å; E235-I373 HydrophobicContact CG-CG2 4.26Å; V236-I373 PolarHBondContact N-O 2.98Å; I373-H397 HydrophobicContact CG2-CB 4.31Å; I373-R406 HydrophobicContact CG2-CB 3.93Å; I373-R406 PolarHBondContact O-NH2 3.29Å; I373-V408 HydrophobicContact CB-CG2 4.34Å; I373-V408 HydrophobicContact CG1-CG1 4.17Å; I373-V408 HydrophobicContact CG1-CG2 3.89Å; I373-V408 HydrophobicContact CG2-CG2 4.24Å
374	L	97.7	Very high	97.2	Very high	0 Å²	0	36.2 Å²	36.2	0%	0	19%	0.189	C	C	.	.	P	Polyproline II helix	trans	-85.4	159	177.4	-64.5	-178.9	0	0	0	110.7	V236 I372 A378 I381 R406 P407 I409 V426 Y428	V236-L374 HydrophobicContact CG2-CD2 4.3Å; I372-L374 HydrophobicContact CG2-CD2 3.98Å; I372-L374 HydrophobicContact CG2-CG 4.42Å; L374-A378 HydrophobicContact CB-CB 3.95Å; L374-A378 HydrophobicContact CD1-CB 4.25Å; L374-I381 HydrophobicContact CD1-CD1 3.89Å; L374-I381 HydrophobicContact CD1-CG1 3.99Å; L374-I381 HydrophobicContact CD1-CG2 4.08Å; L374-R406 VanDerWaalsContact O-CB 3.28Å; L374-R406 WeakPolarHBondContact O-CB 3.45Å; L374-R406 PolarHBondContact O-NE 3.3Å; L374-P407 HydrophobicContact CB-CG 4.19Å; L374-P407 PolarHBondContact N-O 2.85Å; L374-I409 HydrophobicContact CD1-CD1 4.07Å; L374-V426 HydrophobicContact CD1-CG1 4.17Å; L374-Y428 HydrophobicContact CD1-CD1 4.1Å; L374-Y428 HydrophobicContact CD1-CG 4.2Å; L374-Y428 HydrophobicContact CD2-CD1 4.1Å; L374-Y428 HydrophobicContact CD2-CE1 3.8Å
375	P	96.1	Very high	97.1	Very high	8 Å²	8	38.5 Å²	38.5	5%	0.052	21%	0.205	C	C	.	.	P	Polyproline II helix	trans	-62.9	156.8	176.6	27.1	-36.8	0	0	0	112.7	G377 A378 Y428 F430	P375-G377 PolarHBondContact O-N 2.8Å; P375-A378 WeakPolarHBondContact O-CB 3.44Å; P375-A378 PolarHBondContact O-N 2.94Å; P375-Y428 HydrophobicContact CG-CE2 4.35Å; P375-F430 HydrophobicContact CB-CE2 4.24Å; P375-F430 HydrophobicContact CG-CD2 4.17Å; P375-F430 HydrophobicContact CG-CE2 4.29Å
376	E	94.5	Very high	96.8	Very high	3 Å²	3	40.9 Å²	40.9	1%	0.014	22%	0.22	C	C	.	.	T	Hydrogen-bonded Turn	trans	-55	135	173.3	-71.3	-155.2	151.4	0	0	110.1	D402 T403 F404 G405 R406 F430 L434 Q437	E376-D402 VanDerWaalsContact OE1-C 3.3Å; E376-D402 WeakPolarHBondContact OE1-CA 3.38Å; E376-D402 WeakPolarHBondContact OE1-CB 3.42Å; E376-T403 PolarHBondContact OE1-N 3.3Å; E376-T403 PolarHBondContact OE2-N 2.82Å; E376-T403 PolarHBondContact OE2-OG1 2.93Å; E376-T403 VanDerWaalsContact OE2-OG1 3.13Å; E376-F404 HydrophobicContact CB-CE1 4.43Å; E376-F404 HydrophobicContact CB-CE2 3.97Å; E376-F404 HydrophobicContact CB-CZ 3.77Å; E376-F404 HydrophobicContact CG-CE2 4.47Å; E376-F404 PolarHBondContact OE1-N 3.14Å; E376-F404 VanDerWaalsContact OE1-N 3.11Å; E376-G405 WeakPolarHBondContact OE1-CA 3.28Å; E376-G405 PolarHBondContact OE1-N 3.05Å; E376-R406 HydrophobicContact CB-CG 4.42Å; E376-R406 HydrophobicContact CG-CG 3.5Å; E376-F430 WeakPolarHBondContact O-CE2 3.4Å; E376-L434 WeakPolarHBondContact O-CD2 3.43Å; E376-Q437 PolarHBondContact OE2-NE2 3.04Å
377	G	94.1	Very high	96.5	Very high	11 Å²	11	40.5 Å²	40.5	11%	0.113	22%	0.216	C	C	.	.	T	Hydrogen-bonded Turn	trans	84.9	5.8	178.9	0	0	0	0	0	115.4	P375 K379	P375-G377 PolarHBondContact O-N 2.8Å; G377-K379 PolarHBondContact O-N 3.23Å
378	A	96.5	Very high	96.3	Very high	12 Å²	12	46.7 Å²	46.7	10%	0.099	24%	0.239	C	C	.	.			trans	-61.1	128	163.1	0	0	0	0	0	110.7	L374 P375 P407 Y428	L374-A378 HydrophobicContact CB-CB 3.95Å; L374-A378 HydrophobicContact CD1-CB 4.25Å; P375-A378 WeakPolarHBondContact O-CB 3.44Å; P375-A378 PolarHBondContact O-N 2.94Å; A378-P407 HydrophobicContact CB-CG 4.03Å; A378-Y428 HydrophobicContact CB-CD2 3.85Å; A378-Y428 HydrophobicContact CB-CE2 4.49Å; A378-Y428 HydrophobicContact CB-CG 4.38Å
379	K	95.1	Very high	96.1	Very high	138 Å²	138	48 Å²	48	60%	0.6	25%	0.246	S	C	*	.	E	Extended strand (participates in β ladder)	trans	-130.6	159.8	-177.2	-67.7	175.5	179.9	178.5	0	110.9	G377 T429	G377-K379 PolarHBondContact O-N 3.23Å; K379-T429 PolarHBondContact N-O 2.59Å; K379-T429 PolarHBondContact O-N 3.13Å; K379-T429 PolarHBondContact O-OG1 2.74Å
380	N	96.2	Very high	96	Very high	118 Å²	118	50.7 Å²	50.7	63%	0.631	27%	0.266	S	S	*	.	E	Extended strand (participates in β ladder)	trans	54.2	57.5	178	-49.5	-46.5	0	0	0	111.5	E382 T429	N380-E382 PolarHBondContact O-N 2.91Å; N380-T429 PolarHBondContact ND2-OG1 3.01Å
381	I	97.3	Very high	95.8	Very high	34 Å²	34	56.4 Å²	56.4	17%	0.174	29%	0.287	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-81.8	114.4	-174.3	-58.6	166.9	0	0	0	109.2	L374 P407 I409 V426 H427	L374-I381 HydrophobicContact CD1-CD1 3.89Å; L374-I381 HydrophobicContact CD1-CG1 3.99Å; L374-I381 HydrophobicContact CD1-CG2 4.08Å; I381-P407 HydrophobicContact CD1-CB 3.96Å; I381-P407 HydrophobicContact CD1-CG 4.06Å; I381-I409 HydrophobicContact CG2-CD1 3.5Å; I381-I409 VanDerWaalsContact CG2-CD1 3.5Å; I381-I409 HydrophobicContact CG2-CG1 3.98Å; I381-V426 HydrophobicContact CG2-CG1 4.08Å; I381-H427 CarbonylContact C-O 3.57Å; I381-H427 WeakPolarHBondContact CA-O 3.23Å
382	E	96.8	Very high	95.7	Very high	126 Å²	126	54.8 Å²	54.8	59%	0.589	28%	0.284	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-118.4	145.3	177.2	-64.7	175	-172.4	0	0	109.4	N380 V426 H427	N380-E382 PolarHBondContact O-N 2.91Å; E382-V426 CarbonylContact O-C 3.58Å; E382-V426 WeakPolarHBondContact O-CA 3.26Å; E382-H427 HydrophobicContact CB-CB 4.25Å; E382-H427 PolarHBondContact N-O 2.84Å; E382-H427 PolarHBondContact O-N 2.81Å
383	I	96.6	Very high	95.6	Very high	31 Å²	31	60 Å²	60	16%	0.159	32%	0.318	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-133.5	121.3	-172.6	-54.6	167.7	0	0	0	108.9	R391 I409 I424 V425 V426	I383-R391 VanDerWaalsContact CD1-CZ 3.49Å; I383-I409 HydrophobicContact CD1-CB 4.32Å; I383-I409 HydrophobicContact CD1-CD1 3.89Å; I383-I409 HydrophobicContact CD1-CG1 4.15Å; I383-I409 HydrophobicContact CD1-CG2 3.27Å; I383-I409 HydrophobicContact CG1-CD1 4.04Å; I383-I409 HydrophobicContact CG1-CG2 4.42Å; I383-I424 HydrophobicContact CG2-CD1 3.62Å; I383-I424 HydrophobicContact CG2-CG1 3.88Å; I383-V425 WeakPolarHBondContact CA-O 3.32Å; I383-V426 HydrophobicContact CG1-CG2 4.38Å; I383-V426 HydrophobicContact CG2-CG2 4.45Å
384	D	96.4	Very high	95.5	Very high	92 Å²	92	63.3 Å²	63.3	49%	0.492	34%	0.336	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-102.4	110.2	173.2	-65	-22	0	0	0	108.4	V425 H427	D384-V425 HydrophobicContact CB-CB 4.33Å; D384-V425 PolarHBondContact N-O 3.46Å; D384-V425 PolarHBondContact O-N 3.25Å; D384-H427 IonicContact OD2-CD2 3.08Å; D384-H427 IonicContact OD2-NE2 3.05Å
385	S	95.6	Very high	95.4	Very high	48 Å²	48	67.2 Å²	67.2	34%	0.336	35%	0.354	S	S	.	.			trans	-100.9	134.8	-177.5	-53.3	0	0	0	0	110.3	Y387 I389	S385-Y387 VanDerWaalsContact C-N 3.26Å; S385-Y387 WeakPolarHBondContact CB-O 3.38Å; S385-Y387 PolarHBondContact O-N 3.39Å; S385-I389 WeakPolarHBondContact OG-CD1 3.33Å
386	P	92.3	Very high	95.5	Very high	51 Å²	51	71.8 Å²	71.8	33%	0.331	38%	0.378	S	S	.	.	S	Bend	trans	-68.2	-25.1	-178	23.5	-31.8	0	0	0	113.6	Q422 D423	P386-Q422 HydrophobicContact CB-CB 3.78Å; P386-Q422 VanDerWaalsContact CB-OE1 3.24Å; P386-Q422 HydrophobicContact CG-CB 3.7Å; P386-D423 WeakPolarHBondContact CD-O 3.46Å; P386-D423 WeakPolarHBondContact CG-O 2.77Å
387	Y	92.4	Very high	95.6	Very high	41 Å²	41	75 Å²	75	16%	0.161	39%	0.393	C	S	.	.	S	Bend	trans	-146.3	170.7	177.6	45.6	-106	0	0	0	109.9	F355 S385 I389 K413 H420 Q422	F355-Y387 HydrophobicContact CD1-CE2 4.26Å; F355-Y387 WeakPolarHBondContact CD1-OH 3.41Å; F355-Y387 HydrophobicContact CE1-CE2 4.41Å; S385-Y387 VanDerWaalsContact C-N 3.26Å; S385-Y387 WeakPolarHBondContact CB-O 3.38Å; S385-Y387 PolarHBondContact O-N 3.39Å; Y387-I389 HydrophobicContact CD2-CG2 3.84Å; Y387-I389 HydrophobicContact CE2-CG2 3.73Å; Y387-I389 PolarHBondContact O-N 3.39Å; Y387-K413 HydrophobicContact CE2-CG 4.45Å; Y387-H420 HydrophobicContact CE1-CB 4.1Å; Y387-H420 WeakPolarHBondContact CE1-O 3.49Å; Y387-H420 PolarHBondContact OH-O 2.83Å; Y387-H420 VanDerWaalsContact OH-O 3.11Å; Y387-Q422 HydrophobicContact CE1-CB 4.15Å; Y387-Q422 HydrophobicContact CE1-CG 4.37Å
388	E	93.2	Very high	95.7	Very high	175 Å²	175	81.5 Å²	81.5	82%	0.818	42%	0.415	S	S	*	.			trans	-62.5	123.3	-179	-171	179.5	175	0	0	111.8	K413	E388-K413 WeakPolarHBondContact O-CD 2.85Å; E388-K413 WeakPolarHBondContact O-CE 3.41Å
389	I	95.3	Very high	95.6	Very high	31 Å²	31	83.2 Å²	83.2	16%	0.159	42%	0.424	C	S	.	.			trans	-126.4	147.7	176.8	61.2	174.4	0	0	0	110.6	F355 S385 Y387 R391 A411 K413 I424	F355-I389 HydrophobicContact CE1-CG2 4.24Å; F355-I389 HydrophobicContact CE2-CD1 3.97Å; F355-I389 HydrophobicContact CE2-CG2 4.17Å; F355-I389 HydrophobicContact CZ-CB 4.46Å; F355-I389 HydrophobicContact CZ-CD1 4.47Å; F355-I389 HydrophobicContact CZ-CG2 3.82Å; S385-I389 WeakPolarHBondContact OG-CD1 3.33Å; Y387-I389 HydrophobicContact CD2-CG2 3.84Å; Y387-I389 HydrophobicContact CE2-CG2 3.73Å; Y387-I389 PolarHBondContact O-N 3.39Å; I389-R391 PolarHBondContact O-N 2.77Å; I389-A411 HydrophobicContact CD1-CB 3.86Å; I389-K413 HydrophobicContact CG2-CD 4.48Å; I389-I424 HydrophobicContact CD1-CD1 4.26Å
390	S	96.5	Very high	95.5	Very high	81 Å²	81	86.5 Å²	86.5	57%	0.566	43%	0.434	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-87.6	98.6	176.5	-61.7	0	0	0	0	110	Y412	S390-Y412 WeakPolarHBondContact CB-O 3.2Å; S390-Y412 PolarHBondContact N-O 3.3Å; S390-Y412 PolarHBondContact O-N 3.2Å
391	R	94.8	Very high	95.4	Very high	121 Å²	121	84.2 Å²	84.2	46%	0.457	42%	0.421	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-78.8	129.8	178.3	-175.6	174.4	176.9	-176	1.4	111.3	I383 I389 D394	I383-R391 VanDerWaalsContact CD1-CZ 3.49Å; I389-R391 PolarHBondContact O-N 2.77Å; R391-D394 IonicContact CZ-OD1 3.02Å; R391-D394 IonicContact NE-OD1 2.74Å; R391-D394 PolarHBondContact NE-OD1 2.94Å; R391-D394 VanDerWaalsContact NH2-CG 3.35Å; R391-D394 IonicContact NH2-OD1 4Å; R391-D394 PolarHBondContact NH2-OD1 3.25Å; R391-D394 IonicContact NH2-OD2 3.22Å; R391-D394 PolarHBondContact NH2-OD2 2.82Å
392	A	95.5	Very high	95.2	Very high	20 Å²	20	83.9 Å²	83.9	17%	0.165	42%	0.42	C	S	.	.	P	Polyproline II helix	trans	-89.2	166.9	169.5	0	0	0	0	0	111.6	V410 Y412	A392-V410 HydrophobicContact CB-CB 4.13Å; A392-V410 HydrophobicContact CB-CG1 4.26Å; A392-V410 PolarHBondContact N-O 3.14Å; A392-Y412 HydrophobicContact CB-CD2 4.05Å; A392-Y412 HydrophobicContact CB-CE2 3.5Å
393	P	96.9	Very high	95	Very high	114 Å²	114	81.4 Å²	81.4	74%	0.74	41%	0.414	S	S	*	.	P	Polyproline II helix	trans	-55.1	141.5	167.6	-21.2	33.1	0	0	0	110.8
394	D	96	Very high	94.8	Very high	75 Å²	75	84.5 Å²	84.5	40%	0.401	43%	0.426	S	S	.	.	P	Polyproline II helix	trans	-65.8	142	177.7	-59.8	-12.4	0	0	0	110.2	R391 V408	R391-D394 IonicContact CZ-OD1 3.02Å; R391-D394 IonicContact NE-OD1 2.74Å; R391-D394 PolarHBondContact NE-OD1 2.94Å; R391-D394 VanDerWaalsContact NH2-CG 3.35Å; R391-D394 IonicContact NH2-OD1 4Å; R391-D394 PolarHBondContact NH2-OD1 3.25Å; R391-D394 IonicContact NH2-OD2 3.22Å; R391-D394 PolarHBondContact NH2-OD2 2.82Å; D394-V408 WeakPolarHBondContact CA-O 3.45Å
395	E	96.3	Very high	94.8	Very high	81 Å²	81	80.2 Å²	80.2	38%	0.379	40%	0.403	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-107.8	172.3	-179.1	-62.8	174.2	177.6	0	0	110.5	K371 V408 V410	K371-E395 IonicContact NZ-OE2 3.78Å; K371-E395 PolarHBondContact NZ-OE2 2.85Å; E395-V408 HydrophobicContact CB-CB 4.28Å; E395-V408 PolarHBondContact N-O 3.08Å; E395-V408 PolarHBondContact O-N 3.01Å; E395-V410 HydrophobicContact CG-CG2 4.12Å
396	L	97.1	Very high	94.8	Very high	104 Å²	104	78.7 Å²	78.7	55%	0.545	39%	0.39	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-112.7	136.9	167.4	-67.6	177.8	0	0	0	110.1	Y398 R406	L396-Y398 HydrophobicContact CB-CE2 4.22Å; L396-R406 WeakPolarHBondContact CA-O 3.27Å
397	H	97	Very high	95.1	Very high	71 Å²	71	77.3 Å²	77.3	33%	0.329	38%	0.381	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-116.9	140.5	174	-177.4	-96.4	0	0	0	110.2	I373 R406 V408	I373-H397 HydrophobicContact CG2-CB 4.31Å; H397-R406 PolarHBondContact N-O 3.09Å; H397-R406 PolarHBondContact O-N 2.88Å; H397-V408 HydrophobicContact CB-CG2 3.41Å; H397-V408 VanDerWaalsContact CB-CG2 3.41Å
398	Y	96.6	Very high	95.4	Very high	147 Å²	147	75.6 Å²	75.6	58%	0.576	38%	0.375	S	S	*	.			trans	-120.1	114.9	179.2	-66	-88.6	0	0	0	109	L396 D402 G405	L396-Y398 HydrophobicContact CB-CE2 4.22Å; Y398-D402 WeakPolarHBondContact CA-OD2 3.29Å; Y398-D402 HydrophobicContact CD1-CB 4.42Å; Y398-G405 VanDerWaalsContact CE1-CA 3.46Å
399	T	93.8	Very high	95.6	Very high	48 Å²	48	67.4 Å²	67.4	29%	0.294	34%	0.337	S	S	.	.			trans	-118.3	-165.2	172.5	-168.5	0	0	0	0	110	D402	T399-D402 VanDerWaalsContact CG2-OD2 3.29Å; T399-D402 WeakPolarHBondContact CG2-OD2 3.28Å; T399-D402 PolarHBondContact N-OD2 3.15Å
400	Y	93.4	Very high	95.7	Very high	207 Å²	207	65.9 Å²	65.9	81%	0.812	33%	0.329	S	S	*	.	T	Hydrogen-bonded Turn	trans	-60.9	140.7	177.6	-61.1	-84.3	0	0	0	111.8	D402	Y400-D402 PolarHBondContact O-N 3.29Å
401	L	93.9	Very high	95.8	Very high	70 Å²	70	62.2 Å²	62.2	37%	0.366	30%	0.304	S	S	.	.	T	Hydrogen-bonded Turn	trans	64.6	12.9	177.5	-50.6	178.9	0	0	0	115.9	E438 L441 V442	L401-E438 HydrophobicContact CB-CB 4.18Å; L401-E438 HydrophobicContact CB-CG 4.01Å; L401-E438 HydrophobicContact CD1-CB 4.07Å; L401-L441 HydrophobicContact CD2-CD2 4.42Å; L401-V442 HydrophobicContact CD2-CG2 3.56Å
402	D	93	Very high	96	Very high	28 Å²	28	61 Å²	61	15%	0.15	30%	0.3	C	S	.	.			trans	-81.6	138.7	174.3	-72.9	-12.9	0	0	0	111.9	E376 Y398 T399 Y400 R406	E376-D402 VanDerWaalsContact OE1-C 3.3Å; E376-D402 WeakPolarHBondContact OE1-CA 3.38Å; E376-D402 WeakPolarHBondContact OE1-CB 3.42Å; Y398-D402 WeakPolarHBondContact CA-OD2 3.29Å; Y398-D402 HydrophobicContact CD1-CB 4.42Å; T399-D402 VanDerWaalsContact CG2-OD2 3.29Å; T399-D402 WeakPolarHBondContact CG2-OD2 3.28Å; T399-D402 PolarHBondContact N-OD2 3.15Å; Y400-D402 PolarHBondContact O-N 3.29Å; D402-R406 WeakPolarHBondContact OD1-CD 3.28Å; D402-R406 WeakPolarHBondContact OD2-CD 3.48Å; D402-R406 WeakPolarHBondContact OD2-CG 3.24Å
403	T	92.5	Very high	96.1	Very high	74 Å²	74	62.2 Å²	62.2	45%	0.454	30%	0.301	S	S	.	.	S	Bend	trans	-113.1	-38.8	179.5	58.2	0	0	0	0	113.4	E376 L441	E376-T403 PolarHBondContact OE1-N 3.3Å; E376-T403 PolarHBondContact OE2-N 2.82Å; E376-T403 PolarHBondContact OE2-OG1 2.93Å; E376-T403 VanDerWaalsContact OE2-OG1 3.13Å; T403-L441 HydrophobicContact CG2-CD1 3.94Å; T403-L441 HydrophobicContact CG2-CD2 3.96Å
404	F	93.6	Very high	96.1	Very high	96 Å²	96	63.8 Å²	63.8	42%	0.421	30%	0.296	S	S	.	.	S	Bend	trans	-127.6	3.9	179.9	58	-97.6	0	0	0	113.2	E376	E376-F404 HydrophobicContact CB-CE1 4.43Å; E376-F404 HydrophobicContact CB-CE2 3.97Å; E376-F404 HydrophobicContact CB-CZ 3.77Å; E376-F404 HydrophobicContact CG-CE2 4.47Å; E376-F404 PolarHBondContact OE1-N 3.14Å; E376-F404 VanDerWaalsContact OE1-N 3.11Å
405	G	94.4	Very high	96.2	Very high	1 Å²	1	61.6 Å²	61.6	1%	0.01	29%	0.285	C	S	.	.			trans	90.2	150	173.4	0	0	0	0	0	112.7	E376 Y398	E376-G405 WeakPolarHBondContact OE1-CA 3.28Å; E376-G405 PolarHBondContact OE1-N 3.05Å; Y398-G405 VanDerWaalsContact CE1-CA 3.46Å
406	R	96.9	Very high	96.2	Very high	16 Å²	16	57.8 Å²	57.8	6%	0.06	27%	0.267	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-91.6	130.6	-179.8	-70.1	-178.7	68.6	-177.3	-1.3	110.4	E235 V236 I373 L374 E376 L396 H397 D402	E235-R406 IonicContact OE1-CZ 3.01Å; E235-R406 IonicContact OE1-NH1 3.45Å; E235-R406 PolarHBondContact OE1-NH1 2.7Å; E235-R406 IonicContact OE1-NH2 2.74Å; V236-R406 PolarHBondContact O-NH2 3.33Å; I373-R406 HydrophobicContact CG2-CB 3.93Å; I373-R406 PolarHBondContact O-NH2 3.29Å; L374-R406 VanDerWaalsContact O-CB 3.28Å; L374-R406 WeakPolarHBondContact O-CB 3.45Å; L374-R406 PolarHBondContact O-NE 3.3Å; E376-R406 HydrophobicContact CB-CG 4.42Å; E376-R406 HydrophobicContact CG-CG 3.5Å; L396-R406 WeakPolarHBondContact CA-O 3.27Å; H397-R406 PolarHBondContact N-O 3.09Å; H397-R406 PolarHBondContact O-N 2.88Å; D402-R406 WeakPolarHBondContact OD1-CD 3.28Å; D402-R406 WeakPolarHBondContact OD2-CD 3.48Å; D402-R406 WeakPolarHBondContact OD2-CG 3.24Å
407	P	97.8	Very high	96.3	Very high	22 Å²	22	52.9 Å²	52.9	14%	0.143	24%	0.241	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-70	134.1	177.8	25.7	-28.5	0	0	0	110.7	L374 A378 I381	L374-P407 HydrophobicContact CB-CG 4.19Å; L374-P407 PolarHBondContact N-O 2.85Å; A378-P407 HydrophobicContact CB-CG 4.03Å; I381-P407 HydrophobicContact CD1-CB 3.96Å; I381-P407 HydrophobicContact CD1-CG 4.06Å
408	V	98.3	Very high	96.2	Very high	5 Å²	5	53 Å²	53	3%	0.03	24%	0.242	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-117.8	122.9	178.7	-173.7	0	0	0	0	110.4	K371 I372 I373 D394 E395 H397 V410	K371-V408 HydrophobicContact CB-CG1 3.94Å; K371-V408 HydrophobicContact CD-CG1 4.39Å; K371-V408 HydrophobicContact CG-CG1 4.41Å; I372-V408 WeakPolarHBondContact O-CA 3.47Å; I373-V408 HydrophobicContact CB-CG2 4.34Å; I373-V408 HydrophobicContact CG1-CG1 4.17Å; I373-V408 HydrophobicContact CG1-CG2 3.89Å; I373-V408 HydrophobicContact CG2-CG2 4.24Å; D394-V408 WeakPolarHBondContact CA-O 3.45Å; E395-V408 HydrophobicContact CB-CB 4.28Å; E395-V408 PolarHBondContact N-O 3.08Å; E395-V408 PolarHBondContact O-N 3.01Å; H397-V408 HydrophobicContact CB-CG2 3.41Å; H397-V408 VanDerWaalsContact CB-CG2 3.41Å; V408-V410 HydrophobicContact CG1-CG2 4.08Å
409	I	98	Very high	96.1	Very high	3 Å²	3	48.9 Å²	48.9	2%	0.015	23%	0.228	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-84.5	127	170.7	-60.8	165.9	0	0	0	108	K371 I372 L374 I381 I383 V426	K371-I409 CarbonylContact C-O 3.58Å; K371-I409 VanDerWaalsContact CA-O 3.3Å; K371-I409 WeakPolarHBondContact CA-O 3.41Å; I372-I409 HydrophobicContact CB-CB 4.25Å; I372-I409 HydrophobicContact CB-CD1 4.45Å; I372-I409 PolarHBondContact N-O 3.35Å; I372-I409 PolarHBondContact O-N 3.44Å; L374-I409 HydrophobicContact CD1-CD1 4.07Å; I381-I409 HydrophobicContact CG2-CD1 3.5Å; I381-I409 VanDerWaalsContact CG2-CD1 3.5Å; I381-I409 HydrophobicContact CG2-CG1 3.98Å; I383-I409 HydrophobicContact CD1-CB 4.32Å; I383-I409 HydrophobicContact CD1-CD1 3.89Å; I383-I409 HydrophobicContact CD1-CG1 4.15Å; I383-I409 HydrophobicContact CD1-CG2 3.27Å; I383-I409 HydrophobicContact CG1-CD1 4.04Å; I383-I409 HydrophobicContact CG1-CG2 4.42Å; I409-V426 HydrophobicContact CD1-CB 4.5Å; I409-V426 HydrophobicContact CD1-CG1 3.52Å; I409-V426 HydrophobicContact CD1-CG2 4.13Å
410	V	98.1	Very high	96.2	Very high	0 Å²	0	47.1 Å²	47.1	0%	0	22%	0.216	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-117.2	120.5	177.7	-172.5	0	0	0	0	110.5	T369 V370 K371 A392 E395 V408 Y412	T369-V410 HydrophobicContact CG2-CG1 4.04Å; V370-V410 WeakPolarHBondContact O-CA 3.28Å; K371-V410 HydrophobicContact CD-CG2 4.47Å; K371-V410 HydrophobicContact CG-CG1 4.47Å; K371-V410 HydrophobicContact CG-CG2 4.26Å; A392-V410 HydrophobicContact CB-CB 4.13Å; A392-V410 HydrophobicContact CB-CG1 4.26Å; A392-V410 PolarHBondContact N-O 3.14Å; E395-V410 HydrophobicContact CG-CG2 4.12Å; V408-V410 HydrophobicContact CG1-CG2 4.08Å; V410-Y412 HydrophobicContact CG1-CD2 4.47Å; V410-Y412 HydrophobicContact CG1-CE1 4.27Å; V410-Y412 HydrophobicContact CG1-CE2 3.74Å
411	A	98	Very high	96.4	Very high	4 Å²	4	39.3 Å²	39.3	3%	0.033	19%	0.188	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-123.5	134.2	176.6	0	0	0	0	0	111.3	F355 T369 V370 I389	F355-A411 HydrophobicContact CE2-CB 3.83Å; F355-A411 HydrophobicContact CZ-CB 4.02Å; T369-A411 WeakPolarHBondContact CA-O 3.48Å; V370-A411 PolarHBondContact N-O 3.47Å; V370-A411 PolarHBondContact O-N 2.71Å; I389-A411 HydrophobicContact CD1-CB 3.86Å
412	Y	98.1	Very high	96.5	Very high	96 Å²	96	39.7 Å²	39.7	38%	0.376	19%	0.188	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-111.3	138.9	176.6	-60.5	-75.7	0	0	0	110.7	L368 T369 S390 A392 V410	L368-Y412 WeakPolarHBondContact O-CA 3.44Å; T369-Y412 HydrophobicContact CG2-CD1 3.86Å; T369-Y412 HydrophobicContact CG2-CE1 3.42Å; T369-Y412 VanDerWaalsContact CG2-CE1 3.42Å; T369-Y412 VanDerWaalsContact OG1-CD1 3.32Å; T369-Y412 WeakPolarHBondContact OG1-CD1 3.44Å; T369-Y412 VanDerWaalsContact OG1-CE1 3.28Å; T369-Y412 WeakPolarHBondContact OG1-CE1 3.19Å; S390-Y412 WeakPolarHBondContact CB-O 3.2Å; S390-Y412 PolarHBondContact N-O 3.3Å; S390-Y412 PolarHBondContact O-N 3.2Å; A392-Y412 HydrophobicContact CB-CD2 4.05Å; A392-Y412 HydrophobicContact CB-CE2 3.5Å; V410-Y412 HydrophobicContact CG1-CD2 4.47Å; V410-Y412 HydrophobicContact CG1-CE1 4.27Å; V410-Y412 HydrophobicContact CG1-CE2 3.74Å
413	K	97.7	Very high	96.6	Very high	45 Å²	45	41.5 Å²	41.5	20%	0.196	20%	0.198	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-146.8	148.7	171.3	-170.6	60.4	169.7	70.3	0	109.8	F355 L368 Y387 E388 I389 L416	F355-K413 HydrophobicContact CE1-CB 4.03Å; F355-K413 HydrophobicContact CZ-CB 4.38Å; L368-K413 PolarHBondContact N-O 3.37Å; L368-K413 PolarHBondContact O-N 3.45Å; Y387-K413 HydrophobicContact CE2-CG 4.45Å; E388-K413 WeakPolarHBondContact O-CD 2.85Å; E388-K413 WeakPolarHBondContact O-CE 3.41Å; I389-K413 HydrophobicContact CG2-CD 4.48Å; K413-L416 HydrophobicContact CB-CD1 4.27Å; K413-L416 HydrophobicContact CB-CD2 4.49Å; K413-L416 HydrophobicContact CG-CD1 4.15Å; K413-L416 HydrophobicContact CG-CD2 3.52Å; K413-L416 HydrophobicContact CG-CG 3.95Å
414	K	97.9	Very high	96.9	Very high	146 Å²	146	38.2 Å²	38.2	64%	0.635	18%	0.178	S	C	*	.	E	Extended strand (participates in β ladder)	trans	-121.1	159.4	179.3	-65	-174.3	178.6	-178	0	110.6	D366	D366-K414 VanDerWaalsContact O-CA 3.29Å; D366-K414 WeakPolarHBondContact O-CA 3.44Å; D366-K414 VanDerWaalsContact O-CB 3.31Å; D366-K414 WeakPolarHBondContact O-CB 3.33Å
415	N	97.2	Very high	97.1	Very high	30 Å²	30	35.1 Å²	35.1	16%	0.16	17%	0.167	C	C	.	.	E	Extended strand (participates in β ladder)	trans	53.6	57	175.1	-156.9	29.9	0	0	0	113.1	L81 A82 T136 I365 D366	L81-N415 VanDerWaalsContact C-ND2 3.28Å; L81-N415 PolarHBondContact O-ND2 3.3Å; A82-N415 VanDerWaalsContact CA-ND2 3.34Å; A82-N415 WeakPolarHBondContact CA-ND2 3.41Å; A82-N415 PolarHBondContact N-ND2 3.18Å; T136-N415 WeakPolarHBondContact CB-OD1 3.45Å; T136-N415 WeakPolarHBondContact CG2-OD1 3.39Å; T136-N415 PolarHBondContact OG1-ND2 3.04Å; T136-N415 PolarHBondContact OG1-OD1 3.14Å; I365-N415 CarbonylContact O-C 3.59Å; I365-N415 VanDerWaalsContact O-CA 3.27Å; I365-N415 WeakPolarHBondContact O-CA 3.37Å; I365-N415 PolarHBondContact O-N 3.21Å; D366-N415 PolarHBondContact O-N 3.22Å
416	L	98.1	Very high	97.3	Very high	1 Å²	1	35.1 Å²	35.1	1%	0.005	17%	0.166	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-91.4	147.8	176.9	-62.9	178.3	0	0	0	111	F355 V356 V364 I365 L368 K413 H420	F355-L416 HydrophobicContact CE1-CD1 4.46Å; V356-L416 HydrophobicContact CB-CD1 4.24Å; V356-L416 HydrophobicContact CG1-CD1 4.29Å; V356-L416 HydrophobicContact CG2-CD1 4.41Å; V364-L416 WeakPolarHBondContact CA-O 3.47Å; I365-L416 HydrophobicContact CB-CB 4.18Å; I365-L416 HydrophobicContact CD1-CB 4.31Å; I365-L416 PolarHBondContact N-O 2.87Å; I365-L416 PolarHBondContact O-N 3.31Å; L368-L416 HydrophobicContact CB-CD1 3.79Å; L368-L416 HydrophobicContact CD2-CD1 3.34Å; L368-L416 HydrophobicContact CG-CD1 4.19Å; K413-L416 HydrophobicContact CB-CD1 4.27Å; K413-L416 HydrophobicContact CB-CD2 4.49Å; K413-L416 HydrophobicContact CG-CD1 4.15Å; K413-L416 HydrophobicContact CG-CD2 3.52Å; K413-L416 HydrophobicContact CG-CG 3.95Å; L416-H420 HydrophobicContact CB-CB 4.47Å; L416-H420 HydrophobicContact CD2-CB 3.71Å; L416-H420 WeakPolarHBondContact CD2-CD2 3.26Å; L416-H420 VanDerWaalsContact CD2-CG 3.47Å
417	V	97.8	Very high	97.3	Very high	0 Å²	0	37.7 Å²	37.7	0%	0	18%	0.179	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-132.7	172.3	175.5	-68.8	0	0	0	0	108.9	A82 H83 V134 T136 Q363 Q419 H420	A82-V417 HydrophobicContact CB-CB 4.43Å; A82-V417 HydrophobicContact CB-CG1 3.57Å; A82-V417 HydrophobicContact CB-CG2 3.98Å; H83-V417 HydrophobicContact CB-CG2 3.88Å; V134-V417 HydrophobicContact CG1-CG1 4.09Å; V134-V417 HydrophobicContact CG1-CG2 4.4Å; T136-V417 HydrophobicContact CG2-CG1 3.58Å; Q363-V417 WeakPolarHBondContact O-CA 3.35Å; V417-Q419 HydrophobicContact CG2-CB 4.38Å; V417-Q419 VanDerWaalsContact CG2-OE1 3.24Å; V417-Q419 PolarHBondContact O-N 2.97Å; V417-Q419 VanDerWaalsContact O-N 3.16Å; V417-H420 WeakPolarHBondContact CG2-ND1 3.23Å; V417-H420 PolarHBondContact N-ND1 2.91Å; V417-H420 WeakPolarHBondContact O-CB 3.23Å; V417-H420 PolarHBondContact O-N 2.89Å
418	E	95.9	Very high	97.4	Very high	75 Å²	75	36.8 Å²	36.8	35%	0.35	17%	0.173	S	C	.	.	G	3₁₀ helix	trans	-52.1	-36.4	-178.4	-160.7	176.9	156.4	0	0	113.8	E362 H420 I421	E362-E418 PolarHBondContact N-OE2 2.99Å; E418-H420 PolarHBondContact O-N 2.91Å; E418-I421 HydrophobicContact CG-CD1 3.89Å; E418-I421 WeakPolarHBondContact O-CB 3.36Å; E418-I421 VanDerWaalsContact O-CG1 3.23Å; E418-I421 WeakPolarHBondContact O-CG1 3.3Å; E418-I421 PolarHBondContact O-N 2.86Å
419	Q	94.1	Very high	97.3	Very high	59 Å²	59	38.3 Å²	38.3	28%	0.276	18%	0.182	S	C	.	.	G	3₁₀ helix	trans	-63.3	-10.7	176	-65.1	83.3	-2.7	0	0	114.6	H83 V417	H83-Q419 HydrophobicContact CB-CB 4.48Å; V417-Q419 HydrophobicContact CG2-CB 4.38Å; V417-Q419 VanDerWaalsContact CG2-OE1 3.24Å; V417-Q419 PolarHBondContact O-N 2.97Å; V417-Q419 VanDerWaalsContact O-N 3.16Å
420	H	96.4	Very high	97.3	Very high	11 Å²	11	38.4 Å²	38.4	5%	0.051	18%	0.182	C	C	.	.	G	3₁₀ helix	trans	-89.1	0.9	174.1	-67.8	85.5	0	0	0	113.6	A82 V356 Y387 L416 V417 E418 Q422	A82-H420 PolarHBondContact O-CE1 3.01Å; A82-H420 PolarHBondContact O-NE2 2.79Å; V356-H420 HydrophobicContact CG1-CB 4.18Å; V356-H420 WeakPolarHBondContact CG1-O 3.42Å; Y387-H420 HydrophobicContact CE1-CB 4.1Å; Y387-H420 WeakPolarHBondContact CE1-O 3.49Å; Y387-H420 PolarHBondContact OH-O 2.83Å; Y387-H420 VanDerWaalsContact OH-O 3.11Å; L416-H420 HydrophobicContact CB-CB 4.47Å; L416-H420 HydrophobicContact CD2-CB 3.71Å; L416-H420 WeakPolarHBondContact CD2-CD2 3.26Å; L416-H420 VanDerWaalsContact CD2-CG 3.47Å; V417-H420 WeakPolarHBondContact CG2-ND1 3.23Å; V417-H420 PolarHBondContact N-ND1 2.91Å; V417-H420 WeakPolarHBondContact O-CB 3.23Å; V417-H420 PolarHBondContact O-N 2.89Å; E418-H420 PolarHBondContact O-N 2.91Å; H420-Q422 VanDerWaalsContact C-N 3.29Å; H420-Q422 PolarHBondContact O-N 2.88Å
421	I	96.7	Very high	97.1	Very high	43 Å²	43	42.4 Å²	42.4	22%	0.221	20%	0.204	C	C	.	.			trans	-68	92.4	173.3	-62.8	170	0	0	0	108.1	R354 V356 H358 E418	R354-I421 HydrophobicContact CG-CG2 4.18Å; V356-I421 HydrophobicContact CG1-CG1 4.21Å; H358-I421 HydrophobicContact CB-CD1 4.11Å; E418-I421 HydrophobicContact CG-CD1 3.89Å; E418-I421 WeakPolarHBondContact O-CB 3.36Å; E418-I421 VanDerWaalsContact O-CG1 3.23Å; E418-I421 WeakPolarHBondContact O-CG1 3.3Å; E418-I421 PolarHBondContact O-N 2.86Å
422	Q	95.2	Very high	96.7	Very high	78 Å²	78	47 Å²	47	36%	0.364	22%	0.223	S	C	.	.			trans	-138.8	156.9	-180	-62	-172.2	32.8	0	0	110	R354 F355 P386 Y387 H420	R354-Q422 WeakPolarHBondContact CA-O 3.47Å; F355-Q422 PolarHBondContact N-O 2.88Å; P386-Q422 HydrophobicContact CB-CB 3.78Å; P386-Q422 VanDerWaalsContact CB-OE1 3.24Å; P386-Q422 HydrophobicContact CG-CB 3.7Å; Y387-Q422 HydrophobicContact CE1-CB 4.15Å; Y387-Q422 HydrophobicContact CE1-CG 4.37Å; H420-Q422 VanDerWaalsContact C-N 3.29Å; H420-Q422 PolarHBondContact O-N 2.88Å
423	D	96.9	Very high	96.5	Very high	67 Å²	67	47.1 Å²	47.1	36%	0.358	23%	0.233	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-82	132.5	-176.9	-63.1	-33.4	0	0	0	111.7	K352 M353 R354 P386	K352-D423 HydrophobicContact CD-CB 4.44Å; K352-D423 WeakPolarHBondContact CE-OD2 3.21Å; K352-D423 HydrophobicContact CG-CB 3.95Å; K352-D423 IonicContact NZ-OD2 3.75Å; K352-D423 PolarHBondContact NZ-OD2 3.3Å; M353-D423 CarbonylContact O-C 3.55Å; M353-D423 WeakPolarHBondContact O-CA 3.34Å; R354-D423 WeakPolarHBondContact CG-OD1 3.48Å; R354-D423 PolarHBondContact N-OD1 2.9Å; P386-D423 WeakPolarHBondContact CD-O 3.46Å; P386-D423 WeakPolarHBondContact CG-O 2.77Å
424	I	97.6	Very high	96.2	Very high	5 Å²	5	47.2 Å²	47.2	3%	0.026	24%	0.236	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-97	139.2	164.8	-176.9	166.4	0	0	0	108.8	K352 M353 F355 I383 I389	K352-I424 WeakPolarHBondContact CA-O 3.32Å; M353-I424 PolarHBondContact N-O 2.85Å; M353-I424 VanDerWaalsContact O-CG2 3.23Å; M353-I424 WeakPolarHBondContact O-CG2 3.42Å; M353-I424 PolarHBondContact O-N 2.69Å; F355-I424 HydrophobicContact CB-CB 4.32Å; F355-I424 HydrophobicContact CB-CG2 4.11Å; F355-I424 HydrophobicContact CD2-CB 4.24Å; F355-I424 HydrophobicContact CD2-CD1 3.73Å; F355-I424 HydrophobicContact CD2-CG2 4.15Å; F355-I424 HydrophobicContact CE2-CD1 4.1Å; I383-I424 HydrophobicContact CG2-CD1 3.62Å; I383-I424 HydrophobicContact CG2-CG1 3.88Å; I389-I424 HydrophobicContact CD1-CD1 4.26Å
425	V	98.1	Very high	95.8	Very high	31 Å²	31	41.7 Å²	41.7	19%	0.188	21%	0.212	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-114.2	129.5	176.4	-170.9	0	0	0	0	109.9	A350 L351 K352 I383 D384 H427	A350-V425 HydrophobicContact CB-CG1 4.47Å; L351-V425 CarbonylContact O-C 3.58Å; L351-V425 VanDerWaalsContact O-CA 3.26Å; L351-V425 WeakPolarHBondContact O-CA 3.28Å; K352-V425 HydrophobicContact CB-CG2 4.16Å; K352-V425 HydrophobicContact CD-CG2 4.32Å; K352-V425 HydrophobicContact CG-CG2 3.99Å; I383-V425 WeakPolarHBondContact CA-O 3.32Å; D384-V425 HydrophobicContact CB-CB 4.33Å; D384-V425 PolarHBondContact N-O 3.46Å; D384-V425 PolarHBondContact O-N 3.25Å; V425-H427 WeakPolarHBondContact CG1-NE2 3.28Å
426	V	98	Very high	95.6	Very high	1 Å²	1	45.1 Å²	45.1	1%	0.006	23%	0.23	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-118	115.9	177	-178.2	0	0	0	0	109.4	A350 L351 I372 L374 I381 E382 I383 I409 Y428	A350-V426 WeakPolarHBondContact CA-O 3.38Å; L351-V426 HydrophobicContact CB-CB 4.41Å; L351-V426 PolarHBondContact N-O 2.98Å; L351-V426 PolarHBondContact O-N 2.83Å; I372-V426 HydrophobicContact CD1-CG2 3.71Å; L374-V426 HydrophobicContact CD1-CG1 4.17Å; I381-V426 HydrophobicContact CG2-CG1 4.08Å; E382-V426 CarbonylContact O-C 3.58Å; E382-V426 WeakPolarHBondContact O-CA 3.26Å; I383-V426 HydrophobicContact CG1-CG2 4.38Å; I383-V426 HydrophobicContact CG2-CG2 4.45Å; I409-V426 HydrophobicContact CD1-CB 4.5Å; I409-V426 HydrophobicContact CD1-CG1 3.52Å; I409-V426 HydrophobicContact CD1-CG2 4.13Å; V426-Y428 HydrophobicContact CG1-CD1 4.31Å
427	H	98.3	Very high	95.4	Very high	69 Å²	69	47.4 Å²	47.4	32%	0.319	24%	0.241	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-95.5	135	175.2	-65.9	-82.4	0	0	0	110.2	Y349 I381 E382 D384 V425	Y349-H427 WeakPolarHBondContact O-CA 3.37Å; I381-H427 CarbonylContact C-O 3.57Å; I381-H427 WeakPolarHBondContact CA-O 3.23Å; E382-H427 HydrophobicContact CB-CB 4.25Å; E382-H427 PolarHBondContact N-O 2.84Å; E382-H427 PolarHBondContact O-N 2.81Å; D384-H427 IonicContact OD2-CD2 3.08Å; D384-H427 IonicContact OD2-NE2 3.05Å; V425-H427 WeakPolarHBondContact CG1-NE2 3.28Å
428	Y	98.2	Very high	95.2	Very high	4 Å²	4	49.2 Å²	49.2	2%	0.016	25%	0.25	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-154.3	159	173.9	60.3	-81.3	0	0	0	111.2	H238 L342 Y349 L374 P375 A378 V426 F430	H238-Y428 AromaticContact CE1-CE2 3.95Å; H238-Y428 AromaticContact NE2-CE2 3.64Å; H238-Y428 AromaticContact NE2-CZ 3.68Å; H238-Y428 PolarHBondContact NE2-OH 3.44Å; L342-Y428 WeakPolarHBondContact CD1-OH 3.1Å; Y349-Y428 HydrophobicContact CD2-CE2 4.43Å; Y349-Y428 HydrophobicContact CG-CE2 4.08Å; Y349-Y428 PolarHBondContact N-O 3.28Å; Y349-Y428 PolarHBondContact O-N 3.48Å; L374-Y428 HydrophobicContact CD1-CD1 4.1Å; L374-Y428 HydrophobicContact CD1-CG 4.2Å; L374-Y428 HydrophobicContact CD2-CD1 4.1Å; L374-Y428 HydrophobicContact CD2-CE1 3.8Å; P375-Y428 HydrophobicContact CG-CE2 4.35Å; A378-Y428 HydrophobicContact CB-CD2 3.85Å; A378-Y428 HydrophobicContact CB-CE2 4.49Å; A378-Y428 HydrophobicContact CB-CG 4.38Å; V426-Y428 HydrophobicContact CG1-CD1 4.31Å; Y428-F430 HydrophobicContact CD2-CB 4.17Å; Y428-F430 HydrophobicContact CE2-CB 4.13Å
429	T	97.8	Very high	95.2	Very high	36 Å²	36	48.3 Å²	48.3	22%	0.221	25%	0.25	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-102.4	137	172.8	52.8	0	0	0	0	110.1	D347 Q348 K379 N380	D347-T429 VanDerWaalsContact O-CA 3.31Å; D347-T429 WeakPolarHBondContact O-CA 3.43Å; Q348-T429 HydrophobicContact CG-CG2 4.04Å; K379-T429 PolarHBondContact N-O 2.59Å; K379-T429 PolarHBondContact O-N 3.13Å; K379-T429 PolarHBondContact O-OG1 2.74Å; N380-T429 PolarHBondContact ND2-OG1 3.01Å
430	F	96.7	Very high	95.3	Very high	5 Å²	5	50.8 Å²	50.8	2%	0.022	27%	0.265	C	S	.	.			trans	-144.1	128.4	-179.3	175.2	-98.2	0	0	0	110.6	H238 D347 Y349 P375 E376 Y428 K432 L434 M435	H238-F430 AromaticContact CE1-CD1 3.47Å; H238-F430 VanDerWaalsContact CE1-CD1 3.47Å; H238-F430 WeakPolarHBondContact CE1-CD1 3.49Å; H238-F430 AromaticContact CE1-CG 3.82Å; H238-F430 AromaticContact ND1-CD1 3.29Å; H238-F430 VanDerWaalsContact ND1-CD1 3.29Å; H238-F430 WeakPolarHBondContact ND1-CD1 3.36Å; H238-F430 AromaticContact ND1-CE1 3.44Å; H238-F430 WeakPolarHBondContact ND1-CE1 3.37Å; D347-F430 PolarHBondContact O-N 2.93Å; Y349-F430 HydrophobicContact CD2-CB 3.77Å; Y349-F430 HydrophobicContact CE2-CB 3.77Å; Y349-F430 AromaticContact CE2-CD1 4Å; Y349-F430 HydrophobicContact CE2-CD1 4Å; Y349-F430 HydrophobicContact CE2-CG 4.4Å; P375-F430 HydrophobicContact CB-CE2 4.24Å; P375-F430 HydrophobicContact CG-CD2 4.17Å; P375-F430 HydrophobicContact CG-CE2 4.29Å; E376-F430 WeakPolarHBondContact O-CE2 3.4Å; Y428-F430 HydrophobicContact CD2-CB 4.17Å; Y428-F430 HydrophobicContact CE2-CB 4.13Å; F430-K432 PolarHBondContact O-N 2.78Å; F430-L434 HydrophobicContact CE2-CD2 4.3Å; F430-M435 HydrophobicContact CE1-CG 3.49Å; F430-M435 VanDerWaalsContact CE1-CG 3.49Å; F430-M435 HydrophobicContact CE1-SD 3.89Å; F430-M435 HydrophobicContact CZ-CG 3.36Å; F430-M435 HydrophobicContact CZ-SD 4.31Å
431	N	94.2	Very high	95.2	Very high	85 Å²	85	53.5 Å²	53.5	46%	0.455	28%	0.279	S	S	.	.			trans	-85	113	177.7	-179.8	-5.4	0	0	0	109.8	V433 L434	N431-V433 PolarHBondContact O-N 2.98Å; N431-V433 VanDerWaalsContact O-N 3.09Å; N431-V433 WeakPolarHBondContact OD1-CB 3.21Å; N431-V433 PolarHBondContact OD1-N 3.09Å; N431-L434 WeakPolarHBondContact O-CB 3.42Å; N431-L434 PolarHBondContact O-N 3.02Å
432	K	90	Very high	95.2	Very high	100 Å²	100	54.2 Å²	54.2	44%	0.435	29%	0.286	S	S	.	.	G	3₁₀ helix	trans	-53.7	-31.8	-179.5	-69.5	176.1	-179.1	171	0	114.2	Y349 F430 L434 M435	Y349-K432 WeakPolarHBondContact OH-CE 3.33Å; Y349-K432 VanDerWaalsContact OH-CG 3.27Å; Y349-K432 WeakPolarHBondContact OH-CG 3.41Å; F430-K432 PolarHBondContact O-N 2.78Å; K432-L434 PolarHBondContact O-N 2.63Å; K432-M435 PolarHBondContact O-N 3.36Å
433	V	93	Very high	95.4	Very high	99 Å²	99	54.8 Å²	54.8	60%	0.6	29%	0.294	S	S	*	.	G	3₁₀ helix	trans	-65.2	-27	179	-177.6	0	0	0	0	111.4	N431 M435 L436	N431-V433 PolarHBondContact O-N 2.98Å; N431-V433 VanDerWaalsContact O-N 3.09Å; N431-V433 WeakPolarHBondContact OD1-CB 3.21Å; N431-V433 PolarHBondContact OD1-N 3.09Å; V433-M435 PolarHBondContact O-N 3.07Å; V433-L436 HydrophobicContact CG1-CD1 4.38Å; V433-L436 WeakPolarHBondContact O-CB 3.28Å; V433-L436 PolarHBondContact O-N 3.07Å; V433-L436 VanDerWaalsContact O-N 3.15Å
434	L	92.3	Very high	95.4	Very high	46 Å²	46	53.9 Å²	53.9	24%	0.241	30%	0.296	C	S	.	.	G	3₁₀ helix	trans	-65.7	-26.5	-178.5	-162.4	144	0	0	0	112	E376 F430 N431 K432 L436 Q437	E376-L434 WeakPolarHBondContact O-CD2 3.43Å; F430-L434 HydrophobicContact CE2-CD2 4.3Å; N431-L434 WeakPolarHBondContact O-CB 3.42Å; N431-L434 PolarHBondContact O-N 3.02Å; K432-L434 PolarHBondContact O-N 2.63Å; L434-L436 PolarHBondContact O-N 3.33Å; L434-L436 VanDerWaalsContact O-N 3.14Å; L434-Q437 HydrophobicContact CD2-CG 4.47Å; L434-Q437 VanDerWaalsContact O-CB 3.3Å; L434-Q437 WeakPolarHBondContact O-CB 3.5Å; L434-Q437 WeakPolarHBondContact O-CG 3.4Å; L434-Q437 PolarHBondContact O-N 2.96Å
435	M	90.3	Very high	95.3	Very high	30 Å²	30	56.5 Å²	56.5	15%	0.148	32%	0.318	C	S	.	.	G	3₁₀ helix	trans	-58.4	-27.6	174.1	-63.5	-178.5	67.5	0	0	113.4	H238 W239 F430 K432 V433 Q437 E438 P439	H238-M435 HydrophobicContact CB-CE 3.61Å; H238-M435 HydrophobicContact CB-SD 3.68Å; W239-M435 HydrophobicContact CD2-CE 3.74Å; W239-M435 HydrophobicContact CE3-CE 4.28Å; W239-M435 HydrophobicContact CG-CE 3.88Å; W239-M435 HydrophobicContact CZ2-CB 4.44Å; W239-M435 HydrophobicContact CZ2-CE 4.36Å; F430-M435 HydrophobicContact CE1-CG 3.49Å; F430-M435 VanDerWaalsContact CE1-CG 3.49Å; F430-M435 HydrophobicContact CE1-SD 3.89Å; F430-M435 HydrophobicContact CZ-CG 3.36Å; F430-M435 HydrophobicContact CZ-SD 4.31Å; K432-M435 PolarHBondContact O-N 3.36Å; V433-M435 PolarHBondContact O-N 3.07Å; M435-Q437 PolarHBondContact O-N 3.46Å; M435-E438 PolarHBondContact O-N 3.24Å; M435-P439 WeakPolarHBondContact O-CD 3.36Å
436	L	93.1	Very high	95.3	Very high	103 Å²	103	61 Å²	61	54%	0.539	34%	0.335	S	S	.	.	G	3₁₀ helix	trans	-66.4	-15.6	178.8	-66.8	173	0	0	0	112.8	V433 L434 E438 P439 L440	V433-L436 HydrophobicContact CG1-CD1 4.38Å; V433-L436 WeakPolarHBondContact O-CB 3.28Å; V433-L436 PolarHBondContact O-N 3.07Å; V433-L436 VanDerWaalsContact O-N 3.15Å; L434-L436 PolarHBondContact O-N 3.33Å; L434-L436 VanDerWaalsContact O-N 3.14Å; L436-E438 PolarHBondContact O-N 2.91Å; L436-P439 WeakPolarHBondContact O-CD 3.4Å; L436-L440 WeakPolarHBondContact O-CB 3.33Å; L436-L440 VanDerWaalsContact O-CG 3.23Å; L436-L440 WeakPolarHBondContact O-CG 3.28Å; L436-L440 PolarHBondContact O-N 3.39Å
437	Q	93.1	Very high	95.3	Very high	48 Å²	48	68.5 Å²	68.5	22%	0.224	37%	0.365	C	S	.	.	H	α-helix	trans	-61.3	-35.7	176.7	80.9	-179.5	-6.2	0	0	111.9	E376 L434 M435 L440 L441	E376-Q437 PolarHBondContact OE2-NE2 3.04Å; L434-Q437 HydrophobicContact CD2-CG 4.47Å; L434-Q437 VanDerWaalsContact O-CB 3.3Å; L434-Q437 WeakPolarHBondContact O-CB 3.5Å; L434-Q437 WeakPolarHBondContact O-CG 3.4Å; L434-Q437 PolarHBondContact O-N 2.96Å; M435-Q437 PolarHBondContact O-N 3.46Å; Q437-L440 PolarHBondContact O-N 3.13Å; Q437-L441 WeakPolarHBondContact O-CB 3.22Å; Q437-L441 PolarHBondContact O-N 2.86Å
438	E	93.1	Very high	95.3	Very high	39 Å²	39	70.3 Å²	70.3	18%	0.182	38%	0.376	C	S	.	.	H	α-helix	trans	-66.9	-50.8	-174	-71.4	173.7	-149.3	0	0	111.9	W239 L401 M435 L436 L440 L441 V442	W239-E438 PolarHBondContact NE1-OE2 3.37Å; L401-E438 HydrophobicContact CB-CB 4.18Å; L401-E438 HydrophobicContact CB-CG 4.01Å; L401-E438 HydrophobicContact CD1-CB 4.07Å; M435-E438 PolarHBondContact O-N 3.24Å; L436-E438 PolarHBondContact O-N 2.91Å; E438-L440 VanDerWaalsContact C-N 3.34Å; E438-L440 PolarHBondContact O-N 3.32Å; E438-L441 WeakPolarHBondContact O-CB 3.48Å; E438-L441 PolarHBondContact O-N 3.24Å; E438-V442 PolarHBondContact O-N 3.35Å
439	P	95.7	Very high	95.2	Very high	56 Å²	56	75 Å²	75	36%	0.364	40%	0.4	S	S	.	.	H	α-helix	trans	-61.6	-38.9	171	-23.9	32.7	0	0	0	113.2	W239 M435 L436 L441 V442 V443	W239-P439 HydrophobicContact CH2-CG 3.98Å; W239-P439 HydrophobicContact CZ2-CG 4.02Å; M435-P439 WeakPolarHBondContact O-CD 3.36Å; L436-P439 WeakPolarHBondContact O-CD 3.4Å; P439-L441 VanDerWaalsContact C-N 3.29Å; P439-L441 PolarHBondContact O-N 2.65Å; P439-V442 PolarHBondContact O-N 3.19Å; P439-V443 WeakPolarHBondContact O-CG2 3.46Å; P439-V443 PolarHBondContact O-N 3.47Å
440	L	96	Very high	95.2	Very high	110 Å²	110	79.6 Å²	79.6	58%	0.576	42%	0.418	S	S	*	.	H	α-helix	trans	-65.5	-32.3	-179.6	-73.1	176	0	0	0	112.3	L436 Q437 E438 V442 V443 A444	L436-L440 WeakPolarHBondContact O-CB 3.33Å; L436-L440 VanDerWaalsContact O-CG 3.23Å; L436-L440 WeakPolarHBondContact O-CG 3.28Å; L436-L440 PolarHBondContact O-N 3.39Å; Q437-L440 PolarHBondContact O-N 3.13Å; E438-L440 VanDerWaalsContact C-N 3.34Å; E438-L440 PolarHBondContact O-N 3.32Å; L440-V442 VanDerWaalsContact C-N 3.34Å; L440-V443 PolarHBondContact O-N 2.9Å; L440-A444 WeakPolarHBondContact O-CB 3.15Å; L440-A444 PolarHBondContact O-N 2.95Å
441	L	95.4	Very high	95.3	Very high	69 Å²	69	84.4 Å²	84.4	36%	0.361	44%	0.439	S	S	.	.	H	α-helix	trans	-61	-44.3	174.3	-171.6	69.2	0	0	0	111	L401 T403 Q437 E438 P439 A444 A445	L401-L441 HydrophobicContact CD2-CD2 4.42Å; T403-L441 HydrophobicContact CG2-CD1 3.94Å; T403-L441 HydrophobicContact CG2-CD2 3.96Å; Q437-L441 WeakPolarHBondContact O-CB 3.22Å; Q437-L441 PolarHBondContact O-N 2.86Å; E438-L441 WeakPolarHBondContact O-CB 3.48Å; E438-L441 PolarHBondContact O-N 3.24Å; P439-L441 VanDerWaalsContact C-N 3.29Å; P439-L441 PolarHBondContact O-N 2.65Å; L441-A444 PolarHBondContact O-N 2.84Å; L441-A445 PolarHBondContact O-N 3.13Å; L441-A445 VanDerWaalsContact O-N 3.1Å
442	V	97	Very high	95.4	Very high	58 Å²	58	84.1 Å²	84.1	35%	0.352	44%	0.44	S	S	.	.	H	α-helix	trans	-65.3	-45.7	175.8	-178.7	0	0	0	0	110.8	L401 E438 P439 L440 A444 A445 F446	L401-V442 HydrophobicContact CD2-CG2 3.56Å; E438-V442 PolarHBondContact O-N 3.35Å; P439-V442 PolarHBondContact O-N 3.19Å; L440-V442 VanDerWaalsContact C-N 3.34Å; V442-A444 VanDerWaalsContact C-N 3.31Å; V442-A444 PolarHBondContact O-N 3.28Å; V442-A445 WeakPolarHBondContact O-CB 3.4Å; V442-A445 PolarHBondContact O-N 3.27Å; V442-F446 HydrophobicContact CG1-CD2 3.84Å; V442-F446 HydrophobicContact CG1-CE2 3.81Å; V442-F446 WeakPolarHBondContact O-CD2 3.12Å; V442-F446 PolarHBondContact O-N 2.89Å
443	V	97.9	Very high	95.8	Very high	90 Å²	90	82.9 Å²	82.9	55%	0.545	44%	0.441	S	S	.	.	H	α-helix	trans	-57.8	-43.9	177	171.7	0	0	0	0	111.1	P439 L440 A445 F446 Y447	P439-V443 WeakPolarHBondContact O-CG2 3.46Å; P439-V443 PolarHBondContact O-N 3.47Å; L440-V443 PolarHBondContact O-N 2.9Å; V443-A445 PolarHBondContact O-N 2.85Å; V443-F446 PolarHBondContact O-N 2.75Å; V443-Y447 VanDerWaalsContact O-CB 3.31Å; V443-Y447 WeakPolarHBondContact O-CB 3.42Å; V443-Y447 PolarHBondContact O-N 3.48Å
444	A	96.9	Very high	96	Very high	47 Å²	47	82.6 Å²	82.6	39%	0.388	44%	0.435	S	S	.	.	H	α-helix	trans	-62.1	-42.1	177.4	0	0	0	0	0	112	L440 L441 V442 Y447 I448	L440-A444 WeakPolarHBondContact O-CB 3.15Å; L440-A444 PolarHBondContact O-N 2.95Å; L441-A444 PolarHBondContact O-N 2.84Å; V442-A444 VanDerWaalsContact C-N 3.31Å; V442-A444 PolarHBondContact O-N 3.28Å; A444-Y447 PolarHBondContact O-N 2.82Å; A444-I448 VanDerWaalsContact O-CG1 3.28Å; A444-I448 WeakPolarHBondContact O-CG1 3.06Å; A444-I448 PolarHBondContact O-N 3.11Å
445	A	96.7	Very high	96.2	Very high	60 Å²	60	84.1 Å²	84.1	50%	0.496	44%	0.442	S	S	.	.	H	α-helix	trans	-61	-46.5	176.9	0	0	0	0	0	112.2	L441 V442 V443 I448 L449	L441-A445 PolarHBondContact O-N 3.13Å; L441-A445 VanDerWaalsContact O-N 3.1Å; V442-A445 WeakPolarHBondContact O-CB 3.4Å; V442-A445 PolarHBondContact O-N 3.27Å; V443-A445 PolarHBondContact O-N 2.85Å; A445-I448 PolarHBondContact O-N 2.72Å; A445-L449 PolarHBondContact O-N 3.04Å
446	F	97.6	Very high	96.5	Very high	125 Å²	125	90.9 Å²	90.9	55%	0.548	47%	0.468	S	S	.	.	H	α-helix	trans	-64.6	-39.9	174.5	-84.2	-81.8	0	0	0	112.2	V442 V443 I448 L449 F450	V442-F446 HydrophobicContact CG1-CD2 3.84Å; V442-F446 HydrophobicContact CG1-CE2 3.81Å; V442-F446 WeakPolarHBondContact O-CD2 3.12Å; V442-F446 PolarHBondContact O-N 2.89Å; V443-F446 PolarHBondContact O-N 2.75Å; F446-I448 VanDerWaalsContact C-N 3.34Å; F446-I448 PolarHBondContact O-N 2.8Å; F446-L449 WeakPolarHBondContact O-CB 3.36Å; F446-L449 PolarHBondContact O-N 2.74Å; F446-F450 VanDerWaalsContact O-CD2 3.25Å; F446-F450 WeakPolarHBondContact O-CD2 3.37Å; F446-F450 PolarHBondContact O-N 3.09Å; F446-F450 VanDerWaalsContact O-N 3.1Å
447	Y	97.9	Very high	96.6	Very high	160 Å²	160	90.9 Å²	90.9	63%	0.627	47%	0.472	S	S	*	.	H	α-helix	trans	-62	-41.4	177.9	-173	-95.9	0	0	0	112.1	V443 A444 L449 F450 F451	V443-Y447 VanDerWaalsContact O-CB 3.31Å; V443-Y447 WeakPolarHBondContact O-CB 3.42Å; V443-Y447 PolarHBondContact O-N 3.48Å; A444-Y447 PolarHBondContact O-N 2.82Å; Y447-L449 VanDerWaalsContact C-N 3.32Å; Y447-L449 PolarHBondContact O-N 2.82Å; Y447-F450 PolarHBondContact O-N 2.87Å; Y447-F451 WeakPolarHBondContact O-CB 3.48Å; Y447-F451 PolarHBondContact O-N 2.74Å
448	I	97.6	Very high	96.7	Very high	107 Å²	107	98.4 Å²	98.4	55%	0.549	50%	0.498	S	S	.	.	H	α-helix	trans	-61.7	-40.4	175.2	-69.6	164.7	0	0	0	111	A444 A445 F446 F451 T452	A444-I448 VanDerWaalsContact O-CG1 3.28Å; A444-I448 WeakPolarHBondContact O-CG1 3.06Å; A444-I448 PolarHBondContact O-N 3.11Å; A445-I448 PolarHBondContact O-N 2.72Å; F446-I448 VanDerWaalsContact C-N 3.34Å; F446-I448 PolarHBondContact O-N 2.8Å; I448-F451 PolarHBondContact O-N 2.96Å; I448-T452 WeakPolarHBondContact O-CB 3.38Å; I448-T452 PolarHBondContact O-N 2.62Å; I448-T452 PolarHBondContact O-OG1 2.79Å
449	L	97.6	Very high	96.7	Very high	102 Å²	102	100.3 Å²	100.3	53%	0.534	51%	0.509	S	S	.	.	H	α-helix	trans	-58.9	-51.5	175.2	177.4	67.1	0	0	0	111.1	A445 F446 Y447 F451 T452 V453	A445-L449 PolarHBondContact O-N 3.04Å; F446-L449 WeakPolarHBondContact O-CB 3.36Å; F446-L449 PolarHBondContact O-N 2.74Å; Y447-L449 VanDerWaalsContact C-N 3.32Å; Y447-L449 PolarHBondContact O-N 2.82Å; L449-F451 PolarHBondContact O-N 3.19Å; L449-T452 WeakPolarHBondContact O-CB 3.48Å; L449-T452 PolarHBondContact O-N 3.02Å; L449-V453 WeakPolarHBondContact O-CG2 3.41Å; L449-V453 PolarHBondContact O-N 2.8Å
450	F	97.5	Very high	96.3	Very high	133 Å²	133	102.8 Å²	102.8	58%	0.583	52%	0.519	S	S	*	.	H	α-helix	trans	-64	-39.1	178.4	-78.1	-73.4	0	0	0	112.5	F446 Y447 T452 V453 I454	F446-F450 VanDerWaalsContact O-CD2 3.25Å; F446-F450 WeakPolarHBondContact O-CD2 3.37Å; F446-F450 PolarHBondContact O-N 3.09Å; F446-F450 VanDerWaalsContact O-N 3.1Å; Y447-F450 PolarHBondContact O-N 2.87Å; F450-T452 VanDerWaalsContact C-N 3.33Å; F450-T452 PolarHBondContact O-N 3.01Å; F450-V453 PolarHBondContact O-N 3Å; F450-I454 VanDerWaalsContact O-CG1 3.32Å; F450-I454 WeakPolarHBondContact O-CG1 3.3Å; F450-I454 PolarHBondContact O-N 3.34Å
451	F	97.6	Very high	96	Very high	106 Å²	106	105.2 Å²	105.2	47%	0.465	53%	0.525	S	S	.	.	H	α-helix	trans	-64.4	-38.7	176	-167.9	-102.6	0	0	0	112	Y447 I448 L449 I454 I455	Y447-F451 WeakPolarHBondContact O-CB 3.48Å; Y447-F451 PolarHBondContact O-N 2.74Å; I448-F451 PolarHBondContact O-N 2.96Å; L449-F451 PolarHBondContact O-N 3.19Å; F451-I454 WeakPolarHBondContact O-CB 3.47Å; F451-I454 PolarHBondContact O-N 3.25Å; F451-I455 HydrophobicContact CD1-CD1 3.68Å; F451-I455 HydrophobicContact CD1-CG1 4.32Å; F451-I455 HydrophobicContact CE1-CD1 3.48Å; F451-I455 VanDerWaalsContact CE1-CD1 3.48Å; F451-I455 HydrophobicContact CE1-CG1 4.15Å; F451-I455 HydrophobicContact CZ-CD1 4.35Å; F451-I455 WeakPolarHBondContact O-CG1 3.35Å; F451-I455 PolarHBondContact O-N 2.89Å
452	T	97.4	Very high	95.8	Very high	78 Å²	78	104.4 Å²	104.4	48%	0.479	53%	0.525	S	S	.	.	H	α-helix	trans	-64.2	-41.6	174.5	-56.3	0	0	0	0	111.2	I448 L449 F450 I455 Y456	I448-T452 WeakPolarHBondContact O-CB 3.38Å; I448-T452 PolarHBondContact O-N 2.62Å; I448-T452 PolarHBondContact O-OG1 2.79Å; L449-T452 WeakPolarHBondContact O-CB 3.48Å; L449-T452 PolarHBondContact O-N 3.02Å; F450-T452 VanDerWaalsContact C-N 3.33Å; F450-T452 PolarHBondContact O-N 3.01Å; T452-I455 PolarHBondContact O-N 2.95Å; T452-Y456 WeakPolarHBondContact O-CB 3.4Å; T452-Y456 PolarHBondContact O-N 2.87Å
453	V	97.5	Very high	95.4	Very high	75 Å²	75	109.7 Å²	109.7	46%	0.455	55%	0.55	S	S	.	.	H	α-helix	trans	-61	-44.9	172.8	172.9	0	0	0	0	110.8	L449 F450 I455 Y456 V457	L449-V453 WeakPolarHBondContact O-CG2 3.41Å; L449-V453 PolarHBondContact O-N 2.8Å; F450-V453 PolarHBondContact O-N 3Å; V453-I455 VanDerWaalsContact C-N 3.33Å; V453-I455 PolarHBondContact O-N 3.05Å; V453-Y456 PolarHBondContact O-N 2.91Å; V453-Y456 VanDerWaalsContact O-N 3.17Å; V453-V457 HydrophobicContact CG1-CG1 4.39Å; V453-V457 WeakPolarHBondContact O-CG2 3.36Å; V453-V457 PolarHBondContact O-N 3.06Å
454	I	97	Very high	95	Very high	93 Å²	93	111.3 Å²	111.3	48%	0.477	56%	0.56	S	S	.	*	H	α-helix	trans	-58	-45.4	176	-70.5	166.2	0	0	0	110.9	F450 F451 V457 R458	F450-I454 VanDerWaalsContact O-CG1 3.32Å; F450-I454 WeakPolarHBondContact O-CG1 3.3Å; F450-I454 PolarHBondContact O-N 3.34Å; F451-I454 WeakPolarHBondContact O-CB 3.47Å; F451-I454 PolarHBondContact O-N 3.25Å; I454-V457 WeakPolarHBondContact O-CG2 3.41Å; I454-R458 WeakPolarHBondContact O-CG 3.32Å; I454-R458 PolarHBondContact O-N 2.94Å
455	I	96.7	Very high	94.5	Very high	77 Å²	77	115.4 Å²	115.4	40%	0.395	57%	0.569	S	S	.	*	H	α-helix	trans	-60.7	-50	175.2	-70	169.8	0	0	0	109.7	F451 T452 V453 V457 R458 L459	F451-I455 HydrophobicContact CD1-CD1 3.68Å; F451-I455 HydrophobicContact CD1-CG1 4.32Å; F451-I455 HydrophobicContact CE1-CD1 3.48Å; F451-I455 VanDerWaalsContact CE1-CD1 3.48Å; F451-I455 HydrophobicContact CE1-CG1 4.15Å; F451-I455 HydrophobicContact CZ-CD1 4.35Å; F451-I455 WeakPolarHBondContact O-CG1 3.35Å; F451-I455 PolarHBondContact O-N 2.89Å; T452-I455 PolarHBondContact O-N 2.95Å; V453-I455 VanDerWaalsContact C-N 3.33Å; V453-I455 PolarHBondContact O-N 3.05Å; I455-V457 PolarHBondContact O-N 2.8Å; I455-R458 PolarHBondContact O-N 3.06Å; I455-L459 HydrophobicContact CG2-CD1 3.68Å; I455-L459 HydrophobicContact CG2-CG 4.21Å; I455-L459 WeakPolarHBondContact O-CG 3.41Å; I455-L459 PolarHBondContact O-N 2.85Å
456	Y	96.4	Very high	94.1	Very high	173 Å²	173	116.6 Å²	116.6	68%	0.678	57%	0.567	S	S	*	*	H	α-helix	trans	-59	-44.9	-176.2	-177	-109.6	0	0	0	112.7	T452 V453 R458 L459	T452-Y456 WeakPolarHBondContact O-CB 3.4Å; T452-Y456 PolarHBondContact O-N 2.87Å; V453-Y456 PolarHBondContact O-N 2.91Å; V453-Y456 VanDerWaalsContact O-N 3.17Å; Y456-R458 PolarHBondContact O-N 2.91Å; Y456-R458 VanDerWaalsContact O-N 3.17Å; Y456-L459 PolarHBondContact O-N 2.91Å
457	V	96	Very high	93.6	Very high	103 Å²	103	115.2 Å²	115.2	62%	0.624	57%	0.571	S	S	*	*	T	Hydrogen-bonded Turn	trans	-71.2	-8	178	-60.1	0	0	0	0	113.9	V453 I454 I455	V453-V457 HydrophobicContact CG1-CG1 4.39Å; V453-V457 WeakPolarHBondContact O-CG2 3.36Å; V453-V457 PolarHBondContact O-N 3.06Å; I454-V457 WeakPolarHBondContact O-CG2 3.41Å; I455-V457 PolarHBondContact O-N 2.8Å
458	R	94.4	Very high	93	Very high	206 Å²	206	109.9 Å²	109.9	78%	0.777	56%	0.56	S	S	*	*	T	Hydrogen-bonded Turn	trans	-101.7	-9.7	176	-65.2	-67.3	-177.8	100.7	1.6	113	I454 I455 Y456	I454-R458 WeakPolarHBondContact O-CG 3.32Å; I454-R458 PolarHBondContact O-N 2.94Å; I455-R458 PolarHBondContact O-N 3.06Å; Y456-R458 PolarHBondContact O-N 2.91Å; Y456-R458 VanDerWaalsContact O-N 3.17Å
459	L	92.9	Very high	92.5	Very high	79 Å²	79	106.2 Å²	106.2	41%	0.414	55%	0.546	S	S	.	.			trans	-92.3	114	176.1	-65.2	170.6	0	0	0	108.9	I455 Y456 F461	I455-L459 HydrophobicContact CG2-CD1 3.68Å; I455-L459 HydrophobicContact CG2-CG 4.21Å; I455-L459 WeakPolarHBondContact O-CG 3.41Å; I455-L459 PolarHBondContact O-N 2.85Å; Y456-L459 PolarHBondContact O-N 2.91Å; L459-F461 HydrophobicContact CB-CD2 4.03Å; L459-F461 HydrophobicContact CB-CE1 4.42Å; L459-F461 HydrophobicContact CB-CE2 3.86Å; L459-F461 HydrophobicContact CB-CG 4.41Å; L459-F461 HydrophobicContact CB-CZ 4.07Å; L459-F461 HydrophobicContact CD1-CE2 3.73Å; L459-F461 HydrophobicContact CD1-CZ 3.69Å; L459-F461 HydrophobicContact CD2-CE1 4.36Å; L459-F461 HydrophobicContact CD2-CZ 4.2Å; L459-F461 HydrophobicContact CG-CE2 4.31Å; L459-F461 HydrophobicContact CG-CZ 4.19Å
460	D	88.5	Confident	92	Very high	108 Å²	108	105.6 Å²	105.6	58%	0.578	54%	0.54	S	S	*	.			trans	-74.6	-40.3	-178.8	60.8	-6.8	0	0	0	112.1	S462 K465	D460-S462 PolarHBondContact O-N 2.89Å; D460-K465 WeakPolarHBondContact OD2-CE 3.27Å; D460-K465 IonicContact OD2-NZ 3.18Å; D460-K465 PolarHBondContact OD2-NZ 2.89Å
461	F	90.1	Very high	91.5	Very high	161 Å²	161	100.6 Å²	100.6	71%	0.706	52%	0.523	S	S	*	.			trans	43.4	18.1	-177.9	-67.6	-33.4	0	0	0	115.5	L459	L459-F461 HydrophobicContact CB-CD2 4.03Å; L459-F461 HydrophobicContact CB-CE1 4.42Å; L459-F461 HydrophobicContact CB-CE2 3.86Å; L459-F461 HydrophobicContact CB-CG 4.41Å; L459-F461 HydrophobicContact CB-CZ 4.07Å; L459-F461 HydrophobicContact CD1-CE2 3.73Å; L459-F461 HydrophobicContact CD1-CZ 3.69Å; L459-F461 HydrophobicContact CD2-CE1 4.36Å; L459-F461 HydrophobicContact CD2-CZ 4.2Å; L459-F461 HydrophobicContact CG-CE2 4.31Å; L459-F461 HydrophobicContact CG-CZ 4.19Å
462	S	90.2	Very high	91.1	Very high	52 Å²	52	102.9 Å²	102.9	36%	0.364	53%	0.529	S	S	.	.			trans	-81.3	123.7	179.7	62.8	0	0	0	0	109.7	D460	D460-S462 PolarHBondContact O-N 2.89Å
463	I	88.5	Confident	90.7	Very high	169 Å²	169	105.9 Å²	105.9	87%	0.867	54%	0.539	S	S	*	.	S	Bend	trans	-72.6	-43.3	176	-59.1	173.8	0	0	0	110.4
464	T	89.6	Confident	90.4	Very high	123 Å²	123	106.2 Å²	106.2	76%	0.755	53%	0.534	S	S	*	.	S	Bend	trans	-121.8	116.7	177.4	50	0	0	0	0	109.7
465	K	86.3	Confident	90.1	Very high	134 Å²	134	102.9 Å²	102.9	58%	0.583	52%	0.518	S	S	*	.			trans	-77.6	128.7	177.3	-65.5	-172.6	176.1	-166.6	0	109.5	D460 P467	D460-K465 WeakPolarHBondContact OD2-CE 3.27Å; D460-K465 IonicContact OD2-NZ 3.18Å; D460-K465 PolarHBondContact OD2-NZ 2.89Å; K465-P467 WeakPolarHBondContact O-CD 3.46Å
466	D	88.7	Confident	89.9	Confident	84 Å²	84	101.8 Å²	101.8	45%	0.449	52%	0.521	S	S	.	.			trans	-85.3	103.4	172.4	175.6	14.3	0	0	0	109.4	A468 A469 E470 R472	D466-A468 PolarHBondContact O-N 3.45Å; D466-A468 WeakPolarHBondContact OD1-CB 3.49Å; D466-A468 PolarHBondContact OD1-N 2.77Å; D466-A469 HydrophobicContact CB-CB 3.96Å; D466-A469 PolarHBondContact O-N 3.13Å; D466-A469 VanDerWaalsContact O-N 3.14Å; D466-A469 WeakPolarHBondContact OD2-CB 3.48Å; D466-A469 PolarHBondContact OD2-N 3.24Å; D466-E470 PolarHBondContact O-N 3.35Å; D466-E470 VanDerWaalsContact O-N 3.14Å; D466-R472 IonicContact OD2-NH2 3.04Å
467	P	86.3	Confident	89.7	Confident	96 Å²	96	97 Å²	97	62%	0.623	51%	0.511	S	S	*	.	H	α-helix	trans	-62.6	-26.3	-179.9	27.3	-35.4	0	0	0	112.3	K465 E470 A471	K465-P467 WeakPolarHBondContact O-CD 3.46Å; P467-E470 PolarHBondContact O-N 3.03Å; P467-A471 WeakPolarHBondContact O-CB 3.07Å; P467-A471 PolarHBondContact O-N 3.4Å
468	A	86.2	Confident	89.5	Confident	49 Å²	49	92.8 Å²	92.8	41%	0.405	49%	0.485	S	S	.	.	H	α-helix	trans	-70.5	-37.8	177	0	0	0	0	0	111.3	D466 R472	D466-A468 PolarHBondContact O-N 3.45Å; D466-A468 WeakPolarHBondContact OD1-CB 3.49Å; D466-A468 PolarHBondContact OD1-N 2.77Å; A468-R472 WeakPolarHBondContact O-CG 3.38Å; A468-R472 PolarHBondContact O-N 3.33Å; A468-R472 VanDerWaalsContact O-N 3.09Å
469	A	87.5	Confident	89.4	Confident	30 Å²	30	83.5 Å²	83.5	25%	0.248	45%	0.451	C	S	.	.	H	α-helix	trans	-65.3	-42.8	172.3	0	0	0	0	0	112.2	D466 R472 M473	D466-A469 HydrophobicContact CB-CB 3.96Å; D466-A469 PolarHBondContact O-N 3.13Å; D466-A469 VanDerWaalsContact O-N 3.14Å; D466-A469 WeakPolarHBondContact OD2-CB 3.48Å; D466-A469 PolarHBondContact OD2-N 3.24Å; A469-R472 PolarHBondContact O-N 3.45Å; A469-M473 WeakPolarHBondContact O-CG 3.28Å; A469-M473 PolarHBondContact O-N 2.97Å
470	E	87.2	Confident	89.4	Confident	88 Å²	88	85.3 Å²	85.3	41%	0.411	46%	0.458	S	S	.	.	H	α-helix	trans	-63.7	-41.9	177.5	-166	-173.4	145.6	0	0	111.9	D466 P467 R472 M473 K474	D466-E470 PolarHBondContact O-N 3.35Å; D466-E470 VanDerWaalsContact O-N 3.14Å; P467-E470 PolarHBondContact O-N 3.03Å; E470-R472 PolarHBondContact O-N 3.46Å; E470-M473 PolarHBondContact O-N 3.45Å; E470-K474 WeakPolarHBondContact O-CG 3.48Å; E470-K474 PolarHBondContact O-N 3.34Å; E470-K474 WeakPolarHBondContact OE1-CE 3.48Å; E470-K474 IonicContact OE1-NZ 3.79Å; E470-K474 PolarHBondContact OE1-NZ 2.95Å
471	A	87.2	Confident	89.6	Confident	28 Å²	28	84 Å²	84	23%	0.231	45%	0.448	C	S	.	.	H	α-helix	trans	-59.9	-44.6	174	0	0	0	0	0	111.6	P467 M473 K474 V475	P467-A471 WeakPolarHBondContact O-CB 3.07Å; P467-A471 PolarHBondContact O-N 3.4Å; A471-M473 VanDerWaalsContact C-N 3.32Å; A471-M473 PolarHBondContact O-N 2.95Å; A471-K474 PolarHBondContact O-N 2.61Å; A471-V475 VanDerWaalsContact O-CG2 3.31Å; A471-V475 WeakPolarHBondContact O-CG2 3.47Å; A471-V475 PolarHBondContact O-N 2.82Å
472	R	88.9	Confident	89.8	Confident	155 Å²	155	76.3 Å²	76.3	59%	0.585	41%	0.414	S	S	*	.	H	α-helix	trans	-57.9	-42.2	174.2	-72.9	-171.3	-58.8	-91.3	3	112.2	D466 A468 A469 E470 V475 A476	D466-R472 IonicContact OD2-NH2 3.04Å; A468-R472 WeakPolarHBondContact O-CG 3.38Å; A468-R472 PolarHBondContact O-N 3.33Å; A468-R472 VanDerWaalsContact O-N 3.09Å; A469-R472 PolarHBondContact O-N 3.45Å; E470-R472 PolarHBondContact O-N 3.46Å; R472-V475 PolarHBondContact O-N 3.36Å; R472-A476 WeakPolarHBondContact O-CB 3.36Å; R472-A476 PolarHBondContact O-N 2.85Å
473	M	89.7	Confident	89.9	Confident	140 Å²	140	76.3 Å²	76.3	69%	0.69	41%	0.41	S	S	*	.	H	α-helix	trans	-66	-40.2	177.4	-68.1	177.4	73.7	0	0	112.5	A469 E470 A471 A476 C477	A469-M473 WeakPolarHBondContact O-CG 3.28Å; A469-M473 PolarHBondContact O-N 2.97Å; E470-M473 PolarHBondContact O-N 3.45Å; A471-M473 VanDerWaalsContact C-N 3.32Å; A471-M473 PolarHBondContact O-N 2.95Å; M473-A476 PolarHBondContact O-N 2.97Å; M473-C477 WeakPolarHBondContact O-CB 3.41Å; M473-C477 PolarHBondContact O-N 2.88Å
474	K	90.4	Very high	90.1	Very high	83 Å²	83	72.5 Å²	72.5	36%	0.361	40%	0.395	S	S	.	.	H	α-helix	trans	-63.5	-45.1	175.1	-73.3	173.9	-175.1	163.6	0	111.5	E470 A471 C477 I478 E540	E470-K474 WeakPolarHBondContact O-CG 3.48Å; E470-K474 PolarHBondContact O-N 3.34Å; E470-K474 WeakPolarHBondContact OE1-CE 3.48Å; E470-K474 IonicContact OE1-NZ 3.79Å; E470-K474 PolarHBondContact OE1-NZ 2.95Å; A471-K474 PolarHBondContact O-N 2.61Å; K474-C477 PolarHBondContact O-N 3.16Å; K474-I478 VanDerWaalsContact O-CG1 3.27Å; K474-I478 WeakPolarHBondContact O-CG1 3.41Å; K474-I478 PolarHBondContact O-N 2.89Å; K474-E540 HydrophobicContact CB-CG 4.46Å; K474-E540 WeakPolarHBondContact CD-OE2 3.38Å
475	V	91.4	Very high	90.4	Very high	23 Å²	23	67.6 Å²	67.6	14%	0.139	36%	0.364	C	S	.	.	H	α-helix	trans	-58.8	-49.8	176.2	171.3	0	0	0	0	110.4	A471 R472 C477 I478 T479 L537 E540 L544	A471-V475 VanDerWaalsContact O-CG2 3.31Å; A471-V475 WeakPolarHBondContact O-CG2 3.47Å; A471-V475 PolarHBondContact O-N 2.82Å; R472-V475 PolarHBondContact O-N 3.36Å; V475-C477 VanDerWaalsContact C-N 3.35Å; V475-C477 PolarHBondContact O-N 2.78Å; V475-I478 PolarHBondContact O-N 2.91Å; V475-I478 VanDerWaalsContact O-N 3.16Å; V475-T479 WeakPolarHBondContact O-CB 3.36Å; V475-T479 PolarHBondContact O-N 3.13Å; V475-T479 PolarHBondContact O-OG1 3.4Å; V475-T479 VanDerWaalsContact O-OG1 3.06Å; V475-L537 HydrophobicContact CG1-CD2 4.04Å; V475-E540 HydrophobicContact CG2-CB 4.02Å; V475-L544 HydrophobicContact CG1-CD1 3.78Å
476	A	91	Very high	90.7	Very high	54 Å²	54	61.2 Å²	61.2	45%	0.446	34%	0.336	S	S	.	.	H	α-helix	trans	-57.1	-44.8	177.2	0	0	0	0	0	112.7	R472 M473 I478 T479 E480	R472-A476 WeakPolarHBondContact O-CB 3.36Å; R472-A476 PolarHBondContact O-N 2.85Å; M473-A476 PolarHBondContact O-N 2.97Å; A476-I478 PolarHBondContact O-N 2.89Å; A476-T479 PolarHBondContact O-N 2.96Å; A476-E480 WeakPolarHBondContact O-CG 3.49Å; A476-E480 PolarHBondContact O-N 3Å
477	C	92.1	Very high	90.8	Very high	71 Å²	71	61.4 Å²	61.4	48%	0.48	34%	0.337	S	S	.	.	H	α-helix	trans	-61.5	-41.1	177.1	-179.3	0	0	0	0	112.7	M473 K474 V475 Q481	M473-C477 WeakPolarHBondContact O-CB 3.41Å; M473-C477 PolarHBondContact O-N 2.88Å; K474-C477 PolarHBondContact O-N 3.16Å; V475-C477 VanDerWaalsContact C-N 3.35Å; V475-C477 PolarHBondContact O-N 2.78Å; C477-Q481 WeakPolarHBondContact O-CG 3.17Å; C477-Q481 PolarHBondContact O-N 2.96Å; C477-Q481 PolarHBondContact SG-NE2 3.33Å
478	I	92.7	Very high	91.2	Very high	15 Å²	15	63 Å²	63	8%	0.077	33%	0.334	C	S	.	.	H	α-helix	trans	-69.2	-41.9	177.5	-63.2	161.7	0	0	0	110.5	K474 V475 A476 E480 Q481 V482 L533 R536 L537 E540	K474-I478 VanDerWaalsContact O-CG1 3.27Å; K474-I478 WeakPolarHBondContact O-CG1 3.41Å; K474-I478 PolarHBondContact O-N 2.89Å; V475-I478 PolarHBondContact O-N 2.91Å; V475-I478 VanDerWaalsContact O-N 3.16Å; A476-I478 PolarHBondContact O-N 2.89Å; I478-E480 PolarHBondContact O-N 3.4Å; I478-Q481 WeakPolarHBondContact O-CB 3.41Å; I478-Q481 PolarHBondContact O-N 2.96Å; I478-V482 HydrophobicContact CG2-CG2 4.48Å; I478-V482 WeakPolarHBondContact O-CG2 3.19Å; I478-V482 PolarHBondContact O-N 2.85Å; I478-L533 HydrophobicContact CG2-CB 3.9Å; I478-L533 HydrophobicContact CG2-CD2 4.18Å; I478-R536 HydrophobicContact CD1-CB 3.85Å; I478-L537 HydrophobicContact CB-CD2 3.87Å; I478-L537 HydrophobicContact CB-CG 4.25Å; I478-L537 HydrophobicContact CD1-CD2 4.35Å; I478-L537 HydrophobicContact CG2-CD1 4.15Å; I478-L537 HydrophobicContact CG2-CD2 3.76Å; I478-L537 HydrophobicContact CG2-CG 3.56Å; I478-E540 HydrophobicContact CD1-CG 4.25Å
479	T	91.6	Very high	91.5	Very high	11 Å²	11	60.7 Å²	60.7	7%	0.067	32%	0.315	C	S	.	.	H	α-helix	trans	-59.2	-45.6	177.8	-64.1	0	0	0	0	112.3	V475 A476 Q481 V482 L483 L607	V475-T479 WeakPolarHBondContact O-CB 3.36Å; V475-T479 PolarHBondContact O-N 3.13Å; V475-T479 PolarHBondContact O-OG1 3.4Å; V475-T479 VanDerWaalsContact O-OG1 3.06Å; A476-T479 PolarHBondContact O-N 2.96Å; T479-Q481 VanDerWaalsContact C-N 3.3Å; T479-Q481 PolarHBondContact O-N 3.21Å; T479-V482 WeakPolarHBondContact O-CB 3.49Å; T479-V482 PolarHBondContact O-N 2.83Å; T479-V482 VanDerWaalsContact O-N 3.09Å; T479-L483 PolarHBondContact O-N 2.66Å; T479-L607 HydrophobicContact CG2-CB 3.62Å; T479-L607 HydrophobicContact CG2-CG 4.5Å
480	E	92.7	Very high	91.6	Very high	118 Å²	118	59.8 Å²	59.8	55%	0.551	31%	0.306	S	S	*	.	H	α-helix	trans	-59.1	-39	175.6	-76.7	-66.6	165.4	0	0	112.7	A476 I478 L483 T484	A476-E480 WeakPolarHBondContact O-CG 3.49Å; A476-E480 PolarHBondContact O-N 3Å; I478-E480 PolarHBondContact O-N 3.4Å; E480-L483 PolarHBondContact O-N 2.83Å; E480-T484 WeakPolarHBondContact O-CB 3.49Å; E480-T484 PolarHBondContact O-N 3.09Å; E480-T484 PolarHBondContact O-OG1 2.86Å
481	Q	93.9	Very high	91.8	Very high	79 Å²	79	57.1 Å²	57.1	37%	0.369	30%	0.302	S	S	.	.	H	α-helix	trans	-66.3	-41.9	174.4	-69.1	172.8	32.7	0	0	111.4	C477 I478 T479 T484 L485 L533	C477-Q481 WeakPolarHBondContact O-CG 3.17Å; C477-Q481 PolarHBondContact O-N 2.96Å; C477-Q481 PolarHBondContact SG-NE2 3.33Å; I478-Q481 WeakPolarHBondContact O-CB 3.41Å; I478-Q481 PolarHBondContact O-N 2.96Å; T479-Q481 VanDerWaalsContact C-N 3.3Å; T479-Q481 PolarHBondContact O-N 3.21Å; Q481-T484 PolarHBondContact O-N 3.4Å; Q481-L485 VanDerWaalsContact O-CG 3.3Å; Q481-L485 WeakPolarHBondContact O-CG 3.4Å; Q481-L485 PolarHBondContact O-N 3.03Å; Q481-L533 HydrophobicContact CB-CD1 3.58Å; Q481-L533 HydrophobicContact CB-CD2 4.43Å
482	V	93	Very high	92.1	Very high	0 Å²	0	56.5 Å²	56.5	0%	0	30%	0.295	C	S	.	.	H	α-helix	trans	-60.9	-47.5	175.2	173.4	0	0	0	0	110.5	I478 T479 T484 L485 V486 I530 L533 V548 M551 L607	I478-V482 HydrophobicContact CG2-CG2 4.48Å; I478-V482 WeakPolarHBondContact O-CG2 3.19Å; I478-V482 PolarHBondContact O-N 2.85Å; T479-V482 WeakPolarHBondContact O-CB 3.49Å; T479-V482 PolarHBondContact O-N 2.83Å; T479-V482 VanDerWaalsContact O-N 3.09Å; V482-T484 VanDerWaalsContact C-N 3.32Å; V482-T484 PolarHBondContact O-N 2.73Å; V482-L485 PolarHBondContact O-N 2.78Å; V482-V486 HydrophobicContact CG1-CG2 4.11Å; V482-V486 VanDerWaalsContact O-CG2 3.29Å; V482-V486 WeakPolarHBondContact O-CG2 3.07Å; V482-V486 PolarHBondContact O-N 3.44Å; V482-I530 HydrophobicContact CG1-CG2 4.5Å; V482-L533 HydrophobicContact CG2-CB 3.72Å; V482-L533 HydrophobicContact CG2-CD1 3.78Å; V482-L533 HydrophobicContact CG2-CG 4.43Å; V482-V548 HydrophobicContact CG1-CG1 4.21Å; V482-V548 HydrophobicContact CG1-CG2 4.02Å; V482-M551 HydrophobicContact CG1-CE 4.03Å; V482-L607 HydrophobicContact CG1-CD1 4.42Å
483	L	92.8	Very high	92.3	Very high	52 Å²	52	49.3 Å²	49.3	27%	0.272	27%	0.268	S	S	.	.	H	α-helix	trans	-56.3	-46.4	177.9	-178.7	61.7	0	0	0	111.4	T479 E480 L485 V486 N487 L604	T479-L483 PolarHBondContact O-N 2.66Å; E480-L483 PolarHBondContact O-N 2.83Å; L483-L485 PolarHBondContact O-N 2.94Å; L483-V486 PolarHBondContact O-N 3.31Å; L483-N487 WeakPolarHBondContact O-CB 3.45Å; L483-N487 PolarHBondContact O-N 3.06Å; L483-N487 PolarHBondContact O-ND2 2.82Å; L483-L604 HydrophobicContact CD1-CB 3.95Å; L483-L604 HydrophobicContact CD1-CD1 4.09Å; L483-L604 HydrophobicContact CD1-CD2 3.89Å; L483-L604 HydrophobicContact CD1-CG 4.18Å
484	T	93.9	Very high	92.4	Very high	89 Å²	89	50.6 Å²	50.6	55%	0.546	27%	0.265	S	S	.	.	H	α-helix	trans	-59.5	-45.7	177.1	-59.4	0	0	0	0	111.9	E480 Q481 V482 K488	E480-T484 WeakPolarHBondContact O-CB 3.49Å; E480-T484 PolarHBondContact O-N 3.09Å; E480-T484 PolarHBondContact O-OG1 2.86Å; Q481-T484 PolarHBondContact O-N 3.4Å; V482-T484 VanDerWaalsContact C-N 3.32Å; V482-T484 PolarHBondContact O-N 2.73Å; T484-K488 PolarHBondContact O-N 2.84Å
485	L	94.4	Very high	92.4	Very high	21 Å²	21	51.2 Å²	51.2	11%	0.11	27%	0.269	C	S	.	.	H	α-helix	trans	-70.2	-37.1	-179.4	-66.9	177.4	0	0	0	112.7	Q481 V482 L483 K488 R489 L526 E529 I530 L533	Q481-L485 VanDerWaalsContact O-CG 3.3Å; Q481-L485 WeakPolarHBondContact O-CG 3.4Å; Q481-L485 PolarHBondContact O-N 3.03Å; V482-L485 PolarHBondContact O-N 2.78Å; L483-L485 PolarHBondContact O-N 2.94Å; L485-K488 WeakPolarHBondContact O-CB 3.44Å; L485-K488 PolarHBondContact O-N 2.87Å; L485-R489 WeakPolarHBondContact O-CB 3.15Å; L485-R489 PolarHBondContact O-N 3.45Å; L485-L526 HydrophobicContact CD2-CD2 3.82Å; L485-E529 HydrophobicContact CD1-CB 3.99Å; L485-E529 HydrophobicContact CD1-CG 3.77Å; L485-E529 WeakPolarHBondContact CD2-OE2 3.38Å; L485-I530 HydrophobicContact CB-CD1 3.97Å; L485-I530 HydrophobicContact CB-CG1 3.69Å; L485-I530 HydrophobicContact CD1-CG1 3.92Å; L485-I530 HydrophobicContact CG-CG1 4.49Å; L485-L533 HydrophobicContact CD1-CD1 3.67Å
486	V	92.5	Very high	92.5	Very high	0 Å²	0	50.4 Å²	50.4	0%	0	26%	0.263	C	S	.	.	H	α-helix	trans	-66.4	-43.5	175.7	174.9	0	0	0	0	110.8	V482 L483 K488 R489 I490 I530 M551 I600 L604	V482-V486 HydrophobicContact CG1-CG2 4.11Å; V482-V486 VanDerWaalsContact O-CG2 3.29Å; V482-V486 WeakPolarHBondContact O-CG2 3.07Å; V482-V486 PolarHBondContact O-N 3.44Å; L483-V486 PolarHBondContact O-N 3.31Å; V486-K488 VanDerWaalsContact C-N 3.3Å; V486-K488 PolarHBondContact O-N 2.83Å; V486-R489 WeakPolarHBondContact O-CB 3.38Å; V486-R489 PolarHBondContact O-N 3.01Å; V486-R489 VanDerWaalsContact O-N 3.09Å; V486-I490 HydrophobicContact CG1-CD1 4.13Å; V486-I490 HydrophobicContact CG1-CG1 4.5Å; V486-I490 WeakPolarHBondContact O-CG1 3.35Å; V486-I490 PolarHBondContact O-N 2.9Å; V486-I530 HydrophobicContact CG2-CD1 3.89Å; V486-M551 HydrophobicContact CG1-SD 4.3Å; V486-M551 HydrophobicContact CG2-CE 3.35Å; V486-M551 HydrophobicContact CG2-CG 4.43Å; V486-M551 HydrophobicContact CG2-SD 3.53Å; V486-M551 VanDerWaalsContact CG2-SD 3.53Å; V486-I600 HydrophobicContact CG1-CG2 3.94Å; V486-L604 HydrophobicContact CB-CD1 4.42Å; V486-L604 HydrophobicContact CB-CD2 4.07Å; V486-L604 HydrophobicContact CG1-CD1 3.71Å; V486-L604 HydrophobicContact CG1-CD2 3.99Å; V486-L604 HydrophobicContact CG1-CG 4.35Å; V486-L604 HydrophobicContact CG2-CD2 4.21Å
487	N	92	Very high	92.5	Very high	87 Å²	87	49.5 Å²	49.5	47%	0.465	25%	0.251	S	S	.	.	H	α-helix	trans	-59.1	-42.1	174.2	-81.4	-33.5	0	0	0	111.8	L483 R489 I490 G491	L483-N487 WeakPolarHBondContact O-CB 3.45Å; L483-N487 PolarHBondContact O-N 3.06Å; L483-N487 PolarHBondContact O-ND2 2.82Å; N487-R489 VanDerWaalsContact C-N 3.29Å; N487-R489 PolarHBondContact O-N 2.79Å; N487-I490 PolarHBondContact O-N 2.84Å; N487-G491 PolarHBondContact O-N 3.4Å
488	K	93.6	Very high	92.5	Very high	130 Å²	130	51.1 Å²	51.1	57%	0.565	25%	0.252	S	S	*	.	H	α-helix	trans	-60.4	-39.2	174.4	-170.2	171.3	175.6	-176.7	0	112.1	T484 L485 V486 G491 L492 L526	T484-K488 PolarHBondContact O-N 2.84Å; L485-K488 WeakPolarHBondContact O-CB 3.44Å; L485-K488 PolarHBondContact O-N 2.87Å; V486-K488 VanDerWaalsContact C-N 3.3Å; V486-K488 PolarHBondContact O-N 2.83Å; K488-G491 PolarHBondContact O-N 2.94Å; K488-L492 PolarHBondContact O-N 3.41Å; K488-L526 HydrophobicContact CB-CD1 4.38Å; K488-L526 HydrophobicContact CD-CD2 3.91Å; K488-L526 HydrophobicContact CG-CD1 4.12Å; K488-L526 HydrophobicContact CG-CD2 4.35Å
489	R	92.4	Very high	92.4	Very high	1 Å²	1	50.8 Å²	50.8	0%	0.004	25%	0.25	C	S	.	.	H	α-helix	trans	-69.9	-39.4	177.7	-166.9	-179.4	63.6	-178.7	-4	112.9	L485 V486 N487 G491 L492 Y493 L526 M551 D555	L485-R489 WeakPolarHBondContact O-CB 3.15Å; L485-R489 PolarHBondContact O-N 3.45Å; V486-R489 WeakPolarHBondContact O-CB 3.38Å; V486-R489 PolarHBondContact O-N 3.01Å; V486-R489 VanDerWaalsContact O-N 3.09Å; N487-R489 VanDerWaalsContact C-N 3.29Å; N487-R489 PolarHBondContact O-N 2.79Å; R489-G491 VanDerWaalsContact C-N 3.31Å; R489-L492 WeakPolarHBondContact O-CB 3.38Å; R489-L492 PolarHBondContact O-N 2.95Å; R489-Y493 HydrophobicContact CG-CE2 4.37Å; R489-Y493 WeakPolarHBondContact O-CD2 3.47Å; R489-Y493 PolarHBondContact O-N 2.87Å; R489-L526 HydrophobicContact CB-CD1 3.94Å; R489-L526 HydrophobicContact CG-CD1 4.41Å; R489-M551 PolarHBondContact NH2-SD 3.02Å; R489-D555 VanDerWaalsContact CD-CG 3.5Å; R489-D555 WeakPolarHBondContact CD-OD1 3.41Å; R489-D555 WeakPolarHBondContact CD-OD2 3.48Å; R489-D555 IonicContact CZ-OD1 3.34Å; R489-D555 IonicContact CZ-OD2 3.77Å; R489-D555 IonicContact NE-OD1 2.61Å; R489-D555 PolarHBondContact NE-OD1 3.05Å; R489-D555 IonicContact NE-OD2 3.45Å; R489-D555 PolarHBondContact NE-OD2 2.97Å; R489-D555 VanDerWaalsContact NH1-CB 3.28Å; R489-D555 IonicContact NH1-OD1 3.76Å; R489-D555 IonicContact NH1-OD2 3.66Å; R489-D555 PolarHBondContact NH1-OD2 3.18Å; R489-D555 IonicContact NH2-OD1 3.52Å; R489-D555 PolarHBondContact NH2-OD1 3.49Å; R489-D555 IonicContact NH2-OD2 2.94Å
490	I	90.3	Very high	92.4	Very high	11 Å²	11	50.4 Å²	50.4	6%	0.056	25%	0.248	C	C	.	.	H	α-helix	trans	-63.1	-41.3	171.9	-66.3	171.5	0	0	0	110.2	V486 N487 L492 Y493 R494 I600	V486-I490 HydrophobicContact CG1-CD1 4.13Å; V486-I490 HydrophobicContact CG1-CG1 4.5Å; V486-I490 WeakPolarHBondContact O-CG1 3.35Å; V486-I490 PolarHBondContact O-N 2.9Å; N487-I490 PolarHBondContact O-N 2.84Å; I490-L492 VanDerWaalsContact C-N 3.31Å; I490-L492 PolarHBondContact O-N 2.98Å; I490-Y493 PolarHBondContact O-N 3.47Å; I490-R494 PolarHBondContact O-N 2.91Å; I490-I600 HydrophobicContact CD1-CG2 4.35Å
491	G	92.2	Very high	92.3	Very high	32 Å²	32	48.2 Å²	48.2	33%	0.33	24%	0.24	S	C	.	.	H	α-helix	trans	-58.8	-40.1	173.4	0	0	0	0	0	113.1	N487 K488 R489 Y493 R494 H495	N487-G491 PolarHBondContact O-N 3.4Å; K488-G491 PolarHBondContact O-N 2.94Å; R489-G491 VanDerWaalsContact C-N 3.31Å; G491-Y493 VanDerWaalsContact C-N 3.31Å; G491-Y493 PolarHBondContact O-N 3.41Å; G491-R494 PolarHBondContact O-N 2.94Å; G491-H495 PolarHBondContact O-N 3.12Å
492	L	93.6	Very high	92.1	Very high	14 Å²	14	50 Å²	50	7%	0.073	24%	0.243	C	C	.	.	H	α-helix	trans	-59.5	-39	176.2	-173.4	66.3	0	0	0	112.3	K488 R489 I490 H495 F496 L519 E522 H523	K488-L492 PolarHBondContact O-N 3.41Å; R489-L492 WeakPolarHBondContact O-CB 3.38Å; R489-L492 PolarHBondContact O-N 2.95Å; I490-L492 VanDerWaalsContact C-N 3.31Å; I490-L492 PolarHBondContact O-N 2.98Å; L492-H495 PolarHBondContact O-N 3.11Å; L492-F496 WeakPolarHBondContact O-CB 3.33Å; L492-F496 PolarHBondContact O-N 3.33Å; L492-L519 HydrophobicContact CD2-CD1 3.66Å; L492-L519 HydrophobicContact CG-CD1 3.58Å; L492-E522 HydrophobicContact CD1-CB 4.04Å; L492-E522 WeakPolarHBondContact CD1-OE2 3.33Å; L492-E522 HydrophobicContact CD2-CB 3.69Å; L492-H523 HydrophobicContact CD2-CB 4.01Å
493	Y	92.9	Very high	92.1	Very high	5 Å²	5	50.6 Å²	50.6	2%	0.02	25%	0.246	C	C	.	.	H	α-helix	trans	-66.5	-41.9	175.5	-58	-40.9	0	0	0	112.8	R489 I490 G491 H495 F496 D497 L519 H523 D555 V558 K559 V562	R489-Y493 HydrophobicContact CG-CE2 4.37Å; R489-Y493 WeakPolarHBondContact O-CD2 3.47Å; R489-Y493 PolarHBondContact O-N 2.87Å; I490-Y493 PolarHBondContact O-N 3.47Å; G491-Y493 VanDerWaalsContact C-N 3.31Å; G491-Y493 PolarHBondContact O-N 3.41Å; Y493-H495 VanDerWaalsContact C-N 3.34Å; Y493-H495 PolarHBondContact O-N 3.08Å; Y493-F496 PolarHBondContact O-N 2.89Å; Y493-D497 VanDerWaalsContact O-CG 3.32Å; Y493-D497 PolarHBondContact O-N 2.92Å; Y493-L519 HydrophobicContact CD1-CD1 3.78Å; Y493-L519 HydrophobicContact CE1-CD1 3.99Å; Y493-H523 AromaticContact CE1-CD2 3.89Å; Y493-H523 AromaticContact CZ-CD2 3.82Å; Y493-H523 PolarHBondContact OH-CD2 3.36Å; Y493-H523 PolarHBondContact OH-NE2 2.77Å; Y493-D555 WeakPolarHBondContact CE2-OD1 3.28Å; Y493-D555 PolarHBondContact OH-O 3.31Å; Y493-D555 PolarHBondContact OH-OD1 2.83Å; Y493-D555 PolarHBondContact OH-OD2 2.87Å; Y493-V558 HydrophobicContact CD2-CG1 3.58Å; Y493-V558 HydrophobicContact CE2-CB 4.03Å; Y493-V558 HydrophobicContact CE2-CG1 3.46Å; Y493-V558 VanDerWaalsContact CE2-CG1 3.46Å; Y493-V558 HydrophobicContact CG-CG1 4.3Å; Y493-K559 HydrophobicContact CE1-CB 4.06Å; Y493-K559 HydrophobicContact CE1-CG 4.48Å; Y493-V562 HydrophobicContact CD1-CB 4.37Å; Y493-V562 HydrophobicContact CD1-CG1 4.29Å; Y493-V562 HydrophobicContact CD1-CG2 3.77Å; Y493-V562 HydrophobicContact CE1-CG2 4.41Å; Y493-V562 HydrophobicContact CG-CG2 3.88Å
494	R	90.4	Very high	91.9	Very high	167 Å²	167	50.9 Å²	50.9	63%	0.63	25%	0.245	S	C	*	.	H	α-helix	trans	-62	-43.6	176.9	-65.2	179.1	-175.2	160.6	3	111	I490 G491 F496 D497 E498	I490-R494 PolarHBondContact O-N 2.91Å; G491-R494 PolarHBondContact O-N 2.94Å; R494-F496 VanDerWaalsContact C-N 3.31Å; R494-F496 PolarHBondContact O-N 3.44Å; R494-D497 WeakPolarHBondContact O-CB 3.46Å; R494-D497 PolarHBondContact O-N 2.88Å; R494-E498 PolarHBondContact O-N 2.77Å; R494-E498 VanDerWaalsContact O-N 3.1Å
495	H	91.5	Very high	91.7	Very high	96 Å²	96	54.5 Å²	54.5	44%	0.444	26%	0.255	S	S	.	.	H	α-helix	trans	-64.7	-36.4	176.7	-170.6	57.2	0	0	0	112.7	G491 L492 Y493 E498 T499	G491-H495 PolarHBondContact O-N 3.12Å; L492-H495 PolarHBondContact O-N 3.11Å; Y493-H495 VanDerWaalsContact C-N 3.34Å; Y493-H495 PolarHBondContact O-N 3.08Å; H495-E498 IonicContact CE1-OE2 2.74Å; H495-E498 IonicContact ND1-OE2 3.59Å; H495-E498 PolarHBondContact ND1-OE2 2.69Å; H495-E498 WeakPolarHBondContact O-CB 3.47Å; H495-E498 PolarHBondContact O-N 3.25Å; H495-T499 PolarHBondContact O-N 2.74Å; H495-T499 VanDerWaalsContact O-N 3.15Å; H495-T499 PolarHBondContact O-OG1 2.75Å
496	F	93.7	Very high	91.4	Very high	5 Å²	5	56.9 Å²	56.9	2%	0.022	27%	0.274	C	S	.	.	H	α-helix	trans	-68.6	-37.7	173.9	-174.9	-105.5	0	0	0	112.2	L492 Y493 R494 E498 T499 V500 L512 K516 L519 V562 A566	L492-F496 WeakPolarHBondContact O-CB 3.33Å; L492-F496 PolarHBondContact O-N 3.33Å; Y493-F496 PolarHBondContact O-N 2.89Å; R494-F496 VanDerWaalsContact C-N 3.31Å; R494-F496 PolarHBondContact O-N 3.44Å; F496-E498 VanDerWaalsContact C-N 3.3Å; F496-E498 PolarHBondContact O-N 3.45Å; F496-T499 CarbonylContact O-C 3.6Å; F496-T499 WeakPolarHBondContact O-CA 3.39Å; F496-T499 VanDerWaalsContact O-CB 3.27Å; F496-T499 WeakPolarHBondContact O-CB 3.34Å; F496-T499 PolarHBondContact O-N 2.82Å; F496-V500 HydrophobicContact CD1-CG2 4.01Å; F496-V500 HydrophobicContact CE1-CG2 3.69Å; F496-V500 HydrophobicContact CZ-CG2 3.99Å; F496-V500 WeakPolarHBondContact O-CG2 3.31Å; F496-V500 PolarHBondContact O-N 2.76Å; F496-L512 HydrophobicContact CZ-CD1 4.42Å; F496-K516 HydrophobicContact CE2-CB 3.99Å; F496-K516 HydrophobicContact CZ-CB 4.17Å; F496-L519 HydrophobicContact CB-CB 4.47Å; F496-L519 HydrophobicContact CB-CD1 4.47Å; F496-L519 HydrophobicContact CB-CD2 4.03Å; F496-L519 HydrophobicContact CD1-CD2 3.54Å; F496-L519 HydrophobicContact CD2-CB 4.02Å; F496-L519 HydrophobicContact CD2-CD2 3.97Å; F496-L519 HydrophobicContact CE1-CD2 3.85Å; F496-L519 HydrophobicContact CE2-CD2 4.33Å; F496-L519 HydrophobicContact CG-CB 4.25Å; F496-L519 HydrophobicContact CG-CD2 3.55Å; F496-L519 HydrophobicContact CG-CG 4.39Å; F496-L519 HydrophobicContact CZ-CD2 4.24Å; F496-V562 HydrophobicContact CD1-CG1 3.3Å; F496-V562 HydrophobicContact CE1-CG1 3.81Å; F496-V562 HydrophobicContact CG-CG1 4.3Å; F496-A566 HydrophobicContact CE1-CB 3.77Å; F496-A566 HydrophobicContact CZ-CB 3.79Å
497	D	90.8	Very high	91.2	Very high	36 Å²	36	66.1 Å²	66.1	19%	0.193	31%	0.309	C	S	.	.	H	α-helix	trans	-59.6	-39.3	173.5	-70.4	-35.7	0	0	0	112.1	Y493 R494 T499 V500 N501 R593	Y493-D497 VanDerWaalsContact O-CG 3.32Å; Y493-D497 PolarHBondContact O-N 2.92Å; R494-D497 WeakPolarHBondContact O-CB 3.46Å; R494-D497 PolarHBondContact O-N 2.88Å; D497-T499 VanDerWaalsContact C-N 3.27Å; D497-T499 PolarHBondContact O-N 2.91Å; D497-V500 PolarHBondContact O-N 3.45Å; D497-N501 WeakPolarHBondContact O-CB 3.29Å; D497-N501 VanDerWaalsContact O-CG 3.32Å; D497-N501 PolarHBondContact O-N 2.93Å; D497-N501 PolarHBondContact O-ND2 3.46Å; D497-R593 VanDerWaalsContact CG-NH1 3.33Å; D497-R593 IonicContact OD1-CZ 3.58Å; D497-R593 IonicContact OD1-NH1 2.73Å; D497-R593 PolarHBondContact OD1-NH1 2.97Å; D497-R593 IonicContact OD1-NH2 3.54Å; D497-R593 IonicContact OD2-CZ 3.35Å; D497-R593 IonicContact OD2-NH1 3.15Å; D497-R593 PolarHBondContact OD2-NH1 3.47Å; D497-R593 VanDerWaalsContact OD2-NH1 3.15Å; D497-R593 IonicContact OD2-NH2 2.69Å; D497-R593 PolarHBondContact OD2-NH2 3.45Å
498	E	91	Very high	91.1	Very high	105 Å²	105	65 Å²	65	49%	0.491	30%	0.303	S	S	.	.	H	α-helix	trans	-61.9	-36.5	171.7	-66.9	170.2	172.7	0	0	112.1	R494 H495 F496 N501 R502	R494-E498 PolarHBondContact O-N 2.77Å; R494-E498 VanDerWaalsContact O-N 3.1Å; H495-E498 IonicContact CE1-OE2 2.74Å; H495-E498 IonicContact ND1-OE2 3.59Å; H495-E498 PolarHBondContact ND1-OE2 2.69Å; H495-E498 WeakPolarHBondContact O-CB 3.47Å; H495-E498 PolarHBondContact O-N 3.25Å; F496-E498 VanDerWaalsContact C-N 3.3Å; F496-E498 PolarHBondContact O-N 3.45Å; E498-N501 PolarHBondContact O-N 2.98Å; E498-R502 WeakPolarHBondContact O-CB 3.42Å; E498-R502 WeakPolarHBondContact O-CG 3.38Å; E498-R502 PolarHBondContact O-N 2.84Å; E498-R502 PolarHBondContact O-NE 3.07Å
499	T	91.8	Very high	91	Very high	7 Å²	7	62.2 Å²	62.2	4%	0.043	29%	0.293	C	S	.	.	H	α-helix	trans	-68	-40.9	176.2	-54.2	0	0	0	0	111.2	H495 F496 D497 R502 Y503 T511	H495-T499 PolarHBondContact O-N 2.74Å; H495-T499 VanDerWaalsContact O-N 3.15Å; H495-T499 PolarHBondContact O-OG1 2.75Å; F496-T499 CarbonylContact O-C 3.6Å; F496-T499 WeakPolarHBondContact O-CA 3.39Å; F496-T499 VanDerWaalsContact O-CB 3.27Å; F496-T499 WeakPolarHBondContact O-CB 3.34Å; F496-T499 PolarHBondContact O-N 2.82Å; D497-T499 VanDerWaalsContact C-N 3.27Å; D497-T499 PolarHBondContact O-N 2.91Å; T499-R502 PolarHBondContact O-N 2.85Å; T499-R502 PolarHBondContact OG1-NH2 3.26Å; T499-Y503 PolarHBondContact O-N 2.79Å; T499-T511 HydrophobicContact CG2-CG2 4.19Å
500	V	91.8	Very high	90.9	Very high	3 Å²	3	66.1 Å²	66.1	2%	0.018	32%	0.321	C	S	.	.	H	α-helix	trans	-63.4	-42.1	172.5	176.7	0	0	0	0	111	F496 D497 Y503 K504 L512 A566 A569	F496-V500 HydrophobicContact CD1-CG2 4.01Å; F496-V500 HydrophobicContact CE1-CG2 3.69Å; F496-V500 HydrophobicContact CZ-CG2 3.99Å; F496-V500 WeakPolarHBondContact O-CG2 3.31Å; F496-V500 PolarHBondContact O-N 2.76Å; D497-V500 PolarHBondContact O-N 3.45Å; V500-Y503 WeakPolarHBondContact O-CB 3.47Å; V500-Y503 PolarHBondContact O-N 2.79Å; V500-K504 PolarHBondContact O-N 2.96Å; V500-L512 HydrophobicContact CG2-CD1 3.9Å; V500-A566 HydrophobicContact CG2-CB 3.86Å; V500-A569 HydrophobicContact CG1-CB 3.63Å
501	N	90.4	Very high	90.9	Very high	72 Å²	72	68 Å²	68	39%	0.385	33%	0.333	S	S	.	.	H	α-helix	trans	-65.1	-40.9	176.7	-74.7	-30.9	0	0	0	112.4	D497 E498 K504 Q505	D497-N501 WeakPolarHBondContact O-CB 3.29Å; D497-N501 VanDerWaalsContact O-CG 3.32Å; D497-N501 PolarHBondContact O-N 2.93Å; D497-N501 PolarHBondContact O-ND2 3.46Å; E498-N501 PolarHBondContact O-N 2.98Å; N501-K504 PolarHBondContact O-N 3.21Å; N501-K504 WeakPolarHBondContact OD1-CE 3.26Å; N501-K504 PolarHBondContact OD1-NZ 2.91Å; N501-Q505 PolarHBondContact O-N 2.85Å
502	R	90.2	Very high	90.8	Very high	117 Å²	117	66.4 Å²	66.4	44%	0.442	32%	0.317	S	S	.	.	H	α-helix	trans	-61.2	-43.7	172.2	-78.8	-177.5	-76.6	165	-4.6	111.5	E498 T499 K504 Q505 S506	E498-R502 WeakPolarHBondContact O-CB 3.42Å; E498-R502 WeakPolarHBondContact O-CG 3.38Å; E498-R502 PolarHBondContact O-N 2.84Å; E498-R502 PolarHBondContact O-NE 3.07Å; T499-R502 PolarHBondContact O-N 2.85Å; T499-R502 PolarHBondContact OG1-NH2 3.26Å; R502-K504 VanDerWaalsContact C-N 3.34Å; R502-K504 PolarHBondContact O-N 3.14Å; R502-Q505 PolarHBondContact O-N 3.01Å; R502-S506 PolarHBondContact O-N 2.8Å; R502-S506 PolarHBondContact O-OG 2.91Å; R502-S506 VanDerWaalsContact O-OG 3.09Å
503	Y	92	Very high	90.8	Very high	13 Å²	13	69.8 Å²	69.8	5%	0.051	34%	0.335	C	S	.	.	H	α-helix	trans	-58.2	-42.2	175.5	167.3	-105.5	0	0	0	112.9	T499 V500 Q505 R507 D508 I509 L512 A569 E570 V573	T499-Y503 PolarHBondContact O-N 2.79Å; V500-Y503 WeakPolarHBondContact O-CB 3.47Å; V500-Y503 PolarHBondContact O-N 2.79Å; Y503-Q505 PolarHBondContact O-N 3.45Å; Y503-R507 WeakPolarHBondContact O-CA 3.38Å; Y503-R507 PolarHBondContact O-N 2.67Å; Y503-D508 WeakPolarHBondContact CD2-O 3.49Å; Y503-I509 HydrophobicContact CE2-CB 4.13Å; Y503-I509 HydrophobicContact CE2-CD1 3.72Å; Y503-L512 HydrophobicContact CD1-CD2 3.75Å; Y503-L512 HydrophobicContact CD2-CB 3.96Å; Y503-L512 HydrophobicContact CD2-CD2 4.14Å; Y503-L512 HydrophobicContact CE1-CD2 3.9Å; Y503-L512 HydrophobicContact CE2-CD2 4.28Å; Y503-L512 HydrophobicContact CG-CB 4.03Å; Y503-L512 HydrophobicContact CG-CD1 4.36Å; Y503-L512 HydrophobicContact CG-CD2 3.85Å; Y503-L512 HydrophobicContact CG-CG 4.3Å; Y503-A569 HydrophobicContact CD1-CB 4.49Å; Y503-E570 HydrophobicContact CE1-CG 4.12Å; Y503-V573 HydrophobicContact CD1-CG2 4.3Å; Y503-V573 HydrophobicContact CE1-CB 3.96Å; Y503-V573 HydrophobicContact CE1-CG1 4.44Å; Y503-V573 HydrophobicContact CE1-CG2 3.69Å
504	K	88.6	Confident	90.7	Very high	57 Å²	57	72.9 Å²	72.9	25%	0.248	36%	0.357	C	S	.	.	H	α-helix	trans	-57.8	-29.3	175.6	-72.4	-175.1	-74.8	-171.4	0	112.9	V500 N501 R502 A569 Y582 E586	V500-K504 PolarHBondContact O-N 2.96Å; N501-K504 PolarHBondContact O-N 3.21Å; N501-K504 WeakPolarHBondContact OD1-CE 3.26Å; N501-K504 PolarHBondContact OD1-NZ 2.91Å; R502-K504 VanDerWaalsContact C-N 3.34Å; R502-K504 PolarHBondContact O-N 3.14Å; K504-A569 HydrophobicContact CD-CB 4.37Å; K504-A569 HydrophobicContact CG-CB 4.22Å; K504-Y582 WeakPolarHBondContact CD-OH 3.37Å; K504-Y582 PolarHBondContact NZ-OH 2.9Å; K504-Y582 VanDerWaalsContact NZ-OH 3.12Å; K504-E586 IonicContact NZ-OE1 3.27Å; K504-E586 PolarHBondContact NZ-OE1 3.11Å
505	Q	88.9	Confident	90.8	Very high	165 Å²	165	65.6 Å²	65.6	77%	0.771	33%	0.334	S	S	*	.	H	α-helix	trans	-90.6	-48.5	-180	-63.1	174.3	7.8	0	0	112.6	N501 R502 Y503	N501-Q505 PolarHBondContact O-N 2.85Å; R502-Q505 PolarHBondContact O-N 3.01Å; Y503-Q505 PolarHBondContact O-N 3.45Å
506	S	89.8	Confident	90.9	Very high	72 Å²	72	63.7 Å²	63.7	50%	0.503	32%	0.324	S	S	.	.	H	α-helix	trans	-83.8	-21.8	-173.2	67.9	0	0	0	0	114	R502 D508	R502-S506 PolarHBondContact O-N 2.8Å; R502-S506 PolarHBondContact O-OG 2.91Å; R502-S506 VanDerWaalsContact O-OG 3.09Å; S506-D508 PolarHBondContact O-N 3.36Å; S506-D508 WeakPolarHBondContact OG-CB 3.34Å; S506-D508 PolarHBondContact OG-N 2.93Å
507	R	88.5	Confident	90.9	Very high	193 Å²	193	70.5 Å²	70.5	73%	0.728	35%	0.354	S	S	*	.			trans	58	16.5	-168.5	-53.6	-178	173.3	178.9	-3.1	114	Y503 I509 V573	Y503-R507 WeakPolarHBondContact O-CA 3.38Å; Y503-R507 PolarHBondContact O-N 2.67Å; R507-I509 PolarHBondContact O-N 3.16Å; R507-I509 VanDerWaalsContact O-N 3.14Å; R507-V573 HydrophobicContact CB-CG1 4.27Å; R507-V573 HydrophobicContact CG-CG1 3.94Å
508	D	90	Very high	91	Very high	63 Å²	63	71 Å²	71	34%	0.337	36%	0.36	S	S	.	.			trans	-81	95.4	179	179.1	13.7	0	0	0	111.4	Y503 S506 S510 T511 L512	Y503-D508 WeakPolarHBondContact CD2-O 3.49Å; S506-D508 PolarHBondContact O-N 3.36Å; S506-D508 WeakPolarHBondContact OG-CB 3.34Å; S506-D508 PolarHBondContact OG-N 2.93Å; D508-S510 PolarHBondContact O-N 2.95Å; D508-S510 WeakPolarHBondContact OD1-CA 3.34Å; D508-S510 WeakPolarHBondContact OD1-CB 3.39Å; D508-S510 PolarHBondContact OD1-N 3.04Å; D508-T511 PolarHBondContact O-N 3.4Å; D508-T511 PolarHBondContact OD1-N 2.82Å; D508-T511 VanDerWaalsContact OD2-CB 3.29Å; D508-T511 WeakPolarHBondContact OD2-CB 3.33Å; D508-T511 PolarHBondContact OD2-OG1 2.94Å; D508-L512 PolarHBondContact O-N 3.38Å
509	I	90.1	Very high	91.1	Very high	73 Å²	73	66 Å²	66	37%	0.374	34%	0.337	S	S	.	.	H	α-helix	trans	-65.9	-23.7	178.1	-165.3	61.6	0	0	0	112.9	Y503 R507 L512 N513 E570	Y503-I509 HydrophobicContact CE2-CB 4.13Å; Y503-I509 HydrophobicContact CE2-CD1 3.72Å; R507-I509 PolarHBondContact O-N 3.16Å; R507-I509 VanDerWaalsContact O-N 3.14Å; I509-L512 HydrophobicContact CD1-CD2 4.04Å; I509-L512 PolarHBondContact O-N 3.15Å; I509-N513 WeakPolarHBondContact O-CB 3.34Å; I509-N513 PolarHBondContact O-N 3.22Å; I509-N513 PolarHBondContact O-ND2 2.89Å; I509-N513 VanDerWaalsContact O-ND2 3.17Å; I509-E570 HydrophobicContact CD1-CG 4.14Å
510	S	90.7	Very high	91.2	Very high	82 Å²	82	69.5 Å²	69.5	57%	0.573	35%	0.352	S	S	*	.	H	α-helix	trans	-67.5	-46.6	179.6	-164	0	0	0	0	110.5	D508 L512 N513 S514	D508-S510 PolarHBondContact O-N 2.95Å; D508-S510 WeakPolarHBondContact OD1-CA 3.34Å; D508-S510 WeakPolarHBondContact OD1-CB 3.39Å; D508-S510 PolarHBondContact OD1-N 3.04Å; S510-L512 VanDerWaalsContact C-N 3.33Å; S510-L512 PolarHBondContact O-N 3.25Å; S510-N513 PolarHBondContact O-N 2.91Å; S510-S514 PolarHBondContact O-N 3.17Å; S510-S514 PolarHBondContact O-OG 2.82Å
511	T	89.8	Confident	91.3	Very high	50 Å²	50	73.5 Å²	73.5	31%	0.307	38%	0.377	S	S	.	.	H	α-helix	trans	-62.4	-37.7	175.5	-67.2	0	0	0	0	112.4	T499 D508 S514 G515	T499-T511 HydrophobicContact CG2-CG2 4.19Å; D508-T511 PolarHBondContact O-N 3.4Å; D508-T511 PolarHBondContact OD1-N 2.82Å; D508-T511 VanDerWaalsContact OD2-CB 3.29Å; D508-T511 WeakPolarHBondContact OD2-CB 3.33Å; D508-T511 PolarHBondContact OD2-OG1 2.94Å; T511-S514 WeakPolarHBondContact CA-OG 3.42Å; T511-S514 PolarHBondContact O-OG 3.02Å; T511-G515 PolarHBondContact O-N 2.98Å
512	L	91.1	Very high	91.5	Very high	0 Å²	0	74.1 Å²	74.1	0%	0	38%	0.378	C	S	.	.	H	α-helix	trans	-65.3	-47.1	176	-175.6	68.5	0	0	0	111.5	F496 V500 Y503 D508 I509 S510 S514 G515 K516 E570	F496-L512 HydrophobicContact CZ-CD1 4.42Å; V500-L512 HydrophobicContact CG2-CD1 3.9Å; Y503-L512 HydrophobicContact CD1-CD2 3.75Å; Y503-L512 HydrophobicContact CD2-CB 3.96Å; Y503-L512 HydrophobicContact CD2-CD2 4.14Å; Y503-L512 HydrophobicContact CE1-CD2 3.9Å; Y503-L512 HydrophobicContact CE2-CD2 4.28Å; Y503-L512 HydrophobicContact CG-CB 4.03Å; Y503-L512 HydrophobicContact CG-CD1 4.36Å; Y503-L512 HydrophobicContact CG-CD2 3.85Å; Y503-L512 HydrophobicContact CG-CG 4.3Å; D508-L512 PolarHBondContact O-N 3.38Å; I509-L512 HydrophobicContact CD1-CD2 4.04Å; I509-L512 PolarHBondContact O-N 3.15Å; S510-L512 VanDerWaalsContact C-N 3.33Å; S510-L512 PolarHBondContact O-N 3.25Å; L512-S514 VanDerWaalsContact C-N 3.34Å; L512-S514 PolarHBondContact O-N 3.21Å; L512-G515 PolarHBondContact O-N 3.27Å; L512-K516 WeakPolarHBondContact O-CB 3.29Å; L512-K516 PolarHBondContact O-N 2.94Å; L512-E570 HydrophobicContact CD2-CG 3.46Å; L512-E570 VanDerWaalsContact CD2-CG 3.46Å; L512-E570 WeakPolarHBondContact CD2-OE1 3.26Å
513	N	92.2	Very high	91.7	Very high	85 Å²	85	69 Å²	69	46%	0.455	36%	0.359	S	S	.	.	H	α-helix	trans	-63.3	-39.7	179.1	-78	-35.9	0	0	0	112	I509 S510 K516 K517	I509-N513 WeakPolarHBondContact O-CB 3.34Å; I509-N513 PolarHBondContact O-N 3.22Å; I509-N513 PolarHBondContact O-ND2 2.89Å; I509-N513 VanDerWaalsContact O-ND2 3.17Å; S510-N513 PolarHBondContact O-N 2.91Å; N513-K516 PolarHBondContact O-N 3.42Å; N513-K517 WeakPolarHBondContact O-CB 3.34Å; N513-K517 PolarHBondContact O-N 3.4Å
514	S	91.9	Very high	91.8	Very high	70 Å²	70	75.9 Å²	75.9	49%	0.49	39%	0.389	S	S	.	.	H	α-helix	trans	-65.5	-42.8	174	61.8	0	0	0	0	111.7	S510 T511 L512 K516 K517 S518	S510-S514 PolarHBondContact O-N 3.17Å; S510-S514 PolarHBondContact O-OG 2.82Å; T511-S514 WeakPolarHBondContact CA-OG 3.42Å; T511-S514 PolarHBondContact O-OG 3.02Å; L512-S514 VanDerWaalsContact C-N 3.34Å; L512-S514 PolarHBondContact O-N 3.21Å; S514-K516 VanDerWaalsContact C-N 3.31Å; S514-K516 PolarHBondContact O-N 2.69Å; S514-K517 PolarHBondContact O-N 2.6Å; S514-S518 PolarHBondContact O-N 2.88Å
515	G	92.2	Very high	92.1	Very high	13 Å²	13	75.9 Å²	75.9	13%	0.134	40%	0.4	C	S	.	.	H	α-helix	trans	-60.8	-40.1	175.2	0	0	0	0	0	112.4	T511 L512 S518 L519	T511-G515 PolarHBondContact O-N 2.98Å; L512-G515 PolarHBondContact O-N 3.27Å; G515-S518 PolarHBondContact O-N 3.15Å; G515-L519 WeakPolarHBondContact O-CB 3.42Å; G515-L519 PolarHBondContact O-N 2.81Å
516	K	93	Very high	92.4	Very high	56 Å²	56	68.5 Å²	68.5	24%	0.243	37%	0.365	C	S	.	.	H	α-helix	trans	-65.2	-43.8	177.7	-174.8	177.3	178.4	177.9	0	111.1	F496 L512 N513 S514 L519 E520 L563	F496-K516 HydrophobicContact CE2-CB 3.99Å; F496-K516 HydrophobicContact CZ-CB 4.17Å; L512-K516 WeakPolarHBondContact O-CB 3.29Å; L512-K516 PolarHBondContact O-N 2.94Å; N513-K516 PolarHBondContact O-N 3.42Å; S514-K516 VanDerWaalsContact C-N 3.31Å; S514-K516 PolarHBondContact O-N 2.69Å; K516-L519 PolarHBondContact O-N 2.82Å; K516-E520 WeakPolarHBondContact O-CB 3.36Å; K516-E520 WeakPolarHBondContact O-CG 3.39Å; K516-E520 PolarHBondContact O-N 2.92Å; K516-L563 HydrophobicContact CD-CD2 4.4Å; K516-L563 HydrophobicContact CG-CD2 3.89Å
517	K	93.5	Very high	92.6	Very high	149 Å²	149	67 Å²	67	65%	0.648	35%	0.353	S	S	*	.	H	α-helix	trans	-64	-40.9	176.1	-170.6	178.8	179.4	-177.2	0	112.1	N513 S514 T521	N513-K517 WeakPolarHBondContact O-CB 3.34Å; N513-K517 PolarHBondContact O-N 3.4Å; S514-K517 PolarHBondContact O-N 2.6Å; K517-T521 WeakPolarHBondContact O-CB 3.36Å; K517-T521 PolarHBondContact O-N 3.47Å; K517-T521 PolarHBondContact O-OG1 2.88Å
518	S	92.9	Very high	93	Very high	45 Å²	45	61.8 Å²	61.8	32%	0.315	35%	0.346	S	S	.	.	H	α-helix	trans	-63.9	-50.9	174.6	154.2	0	0	0	0	111.1	S514 G515 E520 T521 E522	S514-S518 PolarHBondContact O-N 2.88Å; G515-S518 PolarHBondContact O-N 3.15Å; S518-E520 VanDerWaalsContact C-N 3.32Å; S518-E520 PolarHBondContact O-N 3.46Å; S518-T521 PolarHBondContact O-N 2.93Å; S518-T521 VanDerWaalsContact O-N 3.15Å; S518-E522 WeakPolarHBondContact O-CB 3.49Å; S518-E522 PolarHBondContact O-N 2.89Å; S518-E522 PolarHBondContact OG-OE1 3.38Å
519	L	93.9	Very high	93.2	Very high	2 Å²	2	63.6 Å²	63.6	1%	0.01	35%	0.353	C	S	.	.	H	α-helix	trans	-51.6	-50.2	174.5	169.4	65.1	0	0	0	111.2	L492 Y493 F496 G515 K516 T521 H523 V562 L563	L492-L519 HydrophobicContact CD2-CD1 3.66Å; L492-L519 HydrophobicContact CG-CD1 3.58Å; Y493-L519 HydrophobicContact CD1-CD1 3.78Å; Y493-L519 HydrophobicContact CE1-CD1 3.99Å; F496-L519 HydrophobicContact CB-CB 4.47Å; F496-L519 HydrophobicContact CB-CD1 4.47Å; F496-L519 HydrophobicContact CB-CD2 4.03Å; F496-L519 HydrophobicContact CD1-CD2 3.54Å; F496-L519 HydrophobicContact CD2-CB 4.02Å; F496-L519 HydrophobicContact CD2-CD2 3.97Å; F496-L519 HydrophobicContact CE1-CD2 3.85Å; F496-L519 HydrophobicContact CE2-CD2 4.33Å; F496-L519 HydrophobicContact CG-CB 4.25Å; F496-L519 HydrophobicContact CG-CD2 3.55Å; F496-L519 HydrophobicContact CG-CG 4.39Å; F496-L519 HydrophobicContact CZ-CD2 4.24Å; G515-L519 WeakPolarHBondContact O-CB 3.42Å; G515-L519 PolarHBondContact O-N 2.81Å; K516-L519 PolarHBondContact O-N 2.82Å; L519-T521 PolarHBondContact O-N 3.4Å; L519-H523 WeakPolarHBondContact O-CB 3.44Å; L519-H523 PolarHBondContact O-N 3.32Å; L519-V562 HydrophobicContact CD2-CG1 3.8Å; L519-L563 HydrophobicContact CD2-CD2 3.84Å
520	E	93.4	Very high	93.4	Very high	79 Å²	79	60.1 Å²	60.1	37%	0.369	34%	0.335	S	S	.	.	H	α-helix	trans	-64.2	-40.2	-178.8	-76.1	176.5	176	0	0	113	K516 S518 K524	K516-E520 WeakPolarHBondContact O-CB 3.36Å; K516-E520 WeakPolarHBondContact O-CG 3.39Å; K516-E520 PolarHBondContact O-N 2.92Å; S518-E520 VanDerWaalsContact C-N 3.32Å; S518-E520 PolarHBondContact O-N 3.46Å; E520-K524 VanDerWaalsContact O-CB 3.22Å; E520-K524 WeakPolarHBondContact O-CB 3.39Å; E520-K524 PolarHBondContact O-N 3.39Å
521	T	94.3	Very high	93.6	Very high	87 Å²	87	58 Å²	58	53%	0.534	32%	0.323	S	S	.	.	H	α-helix	trans	-70.5	-49.5	-178.5	-55.3	0	0	0	0	111.2	K517 S518 L519 K524 A525	K517-T521 WeakPolarHBondContact O-CB 3.36Å; K517-T521 PolarHBondContact O-N 3.47Å; K517-T521 PolarHBondContact O-OG1 2.88Å; S518-T521 PolarHBondContact O-N 2.93Å; S518-T521 VanDerWaalsContact O-N 3.15Å; L519-T521 PolarHBondContact O-N 3.4Å; T521-K524 PolarHBondContact O-N 3.32Å; T521-A525 PolarHBondContact O-N 2.76Å
522	E	93.9	Very high	93.8	Very high	86 Å²	86	59.7 Å²	59.7	40%	0.402	33%	0.329	S	S	.	.	H	α-helix	trans	-68.1	-41.8	179.8	-72	-179.4	-134.7	0	0	111.5	L492 S518 K524 A525 L526	L492-E522 HydrophobicContact CD1-CB 4.04Å; L492-E522 WeakPolarHBondContact CD1-OE2 3.33Å; L492-E522 HydrophobicContact CD2-CB 3.69Å; S518-E522 WeakPolarHBondContact O-CB 3.49Å; S518-E522 PolarHBondContact O-N 2.89Å; S518-E522 PolarHBondContact OG-OE1 3.38Å; E522-K524 VanDerWaalsContact C-N 3.32Å; E522-K524 PolarHBondContact O-N 3.3Å; E522-A525 PolarHBondContact O-N 3.14Å; E522-L526 WeakPolarHBondContact O-CG 3.46Å; E522-L526 PolarHBondContact O-N 3.44Å
523	H	95	Very high	93.9	Very high	10 Å²	10	60 Å²	60	5%	0.046	33%	0.331	C	S	.	.	H	α-helix	trans	-58.2	-46.6	174	-179.5	-82.5	0	0	0	111	L492 Y493 L519 A525 L526 T527 D555 K559	L492-H523 HydrophobicContact CD2-CB 4.01Å; Y493-H523 AromaticContact CE1-CD2 3.89Å; Y493-H523 AromaticContact CZ-CD2 3.82Å; Y493-H523 PolarHBondContact OH-CD2 3.36Å; Y493-H523 PolarHBondContact OH-NE2 2.77Å; L519-H523 WeakPolarHBondContact O-CB 3.44Å; L519-H523 PolarHBondContact O-N 3.32Å; H523-A525 VanDerWaalsContact C-N 3.32Å; H523-A525 PolarHBondContact O-N 3.37Å; H523-L526 PolarHBondContact O-N 3.47Å; H523-T527 PolarHBondContact CE1-OG1 3.15Å; H523-T527 WeakPolarHBondContact O-CB 3.31Å; H523-T527 PolarHBondContact O-N 2.81Å; H523-T527 PolarHBondContact O-OG1 3.48Å; H523-D555 IonicContact CD2-OD2 3.4Å; H523-D555 IonicContact CE1-OD2 2.73Å; H523-D555 IonicContact NE2-OD2 3.78Å; H523-D555 PolarHBondContact NE2-OD2 2.87Å; H523-K559 WeakPolarHBondContact ND1-CD 3.49Å; H523-K559 PolarHBondContact ND1-NZ 2.79Å
524	K	94.8	Very high	94	Very high	157 Å²	157	57.8 Å²	57.8	68%	0.683	32%	0.318	S	S	*	.	H	α-helix	trans	-61.1	-40.6	177.6	-176.2	178.7	179.1	-178.5	0	112.2	E520 T521 E522 S528	E520-K524 VanDerWaalsContact O-CB 3.22Å; E520-K524 WeakPolarHBondContact O-CB 3.39Å; E520-K524 PolarHBondContact O-N 3.39Å; T521-K524 PolarHBondContact O-N 3.32Å; E522-K524 VanDerWaalsContact C-N 3.32Å; E522-K524 PolarHBondContact O-N 3.3Å; K524-S528 WeakPolarHBondContact O-CB 3.43Å; K524-S528 PolarHBondContact O-N 3.49Å
525	A	94.8	Very high	94	Very high	57 Å²	57	57.3 Å²	57.3	47%	0.471	32%	0.315	S	S	.	.	H	α-helix	trans	-63	-49.7	176.5	0	0	0	0	0	111.4	T521 E522 H523 T527 S528 E529	T521-A525 PolarHBondContact O-N 2.76Å; E522-A525 PolarHBondContact O-N 3.14Å; H523-A525 VanDerWaalsContact C-N 3.32Å; H523-A525 PolarHBondContact O-N 3.37Å; A525-T527 PolarHBondContact O-N 2.96Å; A525-S528 WeakPolarHBondContact O-CB 3.3Å; A525-S528 PolarHBondContact O-N 3.01Å; A525-E529 PolarHBondContact O-N 3.34Å
526	L	95	Very high	94	Very high	9 Å²	9	62.9 Å²	62.9	5%	0.047	33%	0.332	C	S	.	.	H	α-helix	trans	-62.8	-42.1	178.3	-66.5	174	0	0	0	112.1	L485 K488 R489 E522 H523 S528 E529 I530	L485-L526 HydrophobicContact CD2-CD2 3.82Å; K488-L526 HydrophobicContact CB-CD1 4.38Å; K488-L526 HydrophobicContact CD-CD2 3.91Å; K488-L526 HydrophobicContact CG-CD1 4.12Å; K488-L526 HydrophobicContact CG-CD2 4.35Å; R489-L526 HydrophobicContact CB-CD1 3.94Å; R489-L526 HydrophobicContact CG-CD1 4.41Å; E522-L526 WeakPolarHBondContact O-CG 3.46Å; E522-L526 PolarHBondContact O-N 3.44Å; H523-L526 PolarHBondContact O-N 3.47Å; L526-S528 VanDerWaalsContact C-N 3.32Å; L526-S528 PolarHBondContact O-N 3.27Å; L526-E529 PolarHBondContact O-N 2.79Å; L526-I530 WeakPolarHBondContact O-CB 3.22Å; L526-I530 VanDerWaalsContact O-CG1 3.25Å; L526-I530 WeakPolarHBondContact O-CG1 3.48Å; L526-I530 PolarHBondContact O-N 2.82Å
527	T	94.9	Very high	93.9	Very high	41 Å²	41	60.2 Å²	60.2	25%	0.252	32%	0.32	S	S	.	.	H	α-helix	trans	-61.1	-41.6	174.9	-62.5	0	0	0	0	111.5	H523 A525 E529 A531	H523-T527 PolarHBondContact CE1-OG1 3.15Å; H523-T527 WeakPolarHBondContact O-CB 3.31Å; H523-T527 PolarHBondContact O-N 2.81Å; H523-T527 PolarHBondContact O-OG1 3.48Å; A525-T527 PolarHBondContact O-N 2.96Å; T527-E529 VanDerWaalsContact C-N 3.31Å; T527-E529 PolarHBondContact O-N 3.36Å; T527-A531 VanDerWaalsContact O-CB 3.29Å; T527-A531 WeakPolarHBondContact O-CB 3.41Å; T527-A531 PolarHBondContact O-N 2.89Å
528	S	95.2	Very high	93.7	Very high	83 Å²	83	60.6 Å²	60.6	58%	0.58	32%	0.322	S	S	*	.	H	α-helix	trans	-64.1	-37.6	176.8	-169.3	0	0	0	0	112.3	K524 A525 L526 L532	K524-S528 WeakPolarHBondContact O-CB 3.43Å; K524-S528 PolarHBondContact O-N 3.49Å; A525-S528 WeakPolarHBondContact O-CB 3.3Å; A525-S528 PolarHBondContact O-N 3.01Å; L526-S528 VanDerWaalsContact C-N 3.32Å; L526-S528 PolarHBondContact O-N 3.27Å; S528-L532 PolarHBondContact O-N 3.39Å; S528-L532 VanDerWaalsContact O-N 3.14Å
529	E	94.7	Very high	93.5	Very high	101 Å²	101	64 Å²	64	47%	0.472	34%	0.341	S	S	.	.	H	α-helix	trans	-72	-43.7	179.4	-158.1	172.7	-147.7	0	0	111.3	L485 A525 L526 T527 A531 L532 L533	L485-E529 HydrophobicContact CD1-CB 3.99Å; L485-E529 HydrophobicContact CD1-CG 3.77Å; L485-E529 WeakPolarHBondContact CD2-OE2 3.38Å; A525-E529 PolarHBondContact O-N 3.34Å; L526-E529 PolarHBondContact O-N 2.79Å; T527-E529 VanDerWaalsContact C-N 3.31Å; T527-E529 PolarHBondContact O-N 3.36Å; E529-A531 VanDerWaalsContact C-N 3.33Å; E529-A531 PolarHBondContact O-N 2.82Å; E529-L532 WeakPolarHBondContact O-CB 3.4Å; E529-L532 PolarHBondContact O-N 2.83Å; E529-L532 VanDerWaalsContact O-N 3.17Å; E529-L533 PolarHBondContact O-N 2.92Å
530	I	94.9	Very high	93.2	Very high	0 Å²	0	67.4 Å²	67.4	0%	0	36%	0.357	C	S	.	.	H	α-helix	trans	-61.3	-40.5	172.6	-66.9	168.2	0	0	0	110.9	V482 L485 V486 L526 L532 L533 Q534 V548 M551 Q552	V482-I530 HydrophobicContact CG1-CG2 4.5Å; L485-I530 HydrophobicContact CB-CD1 3.97Å; L485-I530 HydrophobicContact CB-CG1 3.69Å; L485-I530 HydrophobicContact CD1-CG1 3.92Å; L485-I530 HydrophobicContact CG-CG1 4.49Å; V486-I530 HydrophobicContact CG2-CD1 3.89Å; L526-I530 WeakPolarHBondContact O-CB 3.22Å; L526-I530 VanDerWaalsContact O-CG1 3.25Å; L526-I530 WeakPolarHBondContact O-CG1 3.48Å; L526-I530 PolarHBondContact O-N 2.82Å; I530-L532 VanDerWaalsContact C-N 3.29Å; I530-L532 PolarHBondContact O-N 2.91Å; I530-L533 PolarHBondContact O-N 2.87Å; I530-Q534 WeakPolarHBondContact O-CB 3.37Å; I530-Q534 PolarHBondContact O-N 2.92Å; I530-V548 HydrophobicContact CG2-CG1 3.86Å; I530-M551 HydrophobicContact CG2-CE 3.93Å; I530-Q552 HydrophobicContact CG2-CG 3.89Å
531	A	94.4	Very high	92.6	Very high	39 Å²	39	66.9 Å²	66.9	32%	0.322	37%	0.372	S	S	.	.	H	α-helix	trans	-63.8	-34.9	176.7	0	0	0	0	0	112.2	T527 E529 S535	T527-A531 VanDerWaalsContact O-CB 3.29Å; T527-A531 WeakPolarHBondContact O-CB 3.41Å; T527-A531 PolarHBondContact O-N 2.89Å; E529-A531 VanDerWaalsContact C-N 3.33Å; E529-A531 PolarHBondContact O-N 2.82Å; A531-S535 PolarHBondContact O-N 3.04Å
532	L	94.2	Very high	92.2	Very high	85 Å²	85	63.3 Å²	63.3	45%	0.445	35%	0.351	S	S	.	.	H	α-helix	trans	-67.4	-44.7	173.7	-171.8	150.5	0	0	0	110.8	S528 E529 I530 Q534 S535 R536	S528-L532 PolarHBondContact O-N 3.39Å; S528-L532 VanDerWaalsContact O-N 3.14Å; E529-L532 WeakPolarHBondContact O-CB 3.4Å; E529-L532 PolarHBondContact O-N 2.83Å; E529-L532 VanDerWaalsContact O-N 3.17Å; I530-L532 VanDerWaalsContact C-N 3.29Å; I530-L532 PolarHBondContact O-N 2.91Å; L532-Q534 PolarHBondContact O-N 2.86Å; L532-S535 PolarHBondContact O-N 2.9Å; L532-S535 PolarHBondContact O-OG 3Å; L532-R536 PolarHBondContact O-N 3Å; L532-R536 VanDerWaalsContact O-N 3.12Å
533	L	93.4	Very high	91.8	Very high	5 Å²	5	65 Å²	65	3%	0.026	36%	0.363	C	S	.	.	H	α-helix	trans	-63.2	-39.9	174.4	-65.3	179.6	0	0	0	112.6	I478 Q481 V482 L485 E529 I530 S535 R536 L537	I478-L533 HydrophobicContact CG2-CB 3.9Å; I478-L533 HydrophobicContact CG2-CD2 4.18Å; Q481-L533 HydrophobicContact CB-CD1 3.58Å; Q481-L533 HydrophobicContact CB-CD2 4.43Å; V482-L533 HydrophobicContact CG2-CB 3.72Å; V482-L533 HydrophobicContact CG2-CD1 3.78Å; V482-L533 HydrophobicContact CG2-CG 4.43Å; L485-L533 HydrophobicContact CD1-CD1 3.67Å; E529-L533 PolarHBondContact O-N 2.92Å; I530-L533 PolarHBondContact O-N 2.87Å; L533-S535 VanDerWaalsContact C-N 3.33Å; L533-S535 PolarHBondContact O-N 3.4Å; L533-R536 WeakPolarHBondContact O-CB 3.49Å; L533-R536 PolarHBondContact O-N 3.34Å; L533-R536 VanDerWaalsContact O-N 3.1Å; L533-L537 PolarHBondContact O-N 2.83Å
534	Q	93	Very high	91.5	Very high	39 Å²	39	66 Å²	66	18%	0.182	37%	0.369	C	S	.	.	H	α-helix	trans	-58.8	-43.5	173.6	-173.8	-168	8.4	0	0	111.7	I530 L532 R536 L537 K538 C545 V548 S549	I530-Q534 WeakPolarHBondContact O-CB 3.37Å; I530-Q534 PolarHBondContact O-N 2.92Å; L532-Q534 PolarHBondContact O-N 2.86Å; Q534-R536 VanDerWaalsContact C-N 3.27Å; Q534-R536 PolarHBondContact O-N 2.61Å; Q534-L537 PolarHBondContact O-N 3.29Å; Q534-K538 PolarHBondContact O-N 3.07Å; Q534-C545 HydrophobicContact CG-CB 4.38Å; Q534-C545 PolarHBondContact NE2-O 2.96Å; Q534-C545 VanDerWaalsContact NE2-O 3.13Å; Q534-V548 HydrophobicContact CB-CG1 3.86Å; Q534-V548 HydrophobicContact CG-CB 4.25Å; Q534-V548 HydrophobicContact CG-CG1 3.99Å; Q534-S549 PolarHBondContact NE2-OG 2.87Å
535	S	92.5	Very high	91.3	Very high	61 Å²	61	59.2 Å²	59.2	43%	0.427	34%	0.341	S	S	.	.	H	α-helix	trans	-62.7	-35.2	175.6	74.4	0	0	0	0	112.3	A531 L532 L533 K538 T539	A531-S535 PolarHBondContact O-N 3.04Å; L532-S535 PolarHBondContact O-N 2.9Å; L532-S535 PolarHBondContact O-OG 3Å; L533-S535 VanDerWaalsContact C-N 3.33Å; L533-S535 PolarHBondContact O-N 3.4Å; S535-K538 WeakPolarHBondContact O-CB 3.17Å; S535-K538 PolarHBondContact O-N 3.31Å; S535-T539 PolarHBondContact O-N 2.91Å; S535-T539 PolarHBondContact O-OG1 3.37Å; S535-T539 VanDerWaalsContact O-OG1 3.05Å
536	R	91.5	Very high	91.1	Very high	130 Å²	130	61.9 Å²	61.9	49%	0.491	35%	0.347	S	S	.	.	H	α-helix	trans	-68.2	-43.9	175	-69.8	179.9	180	178.4	1.2	111.7	I478 L532 L533 Q534 K538 T539 E540	I478-R536 HydrophobicContact CD1-CB 3.85Å; L532-R536 PolarHBondContact O-N 3Å; L532-R536 VanDerWaalsContact O-N 3.12Å; L533-R536 WeakPolarHBondContact O-CB 3.49Å; L533-R536 PolarHBondContact O-N 3.34Å; L533-R536 VanDerWaalsContact O-N 3.1Å; Q534-R536 VanDerWaalsContact C-N 3.27Å; Q534-R536 PolarHBondContact O-N 2.61Å; R536-K538 PolarHBondContact O-N 2.98Å; R536-T539 WeakPolarHBondContact O-CB 3.31Å; R536-T539 PolarHBondContact O-N 3.24Å; R536-T539 VanDerWaalsContact O-N 3.08Å; R536-E540 WeakPolarHBondContact O-CG 3.49Å; R536-E540 PolarHBondContact O-N 3.14Å
537	L	90.8	Very high	90.9	Very high	0 Å²	0	67.3 Å²	67.3	0%	0	37%	0.367	C	S	.	.	H	α-helix	trans	-56	-40.6	173	-74.3	172.2	0	0	0	111.8	V475 I478 L533 Q534 E540 G541 S542 C545 V548	V475-L537 HydrophobicContact CG1-CD2 4.04Å; I478-L537 HydrophobicContact CB-CD2 3.87Å; I478-L537 HydrophobicContact CB-CG 4.25Å; I478-L537 HydrophobicContact CD1-CD2 4.35Å; I478-L537 HydrophobicContact CG2-CD1 4.15Å; I478-L537 HydrophobicContact CG2-CD2 3.76Å; I478-L537 HydrophobicContact CG2-CG 3.56Å; L533-L537 PolarHBondContact O-N 2.83Å; Q534-L537 PolarHBondContact O-N 3.29Å; L537-E540 PolarHBondContact O-N 2.88Å; L537-G541 PolarHBondContact O-N 2.82Å; L537-S542 PolarHBondContact O-N 3.12Å; L537-C545 HydrophobicContact CB-CB 3.88Å; L537-V548 HydrophobicContact CD1-CG2 3.81Å
538	K	90.4	Very high	90.8	Very high	156 Å²	156	65.4 Å²	65.4	68%	0.678	36%	0.355	S	S	*	.	H	α-helix	trans	-64.9	-40.8	176.3	-172.1	176.7	-178.3	176.4	0	112.2	Q534 S535 R536 E540 G541 C545	Q534-K538 PolarHBondContact O-N 3.07Å; S535-K538 WeakPolarHBondContact O-CB 3.17Å; S535-K538 PolarHBondContact O-N 3.31Å; R536-K538 PolarHBondContact O-N 2.98Å; K538-E540 VanDerWaalsContact C-N 3.33Å; K538-G541 PolarHBondContact O-N 3.46Å; K538-G541 VanDerWaalsContact O-N 3.14Å; K538-C545 HydrophobicContact CB-CB 4.2Å
539	T	89.3	Confident	90.7	Very high	118 Å²	118	63.1 Å²	63.1	72%	0.724	34%	0.339	S	S	*	.	H	α-helix	trans	-65.6	-35.8	176.3	-56.4	0	0	0	0	112.2	S535 R536 G541	S535-T539 PolarHBondContact O-N 2.91Å; S535-T539 PolarHBondContact O-OG1 3.37Å; S535-T539 VanDerWaalsContact O-OG1 3.05Å; R536-T539 WeakPolarHBondContact O-CB 3.31Å; R536-T539 PolarHBondContact O-N 3.24Å; R536-T539 VanDerWaalsContact O-N 3.08Å; T539-G541 PolarHBondContact O-N 3.34Å
540	E	86.2	Confident	90.6	Very high	72 Å²	72	62.5 Å²	62.5	34%	0.336	34%	0.336	S	S	.	.	T	Hydrogen-bonded Turn	trans	-76.3	-0.7	174.2	-62.1	-64.2	146.8	0	0	113	K474 V475 I478 R536 L537 K538	K474-E540 HydrophobicContact CB-CG 4.46Å; K474-E540 WeakPolarHBondContact CD-OE2 3.38Å; V475-E540 HydrophobicContact CG2-CB 4.02Å; I478-E540 HydrophobicContact CD1-CG 4.25Å; R536-E540 WeakPolarHBondContact O-CG 3.49Å; R536-E540 PolarHBondContact O-N 3.14Å; L537-E540 PolarHBondContact O-N 2.88Å; K538-E540 VanDerWaalsContact C-N 3.33Å
541	G	81.7	Confident	90.5	Very high	68 Å²	68	62.5 Å²	62.5	70%	0.701	34%	0.336	S	S	*	.	T	Hydrogen-bonded Turn	trans	75.1	19.9	177	0	0	0	0	0	114.8	L537 K538 T539	L537-G541 PolarHBondContact O-N 2.82Å; K538-G541 PolarHBondContact O-N 3.46Å; K538-G541 VanDerWaalsContact O-N 3.14Å; T539-G541 PolarHBondContact O-N 3.34Å
542	S	85.4	Confident	90.5	Very high	12 Å²	12	62.1 Å²	62.1	8%	0.084	33%	0.328	C	S	.	.			trans	-83.4	130.4	-179.6	-179.4	0	0	0	0	112.2	L537 L544 C545	L537-S542 PolarHBondContact O-N 3.12Å; S542-L544 PolarHBondContact O-N 2.88Å; S542-L544 VanDerWaalsContact OG-CB 3.29Å; S542-L544 WeakPolarHBondContact OG-CB 3.39Å; S542-L544 VanDerWaalsContact OG-CG 3.3Å; S542-L544 WeakPolarHBondContact OG-CG 3.18Å; S542-L544 PolarHBondContact OG-N 3.48Å; S542-C545 PolarHBondContact O-N 2.71Å; S542-C545 PolarHBondContact O-SG 2.78Å
543	D	85.6	Confident	90.5	Very high	123 Å²	123	64.6 Å²	64.6	66%	0.658	34%	0.335	S	S	*	.	T	Hydrogen-bonded Turn	trans	-64.8	-18.2	170.2	58.7	-20.7	0	0	0	113.1	C545 D546	D543-C545 PolarHBondContact O-N 3.18Å; D543-C545 VanDerWaalsContact O-N 3.12Å; D543-D546 PolarHBondContact O-N 3.38Å; D543-D546 VanDerWaalsContact O-N 3.14Å
544	L	88.6	Confident	90.5	Very high	31 Å²	31	65.3 Å²	65.3	16%	0.162	34%	0.339	C	S	.	.	H	α-helix	trans	-59.9	-20.7	171.9	-56.6	-178.4	0	0	0	112.6	V475 S542 D546 R547 V548 L607	V475-L544 HydrophobicContact CG1-CD1 3.78Å; S542-L544 PolarHBondContact O-N 2.88Å; S542-L544 VanDerWaalsContact OG-CB 3.29Å; S542-L544 WeakPolarHBondContact OG-CB 3.39Å; S542-L544 VanDerWaalsContact OG-CG 3.3Å; S542-L544 WeakPolarHBondContact OG-CG 3.18Å; S542-L544 PolarHBondContact OG-N 3.48Å; L544-D546 PolarHBondContact O-N 2.8Å; L544-R547 WeakPolarHBondContact O-CB 3.28Å; L544-R547 PolarHBondContact O-N 2.72Å; L544-V548 WeakPolarHBondContact O-CG2 3.47Å; L544-V548 PolarHBondContact O-N 2.66Å; L544-L607 HydrophobicContact CB-CD2 3.85Å; L544-L607 HydrophobicContact CD1-CD2 4.4Å; L544-L607 HydrophobicContact CD2-CD2 4Å; L544-L607 HydrophobicContact CG-CD2 4.29Å
545	C	90.4	Very high	90.5	Very high	14 Å²	14	63.5 Å²	63.5	10%	0.095	33%	0.33	C	S	.	.	H	α-helix	trans	-61.5	-29.8	176.3	75.2	0	0	0	0	113	Q534 L537 K538 S542 D543 S549	Q534-C545 HydrophobicContact CG-CB 4.38Å; Q534-C545 PolarHBondContact NE2-O 2.96Å; Q534-C545 VanDerWaalsContact NE2-O 3.13Å; L537-C545 HydrophobicContact CB-CB 3.88Å; K538-C545 HydrophobicContact CB-CB 4.2Å; S542-C545 PolarHBondContact O-N 2.71Å; S542-C545 PolarHBondContact O-SG 2.78Å; D543-C545 PolarHBondContact O-N 3.18Å; D543-C545 VanDerWaalsContact O-N 3.12Å; C545-S549 PolarHBondContact O-N 2.88Å
546	D	90.9	Very high	90.6	Very high	113 Å²	113	62.7 Å²	62.7	60%	0.604	33%	0.327	S	S	*	.	H	α-helix	trans	-74.5	-38.7	177	-70.9	-33.7	0	0	0	111	D543 L544 S549 E550	D543-D546 PolarHBondContact O-N 3.38Å; D543-D546 VanDerWaalsContact O-N 3.14Å; L544-D546 PolarHBondContact O-N 2.8Å; D546-S549 WeakPolarHBondContact O-CA 3.13Å; D546-S549 WeakPolarHBondContact O-CB 3.45Å; D546-S549 PolarHBondContact O-N 3.44Å; D546-S549 VanDerWaalsContact O-N 3.17Å; D546-E550 PolarHBondContact O-N 3.27Å
547	R	91.5	Very high	90.7	Very high	122 Å²	122	60.8 Å²	60.8	46%	0.46	32%	0.324	S	S	.	.	H	α-helix	trans	-61.9	-44.7	172.7	-64.2	-63.1	-172	172.7	5.6	111.6	L544 S549 E550 M551 I603 L607	L544-R547 WeakPolarHBondContact O-CB 3.28Å; L544-R547 PolarHBondContact O-N 2.72Å; R547-S549 VanDerWaalsContact C-N 3.27Å; R547-S549 PolarHBondContact O-N 2.87Å; R547-E550 IonicContact NH1-OE2 3.51Å; R547-E550 PolarHBondContact O-N 2.9Å; R547-M551 WeakPolarHBondContact O-CB 3.21Å; R547-M551 PolarHBondContact O-N 3.39Å; R547-I603 HydrophobicContact CB-CG2 3.94Å; R547-L607 HydrophobicContact CB-CD2 3.91Å
548	V	92.3	Very high	90.8	Very high	1 Å²	1	60.8 Å²	60.8	1%	0.006	32%	0.324	C	S	.	.	H	α-helix	trans	-63.3	-34.7	174.4	176.6	0	0	0	0	111.4	V482 I530 Q534 L537 L544 M551 Q552 L607	V482-V548 HydrophobicContact CG1-CG1 4.21Å; V482-V548 HydrophobicContact CG1-CG2 4.02Å; I530-V548 HydrophobicContact CG2-CG1 3.86Å; Q534-V548 HydrophobicContact CB-CG1 3.86Å; Q534-V548 HydrophobicContact CG-CB 4.25Å; Q534-V548 HydrophobicContact CG-CG1 3.99Å; L537-V548 HydrophobicContact CD1-CG2 3.81Å; L544-V548 WeakPolarHBondContact O-CG2 3.47Å; L544-V548 PolarHBondContact O-N 2.66Å; V548-M551 HydrophobicContact CG1-CE 3.91Å; V548-Q552 WeakPolarHBondContact O-CG 3.45Å; V548-Q552 PolarHBondContact O-N 2.86Å; V548-L607 HydrophobicContact CG2-CD1 4.17Å; V548-L607 HydrophobicContact CG2-CD2 4.11Å
549	S	92.9	Very high	91	Very high	35 Å²	35	55.3 Å²	55.3	25%	0.245	30%	0.3	C	S	.	.	H	α-helix	trans	-63.4	-47.7	173.3	-156.3	0	0	0	0	112.1	Q534 C545 D546 R547 Q552 K553	Q534-S549 PolarHBondContact NE2-OG 2.87Å; C545-S549 PolarHBondContact O-N 2.88Å; D546-S549 WeakPolarHBondContact O-CA 3.13Å; D546-S549 WeakPolarHBondContact O-CB 3.45Å; D546-S549 PolarHBondContact O-N 3.44Å; D546-S549 VanDerWaalsContact O-N 3.17Å; R547-S549 VanDerWaalsContact C-N 3.27Å; R547-S549 PolarHBondContact O-N 2.87Å; S549-Q552 PolarHBondContact O-N 2.87Å; S549-K553 WeakPolarHBondContact O-CG 3.3Å; S549-K553 PolarHBondContact O-N 2.73Å; S549-K553 VanDerWaalsContact O-N 3.14Å
550	E	92.8	Very high	91.2	Very high	88 Å²	88	56.2 Å²	56.2	41%	0.411	30%	0.296	S	S	.	.	H	α-helix	trans	-60.6	-47	177.7	-174.3	-179.9	-172.5	0	0	110.8	D546 R547 Q552 K553 L554 I603	D546-E550 PolarHBondContact O-N 3.27Å; R547-E550 IonicContact NH1-OE2 3.51Å; R547-E550 PolarHBondContact O-N 2.9Å; E550-Q552 VanDerWaalsContact C-N 3.34Å; E550-Q552 PolarHBondContact O-N 2.85Å; E550-K553 WeakPolarHBondContact O-CB 3.27Å; E550-K553 PolarHBondContact O-N 2.81Å; E550-K553 VanDerWaalsContact O-N 3.11Å; E550-L554 WeakPolarHBondContact O-CG 3.3Å; E550-L554 PolarHBondContact O-N 2.79Å; E550-I603 HydrophobicContact CB-CD1 4.14Å; E550-I603 HydrophobicContact CG-CD1 3.76Å
551	M	93.3	Very high	91.5	Very high	0 Å²	0	54 Å²	54	0%	0	29%	0.286	C	S	.	.	H	α-helix	trans	-58.7	-42.3	176.3	173.6	-78.9	-66.4	0	0	112.2	V482 V486 R489 I530 R547 V548 K553 L554 D555 I600 I603	V482-M551 HydrophobicContact CG1-CE 4.03Å; V486-M551 HydrophobicContact CG1-SD 4.3Å; V486-M551 HydrophobicContact CG2-CE 3.35Å; V486-M551 HydrophobicContact CG2-CG 4.43Å; V486-M551 HydrophobicContact CG2-SD 3.53Å; V486-M551 VanDerWaalsContact CG2-SD 3.53Å; R489-M551 PolarHBondContact NH2-SD 3.02Å; I530-M551 HydrophobicContact CG2-CE 3.93Å; R547-M551 WeakPolarHBondContact O-CB 3.21Å; R547-M551 PolarHBondContact O-N 3.39Å; V548-M551 HydrophobicContact CG1-CE 3.91Å; M551-K553 VanDerWaalsContact C-N 3.32Å; M551-K553 PolarHBondContact O-N 2.8Å; M551-L554 PolarHBondContact O-N 2.8Å; M551-D555 WeakPolarHBondContact O-CB 3.49Å; M551-D555 PolarHBondContact O-N 2.85Å; M551-I600 HydrophobicContact CG-CG1 4.45Å; M551-I600 HydrophobicContact CG-CG2 3.96Å; M551-I603 HydrophobicContact CB-CD1 4.23Å; M551-I603 HydrophobicContact CB-CG2 4.04Å
552	Q	93.3	Very high	92	Very high	31 Å²	31	50.7 Å²	50.7	15%	0.145	25%	0.253	C	S	.	.	H	α-helix	trans	-63.1	-37.3	176.2	-79.9	-177.2	68.7	0	0	112.5	I530 V548 S549 E550 D555 A556	I530-Q552 HydrophobicContact CG2-CG 3.89Å; V548-Q552 WeakPolarHBondContact O-CG 3.45Å; V548-Q552 PolarHBondContact O-N 2.86Å; S549-Q552 PolarHBondContact O-N 2.87Å; E550-Q552 VanDerWaalsContact C-N 3.34Å; E550-Q552 PolarHBondContact O-N 2.85Å; Q552-D555 PolarHBondContact O-N 2.87Å; Q552-A556 PolarHBondContact O-N 2.89Å
553	K	94	Very high	92.3	Very high	138 Å²	138	51.6 Å²	51.6	60%	0.6	26%	0.257	S	S	*	.	H	α-helix	trans	-66.6	-43.9	175.8	-68.7	172.6	-176.1	174.3	0	111.9	S549 E550 M551 D555 A556 Q557	S549-K553 WeakPolarHBondContact O-CG 3.3Å; S549-K553 PolarHBondContact O-N 2.73Å; S549-K553 VanDerWaalsContact O-N 3.14Å; E550-K553 WeakPolarHBondContact O-CB 3.27Å; E550-K553 PolarHBondContact O-N 2.81Å; E550-K553 VanDerWaalsContact O-N 3.11Å; M551-K553 VanDerWaalsContact C-N 3.32Å; M551-K553 PolarHBondContact O-N 2.8Å; K553-D555 VanDerWaalsContact C-N 3.3Å; K553-D555 PolarHBondContact O-N 2.8Å; K553-A556 PolarHBondContact O-N 2.83Å; K553-Q557 PolarHBondContact O-N 2.95Å
554	L	94.2	Very high	92.7	Very high	20 Å²	20	51.1 Å²	51.1	11%	0.105	25%	0.248	C	C	.	.	H	α-helix	trans	-62.9	-40.6	176.7	-68.1	175.4	0	0	0	111.2	E550 M551 Q557 V558 L596 K599 I600 I603	E550-L554 WeakPolarHBondContact O-CG 3.3Å; E550-L554 PolarHBondContact O-N 2.79Å; M551-L554 PolarHBondContact O-N 2.8Å; L554-Q557 WeakPolarHBondContact O-CB 3.33Å; L554-Q557 PolarHBondContact O-N 3.24Å; L554-Q557 VanDerWaalsContact O-N 3.17Å; L554-V558 PolarHBondContact O-N 2.97Å; L554-L596 HydrophobicContact CD2-CD2 3.76Å; L554-K599 HydrophobicContact CD1-CB 3.73Å; L554-K599 HydrophobicContact CD2-CD 4.45Å; L554-I600 HydrophobicContact CB-CD1 4.09Å; L554-I600 HydrophobicContact CB-CG1 3.73Å; L554-I600 HydrophobicContact CD1-CG1 4.16Å; L554-I603 HydrophobicContact CD1-CD1 3.58Å
555	D	93.5	Very high	92.8	Very high	1 Å²	1	50 Å²	50	1%	0.005	24%	0.244	C	C	.	.	H	α-helix	trans	-68.6	-37	179.6	178.2	79.7	0	0	0	114.3	R489 Y493 H523 M551 Q552 K553 Q557 V558 K559 I600	R489-D555 VanDerWaalsContact CD-CG 3.5Å; R489-D555 WeakPolarHBondContact CD-OD1 3.41Å; R489-D555 WeakPolarHBondContact CD-OD2 3.48Å; R489-D555 IonicContact CZ-OD1 3.34Å; R489-D555 IonicContact CZ-OD2 3.77Å; R489-D555 IonicContact NE-OD1 2.61Å; R489-D555 PolarHBondContact NE-OD1 3.05Å; R489-D555 IonicContact NE-OD2 3.45Å; R489-D555 PolarHBondContact NE-OD2 2.97Å; R489-D555 VanDerWaalsContact NH1-CB 3.28Å; R489-D555 IonicContact NH1-OD1 3.76Å; R489-D555 IonicContact NH1-OD2 3.66Å; R489-D555 PolarHBondContact NH1-OD2 3.18Å; R489-D555 IonicContact NH2-OD1 3.52Å; R489-D555 PolarHBondContact NH2-OD1 3.49Å; R489-D555 IonicContact NH2-OD2 2.94Å; Y493-D555 WeakPolarHBondContact CE2-OD1 3.28Å; Y493-D555 PolarHBondContact OH-O 3.31Å; Y493-D555 PolarHBondContact OH-OD1 2.83Å; Y493-D555 PolarHBondContact OH-OD2 2.87Å; H523-D555 IonicContact CD2-OD2 3.4Å; H523-D555 IonicContact CE1-OD2 2.73Å; H523-D555 IonicContact NE2-OD2 3.78Å; H523-D555 PolarHBondContact NE2-OD2 2.87Å; M551-D555 WeakPolarHBondContact O-CB 3.49Å; M551-D555 PolarHBondContact O-N 2.85Å; Q552-D555 PolarHBondContact O-N 2.87Å; K553-D555 VanDerWaalsContact C-N 3.3Å; K553-D555 PolarHBondContact O-N 2.8Å; D555-Q557 PolarHBondContact O-N 3.2Å; D555-V558 WeakPolarHBondContact O-CA 3.38Å; D555-V558 WeakPolarHBondContact O-CB 3.32Å; D555-V558 PolarHBondContact O-N 3.14Å; D555-K559 PolarHBondContact O-N 3.43Å; D555-I600 HydrophobicContact CB-CD1 4.01Å
556	A	93.3	Very high	92.9	Very high	44 Å²	44	49.4 Å²	49.4	36%	0.364	24%	0.239	S	C	.	.	H	α-helix	trans	-56.1	-38.2	171.8	0	0	0	0	0	111	Q552 K553 K559 E560	Q552-A556 PolarHBondContact O-N 2.89Å; K553-A556 PolarHBondContact O-N 2.83Å; A556-K559 PolarHBondContact O-N 2.89Å; A556-E560 WeakPolarHBondContact O-CG 3.02Å; A556-E560 PolarHBondContact O-N 2.97Å
557	Q	94.5	Very high	92.9	Very high	89 Å²	89	46.8 Å²	46.8	42%	0.416	23%	0.227	S	C	.	.	H	α-helix	trans	-68.4	-38.2	173.9	-59.7	171.7	33.9	0	0	112.1	K553 L554 D555 E560 L561 L596	K553-Q557 PolarHBondContact O-N 2.95Å; L554-Q557 WeakPolarHBondContact O-CB 3.33Å; L554-Q557 PolarHBondContact O-N 3.24Å; L554-Q557 VanDerWaalsContact O-N 3.17Å; D555-Q557 PolarHBondContact O-N 3.2Å; Q557-E560 PolarHBondContact O-N 2.91Å; Q557-L561 WeakPolarHBondContact O-CG 3.28Å; Q557-L561 PolarHBondContact O-N 3.05Å; Q557-L596 HydrophobicContact CB-CD1 3.56Å; Q557-L596 HydrophobicContact CB-CD2 4.44Å
558	V	93.6	Very high	92.9	Very high	0 Å²	0	41.7 Å²	41.7	0%	0	21%	0.209	C	C	.	.	H	α-helix	trans	-59.8	-47.5	173.5	178.7	0	0	0	0	110.3	Y493 L554 D555 E560 L561 V562 L596 V597 I600	Y493-V558 HydrophobicContact CD2-CG1 3.58Å; Y493-V558 HydrophobicContact CE2-CB 4.03Å; Y493-V558 HydrophobicContact CE2-CG1 3.46Å; Y493-V558 VanDerWaalsContact CE2-CG1 3.46Å; Y493-V558 HydrophobicContact CG-CG1 4.3Å; L554-V558 PolarHBondContact O-N 2.97Å; D555-V558 WeakPolarHBondContact O-CA 3.38Å; D555-V558 WeakPolarHBondContact O-CB 3.32Å; D555-V558 PolarHBondContact O-N 3.14Å; V558-E560 PolarHBondContact O-N 2.9Å; V558-L561 PolarHBondContact O-N 3.37Å; V558-V562 HydrophobicContact CG1-CG2 4.17Å; V558-V562 WeakPolarHBondContact O-CG2 3.23Å; V558-V562 PolarHBondContact O-N 2.92Å; V558-L596 HydrophobicContact CG2-CB 3.55Å; V558-L596 HydrophobicContact CG2-CD1 4.1Å; V558-L596 HydrophobicContact CG2-CG 4.49Å; V558-V597 HydrophobicContact CG1-CG2 4.24Å; V558-V597 HydrophobicContact CG2-CG2 4.17Å; V558-I600 HydrophobicContact CG2-CD1 3.93Å
559	K	93.5	Very high	92.8	Very high	41 Å²	41	41.7 Å²	41.7	18%	0.178	21%	0.209	C	C	.	.	H	α-helix	trans	-57	-47	176	-179.4	-172.4	-172	167.8	0	112.1	Y493 H523 D555 A556 L561 V562 L563	Y493-K559 HydrophobicContact CE1-CB 4.06Å; Y493-K559 HydrophobicContact CE1-CG 4.48Å; H523-K559 WeakPolarHBondContact ND1-CD 3.49Å; H523-K559 PolarHBondContact ND1-NZ 2.79Å; D555-K559 PolarHBondContact O-N 3.43Å; A556-K559 PolarHBondContact O-N 2.89Å; K559-L561 VanDerWaalsContact C-N 3.29Å; K559-L561 PolarHBondContact O-N 2.94Å; K559-V562 WeakPolarHBondContact O-CB 3.22Å; K559-V562 PolarHBondContact O-N 2.8Å; K559-L563 HydrophobicContact CG-CD1 4.19Å; K559-L563 HydrophobicContact CG-CG 4.45Å; K559-L563 WeakPolarHBondContact O-CG 3.45Å; K559-L563 PolarHBondContact O-N 3.07Å
560	E	93.2	Very high	92.7	Very high	137 Å²	137	42.4 Å²	42.4	64%	0.64	21%	0.208	S	C	*	.	H	α-helix	trans	-58.6	-42.1	177.9	-75.5	179.5	-177.8	0	0	111.8	A556 Q557 V558 L563 K564	A556-E560 WeakPolarHBondContact O-CG 3.02Å; A556-E560 PolarHBondContact O-N 2.97Å; Q557-E560 PolarHBondContact O-N 2.91Å; V558-E560 PolarHBondContact O-N 2.9Å; E560-L563 PolarHBondContact O-N 2.7Å; E560-K564 VanDerWaalsContact O-CB 3.3Å; E560-K564 WeakPolarHBondContact O-CB 3.49Å; E560-K564 PolarHBondContact O-N 2.87Å
561	L	93.4	Very high	92.6	Very high	25 Å²	25	42.9 Å²	42.9	13%	0.131	21%	0.206	C	C	.	.	H	α-helix	trans	-68.3	-37.3	176.4	-68.8	-180	0	0	0	112.9	Q557 V558 K559 K564 S565 I589 K592 R593 L596	Q557-L561 WeakPolarHBondContact O-CG 3.28Å; Q557-L561 PolarHBondContact O-N 3.05Å; V558-L561 PolarHBondContact O-N 3.37Å; K559-L561 VanDerWaalsContact C-N 3.29Å; K559-L561 PolarHBondContact O-N 2.94Å; L561-K564 PolarHBondContact O-N 3.05Å; L561-S565 PolarHBondContact O-N 3.42Å; L561-I589 HydrophobicContact CB-CG2 4.16Å; L561-I589 HydrophobicContact CD2-CG2 4.49Å; L561-I589 WeakPolarHBondContact O-CG2 3.45Å; L561-K592 HydrophobicContact CD1-CB 3.65Å; L561-R593 HydrophobicContact CB-CG 3.43Å; L561-R593 VanDerWaalsContact CB-CG 3.43Å; L561-R593 HydrophobicContact CD1-CB 4.44Å; L561-R593 HydrophobicContact CD1-CG 3.67Å; L561-R593 HydrophobicContact CG-CG 4.21Å; L561-L596 HydrophobicContact CD1-CD1 3.72Å
562	V	92.7	Very high	92.5	Very high	0 Å²	0	45 Å²	45	0%	0	22%	0.217	C	C	.	.	H	α-helix	trans	-61.1	-47.7	173.9	172.6	0	0	0	0	110.4	Y493 F496 L519 V558 K559 K564 S565 A566	Y493-V562 HydrophobicContact CD1-CB 4.37Å; Y493-V562 HydrophobicContact CD1-CG1 4.29Å; Y493-V562 HydrophobicContact CD1-CG2 3.77Å; Y493-V562 HydrophobicContact CE1-CG2 4.41Å; Y493-V562 HydrophobicContact CG-CG2 3.88Å; F496-V562 HydrophobicContact CD1-CG1 3.3Å; F496-V562 HydrophobicContact CE1-CG1 3.81Å; F496-V562 HydrophobicContact CG-CG1 4.3Å; L519-V562 HydrophobicContact CD2-CG1 3.8Å; V558-V562 HydrophobicContact CG1-CG2 4.17Å; V558-V562 WeakPolarHBondContact O-CG2 3.23Å; V558-V562 PolarHBondContact O-N 2.92Å; K559-V562 WeakPolarHBondContact O-CB 3.22Å; K559-V562 PolarHBondContact O-N 2.8Å; V562-K564 PolarHBondContact O-N 2.75Å; V562-S565 WeakPolarHBondContact O-CB 3.14Å; V562-S565 PolarHBondContact O-N 2.68Å; V562-A566 PolarHBondContact O-N 2.92Å
563	L	92	Very high	92.3	Very high	31 Å²	31	45.4 Å²	45.4	16%	0.162	22%	0.222	C	C	.	.	H	α-helix	trans	-66.2	-37.4	176.8	-66.6	178.3	0	0	0	112	K516 L519 K559 E560 S565 A566 V567	K516-L563 HydrophobicContact CD-CD2 4.4Å; K516-L563 HydrophobicContact CG-CD2 3.89Å; L519-L563 HydrophobicContact CD2-CD2 3.84Å; K559-L563 HydrophobicContact CG-CD1 4.19Å; K559-L563 HydrophobicContact CG-CG 4.45Å; K559-L563 WeakPolarHBondContact O-CG 3.45Å; K559-L563 PolarHBondContact O-N 3.07Å; E560-L563 PolarHBondContact O-N 2.7Å; L563-S565 VanDerWaalsContact C-N 3.33Å; L563-S565 PolarHBondContact O-N 2.8Å; L563-A566 PolarHBondContact O-N 2.97Å; L563-V567 WeakPolarHBondContact O-CG2 3.41Å; L563-V567 PolarHBondContact O-N 3.09Å; L563-V567 VanDerWaalsContact O-N 3.1Å
564	K	92.5	Very high	92.1	Very high	112 Å²	112	41.9 Å²	41.9	49%	0.487	22%	0.218	S	C	.	.	H	α-helix	trans	-62.9	-38.6	173.8	-170.2	178	179.9	177.2	0	111.9	E560 L561 V562 A566 V567 E568 I589	E560-K564 VanDerWaalsContact O-CB 3.3Å; E560-K564 WeakPolarHBondContact O-CB 3.49Å; E560-K564 PolarHBondContact O-N 2.87Å; L561-K564 PolarHBondContact O-N 3.05Å; V562-K564 PolarHBondContact O-N 2.75Å; K564-A566 VanDerWaalsContact C-N 3.33Å; K564-A566 PolarHBondContact O-N 3.48Å; K564-V567 PolarHBondContact O-N 3.09Å; K564-E568 WeakPolarHBondContact O-CG 3.11Å; K564-E568 PolarHBondContact O-N 3.09Å; K564-I589 HydrophobicContact CB-CD1 4.44Å; K564-I589 HydrophobicContact CD-CD1 4.06Å; K564-I589 HydrophobicContact CD-CG1 4.31Å; K564-I589 HydrophobicContact CG-CD1 3.88Å
565	S	91.2	Very high	91.7	Very high	9 Å²	9	44 Å²	44	6%	0.063	25%	0.245	C	C	.	.	H	α-helix	trans	-59.7	-43.1	174.2	-169.2	0	0	0	0	111.8	L561 V562 L563 E568 A569	L561-S565 PolarHBondContact O-N 3.42Å; V562-S565 WeakPolarHBondContact O-CB 3.14Å; V562-S565 PolarHBondContact O-N 2.68Å; L563-S565 VanDerWaalsContact C-N 3.33Å; L563-S565 PolarHBondContact O-N 2.8Å; S565-E568 PolarHBondContact O-N 3.16Å; S565-A569 PolarHBondContact O-N 3.5Å
566	A	91.7	Very high	91.5	Very high	0 Å²	0	51.8 Å²	51.8	0%	0	28%	0.279	C	S	.	.	H	α-helix	trans	-62.7	-42.8	175.1	0	0	0	0	0	112.6	F496 V500 V562 L563 K564 E568 A569 E570	F496-A566 HydrophobicContact CE1-CB 3.77Å; F496-A566 HydrophobicContact CZ-CB 3.79Å; V500-A566 HydrophobicContact CG2-CB 3.86Å; V562-A566 PolarHBondContact O-N 2.92Å; L563-A566 PolarHBondContact O-N 2.97Å; K564-A566 VanDerWaalsContact C-N 3.33Å; K564-A566 PolarHBondContact O-N 3.48Å; A566-E568 PolarHBondContact O-N 3.23Å; A566-A569 WeakPolarHBondContact O-CB 3.4Å; A566-A569 PolarHBondContact O-N 3.08Å; A566-E570 WeakPolarHBondContact O-CG 3.45Å; A566-E570 PolarHBondContact O-N 3.33Å
567	V	92	Very high	91.3	Very high	59 Å²	59	50.7 Å²	50.7	36%	0.358	27%	0.267	S	S	.	.	H	α-helix	trans	-63.4	-40.5	177.2	174.3	0	0	0	0	111.9	L563 K564 A569 E570 R571	L563-V567 WeakPolarHBondContact O-CG2 3.41Å; L563-V567 PolarHBondContact O-N 3.09Å; L563-V567 VanDerWaalsContact O-N 3.1Å; K564-V567 PolarHBondContact O-N 3.09Å; V567-A569 VanDerWaalsContact C-N 3.33Å; V567-E570 PolarHBondContact O-N 2.9Å; V567-R571 WeakPolarHBondContact O-CG 3.42Å; V567-R571 PolarHBondContact O-N 2.81Å
568	E	91	Very high	91.2	Very high	15 Å²	15	54.4 Å²	54.4	7%	0.07	28%	0.282	C	S	.	.	H	α-helix	trans	-65.4	-37.1	174.9	-70.1	-65.9	128.3	0	0	111.5	K564 S565 A566 R571 L572 L577 Y582 N585 I589	K564-E568 WeakPolarHBondContact O-CG 3.11Å; K564-E568 PolarHBondContact O-N 3.09Å; S565-E568 PolarHBondContact O-N 3.16Å; A566-E568 PolarHBondContact O-N 3.23Å; E568-R571 PolarHBondContact O-N 2.57Å; E568-R571 IonicContact OE1-CZ 3.98Å; E568-R571 IonicContact OE1-NH1 2.91Å; E568-R571 PolarHBondContact OE1-NH1 3.16Å; E568-R571 IonicContact OE2-NH1 3.85Å; E568-L572 PolarHBondContact O-N 2.84Å; E568-L577 WeakPolarHBondContact OE2-CD2 3.35Å; E568-Y582 HydrophobicContact CB-CD2 4.08Å; E568-Y582 HydrophobicContact CB-CE2 4.06Å; E568-N585 PolarHBondContact OE2-ND2 3.16Å; E568-I589 HydrophobicContact CG-CD1 4.08Å
569	A	90.3	Very high	91	Very high	0 Å²	0	61.6 Å²	61.6	0%	0	31%	0.313	C	S	.	.	H	α-helix	trans	-65	-40.4	173.6	0	0	0	0	0	112.2	V500 Y503 K504 S565 A566 V567 L572 V573 Y582	V500-A569 HydrophobicContact CG1-CB 3.63Å; Y503-A569 HydrophobicContact CD1-CB 4.49Å; K504-A569 HydrophobicContact CD-CB 4.37Å; K504-A569 HydrophobicContact CG-CB 4.22Å; S565-A569 PolarHBondContact O-N 3.5Å; A566-A569 WeakPolarHBondContact O-CB 3.4Å; A566-A569 PolarHBondContact O-N 3.08Å; V567-A569 VanDerWaalsContact C-N 3.33Å; A569-L572 PolarHBondContact O-N 2.82Å; A569-V573 WeakPolarHBondContact O-CG2 3.44Å; A569-V573 PolarHBondContact O-N 2.7Å; A569-Y582 HydrophobicContact CB-CE2 4.33Å
570	E	91.1	Very high	90.9	Very high	50 Å²	50	65.7 Å²	65.7	23%	0.234	34%	0.337	C	S	.	.	H	α-helix	trans	-60.5	-44.2	172.5	-72.1	173.3	-152	0	0	111.8	Y503 I509 L512 A566 V567 L572 V573 A574	Y503-E570 HydrophobicContact CE1-CG 4.12Å; I509-E570 HydrophobicContact CD1-CG 4.14Å; L512-E570 HydrophobicContact CD2-CG 3.46Å; L512-E570 VanDerWaalsContact CD2-CG 3.46Å; L512-E570 WeakPolarHBondContact CD2-OE1 3.26Å; A566-E570 WeakPolarHBondContact O-CG 3.45Å; A566-E570 PolarHBondContact O-N 3.33Å; V567-E570 PolarHBondContact O-N 2.9Å; E570-L572 VanDerWaalsContact C-N 3.35Å; E570-L572 PolarHBondContact O-N 3.21Å; E570-V573 PolarHBondContact O-N 3.41Å; E570-A574 WeakPolarHBondContact O-CB 3.35Å; E570-A574 PolarHBondContact O-N 3.36Å
571	R	91.3	Very high	90.8	Very high	99 Å²	99	61.9 Å²	61.9	37%	0.374	32%	0.323	S	S	.	.	H	α-helix	trans	-65.6	-36.6	178.3	-69.6	175.9	68.7	-163	3.4	112.5	V567 E568 G575 K576 L577	V567-R571 WeakPolarHBondContact O-CG 3.42Å; V567-R571 PolarHBondContact O-N 2.81Å; E568-R571 PolarHBondContact O-N 2.57Å; E568-R571 IonicContact OE1-CZ 3.98Å; E568-R571 IonicContact OE1-NH1 2.91Å; E568-R571 PolarHBondContact OE1-NH1 3.16Å; E568-R571 IonicContact OE2-NH1 3.85Å; R571-G575 PolarHBondContact O-N 3.31Å; R571-K576 HydrophobicContact CB-CB 4.49Å; R571-K576 PolarHBondContact O-N 2.88Å; R571-L577 HydrophobicContact CB-CB 3.95Å; R571-L577 HydrophobicContact CB-CD2 4.37Å; R571-L577 PolarHBondContact O-N 3.01Å
572	L	90.7	Very high	90.7	Very high	44 Å²	44	61 Å²	61	23%	0.23	32%	0.318	C	S	.	.	H	α-helix	trans	-63.6	-52.6	173.9	177.9	71.7	0	0	0	111	E568 A569 E570 A574 G575 K579 Y582	E568-L572 PolarHBondContact O-N 2.84Å; A569-L572 PolarHBondContact O-N 2.82Å; E570-L572 VanDerWaalsContact C-N 3.35Å; E570-L572 PolarHBondContact O-N 3.21Å; L572-A574 VanDerWaalsContact C-N 3.31Å; L572-A574 PolarHBondContact O-N 2.62Å; L572-G575 PolarHBondContact O-N 2.82Å; L572-G575 VanDerWaalsContact O-N 3.07Å; L572-K579 HydrophobicContact CD1-CB 4.45Å; L572-Y582 HydrophobicContact CB-CD2 3.95Å; L572-Y582 HydrophobicContact CB-CE2 4.43Å; L572-Y582 HydrophobicContact CB-CG 4.16Å; L572-Y582 HydrophobicContact CD1-CD1 4.48Å; L572-Y582 HydrophobicContact CD1-CG 4.14Å; L572-Y582 HydrophobicContact CD2-CD1 3.63Å; L572-Y582 HydrophobicContact CD2-CD2 4.13Å; L572-Y582 HydrophobicContact CD2-CE1 3.77Å; L572-Y582 HydrophobicContact CD2-CE2 4.29Å; L572-Y582 HydrophobicContact CD2-CG 3.8Å; L572-Y582 HydrophobicContact CG-CD2 4.5Å; L572-Y582 HydrophobicContact CG-CG 4.25Å
573	V	88.8	Confident	90.6	Very high	40 Å²	40	65.1 Å²	65.1	24%	0.242	34%	0.339	C	S	.	.	H	α-helix	trans	-65.7	-34.3	-177.9	175.2	0	0	0	0	111.6	Y503 R507 A569 E570 G575	Y503-V573 HydrophobicContact CD1-CG2 4.3Å; Y503-V573 HydrophobicContact CE1-CB 3.96Å; Y503-V573 HydrophobicContact CE1-CG1 4.44Å; Y503-V573 HydrophobicContact CE1-CG2 3.69Å; R507-V573 HydrophobicContact CB-CG1 4.27Å; R507-V573 HydrophobicContact CG-CG1 3.94Å; A569-V573 WeakPolarHBondContact O-CG2 3.44Å; A569-V573 PolarHBondContact O-N 2.7Å; E570-V573 PolarHBondContact O-N 3.41Å; V573-G575 PolarHBondContact O-N 3.37Å
574	A	89	Confident	90.7	Very high	64 Å²	64	70.3 Å²	70.3	53%	0.529	36%	0.362	S	S	.	.	T	Hydrogen-bonded Turn	trans	-76.1	-0.8	174.6	0	0	0	0	0	114.4	E570 L572 K576	E570-A574 WeakPolarHBondContact O-CB 3.35Å; E570-A574 PolarHBondContact O-N 3.36Å; L572-A574 VanDerWaalsContact C-N 3.31Å; L572-A574 PolarHBondContact O-N 2.62Å; A574-K576 HydrophobicContact CB-CD 4.5Å; A574-K576 HydrophobicContact CB-CG 4.3Å; A574-K576 PolarHBondContact O-N 2.93Å
575	G	86.3	Confident	90.7	Very high	65 Å²	65	67.2 Å²	67.2	67%	0.67	35%	0.351	S	S	*	.	T	Hydrogen-bonded Turn	trans	71.3	11.1	-179.3	0	0	0	0	0	115	R571 L572 V573 L577	R571-G575 PolarHBondContact O-N 3.31Å; L572-G575 PolarHBondContact O-N 2.82Å; L572-G575 VanDerWaalsContact O-N 3.07Å; V573-G575 PolarHBondContact O-N 3.37Å; G575-L577 VanDerWaalsContact C-N 3.3Å
576	K	90.4	Very high	90.6	Very high	164 Å²	164	69.6 Å²	69.6	71%	0.713	36%	0.361	S	S	*	.	S	Bend	trans	-84.6	-2.5	179.6	-64.7	-177.1	-179.8	177.6	0	113.3	R571 A574	R571-K576 HydrophobicContact CB-CB 4.49Å; R571-K576 PolarHBondContact O-N 2.88Å; A574-K576 HydrophobicContact CB-CD 4.5Å; A574-K576 HydrophobicContact CB-CG 4.3Å; A574-K576 PolarHBondContact O-N 2.93Å
577	L	88.7	Confident	90.7	Very high	20 Å²	20	77.6 Å²	77.6	11%	0.105	40%	0.396	C	S	.	.	S	Bend	trans	-140.7	131	-177.9	-173	67.9	0	0	0	109.5	E568 R571 G575 T581 Y582	E568-L577 WeakPolarHBondContact OE2-CD2 3.35Å; R571-L577 HydrophobicContact CB-CB 3.95Å; R571-L577 HydrophobicContact CB-CD2 4.37Å; R571-L577 PolarHBondContact O-N 3.01Å; G575-L577 VanDerWaalsContact C-N 3.3Å; L577-T581 HydrophobicContact CD1-CG2 3.69Å; L577-Y582 HydrophobicContact CD2-CD2 4.08Å; L577-Y582 HydrophobicContact CD2-CG 4.42Å
578	K	91.1	Very high	90.7	Very high	167 Å²	167	79.6 Å²	79.6	73%	0.726	40%	0.404	S	S	*	.			trans	-69.5	145.6	175.3	-67.2	-173.8	179.7	-178.8	0	110	D580 T581 Y582	K578-D580 VanDerWaalsContact C-N 3.29Å; K578-D580 PolarHBondContact O-N 2.99Å; K578-T581 PolarHBondContact O-N 3.14Å; K578-T581 VanDerWaalsContact O-N 3.13Å; K578-Y582 PolarHBondContact O-N 3.5Å
579	K	90.2	Very high	90.8	Very high	151 Å²	151	79.2 Å²	79.2	66%	0.657	40%	0.402	S	S	*	.	H	α-helix	trans	-54.5	-42.7	-178.5	-173.9	177.7	176.9	-177.3	0	112.7	L572 T581 Y582 I583	L572-K579 HydrophobicContact CD1-CB 4.45Å; K579-T581 PolarHBondContact O-N 2.82Å; K579-Y582 WeakPolarHBondContact O-CB 3.29Å; K579-Y582 PolarHBondContact O-N 3.04Å; K579-I583 HydrophobicContact CG-CD1 4.08Å; K579-I583 WeakPolarHBondContact O-CG1 3.3Å; K579-I583 PolarHBondContact O-N 2.83Å
580	D	90.6	Very high	90.8	Very high	127 Å²	127	82.4 Å²	82.4	68%	0.679	43%	0.425	S	S	*	.	H	α-helix	trans	-64.5	-41.9	-179.8	-57.4	-33.4	0	0	0	111.8	K578 Y582 I583 E584	K578-D580 VanDerWaalsContact C-N 3.29Å; K578-D580 PolarHBondContact O-N 2.99Å; D580-Y582 PolarHBondContact O-N 3.11Å; D580-I583 PolarHBondContact O-N 3.01Å; D580-E584 PolarHBondContact O-N 2.91Å; D580-E584 VanDerWaalsContact O-N 3.1Å
581	T	91.4	Very high	90.9	Very high	57 Å²	57	82 Å²	82	35%	0.35	44%	0.435	S	S	.	.	H	α-helix	trans	-65.8	-37.2	175.7	-45.2	0	0	0	0	111.9	L577 K578 K579 E584 N585	L577-T581 HydrophobicContact CD1-CG2 3.69Å; K578-T581 PolarHBondContact O-N 3.14Å; K578-T581 VanDerWaalsContact O-N 3.13Å; K579-T581 PolarHBondContact O-N 2.82Å; T581-E584 PolarHBondContact O-N 2.78Å; T581-N585 WeakPolarHBondContact O-CB 3.29Å; T581-N585 VanDerWaalsContact O-CG 3.25Å; T581-N585 PolarHBondContact O-N 3.21Å
582	Y	91.7	Very high	91	Very high	8 Å²	8	82.5 Å²	82.5	3%	0.031	44%	0.439	C	S	.	.	H	α-helix	trans	-62.4	-46.4	174.1	172.7	-98.8	0	0	0	111.9	K504 E568 A569 L572 L577 K578 K579 D580 E584 N585 E586	K504-Y582 WeakPolarHBondContact CD-OH 3.37Å; K504-Y582 PolarHBondContact NZ-OH 2.9Å; K504-Y582 VanDerWaalsContact NZ-OH 3.12Å; E568-Y582 HydrophobicContact CB-CD2 4.08Å; E568-Y582 HydrophobicContact CB-CE2 4.06Å; A569-Y582 HydrophobicContact CB-CE2 4.33Å; L572-Y582 HydrophobicContact CB-CD2 3.95Å; L572-Y582 HydrophobicContact CB-CE2 4.43Å; L572-Y582 HydrophobicContact CB-CG 4.16Å; L572-Y582 HydrophobicContact CD1-CD1 4.48Å; L572-Y582 HydrophobicContact CD1-CG 4.14Å; L572-Y582 HydrophobicContact CD2-CD1 3.63Å; L572-Y582 HydrophobicContact CD2-CD2 4.13Å; L572-Y582 HydrophobicContact CD2-CE1 3.77Å; L572-Y582 HydrophobicContact CD2-CE2 4.29Å; L572-Y582 HydrophobicContact CD2-CG 3.8Å; L572-Y582 HydrophobicContact CG-CD2 4.5Å; L572-Y582 HydrophobicContact CG-CG 4.25Å; L577-Y582 HydrophobicContact CD2-CD2 4.08Å; L577-Y582 HydrophobicContact CD2-CG 4.42Å; K578-Y582 PolarHBondContact O-N 3.5Å; K579-Y582 WeakPolarHBondContact O-CB 3.29Å; K579-Y582 PolarHBondContact O-N 3.04Å; D580-Y582 PolarHBondContact O-N 3.11Å; Y582-E584 VanDerWaalsContact C-N 3.3Å; Y582-E584 PolarHBondContact O-N 2.81Å; Y582-N585 PolarHBondContact O-N 3.21Å; Y582-E586 HydrophobicContact CE1-CB 4.37Å; Y582-E586 WeakPolarHBondContact CE1-OE2 3.14Å; Y582-E586 VanDerWaalsContact O-CB 3.32Å; Y582-E586 WeakPolarHBondContact O-CB 2.83Å; Y582-E586 PolarHBondContact O-N 3.06Å; Y582-E586 PolarHBondContact OH-OE1 2.96Å
583	I	91.2	Very high	91.1	Very high	85 Å²	85	82 Å²	82	44%	0.436	43%	0.434	S	S	.	.	H	α-helix	trans	-61.7	-41.2	-180	-68.1	167.4	0	0	0	110.6	K579 D580 K587	K579-I583 HydrophobicContact CG-CD1 4.08Å; K579-I583 WeakPolarHBondContact O-CG1 3.3Å; K579-I583 PolarHBondContact O-N 2.83Å; D580-I583 PolarHBondContact O-N 3.01Å; I583-K587 VanDerWaalsContact O-CB 3.31Å; I583-K587 WeakPolarHBondContact O-CB 3.29Å; I583-K587 PolarHBondContact O-N 3Å
584	E	92.7	Very high	91.3	Very high	140 Å²	140	85.6 Å²	85.6	65%	0.654	45%	0.449	S	S	*	.	H	α-helix	trans	-64	-44.9	176.1	-167.1	177.7	-176.2	0	0	111.9	D580 T581 Y582 K587 L588	D580-E584 PolarHBondContact O-N 2.91Å; D580-E584 VanDerWaalsContact O-N 3.1Å; T581-E584 PolarHBondContact O-N 2.78Å; Y582-E584 VanDerWaalsContact C-N 3.3Å; Y582-E584 PolarHBondContact O-N 2.81Å; E584-K587 PolarHBondContact O-N 3.32Å; E584-L588 PolarHBondContact O-N 3.02Å
585	N	92.7	Very high	91.5	Very high	47 Å²	47	87.5 Å²	87.5	25%	0.251	45%	0.447	S	S	.	.	H	α-helix	trans	-64.7	-44.4	176.4	-73.5	-13.2	0	0	0	112.5	E568 T581 Y582 L588 I589	E568-N585 PolarHBondContact OE2-ND2 3.16Å; T581-N585 WeakPolarHBondContact O-CB 3.29Å; T581-N585 VanDerWaalsContact O-CG 3.25Å; T581-N585 PolarHBondContact O-N 3.21Å; Y582-N585 PolarHBondContact O-N 3.21Å; N585-L588 PolarHBondContact O-N 2.98Å; N585-I589 WeakPolarHBondContact O-CB 3.48Å; N585-I589 VanDerWaalsContact O-CG1 3.24Å; N585-I589 WeakPolarHBondContact O-CG1 3.43Å; N585-I589 PolarHBondContact O-N 2.96Å
586	E	90.8	Very high	91.9	Very high	60 Å²	60	85.1 Å²	85.1	28%	0.28	42%	0.418	S	S	.	.	H	α-helix	trans	-63	-42.3	178.5	-172.6	177.6	-152.7	0	0	110.5	K504 Y582 L588 I589 S590	K504-E586 IonicContact NZ-OE1 3.27Å; K504-E586 PolarHBondContact NZ-OE1 3.11Å; Y582-E586 HydrophobicContact CE1-CB 4.37Å; Y582-E586 WeakPolarHBondContact CE1-OE2 3.14Å; Y582-E586 VanDerWaalsContact O-CB 3.32Å; Y582-E586 WeakPolarHBondContact O-CB 2.83Å; Y582-E586 PolarHBondContact O-N 3.06Å; Y582-E586 PolarHBondContact OH-OE1 2.96Å; E586-L588 PolarHBondContact O-N 3.11Å; E586-I589 PolarHBondContact O-N 2.93Å; E586-S590 WeakPolarHBondContact O-CB 3.17Å; E586-S590 PolarHBondContact O-N 3.07Å
587	K	92.2	Very high	91.9	Very high	168 Å²	168	78.3 Å²	78.3	73%	0.73	39%	0.39	S	S	*	.	H	α-helix	trans	-61.5	-43.1	174.9	-171.3	177.9	-179.1	-178.7	0	111.9	I583 E584 G591	I583-K587 VanDerWaalsContact O-CB 3.31Å; I583-K587 WeakPolarHBondContact O-CB 3.29Å; I583-K587 PolarHBondContact O-N 3Å; E584-K587 PolarHBondContact O-N 3.32Å; K587-G591 PolarHBondContact O-N 2.85Å
588	L	93.5	Very high	92.1	Very high	101 Å²	101	79.8 Å²	79.8	53%	0.529	40%	0.4	S	S	.	.	H	α-helix	trans	-65.6	-44.4	176.9	-174.9	71.5	0	0	0	112	E584 N585 E586 K592	E584-L588 PolarHBondContact O-N 3.02Å; N585-L588 PolarHBondContact O-N 2.98Å; E586-L588 PolarHBondContact O-N 3.11Å; L588-K592 WeakPolarHBondContact O-CG 3.43Å; L588-K592 PolarHBondContact O-N 3.47Å; L588-K592 VanDerWaalsContact O-N 3.16Å
589	I	92.6	Very high	92.2	Very high	6 Å²	6	76.3 Å²	76.3	3%	0.031	39%	0.385	C	S	.	.	H	α-helix	trans	-66.5	-47.9	179.3	-69	166.3	0	0	0	110.3	L561 K564 E568 N585 E586 G591 K592 R593	L561-I589 HydrophobicContact CB-CG2 4.16Å; L561-I589 HydrophobicContact CD2-CG2 4.49Å; L561-I589 WeakPolarHBondContact O-CG2 3.45Å; K564-I589 HydrophobicContact CB-CD1 4.44Å; K564-I589 HydrophobicContact CD-CD1 4.06Å; K564-I589 HydrophobicContact CD-CG1 4.31Å; K564-I589 HydrophobicContact CG-CD1 3.88Å; E568-I589 HydrophobicContact CG-CD1 4.08Å; N585-I589 WeakPolarHBondContact O-CB 3.48Å; N585-I589 VanDerWaalsContact O-CG1 3.24Å; N585-I589 WeakPolarHBondContact O-CG1 3.43Å; N585-I589 PolarHBondContact O-N 2.96Å; E586-I589 PolarHBondContact O-N 2.93Å; I589-G591 PolarHBondContact O-N 3.37Å; I589-K592 PolarHBondContact O-N 3.23Å; I589-R593 HydrophobicContact CG2-CG 4.41Å; I589-R593 WeakPolarHBondContact O-CG 3.49Å; I589-R593 PolarHBondContact O-N 2.96Å
590	S	90.7	Very high	92.3	Very high	68 Å²	68	69.2 Å²	69.2	48%	0.476	35%	0.354	S	S	.	.	H	α-helix	trans	-63.1	-40.6	179.6	-170.5	0	0	0	0	111.9	E586 R593 Q594	E586-S590 WeakPolarHBondContact O-CB 3.17Å; E586-S590 PolarHBondContact O-N 3.07Å; S590-R593 PolarHBondContact O-N 3.03Å; S590-Q594 WeakPolarHBondContact O-CB 3.33Å; S590-Q594 PolarHBondContact O-N 3.25Å
591	G	92.3	Very high	92.4	Very high	42 Å²	42	65.8 Å²	65.8	43%	0.433	34%	0.336	S	S	.	.	H	α-helix	trans	-61.1	-46.8	175.5	0	0	0	0	0	112.3	K587 I589 Q594 E595	K587-G591 PolarHBondContact O-N 2.85Å; I589-G591 PolarHBondContact O-N 3.37Å; G591-Q594 PolarHBondContact O-N 2.67Å; G591-E595 PolarHBondContact O-N 3.04Å
592	K	94	Very high	92.4	Very high	109 Å²	109	69.1 Å²	69.1	47%	0.474	35%	0.347	S	S	.	.	H	α-helix	trans	-64.9	-38.2	175.8	-72.3	-173.9	-179.9	-169.5	0	112.8	L561 L588 I589 E595 L596	L561-K592 HydrophobicContact CD1-CB 3.65Å; L588-K592 WeakPolarHBondContact O-CG 3.43Å; L588-K592 PolarHBondContact O-N 3.47Å; L588-K592 VanDerWaalsContact O-N 3.16Å; I589-K592 PolarHBondContact O-N 3.23Å; K592-E595 PolarHBondContact O-N 2.86Å; K592-L596 WeakPolarHBondContact O-CG 3.33Å; K592-L596 PolarHBondContact O-N 2.81Å
593	R	92.5	Very high	92.3	Very high	33 Å²	33	69.2 Å²	69.2	13%	0.125	35%	0.348	C	S	.	.	H	α-helix	trans	-61.5	-46.3	174.9	-77.4	178.9	62.2	-170	-4.4	111.2	D497 L561 I589 S590 E595 L596 V597	D497-R593 VanDerWaalsContact CG-NH1 3.33Å; D497-R593 IonicContact OD1-CZ 3.58Å; D497-R593 IonicContact OD1-NH1 2.73Å; D497-R593 PolarHBondContact OD1-NH1 2.97Å; D497-R593 IonicContact OD1-NH2 3.54Å; D497-R593 IonicContact OD2-CZ 3.35Å; D497-R593 IonicContact OD2-NH1 3.15Å; D497-R593 PolarHBondContact OD2-NH1 3.47Å; D497-R593 VanDerWaalsContact OD2-NH1 3.15Å; D497-R593 IonicContact OD2-NH2 2.69Å; D497-R593 PolarHBondContact OD2-NH2 3.45Å; L561-R593 HydrophobicContact CB-CG 3.43Å; L561-R593 VanDerWaalsContact CB-CG 3.43Å; L561-R593 HydrophobicContact CD1-CB 4.44Å; L561-R593 HydrophobicContact CD1-CG 3.67Å; L561-R593 HydrophobicContact CG-CG 4.21Å; I589-R593 HydrophobicContact CG2-CG 4.41Å; I589-R593 WeakPolarHBondContact O-CG 3.49Å; I589-R593 PolarHBondContact O-N 2.96Å; S590-R593 PolarHBondContact O-N 3.03Å; R593-E595 VanDerWaalsContact C-N 3.34Å; R593-E595 PolarHBondContact O-N 2.93Å; R593-L596 PolarHBondContact O-N 3.3Å; R593-V597 WeakPolarHBondContact O-CG2 3.38Å; R593-V597 PolarHBondContact O-N 3.39Å
594	Q	91.9	Very high	92.2	Very high	116 Å²	116	65.7 Å²	65.7	54%	0.542	33%	0.331	S	S	.	.	H	α-helix	trans	-61.7	-43.6	178.9	-172.2	59.4	40.3	0	0	111.1	S590 G591 L596 V597 T598	S590-Q594 WeakPolarHBondContact O-CB 3.33Å; S590-Q594 PolarHBondContact O-N 3.25Å; G591-Q594 PolarHBondContact O-N 2.67Å; Q594-L596 VanDerWaalsContact C-N 3.35Å; Q594-L596 PolarHBondContact O-N 3.31Å; Q594-V597 PolarHBondContact O-N 2.95Å; Q594-T598 PolarHBondContact NE2-OG1 2.63Å; Q594-T598 WeakPolarHBondContact O-CB 3.35Å; Q594-T598 PolarHBondContact O-N 2.7Å; Q594-T598 PolarHBondContact O-OG1 3.15Å
595	E	94	Very high	91.9	Very high	104 Å²	104	65.7 Å²	65.7	49%	0.486	34%	0.335	S	S	.	.	H	α-helix	trans	-59.1	-43.8	176.2	-167.8	-164.6	146.4	0	0	112.4	G591 K592 R593 K599	G591-E595 PolarHBondContact O-N 3.04Å; K592-E595 PolarHBondContact O-N 2.86Å; R593-E595 VanDerWaalsContact C-N 3.34Å; R593-E595 PolarHBondContact O-N 2.93Å; E595-K599 WeakPolarHBondContact O-CG 3.31Å; E595-K599 PolarHBondContact O-N 3.02Å; E595-K599 IonicContact OE1-NZ 2.7Å; E595-K599 PolarHBondContact OE1-NZ 3.35Å
596	L	93.9	Very high	91.5	Very high	14 Å²	14	66.4 Å²	66.4	7%	0.073	35%	0.347	C	S	.	.	H	α-helix	trans	-68.9	-42	178.2	-71.5	173	0	0	0	112.8	L554 Q557 V558 L561 K592 R593 Q594 T598 K599 I600	L554-L596 HydrophobicContact CD2-CD2 3.76Å; Q557-L596 HydrophobicContact CB-CD1 3.56Å; Q557-L596 HydrophobicContact CB-CD2 4.44Å; V558-L596 HydrophobicContact CG2-CB 3.55Å; V558-L596 HydrophobicContact CG2-CD1 4.1Å; V558-L596 HydrophobicContact CG2-CG 4.49Å; L561-L596 HydrophobicContact CD1-CD1 3.72Å; K592-L596 WeakPolarHBondContact O-CG 3.33Å; K592-L596 PolarHBondContact O-N 2.81Å; R593-L596 PolarHBondContact O-N 3.3Å; Q594-L596 VanDerWaalsContact C-N 3.35Å; Q594-L596 PolarHBondContact O-N 3.31Å; L596-T598 VanDerWaalsContact C-N 3.34Å; L596-K599 WeakPolarHBondContact O-CB 3.48Å; L596-K599 PolarHBondContact O-N 2.83Å; L596-I600 WeakPolarHBondContact O-CG1 3.36Å; L596-I600 PolarHBondContact O-N 2.9Å
597	V	91.8	Very high	90.9	Very high	21 Å²	21	66.3 Å²	66.3	13%	0.127	35%	0.348	C	S	.	.	H	α-helix	trans	-63	-44	175.5	171.5	0	0	0	0	109.9	V558 R593 Q594 K599 I600 D601	V558-V597 HydrophobicContact CG1-CG2 4.24Å; V558-V597 HydrophobicContact CG2-CG2 4.17Å; R593-V597 WeakPolarHBondContact O-CG2 3.38Å; R593-V597 PolarHBondContact O-N 3.39Å; Q594-V597 PolarHBondContact O-N 2.95Å; V597-K599 VanDerWaalsContact C-N 3.31Å; V597-K599 PolarHBondContact O-N 3.26Å; V597-I600 CarbonylContact O-C 3.57Å; V597-I600 WeakPolarHBondContact O-CA 3.44Å; V597-I600 WeakPolarHBondContact O-CB 3.12Å; V597-I600 PolarHBondContact O-N 3.02Å; V597-D601 VanDerWaalsContact O-CG 3.26Å; V597-D601 PolarHBondContact O-N 3.12Å
598	T	92.6	Very high	90.9	Very high	52 Å²	52	61.3 Å²	61.3	32%	0.319	33%	0.329	S	S	.	.	H	α-helix	trans	-59.3	-41.2	174.3	-63.8	0	0	0	0	111.5	Q594 L596 I600 D601 H602	Q594-T598 PolarHBondContact NE2-OG1 2.63Å; Q594-T598 WeakPolarHBondContact O-CB 3.35Å; Q594-T598 PolarHBondContact O-N 2.7Å; Q594-T598 PolarHBondContact O-OG1 3.15Å; L596-T598 VanDerWaalsContact C-N 3.34Å; T598-I600 VanDerWaalsContact C-N 3.33Å; T598-I600 PolarHBondContact O-N 2.83Å; T598-D601 PolarHBondContact O-N 3.35Å; T598-H602 VanDerWaalsContact CG2-CE1 3.4Å; T598-H602 WeakPolarHBondContact CG2-CE1 3.24Å; T598-H602 PolarHBondContact O-N 3.22Å; T598-H602 PolarHBondContact O-ND1 3.24Å
599	K	93.9	Very high	90.7	Very high	94 Å²	94	59.2 Å²	59.2	41%	0.409	32%	0.319	S	S	.	.	H	α-helix	trans	-63.2	-37.7	173.4	-74.3	168.9	172.1	166.2	0	112.8	L554 E595 L596 V597 I603	L554-K599 HydrophobicContact CD1-CB 3.73Å; L554-K599 HydrophobicContact CD2-CD 4.45Å; E595-K599 WeakPolarHBondContact O-CG 3.31Å; E595-K599 PolarHBondContact O-N 3.02Å; E595-K599 IonicContact OE1-NZ 2.7Å; E595-K599 PolarHBondContact OE1-NZ 3.35Å; L596-K599 WeakPolarHBondContact O-CB 3.48Å; L596-K599 PolarHBondContact O-N 2.83Å; V597-K599 VanDerWaalsContact C-N 3.31Å; V597-K599 PolarHBondContact O-N 3.26Å; K599-I603 WeakPolarHBondContact O-CG1 3.3Å; K599-I603 PolarHBondContact O-N 3.42Å
600	I	92.4	Very high	90.6	Very high	1 Å²	1	62.1 Å²	62.1	1%	0.005	34%	0.335	C	S	.	.	H	α-helix	trans	-63.4	-46.9	173.7	-70	165.5	0	0	0	110.1	V486 I490 M551 L554 D555 V558 L596 V597 T598 H602 I603 L604	V486-I600 HydrophobicContact CG1-CG2 3.94Å; I490-I600 HydrophobicContact CD1-CG2 4.35Å; M551-I600 HydrophobicContact CG-CG1 4.45Å; M551-I600 HydrophobicContact CG-CG2 3.96Å; L554-I600 HydrophobicContact CB-CD1 4.09Å; L554-I600 HydrophobicContact CB-CG1 3.73Å; L554-I600 HydrophobicContact CD1-CG1 4.16Å; D555-I600 HydrophobicContact CB-CD1 4.01Å; V558-I600 HydrophobicContact CG2-CD1 3.93Å; L596-I600 WeakPolarHBondContact O-CG1 3.36Å; L596-I600 PolarHBondContact O-N 2.9Å; V597-I600 CarbonylContact O-C 3.57Å; V597-I600 WeakPolarHBondContact O-CA 3.44Å; V597-I600 WeakPolarHBondContact O-CB 3.12Å; V597-I600 PolarHBondContact O-N 3.02Å; T598-I600 VanDerWaalsContact C-N 3.33Å; T598-I600 PolarHBondContact O-N 2.83Å; I600-H602 VanDerWaalsContact C-N 3.33Å; I600-H602 PolarHBondContact O-N 3.36Å; I600-I603 WeakPolarHBondContact O-CA 3.45Å; I600-I603 WeakPolarHBondContact O-CB 3.35Å; I600-I603 PolarHBondContact O-N 3.44Å; I600-L604 HydrophobicContact CG2-CD1 3.92Å; I600-L604 HydrophobicContact CG2-CG 4.2Å; I600-L604 WeakPolarHBondContact O-CG 3.41Å; I600-L604 PolarHBondContact O-N 3.37Å
601	D	90.7	Very high	90.6	Very high	56 Å²	56	61.8 Å²	61.8	30%	0.299	33%	0.327	S	S	.	.	H	α-helix	trans	-59.2	-43.4	179.2	-63.3	-26.5	0	0	0	111.3	V597 T598 I603 L604 D605	V597-D601 VanDerWaalsContact O-CG 3.26Å; V597-D601 PolarHBondContact O-N 3.12Å; T598-D601 PolarHBondContact O-N 3.35Å; D601-I603 VanDerWaalsContact C-N 3.26Å; D601-I603 PolarHBondContact O-N 3.2Å; D601-L604 WeakPolarHBondContact O-CB 3.33Å; D601-L604 PolarHBondContact O-N 3.3Å; D601-L604 VanDerWaalsContact O-N 3.08Å; D601-D605 PolarHBondContact O-N 3.19Å
602	H	91.6	Very high	90.5	Very high	126 Å²	126	63 Å²	63	58%	0.583	32%	0.32	S	S	*	.	H	α-helix	trans	-62.2	-31.3	174.6	-74.5	81.6	0	0	0	113.4	T598 I600	T598-H602 VanDerWaalsContact CG2-CE1 3.4Å; T598-H602 WeakPolarHBondContact CG2-CE1 3.24Å; T598-H602 PolarHBondContact O-N 3.22Å; T598-H602 PolarHBondContact O-ND1 3.24Å; I600-H602 VanDerWaalsContact C-N 3.33Å; I600-H602 PolarHBondContact O-N 3.36Å
603	I	90	Very high	90.3	Very high	10 Å²	10	59.9 Å²	59.9	5%	0.051	31%	0.31	C	S	.	.	H	α-helix	trans	-72.9	-41.7	173.9	-66.7	168.7	0	0	0	109.9	R547 E550 M551 L554 K599 I600 D601 D605 A606 L607	R547-I603 HydrophobicContact CB-CG2 3.94Å; E550-I603 HydrophobicContact CB-CD1 4.14Å; E550-I603 HydrophobicContact CG-CD1 3.76Å; M551-I603 HydrophobicContact CB-CD1 4.23Å; M551-I603 HydrophobicContact CB-CG2 4.04Å; L554-I603 HydrophobicContact CD1-CD1 3.58Å; K599-I603 WeakPolarHBondContact O-CG1 3.3Å; K599-I603 PolarHBondContact O-N 3.42Å; I600-I603 WeakPolarHBondContact O-CA 3.45Å; I600-I603 WeakPolarHBondContact O-CB 3.35Å; I600-I603 PolarHBondContact O-N 3.44Å; D601-I603 VanDerWaalsContact C-N 3.26Å; D601-I603 PolarHBondContact O-N 3.2Å; I603-D605 VanDerWaalsContact C-N 3.34Å; I603-A606 PolarHBondContact O-N 2.9Å; I603-A606 VanDerWaalsContact O-N 3.16Å; I603-L607 WeakPolarHBondContact O-CG 3.49Å; I603-L607 PolarHBondContact O-N 2.93Å
604	L	88.7	Confident	90.1	Very high	12 Å²	12	61.9 Å²	61.9	6%	0.063	32%	0.323	C	S	.	.	H	α-helix	trans	-64.3	-37.3	178.6	-65.6	173.2	0	0	0	112.4	L483 V486 I600 D601 A606 L607	L483-L604 HydrophobicContact CD1-CB 3.95Å; L483-L604 HydrophobicContact CD1-CD1 4.09Å; L483-L604 HydrophobicContact CD1-CD2 3.89Å; L483-L604 HydrophobicContact CD1-CG 4.18Å; V486-L604 HydrophobicContact CB-CD1 4.42Å; V486-L604 HydrophobicContact CB-CD2 4.07Å; V486-L604 HydrophobicContact CG1-CD1 3.71Å; V486-L604 HydrophobicContact CG1-CD2 3.99Å; V486-L604 HydrophobicContact CG1-CG 4.35Å; V486-L604 HydrophobicContact CG2-CD2 4.21Å; I600-L604 HydrophobicContact CG2-CD1 3.92Å; I600-L604 HydrophobicContact CG2-CG 4.2Å; I600-L604 WeakPolarHBondContact O-CG 3.41Å; I600-L604 PolarHBondContact O-N 3.37Å; D601-L604 WeakPolarHBondContact O-CB 3.33Å; D601-L604 PolarHBondContact O-N 3.3Å; D601-L604 VanDerWaalsContact O-N 3.08Å; L604-A606 PolarHBondContact O-N 3.48Å; L604-L607 HydrophobicContact CD2-CD1 4.05Å; L604-L607 PolarHBondContact O-N 3.49Å
605	D	87.4	Confident	90	Very high	140 Å²	140	57.7 Å²	57.7	75%	0.749	31%	0.306	S	S	*	.	T	Hydrogen-bonded Turn	trans	-68.1	-19.9	175.6	-71.3	-21.5	0	0	0	113	D601 I603	D601-D605 PolarHBondContact O-N 3.19Å; I603-D605 VanDerWaalsContact C-N 3.34Å
606	A	83.7	Confident	89.6	Confident	61 Å²	61	53.8 Å²	53.8	50%	0.504	29%	0.291	S	S	.	.	T	Hydrogen-bonded Turn	trans	-97.3	-6.2	179.2	0	0	0	0	0	113.6	I603 L604	I603-A606 PolarHBondContact O-N 2.9Å; I603-A606 VanDerWaalsContact O-N 3.16Å; L604-A606 PolarHBondContact O-N 3.48Å
607	L	79	Confident	89.3	Confident	59 Å²	59	57.5 Å²	57.5	31%	0.309	31%	0.311	S	S	.	.			trans	-83.7	0	173.6	-76.8	-177.7	0	0	0	109.9	T479 V482 L544 R547 V548 I603 L604	T479-L607 HydrophobicContact CG2-CB 3.62Å; T479-L607 HydrophobicContact CG2-CG 4.5Å; V482-L607 HydrophobicContact CG1-CD1 4.42Å; L544-L607 HydrophobicContact CB-CD2 3.85Å; L544-L607 HydrophobicContact CD1-CD2 4.4Å; L544-L607 HydrophobicContact CD2-CD2 4Å; L544-L607 HydrophobicContact CG-CD2 4.29Å; R547-L607 HydrophobicContact CB-CD2 3.91Å; V548-L607 HydrophobicContact CG2-CD1 4.17Å; V548-L607 HydrophobicContact CG2-CD2 4.11Å; I603-L607 WeakPolarHBondContact O-CG 3.49Å; I603-L607 PolarHBondContact O-N 2.93Å; L604-L607 HydrophobicContact CD2-CD1 4.05Å; L604-L607 PolarHBondContact O-N 3.49Å

Retrieved 607 of 607 residues in 114.2 ms (Link to these results)

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