A0A087X717_POEFO Loading...

Matrix metalloproteinase-9

Matrix metalloproteinase that plays an essential role in local proteolysis of the extracellular matrix and in leukocyte migration. Could play a role in bone osteoclastic resorption. Cleaves KiSS1 at a Gly-|-Leu bond. Cleaves NINJ1 to generate the Secreted ninjurin-1 form. Cleaves type IV and type V collagen into large C-terminal three quarter fragments and shorter N-terminal one quarter fragments. Degrades fibronectin but not laminin or Pz-peptide.

AlphaFold DB , UniProt , Accession A0A087X717, Species POEFO (Poecilia formosa, Amazon molly), Gene n/a, Length 688 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	K	35.2	Very low	34.9	Very low	265 Å²	265	181.1 Å²	181.1	100%	1.152	85%	0.851	S	S	*	*				0	111.3	0	-84.3	176.6	174.7	176	0	108.5
2	R	35.9	Very low	34.4	Very low	249 Å²	249	172 Å²	172	94%	0.94	84%	0.842	S	S	*	*			trans	12.5	119.1	169.3	-67.9	176.7	177	175.1	-2.3	119.7
3	R	32.7	Very low	34.7	Very low	249 Å²	249	171 Å²	171	94%	0.94	84%	0.839	S	S	*	*			trans	-101.3	143.4	147.1	-82.5	-175.3	174.7	178.1	-1.5	109.1
4	I	37.5	Very low	35.1	Very low	155 Å²	155	164.2 Å²	164.2	80%	0.795	84%	0.836	S	S	*	*			trans	-73.9	137.3	-166.2	-70.2	153	0	0	0	111.3
5	V	35.4	Very low	35.1	Very low	136 Å²	136	161.1 Å²	161.1	82%	0.824	83%	0.827	S	S	*	*			trans	-110	117	163.8	175.1	0	0	0	0	107.1
6	T	33.5	Very low	35.1	Very low	107 Å²	107	163.3 Å²	163.3	66%	0.656	83%	0.833	S	S	*	*	P	Polyproline II helix	trans	-85.5	122.7	173.9	-60.7	0	0	0	0	108.8	Y8	T6-Y8 HydrophobicContact CG2-CD2 4.41Å; T6-Y8 HydrophobicContact CG2-CE2 4.38Å
7	L	30.9	Very low	35	Very low	155 Å²	155	161 Å²	161	81%	0.812	82%	0.823	S	S	*	*	P	Polyproline II helix	trans	-90.8	123.8	175.3	-155.1	84.9	0	0	0	108.6
8	Y	31.2	Very low	34.9	Very low	218 Å²	218	155.9 Å²	155.9	86%	0.855	82%	0.817	S	S	*	*	P	Polyproline II helix	trans	-99.3	128.4	166.8	-96.7	-85.4	0	0	0	109.7	T6	T6-Y8 HydrophobicContact CG2-CD2 4.41Å; T6-Y8 HydrophobicContact CG2-CE2 4.38Å
9	I	40.1	Very low	34.7	Very low	144 Å²	144	160 Å²	160	74%	0.738	82%	0.821	S	S	*	*	P	Polyproline II helix	trans	-81.8	143.3	169.2	-68.2	168.1	0	0	0	108.4
10	L	32.6	Very low	34.8	Very low	148 Å²	148	157.9 Å²	157.9	78%	0.775	82%	0.821	S	S	*	*			trans	-179	121.7	133.4	-93.5	153.2	0	0	0	113.7
11	L	38.8	Very low	34.6	Very low	166 Å²	166	157.5 Å²	157.5	87%	0.869	82%	0.819	S	S	*	*			trans	55.9	129.4	141.6	-75.8	162.3	0	0	0	122.8
12	G	29.6	Very low	34.6	Very low	72 Å²	72	150.4 Å²	150.4	74%	0.742	80%	0.8	S	S	*	*			trans	-174.2	80.6	163.7	0	0	0	0	0	114.4
13	I	37.5	Very low	34.5	Very low	159 Å²	159	144.9 Å²	144.9	82%	0.815	79%	0.794	S	S	*	*			trans	23.1	125	145.4	-56.4	167.7	0	0	0	118.5
14	G	40	Very low	34.7	Very low	76 Å²	76	142.1 Å²	142.1	78%	0.784	79%	0.788	S	S	*	*			trans	-70.5	140.8	171.2	0	0	0	0	0	113.9
15	V	35.4	Very low	35.1	Very low	117 Å²	117	140 Å²	140	71%	0.709	79%	0.787	S	S	*	*			trans	-127.2	115.8	162.4	178.7	0	0	0	0	106.4	N17	V15-N17 PolarHBondContact O-N 3Å
16	Q	35.5	Very low	36	Very low	197 Å²	197	137.1 Å²	137.1	92%	0.921	77%	0.77	S	S	*	*			trans	-65	100.9	163.8	-78.1	-176.8	-40.4	0	0	107.4	G18	Q16-G18 PolarHBondContact O-N 3.07Å; Q16-G18 VanDerWaalsContact O-N 3.11Å
17	N	33.1	Very low	37.3	Very low	124 Å²	124	135.9 Å²	135.9	66%	0.663	76%	0.756	S	S	*	*			trans	-71.5	100.3	163.4	-76.6	-21.6	0	0	0	107.4	V15 W19	V15-N17 PolarHBondContact O-N 3Å; N17-W19 PolarHBondContact O-N 2.92Å
18	G	32.6	Very low	39.2	Very low	70 Å²	70	130.1 Å²	130.1	72%	0.722	73%	0.727	S	S	*	*			trans	-63.4	110.4	157.5	0	0	0	0	0	107.9	Q16 S20	Q16-G18 PolarHBondContact O-N 3.07Å; Q16-G18 VanDerWaalsContact O-N 3.11Å; G18-S20 PolarHBondContact O-N 3.2Å; G18-S20 VanDerWaalsContact O-N 3.1Å
19	W	32.7	Very low	41.2	Very low	233 Å²	233	124.1 Å²	124.1	88%	0.883	71%	0.713	S	S	*	*			trans	-76	94.5	170.1	-75.6	46.8	0	0	0	107.2	N17 L21	N17-W19 PolarHBondContact O-N 2.92Å; W19-L21 PolarHBondContact O-N 3.43Å; W19-L21 VanDerWaalsContact O-N 3.08Å
20	S	35.1	Very low	42.8	Very low	117 Å²	117	117.5 Å²	117.5	82%	0.818	68%	0.679	S	S	*	*			trans	-63.3	104.8	158.9	-49.6	0	0	0	0	106.9	G18	G18-S20 PolarHBondContact O-N 3.2Å; G18-S20 VanDerWaalsContact O-N 3.1Å
21	L	31.1	Very low	44.7	Very low	151 Å²	151	112.5 Å²	112.5	79%	0.791	66%	0.655	S	S	*	*			trans	-54.8	133.6	166.3	-78.6	154.8	0	0	0	107.9	W19 V23	W19-L21 PolarHBondContact O-N 3.43Å; W19-L21 VanDerWaalsContact O-N 3.08Å; L21-V23 PolarHBondContact O-N 2.98Å; L21-V23 VanDerWaalsContact O-N 3.11Å
22	P	34.8	Very low	45.6	Very low	115 Å²	115	107.5 Å²	107.5	75%	0.747	64%	0.644	S	S	*	*			trans	-61.5	120.8	172.6	25.1	-30.1	0	0	0	107.6	K24	P22-K24 PolarHBondContact O-N 3.01Å
23	V	35.5	Very low	47.2	Very low	133 Å²	133	105.5 Å²	105.5	81%	0.806	62%	0.616	S	S	*	*			trans	-56.2	113.6	171	-179.6	0	0	0	0	106.3	L21 S25	L21-V23 PolarHBondContact O-N 2.98Å; L21-V23 VanDerWaalsContact O-N 3.11Å; V23-S25 PolarHBondContact O-N 3.41Å
24	K	36.3	Very low	47.9	Very low	191 Å²	191	102.7 Å²	102.7	83%	0.83	61%	0.606	S	S	*	*			trans	-65.4	100.9	170.9	-79.7	-177.3	175.2	-179.3	0	106.7	P22 V26	P22-K24 PolarHBondContact O-N 3.01Å; K24-V26 PolarHBondContact O-N 3.48Å; K24-V26 VanDerWaalsContact O-N 3.11Å
25	S	45.7	Very low	48.5	Very low	110 Å²	110	101.2 Å²	101.2	77%	0.769	58%	0.58	S	S	*	*			trans	-64.4	109.9	165.6	58.3	0	0	0	0	107.6	V23	V23-S25 PolarHBondContact O-N 3.41Å
26	V	54.7	Low	49.1	Very low	76 Å²	76	103.1 Å²	103.1	46%	0.461	58%	0.579	S	S	.	*			trans	-77.3	122.8	174	178.3	0	0	0	0	107.6	K24 V28 G365	K24-V26 PolarHBondContact O-N 3.48Å; K24-V26 VanDerWaalsContact O-N 3.11Å; V26-V28 HydrophobicContact CG1-CG2 4.39Å; V26-G365 WeakPolarHBondContact O-CA 3.2Å
27	F	60.7	Low	49.9	Very low	82 Å²	82	99.6 Å²	99.6	36%	0.36	57%	0.566	S	S	.	*			trans	-82.1	132.7	175	-179.1	-103.7	0	0	0	109.8	T367	F27-T367 HydrophobicContact CD2-CG2 3.67Å; F27-T367 HydrophobicContact CE2-CG2 3.84Å
28	V	70.6	Confident	51.3	Low	33 Å²	33	96.6 Å²	96.6	20%	0.2	55%	0.552	C	S	.	*			trans	-127.7	135.8	178.5	-176.2	0	0	0	0	109.2	V26 F30 F353 G365	V26-V28 HydrophobicContact CG1-CG2 4.39Å; V28-F30 HydrophobicContact CB-CE2 4.32Å; V28-F353 HydrophobicContact CB-CZ 4.45Å; V28-F353 HydrophobicContact CG2-CE2 4.43Å; V28-F353 HydrophobicContact CG2-CZ 3.96Å; V28-G365 PolarHBondContact N-O 2.83Å
29	T	72.6	Confident	53.6	Low	93 Å²	93	96.8 Å²	96.8	57%	0.571	54%	0.539	S	S	*	.	P	Polyproline II helix	trans	-84.9	117	167.5	-50.5	0	0	0	0	108.5
30	F	74.8	Confident	55.9	Low	5 Å²	5	89.1 Å²	89.1	2%	0.022	52%	0.515	C	S	.	.	P	Polyproline II helix	trans	-81.7	142.9	178.9	-70.9	-97.6	0	0	0	111.2	V28 D33 F353 R366 W372 Y379 W385	V28-F30 HydrophobicContact CB-CE2 4.32Å; F30-D33 HydrophobicContact CB-CB 3.91Å; F30-D33 WeakPolarHBondContact O-CB 3.43Å; F30-D33 PolarHBondContact O-N 3.17Å; F30-F353 HydrophobicContact CE1-CE2 4.4Å; F30-F353 HydrophobicContact CZ-CE2 4.33Å; F30-F353 HydrophobicContact CZ-CZ 4.04Å; F30-R366 HydrophobicContact CD2-CG 4.38Å; F30-R366 HydrophobicContact CE2-CG 3.74Å; F30-R366 HydrophobicContact CZ-CG 4.38Å; F30-W372 AromaticContact CE1-CD2 3.79Å; F30-W372 HydrophobicContact CE1-CD2 3.79Å; F30-W372 AromaticContact CE1-CE2 3.49Å; F30-W372 VanDerWaalsContact CE1-CE2 3.49Å; F30-W372 AromaticContact CE1-CE3 3.94Å; F30-W372 HydrophobicContact CE1-CE3 3.94Å; F30-W372 AromaticContact CE1-CH2 3.61Å; F30-W372 HydrophobicContact CE1-CH2 3.61Å; F30-W372 AromaticContact CE1-CZ2 3.42Å; F30-W372 HydrophobicContact CE1-CZ2 3.42Å; F30-W372 VanDerWaalsContact CE1-CZ2 3.42Å; F30-W372 AromaticContact CE1-CZ3 3.86Å; F30-W372 HydrophobicContact CE1-CZ3 3.86Å; F30-W372 HydrophobicContact CZ-CD2 4.05Å; F30-W372 AromaticContact CZ-CE2 3.4Å; F30-W372 HydrophobicContact CZ-CH2 4.15Å; F30-W372 AromaticContact CZ-CZ2 3.48Å; F30-W372 HydrophobicContact CZ-CZ2 3.48Å; F30-W372 VanDerWaalsContact CZ-CZ2 3.48Å; F30-W372 AromaticContact CZ-NE1 3.55Å; F30-Y379 AromaticContact CD1-CE2 3.83Å; F30-Y379 HydrophobicContact CD1-CE2 3.83Å; F30-Y379 AromaticContact CD1-CZ 3.55Å; F30-Y379 WeakPolarHBondContact CD1-OH 3.24Å; F30-Y379 HydrophobicContact CE1-CE1 4.29Å; F30-Y379 AromaticContact CE1-CE2 3.99Å; F30-Y379 HydrophobicContact CE1-CE2 3.99Å; F30-Y379 AromaticContact CE1-CZ 3.68Å; F30-W385 HydrophobicContact CB-CD2 4.2Å; F30-W385 VanDerWaalsContact CB-CE2 3.44Å; F30-W385 HydrophobicContact CB-CH2 4.01Å; F30-W385 HydrophobicContact CB-CZ2 3.34Å; F30-W385 AromaticContact CD1-CD2 3.68Å; F30-W385 HydrophobicContact CD1-CD2 3.68Å; F30-W385 AromaticContact CD1-CE2 3.83Å; F30-W385 HydrophobicContact CD1-CE3 4.05Å; F30-W385 HydrophobicContact CD1-CG 4.01Å; F30-W385 HydrophobicContact CD1-CZ2 4.32Å; F30-W385 HydrophobicContact CD1-CZ3 4.49Å; F30-W385 HydrophobicContact CE1-CD2 4.49Å; F30-W385 HydrophobicContact CG-CD2 4.21Å; F30-W385 AromaticContact CG-CE2 3.95Å; F30-W385 HydrophobicContact CG-CE3 4.49Å; F30-W385 HydrophobicContact CG-CH2 4.28Å; F30-W385 AromaticContact CG-CZ2 4Å; F30-W385 HydrophobicContact CG-CZ2 4Å
31	P	70.9	Confident	58.1	Low	43 Å²	43	87.6 Å²	87.6	28%	0.279	50%	0.501	S	S	.	.	T	Hydrogen-bonded Turn	trans	-65.7	135.6	175.7	-20	32.3	0	0	0	111.8	D33 Y379 Q383 W385	P31-D33 PolarHBondContact O-N 2.9Å; P31-Y379 VanDerWaalsContact CD-OH 3.27Å; P31-Y379 WeakPolarHBondContact CD-OH 3.44Å; P31-Q383 HydrophobicContact CG-CB 4.04Å; P31-W385 PolarHBondContact O-NE1 3.34Å
32	G	59.2	Low	60.5	Low	61 Å²	61	85.2 Å²	85.2	63%	0.629	49%	0.486	S	S	*	.	T	Hydrogen-bonded Turn	trans	80.4	-7.1	-176.1	0	0	0	0	0	114.2	V34	G32-V34 PolarHBondContact O-N 2.92Å
33	D	63.2	Low	62.9	Low	29 Å²	29	81.9 Å²	81.9	16%	0.155	46%	0.462	C	S	.	.			trans	-75.8	122.7	178.7	-150.6	-1.5	0	0	0	110.3	F30 P31 I35 R366 W385	F30-D33 HydrophobicContact CB-CB 3.91Å; F30-D33 WeakPolarHBondContact O-CB 3.43Å; F30-D33 PolarHBondContact O-N 3.17Å; P31-D33 PolarHBondContact O-N 2.9Å; D33-I35 PolarHBondContact O-N 3.28Å; D33-I35 VanDerWaalsContact O-N 3.11Å; D33-I35 WeakPolarHBondContact OD2-CD1 3.43Å; D33-I35 WeakPolarHBondContact OD2-CG1 3.03Å; D33-R366 IonicContact OD1-NH1 3.38Å; D33-R366 IonicContact OD1-NH2 3.07Å; D33-R366 PolarHBondContact OD1-NH2 3.47Å; D33-R366 IonicContact OD2-CZ 3.73Å; D33-R366 IonicContact OD2-NH1 2.66Å; D33-R366 PolarHBondContact OD2-NH1 2.81Å; D33-R366 IonicContact OD2-NH2 2.76Å; D33-R366 PolarHBondContact OD2-NH2 2.63Å; D33-W385 HydrophobicContact CB-CH2 4.36Å; D33-W385 HydrophobicContact CB-CZ2 3.91Å
34	V	52.4	Low	65.3	Low	101 Å²	101	75.7 Å²	75.7	61%	0.612	42%	0.424	S	S	*	.			trans	-82.4	29.4	174.6	-160.4	0	0	0	0	110.5	G32 K36	G32-V34 PolarHBondContact O-N 2.92Å; V34-K36 PolarHBondContact O-N 2.98Å
35	I	50.5	Low	67.5	Low	44 Å²	44	69.8 Å²	69.8	23%	0.226	40%	0.4	C	S	.	.			trans	-70.2	76.5	160.8	-51	172.4	0	0	0	107.1	D33 N37	D33-I35 PolarHBondContact O-N 3.28Å; D33-I35 VanDerWaalsContact O-N 3.11Å; D33-I35 WeakPolarHBondContact OD2-CD1 3.43Å; D33-I35 WeakPolarHBondContact OD2-CG1 3.03Å; I35-N37 PolarHBondContact O-N 2.94Å
36	K	49.2	Very low	69.3	Low	158 Å²	158	67.6 Å²	67.6	69%	0.687	39%	0.385	S	S	*	.			trans	-53.9	125.6	148	-72.4	176.5	-175.2	169.3	0	104	V34 V38	V34-K36 PolarHBondContact O-N 2.98Å; K36-V38 HydrophobicContact CB-CG2 3.27Å; K36-V38 HydrophobicContact CD-CG2 4.41Å; K36-V38 HydrophobicContact CG-CG2 4.46Å; K36-V38 WeakPolarHBondContact O-CG2 3.3Å; K36-V38 PolarHBondContact O-N 3.15Å
37	N	51.9	Low	70.9	Confident	122 Å²	122	64.7 Å²	64.7	65%	0.652	37%	0.365	S	S	*	.			trans	-66.5	68.3	166.4	-89.7	-20.2	0	0	0	107.7	I35	I35-N37 PolarHBondContact O-N 2.94Å
38	V	63.1	Low	72.1	Confident	61 Å²	61	60.8 Å²	60.8	37%	0.37	35%	0.348	S	S	.	.			trans	-78.7	120.9	178.8	-169.7	0	0	0	0	105.2	K36 E42 L43	K36-V38 HydrophobicContact CB-CG2 3.27Å; K36-V38 HydrophobicContact CD-CG2 4.41Å; K36-V38 HydrophobicContact CG-CG2 4.46Å; K36-V38 WeakPolarHBondContact O-CG2 3.3Å; K36-V38 PolarHBondContact O-N 3.15Å; V38-E42 HydrophobicContact CG1-CB 3.29Å; V38-L43 HydrophobicContact CG1-CB 4.05Å
39	T	79.6	Confident	72.7	Confident	74 Å²	74	63.5 Å²	63.5	45%	0.454	36%	0.357	S	S	.	.			trans	-60.2	151.4	170.7	60.1	0	0	0	0	109.3	V41 E42 L43	T39-V41 PolarHBondContact O-N 3.4Å; T39-E42 PolarHBondContact N-OE2 3.01Å; T39-E42 PolarHBondContact O-N 2.96Å; T39-E42 VanDerWaalsContact OG1-CD 3.32Å; T39-E42 VanDerWaalsContact OG1-CG 3.26Å; T39-E42 WeakPolarHBondContact OG1-CG 3.49Å; T39-E42 PolarHBondContact OG1-N 2.83Å; T39-E42 PolarHBondContact OG1-OE2 3.21Å; T39-L43 PolarHBondContact O-N 3.47Å
40	D	81.9	Confident	73.1	Confident	72 Å²	72	63.1 Å²	63.1	39%	0.385	35%	0.346	S	S	.	.	H	α-helix	trans	-52	-31.2	176.4	-78.6	-28.3	0	0	0	111.7	A44 L87 L92 K96	D40-A44 WeakPolarHBondContact O-CB 3.33Å; D40-A44 PolarHBondContact O-N 2.91Å; D40-L87 HydrophobicContact CB-CD2 4.14Å; D40-L87 WeakPolarHBondContact O-CD2 3.36Å; D40-L92 HydrophobicContact CB-CD1 4.03Å; D40-L92 HydrophobicContact CB-CD2 3.72Å; D40-K96 IonicContact OD1-NZ 2.8Å; D40-K96 PolarHBondContact OD1-NZ 2.02Å
41	V	81.3	Confident	73.5	Confident	86 Å²	86	63.2 Å²	63.2	52%	0.521	35%	0.346	S	S	.	.	H	α-helix	trans	-67.8	-48.4	175.2	179.4	0	0	0	0	112.3	T39 L43 A44 E45	T39-V41 PolarHBondContact O-N 3.4Å; V41-L43 VanDerWaalsContact C-N 3.29Å; V41-L43 PolarHBondContact O-N 3.31Å; V41-A44 PolarHBondContact O-N 3.1Å; V41-E45 WeakPolarHBondContact O-CG 3.38Å; V41-E45 PolarHBondContact O-N 2.83Å
42	E	82.4	Confident	73.7	Confident	100 Å²	100	61.5 Å²	61.5	47%	0.467	34%	0.336	S	S	.	.	H	α-helix	trans	-65	-35.2	178.1	-73	163.6	151.1	0	0	111.6	V38 T39 E45 S46	V38-E42 HydrophobicContact CG1-CB 3.29Å; T39-E42 PolarHBondContact N-OE2 3.01Å; T39-E42 PolarHBondContact O-N 2.96Å; T39-E42 VanDerWaalsContact OG1-CD 3.32Å; T39-E42 VanDerWaalsContact OG1-CG 3.26Å; T39-E42 WeakPolarHBondContact OG1-CG 3.49Å; T39-E42 PolarHBondContact OG1-N 2.83Å; T39-E42 PolarHBondContact OG1-OE2 3.21Å; E42-E45 PolarHBondContact O-N 2.53Å; E42-S46 WeakPolarHBondContact O-CB 3.47Å; E42-S46 PolarHBondContact O-N 2.69Å; E42-S46 PolarHBondContact O-OG 3.12Å
43	L	84.2	Confident	74.6	Confident	45 Å²	45	59 Å²	59	24%	0.236	31%	0.308	C	S	.	.	H	α-helix	trans	-62.4	-48.4	173.1	173.1	66.1	0	0	0	110	V38 T39 V41 E45 S46 Y47 K96	V38-L43 HydrophobicContact CG1-CB 4.05Å; T39-L43 PolarHBondContact O-N 3.47Å; V41-L43 VanDerWaalsContact C-N 3.29Å; V41-L43 PolarHBondContact O-N 3.31Å; L43-E45 VanDerWaalsContact C-N 3.33Å; L43-E45 PolarHBondContact O-N 3.06Å; L43-S46 PolarHBondContact O-N 2.86Å; L43-S46 PolarHBondContact O-OG 2.99Å; L43-Y47 WeakPolarHBondContact O-CB 3.44Å; L43-Y47 PolarHBondContact O-N 2.91Å; L43-K96 HydrophobicContact CD2-CD 4.3Å; L43-K96 VanDerWaalsContact CD2-CE 3.41Å; L43-K96 HydrophobicContact CD2-CG 3.81Å
44	A	85.6	Confident	75.2	Confident	3 Å²	3	58.8 Å²	58.8	3%	0.025	31%	0.306	C	S	.	.	H	α-helix	trans	-61.3	-42.6	177.7	0	0	0	0	0	111.5	D40 V41 L48 L87 M95	D40-A44 WeakPolarHBondContact O-CB 3.33Å; D40-A44 PolarHBondContact O-N 2.91Å; V41-A44 PolarHBondContact O-N 3.1Å; A44-L48 VanDerWaalsContact O-CB 3.29Å; A44-L48 WeakPolarHBondContact O-CB 3.34Å; A44-L48 WeakPolarHBondContact O-CD1 3.38Å; A44-L48 WeakPolarHBondContact O-CG 3.47Å; A44-L48 PolarHBondContact O-N 3.29Å; A44-L87 HydrophobicContact CB-CD1 3.69Å; A44-L87 HydrophobicContact CB-CD2 3.89Å; A44-L87 HydrophobicContact CB-CG 4.44Å; A44-M95 HydrophobicContact CB-CE 4.06Å; A44-M95 HydrophobicContact CB-SD 3.86Å
45	E	83.7	Confident	75.7	Confident	68 Å²	68	60.2 Å²	60.2	32%	0.318	31%	0.306	S	S	.	.	H	α-helix	trans	-65.4	-44.1	178.3	-75	-167.7	-178.5	0	0	113	V41 E42 L43 K49 M54	V41-E45 WeakPolarHBondContact O-CG 3.38Å; V41-E45 PolarHBondContact O-N 2.83Å; E42-E45 PolarHBondContact O-N 2.53Å; L43-E45 VanDerWaalsContact C-N 3.33Å; L43-E45 PolarHBondContact O-N 3.06Å; E45-K49 WeakPolarHBondContact O-CB 3.33Å; E45-K49 VanDerWaalsContact O-CG 3.25Å; E45-K49 WeakPolarHBondContact O-CG 3.31Å; E45-K49 PolarHBondContact O-N 2.95Å; E45-K49 VanDerWaalsContact O-N 3.08Å; E45-K49 IonicContact OE2-NZ 3.83Å; E45-M54 HydrophobicContact CB-CE 4.29Å; E45-M54 HydrophobicContact CG-CE 4.33Å
46	S	83.3	Confident	75.8	Confident	64 Å²	64	64 Å²	64	45%	0.448	33%	0.332	S	S	.	.	H	α-helix	trans	-65.2	-43.4	177.6	66.7	0	0	0	0	110.8	E42 L43 K49 R50	E42-S46 WeakPolarHBondContact O-CB 3.47Å; E42-S46 PolarHBondContact O-N 2.69Å; E42-S46 PolarHBondContact O-OG 3.12Å; L43-S46 PolarHBondContact O-N 2.86Å; L43-S46 PolarHBondContact O-OG 2.99Å; S46-K49 PolarHBondContact O-N 3.28Å; S46-R50 VanDerWaalsContact O-CB 3.25Å; S46-R50 WeakPolarHBondContact O-CB 3.37Å; S46-R50 PolarHBondContact O-N 3.23Å
47	Y	87.6	Confident	75.5	Confident	14 Å²	14	63.4 Å²	63.4	6%	0.055	33%	0.331	C	S	.	.	H	α-helix	trans	-58.4	-53.5	175.9	-170	-75	0	0	0	111.2	L43 K49 R50 F51 Y53 M75 M79 M95 R99 M422	L43-Y47 WeakPolarHBondContact O-CB 3.44Å; L43-Y47 PolarHBondContact O-N 2.91Å; Y47-K49 VanDerWaalsContact C-N 3.29Å; Y47-K49 PolarHBondContact O-N 3.11Å; Y47-R50 PolarHBondContact O-N 2.66Å; Y47-F51 AromaticContact CD1-CD2 3.56Å; Y47-F51 HydrophobicContact CD1-CD2 3.56Å; Y47-F51 HydrophobicContact CD1-CE2 4.05Å; Y47-F51 AromaticContact CD2-CD2 3.96Å; Y47-F51 HydrophobicContact CD2-CD2 3.96Å; Y47-F51 AromaticContact CD2-CE2 3.55Å; Y47-F51 HydrophobicContact CD2-CE2 3.55Å; Y47-F51 AromaticContact CE1-CD2 3.45Å; Y47-F51 HydrophobicContact CE1-CD2 3.45Å; Y47-F51 VanDerWaalsContact CE1-CD2 3.45Å; Y47-F51 AromaticContact CE1-CE2 3.91Å; Y47-F51 HydrophobicContact CE1-CE2 3.91Å; Y47-F51 HydrophobicContact CE1-CG 4.37Å; Y47-F51 AromaticContact CE2-CD2 3.88Å; Y47-F51 HydrophobicContact CE2-CD2 3.88Å; Y47-F51 AromaticContact CE2-CE2 3.41Å; Y47-F51 HydrophobicContact CE2-CE2 3.41Å; Y47-F51 VanDerWaalsContact CE2-CE2 3.41Å; Y47-F51 HydrophobicContact CE2-CZ 4.35Å; Y47-F51 AromaticContact CG-CD2 3.79Å; Y47-F51 HydrophobicContact CG-CD2 3.79Å; Y47-F51 AromaticContact CG-CE2 3.85Å; Y47-F51 HydrophobicContact CG-CE2 3.85Å; Y47-F51 AromaticContact CZ-CD2 3.6Å; Y47-F51 AromaticContact CZ-CE2 3.58Å; Y47-F51 WeakPolarHBondContact O-CD2 3.31Å; Y47-F51 PolarHBondContact O-N 3.09Å; Y47-Y53 HydrophobicContact CE1-CE2 4.5Å; Y47-M75 HydrophobicContact CD1-CE 4.28Å; Y47-M75 HydrophobicContact CE1-CE 3.71Å; Y47-M75 HydrophobicContact CE1-CG 4Å; Y47-M79 VanDerWaalsContact OH-CE 3.31Å; Y47-M79 WeakPolarHBondContact OH-CE 3.48Å; Y47-M95 HydrophobicContact CD1-CE 4.16Å; Y47-M95 HydrophobicContact CD1-CG 4.16Å; Y47-M95 HydrophobicContact CD2-CB 3.99Å; Y47-M95 HydrophobicContact CD2-CG 4.04Å; Y47-M95 HydrophobicContact CE1-CG 4.34Å; Y47-M95 HydrophobicContact CE2-CB 4.12Å; Y47-M95 HydrophobicContact CE2-CG 4.21Å; Y47-M95 WeakPolarHBondContact CE2-O 3Å; Y47-M95 HydrophobicContact CG-CB 4.44Å; Y47-M95 HydrophobicContact CG-CE 4.5Å; Y47-M95 HydrophobicContact CG-CG 4.04Å; Y47-M95 HydrophobicContact CG-SD 4.44Å; Y47-R99 VanDerWaalsContact OH-CD 3.29Å; Y47-R99 WeakPolarHBondContact OH-CD 3.09Å; Y47-R99 PolarHBondContact OH-NH1 2.95Å; Y47-M422 WeakPolarHBondContact OH-CE 3.38Å
48	L	87.2	Confident	74.9	Confident	0 Å²	0	67.1 Å²	67.1	0%	0	35%	0.345	C	S	.	.	H	α-helix	trans	-63.7	-33.8	-177.5	-68.3	169.3	0	0	0	112.4	A44 G52 Y53 M54 T68 A71 L72 M75 M95	A44-L48 VanDerWaalsContact O-CB 3.29Å; A44-L48 WeakPolarHBondContact O-CB 3.34Å; A44-L48 WeakPolarHBondContact O-CD1 3.38Å; A44-L48 WeakPolarHBondContact O-CG 3.47Å; A44-L48 PolarHBondContact O-N 3.29Å; L48-G52 PolarHBondContact O-N 3.42Å; L48-Y53 HydrophobicContact CD2-CD2 4.02Å; L48-Y53 HydrophobicContact CD2-CG 4Å; L48-Y53 WeakPolarHBondContact O-CA 3.36Å; L48-Y53 WeakPolarHBondContact O-CB 3.39Å; L48-Y53 PolarHBondContact O-N 3.41Å; L48-M54 HydrophobicContact CB-CB 4.13Å; L48-M54 HydrophobicContact CB-CE 4.42Å; L48-M54 PolarHBondContact O-N 3.08Å; L48-T68 HydrophobicContact CD1-CG2 4.03Å; L48-A71 HydrophobicContact CB-CB 4.5Å; L48-A71 HydrophobicContact CD1-CB 3.97Å; L48-A71 HydrophobicContact CD2-CB 4.11Å; L48-A71 HydrophobicContact CG-CB 4.42Å; L48-L72 HydrophobicContact CD1-CD2 3.98Å; L48-L72 HydrophobicContact CD1-CG 4.01Å; L48-L72 HydrophobicContact CD2-CD2 4.45Å; L48-M75 HydrophobicContact CD2-CB 3.77Å; L48-M75 HydrophobicContact CD2-CG 4.18Å; L48-M95 HydrophobicContact CD2-CE 4.27Å; L48-M95 HydrophobicContact CG-CE 4.27Å
49	K	81.8	Confident	73.8	Confident	90 Å²	90	70.8 Å²	70.8	39%	0.391	35%	0.352	S	S	.	.	H	α-helix	trans	-69.9	-49.7	173.1	-72	170	-170.9	168.2	0	111.1	E45 S46 Y47 F51 G52 M54	E45-K49 WeakPolarHBondContact O-CB 3.33Å; E45-K49 VanDerWaalsContact O-CG 3.25Å; E45-K49 WeakPolarHBondContact O-CG 3.31Å; E45-K49 PolarHBondContact O-N 2.95Å; E45-K49 VanDerWaalsContact O-N 3.08Å; E45-K49 IonicContact OE2-NZ 3.83Å; S46-K49 PolarHBondContact O-N 3.28Å; Y47-K49 VanDerWaalsContact C-N 3.29Å; Y47-K49 PolarHBondContact O-N 3.11Å; K49-F51 VanDerWaalsContact C-N 3.33Å; K49-F51 PolarHBondContact O-N 2.85Å; K49-G52 PolarHBondContact O-N 3.28Å; K49-M54 HydrophobicContact CD-CE 4.13Å; K49-M54 VanDerWaalsContact CE-CE 3.47Å; K49-M54 HydrophobicContact CG-CB 4.41Å; K49-M54 HydrophobicContact CG-CE 3.63Å
50	R	81	Confident	71.6	Confident	86 Å²	86	73.1 Å²	73.1	33%	0.325	37%	0.371	S	S	.	.	H	α-helix	trans	-57.9	-45.6	-175.9	-174.3	169.9	-169.9	148.9	12.6	111.5	S46 Y47 G52 P181 L188	S46-R50 VanDerWaalsContact O-CB 3.25Å; S46-R50 WeakPolarHBondContact O-CB 3.37Å; S46-R50 PolarHBondContact O-N 3.23Å; Y47-R50 PolarHBondContact O-N 2.66Å; R50-G52 VanDerWaalsContact C-N 3.33Å; R50-G52 PolarHBondContact O-N 2.83Å; R50-P181 PolarHBondContact NH1-O 3.36Å; R50-P181 PolarHBondContact NH2-O 2.86Å; R50-L188 VanDerWaalsContact NH1-CD1 3.32Å
51	F	83.4	Confident	69.7	Low	6 Å²	6	72 Å²	72	3%	0.026	38%	0.377	C	S	.	.	T	Hydrogen-bonded Turn	trans	-92.8	15.4	-177.1	-56.3	-69.6	0	0	0	114.5	Y47 K49 Y53 R99 D104 V105 L188	Y47-F51 AromaticContact CD1-CD2 3.56Å; Y47-F51 HydrophobicContact CD1-CD2 3.56Å; Y47-F51 HydrophobicContact CD1-CE2 4.05Å; Y47-F51 AromaticContact CD2-CD2 3.96Å; Y47-F51 HydrophobicContact CD2-CD2 3.96Å; Y47-F51 AromaticContact CD2-CE2 3.55Å; Y47-F51 HydrophobicContact CD2-CE2 3.55Å; Y47-F51 AromaticContact CE1-CD2 3.45Å; Y47-F51 HydrophobicContact CE1-CD2 3.45Å; Y47-F51 VanDerWaalsContact CE1-CD2 3.45Å; Y47-F51 AromaticContact CE1-CE2 3.91Å; Y47-F51 HydrophobicContact CE1-CE2 3.91Å; Y47-F51 HydrophobicContact CE1-CG 4.37Å; Y47-F51 AromaticContact CE2-CD2 3.88Å; Y47-F51 HydrophobicContact CE2-CD2 3.88Å; Y47-F51 AromaticContact CE2-CE2 3.41Å; Y47-F51 HydrophobicContact CE2-CE2 3.41Å; Y47-F51 VanDerWaalsContact CE2-CE2 3.41Å; Y47-F51 HydrophobicContact CE2-CZ 4.35Å; Y47-F51 AromaticContact CG-CD2 3.79Å; Y47-F51 HydrophobicContact CG-CD2 3.79Å; Y47-F51 AromaticContact CG-CE2 3.85Å; Y47-F51 HydrophobicContact CG-CE2 3.85Å; Y47-F51 AromaticContact CZ-CD2 3.6Å; Y47-F51 AromaticContact CZ-CE2 3.58Å; Y47-F51 WeakPolarHBondContact O-CD2 3.31Å; Y47-F51 PolarHBondContact O-N 3.09Å; K49-F51 VanDerWaalsContact C-N 3.33Å; K49-F51 PolarHBondContact O-N 2.85Å; F51-Y53 HydrophobicContact CB-CD2 3.93Å; F51-Y53 HydrophobicContact CB-CE2 3.72Å; F51-Y53 PolarHBondContact O-N 2.81Å; F51-R99 VanDerWaalsContact CE1-NE 3.26Å; F51-R99 VanDerWaalsContact CZ-CD 3.43Å; F51-R99 HydrophobicContact CZ-CG 4.28Å; F51-R99 VanDerWaalsContact CZ-NE 3.33Å; F51-D104 PolarHBondContact O-N 3Å; F51-V105 PolarHBondContact O-N 3.32Å; F51-L188 HydrophobicContact CE1-CD2 4.24Å; F51-L188 HydrophobicContact CZ-CD2 3.77Å
52	G	74.9	Confident	67.3	Low	8 Å²	8	77.3 Å²	77.3	8%	0.082	39%	0.393	C	S	.	.	T	Hydrogen-bonded Turn	trans	80.6	9.2	169.1	0	0	0	0	0	116.2	L48 K49 R50 M54 V105	L48-G52 PolarHBondContact O-N 3.42Å; K49-G52 PolarHBondContact O-N 3.28Å; R50-G52 VanDerWaalsContact C-N 3.33Å; R50-G52 PolarHBondContact O-N 2.83Å; G52-M54 VanDerWaalsContact C-N 3.34Å; G52-V105 WeakPolarHBondContact O-CB 3.12Å; G52-V105 WeakPolarHBondContact O-CG1 3.34Å
53	Y	78.1	Confident	65.2	Low	9 Å²	9	79.6 Å²	79.6	4%	0.035	40%	0.404	C	S	.	.	S	Bend	trans	-75.5	-22.5	177.4	-62.8	-73.8	0	0	0	113.7	Y47 L48 F51 A71 R74 M75 Q78 D104 V105	Y47-Y53 HydrophobicContact CE1-CE2 4.5Å; L48-Y53 HydrophobicContact CD2-CD2 4.02Å; L48-Y53 HydrophobicContact CD2-CG 4Å; L48-Y53 WeakPolarHBondContact O-CA 3.36Å; L48-Y53 WeakPolarHBondContact O-CB 3.39Å; L48-Y53 PolarHBondContact O-N 3.41Å; F51-Y53 HydrophobicContact CB-CD2 3.93Å; F51-Y53 HydrophobicContact CB-CE2 3.72Å; F51-Y53 PolarHBondContact O-N 2.81Å; Y53-A71 WeakPolarHBondContact O-CB 3.47Å; Y53-R74 HydrophobicContact CD1-CB 3.77Å; Y53-R74 HydrophobicContact CE1-CB 4.21Å; Y53-R74 PolarHBondContact O-NH1 3.22Å; Y53-R74 VanDerWaalsContact O-NH1 3.15Å; Y53-M75 HydrophobicContact CD1-CB 3.94Å; Y53-M75 HydrophobicContact CD2-CB 3.95Å; Y53-M75 HydrophobicContact CD2-CG 4.23Å; Y53-M75 HydrophobicContact CE1-CB 3.83Å; Y53-M75 HydrophobicContact CE2-CB 3.84Å; Y53-M75 HydrophobicContact CE2-CG 3.84Å; Y53-M75 HydrophobicContact CG-CB 3.97Å; Y53-Q78 HydrophobicContact CE1-CB 4.35Å; Y53-Q78 WeakPolarHBondContact OH-CB 3.45Å; Y53-Q78 VanDerWaalsContact OH-CG 3.28Å; Y53-Q78 WeakPolarHBondContact OH-CG 3.35Å; Y53-D104 HydrophobicContact CE1-CB 4.32Å; Y53-D104 HydrophobicContact CE2-CB 3.93Å; Y53-D104 WeakPolarHBondContact CE2-OD2 3.19Å; Y53-D104 VanDerWaalsContact CZ-OD2 3.23Å; Y53-D104 WeakPolarHBondContact OH-CB 3.31Å; Y53-D104 PolarHBondContact OH-OD2 2.81Å; Y53-V105 HydrophobicContact CD1-CG2 3.64Å; Y53-V105 HydrophobicContact CE1-CG2 3.68Å; Y53-V105 HydrophobicContact CG-CG2 4.31Å
54	M	76	Confident	63.2	Low	23 Å²	23	80.1 Å²	80.1	11%	0.113	41%	0.412	C	S	.	.	S	Bend	trans	-134.4	136.3	-177.9	-168.6	164.2	62.4	0	0	111.8	E45 L48 K49 G52 A71	E45-M54 HydrophobicContact CB-CE 4.29Å; E45-M54 HydrophobicContact CG-CE 4.33Å; L48-M54 HydrophobicContact CB-CB 4.13Å; L48-M54 HydrophobicContact CB-CE 4.42Å; L48-M54 PolarHBondContact O-N 3.08Å; K49-M54 HydrophobicContact CD-CE 4.13Å; K49-M54 VanDerWaalsContact CE-CE 3.47Å; K49-M54 HydrophobicContact CG-CB 4.41Å; K49-M54 HydrophobicContact CG-CE 3.63Å; G52-M54 VanDerWaalsContact C-N 3.34Å; M54-A71 HydrophobicContact CB-CB 4.25Å
55	E	62.9	Low	60.7	Low	131 Å²	131	87.2 Å²	87.2	61%	0.612	45%	0.446	S	S	*	.			trans	-74.1	147.6	176.8	-67	-179.3	167.3	0	0	111.7	E57	E55-E57 VanDerWaalsContact C-N 3.34Å; E55-E57 PolarHBondContact O-N 2.96Å
56	T	51.9	Low	58.7	Low	125 Å²	125	89.1 Å²	89.1	77%	0.767	46%	0.462	S	S	*	.			trans	-80.4	-0.3	-175.7	33.4	0	0	0	0	115.3	Q58	T56-Q58 PolarHBondContact O-N 2.95Å
57	E	44.4	Very low	57.5	Low	144 Å²	144	88.6 Å²	88.6	67%	0.673	46%	0.458	S	S	*	.			trans	-73	124.5	-179.6	-71.9	-162.9	164.7	0	0	112.7	E55 R59	E55-E57 VanDerWaalsContact C-N 3.34Å; E55-E57 PolarHBondContact O-N 2.96Å; E57-R59 PolarHBondContact O-N 3.05Å; E57-R59 VanDerWaalsContact O-N 3.1Å
58	Q	38.9	Very low	56.7	Low	200 Å²	200	89.3 Å²	89.3	94%	0.935	46%	0.464	S	S	*	.			trans	-53.2	111.1	174	-84.4	168.9	-34.2	0	0	111.4	T56	T56-Q58 PolarHBondContact O-N 2.95Å
59	R	39.7	Very low	56.1	Low	139 Å²	139	91.1 Å²	91.1	53%	0.525	48%	0.479	S	S	.	.			trans	-120	112.4	167.4	-65.6	-173.6	-177.7	172.8	6.7	109.6	E57	E57-R59 PolarHBondContact O-N 3.05Å; E57-R59 VanDerWaalsContact O-N 3.1Å
60	S	32.6	Very low	55.8	Low	122 Å²	122	91.3 Å²	91.3	85%	0.853	48%	0.48	S	S	*	.			trans	-81.4	135.7	175.4	-64.2	0	0	0	0	111.9
61	G	43.6	Very low	55.8	Low	50 Å²	50	87.4 Å²	87.4	52%	0.515	47%	0.466	S	S	.	.	S	Bend	trans	104.3	-171.4	165.8	0	0	0	0	0	116.4	Q63 S64	G61-Q63 PolarHBondContact O-N 2.66Å; G61-S64 PolarHBondContact O-N 3.11Å; G61-S64 PolarHBondContact O-OG 2.94Å
62	F	31.1	Very low	56	Low	196 Å²	196	87.4 Å²	87.4	86%	0.86	47%	0.466	S	S	*	.	T	Hydrogen-bonded Turn	trans	-51.9	-9.8	-173.6	-153.2	-96.8	0	0	0	115.5
63	Q	37.8	Very low	56.4	Low	149 Å²	149	91.4 Å²	91.4	70%	0.696	48%	0.481	S	S	*	.	T	Hydrogen-bonded Turn	trans	-78.5	-19.3	172.4	-102.5	165.2	-34	0	0	114.5	G61	G61-Q63 PolarHBondContact O-N 2.66Å
64	S	40.8	Very low	56.7	Low	56 Å²	56	95.6 Å²	95.6	39%	0.392	50%	0.497	S	S	.	.	H	α-helix	trans	-69.2	-40.2	178.7	68.4	0	0	0	0	112.2	G61 V66 S67 T68	G61-S64 PolarHBondContact O-N 3.11Å; G61-S64 PolarHBondContact O-OG 2.94Å; S64-V66 VanDerWaalsContact C-N 3.26Å; S64-V66 PolarHBondContact O-N 3.39Å; S64-S67 WeakPolarHBondContact O-CB 3.48Å; S64-S67 PolarHBondContact O-N 2.74Å; S64-T68 PolarHBondContact O-N 2.87Å; S64-T68 VanDerWaalsContact O-N 3.13Å; S64-T68 PolarHBondContact O-OG1 2.85Å
65	M	34.4	Very low	57.4	Low	151 Å²	151	94.5 Å²	94.5	74%	0.744	49%	0.492	S	S	*	.	H	α-helix	trans	-65.5	-29.6	-176.6	-159.8	175.9	166.7	0	0	112.6
66	V	40.5	Very low	58.6	Low	108 Å²	108	88.3 Å²	88.3	66%	0.655	46%	0.463	S	S	*	.	H	α-helix	trans	-75.5	-29.1	174.9	-176.6	0	0	0	0	111.7	S64	S64-V66 VanDerWaalsContact C-N 3.26Å; S64-V66 PolarHBondContact O-N 3.39Å
67	S	59.6	Low	60.1	Low	53 Å²	53	89.3 Å²	89.3	37%	0.371	45%	0.452	S	S	.	.	H	α-helix	trans	-72.5	-41.3	175.8	-172.8	0	0	0	0	111.9	S64 K70 A71	S64-S67 WeakPolarHBondContact O-CB 3.48Å; S64-S67 PolarHBondContact O-N 2.74Å; S67-K70 PolarHBondContact O-N 2.01Å; S67-A71 WeakPolarHBondContact O-CB 3.28Å; S67-A71 PolarHBondContact O-N 2.86Å; S67-A71 VanDerWaalsContact O-N 3.09Å
68	T	69.2	Low	61.8	Low	30 Å²	30	84 Å²	84	18%	0.184	43%	0.428	C	S	.	.	H	α-helix	trans	-66.7	-43.5	-177.8	-47.7	0	0	0	0	112	L48 S64 K70 A71 L72	L48-T68 HydrophobicContact CD1-CG2 4.03Å; S64-T68 PolarHBondContact O-N 2.87Å; S64-T68 VanDerWaalsContact O-N 3.13Å; S64-T68 PolarHBondContact O-OG1 2.85Å; T68-K70 VanDerWaalsContact C-N 3.3Å; T68-K70 PolarHBondContact O-N 2Å; T68-A71 PolarHBondContact O-N 3.43Å; T68-L72 HydrophobicContact CG2-CD1 4.07Å; T68-L72 HydrophobicContact CG2-CG 4.32Å; T68-L72 WeakPolarHBondContact O-CB 3.43Å; T68-L72 VanDerWaalsContact O-CG 3.28Å; T68-L72 WeakPolarHBondContact O-CG 3.24Å; T68-L72 PolarHBondContact O-N 3.27Å
69	A	75.4	Confident	63.9	Low	37 Å²	37	74.8 Å²	74.8	31%	0.306	39%	0.385	S	S	.	.	H	α-helix	trans	-61.8	-37	-179.9	0	0	0	0	0	112.9	K73 G85	A69-K73 WeakPolarHBondContact O-CG 3.28Å; A69-K73 PolarHBondContact O-N 2.71Å; A69-G85 WeakPolarHBondContact CA-O 3.32Å; A69-G85 WeakPolarHBondContact CB-O 3.47Å; A69-G85 WeakPolarHBondContact O-CA 3.45Å
70	K	74.6	Confident	65.9	Low	95 Å²	95	70.2 Å²	70.2	41%	0.413	38%	0.381	S	S	.	.	H	α-helix	trans	-71.4	-43.1	176.1	-174	-175.8	177.7	-166.5	0	111.9	S67 T68 L72 K73 R74 E609	S67-K70 PolarHBondContact O-N 2.01Å; T68-K70 VanDerWaalsContact C-N 3.3Å; T68-K70 PolarHBondContact O-N 2Å; K70-L72 VanDerWaalsContact C-N 3.28Å; K70-L72 PolarHBondContact O-N 3.05Å; K70-K73 PolarHBondContact O-N 3.47Å; K70-R74 WeakPolarHBondContact O-CG 3.33Å; K70-R74 PolarHBondContact O-N 3.1Å; K70-R74 VanDerWaalsContact O-N 3.09Å; K70-E609 WeakPolarHBondContact CD-OE1 3.41Å; K70-E609 WeakPolarHBondContact CE-OE1 3.44Å; K70-E609 IonicContact NZ-OE1 3.03Å; K70-E609 PolarHBondContact NZ-OE1 3.33Å; K70-E609 IonicContact NZ-OE2 2.74Å; K70-E609 PolarHBondContact NZ-OE2 3.01Å
71	A	81.9	Confident	68.5	Low	3 Å²	3	66.5 Å²	66.5	3%	0.025	35%	0.351	C	S	.	.	H	α-helix	trans	-59.9	-41.9	174.4	0	0	0	0	0	111	L48 Y53 M54 S67 T68 R74 M75	L48-A71 HydrophobicContact CB-CB 4.5Å; L48-A71 HydrophobicContact CD1-CB 3.97Å; L48-A71 HydrophobicContact CD2-CB 4.11Å; L48-A71 HydrophobicContact CG-CB 4.42Å; Y53-A71 WeakPolarHBondContact O-CB 3.47Å; M54-A71 HydrophobicContact CB-CB 4.25Å; S67-A71 WeakPolarHBondContact O-CB 3.28Å; S67-A71 PolarHBondContact O-N 2.86Å; S67-A71 VanDerWaalsContact O-N 3.09Å; T68-A71 PolarHBondContact O-N 3.43Å; A71-R74 PolarHBondContact O-N 3.04Å; A71-M75 WeakPolarHBondContact O-CB 3.38Å; A71-M75 PolarHBondContact O-N 3.24Å
72	L	86.8	Confident	70.6	Confident	7 Å²	7	71.8 Å²	71.8	4%	0.037	36%	0.362	C	S	.	.	H	α-helix	trans	-60.1	-46.2	173.7	-75.5	170.4	0	0	0	112.1	L48 T68 K70 R74 M75 Q76 G85 L87 T91 M95	L48-L72 HydrophobicContact CD1-CD2 3.98Å; L48-L72 HydrophobicContact CD1-CG 4.01Å; L48-L72 HydrophobicContact CD2-CD2 4.45Å; T68-L72 HydrophobicContact CG2-CD1 4.07Å; T68-L72 HydrophobicContact CG2-CG 4.32Å; T68-L72 WeakPolarHBondContact O-CB 3.43Å; T68-L72 VanDerWaalsContact O-CG 3.28Å; T68-L72 WeakPolarHBondContact O-CG 3.24Å; T68-L72 PolarHBondContact O-N 3.27Å; K70-L72 VanDerWaalsContact C-N 3.28Å; K70-L72 PolarHBondContact O-N 3.05Å; L72-R74 VanDerWaalsContact C-N 3.32Å; L72-R74 PolarHBondContact O-N 3.11Å; L72-M75 PolarHBondContact O-N 2.57Å; L72-Q76 WeakPolarHBondContact O-CB 3.42Å; L72-Q76 WeakPolarHBondContact O-CG 3.02Å; L72-Q76 PolarHBondContact O-N 3.08Å; L72-G85 WeakPolarHBondContact CD1-O 3.33Å; L72-L87 HydrophobicContact CD2-CD1 4.27Å; L72-T91 HydrophobicContact CD2-CG2 4.02Å; L72-M95 HydrophobicContact CD2-CE 3.58Å
73	K	84.5	Confident	73.4	Confident	91 Å²	91	66.3 Å²	66.3	40%	0.396	34%	0.339	S	S	.	.	H	α-helix	trans	-60.3	-40.6	176.5	-72.6	-175.3	-179.1	-173.3	0	113.1	A69 K70 Q76 R77 E83 G85	A69-K73 WeakPolarHBondContact O-CG 3.28Å; A69-K73 PolarHBondContact O-N 2.71Å; K70-K73 PolarHBondContact O-N 3.47Å; K73-Q76 PolarHBondContact O-N 3.18Å; K73-R77 WeakPolarHBondContact O-CB 3.37Å; K73-R77 PolarHBondContact O-N 3.36Å; K73-E83 HydrophobicContact CB-CB 4.42Å; K73-E83 WeakPolarHBondContact CE-O 3.16Å; K73-E83 HydrophobicContact CG-CB 4.29Å; K73-G85 VanDerWaalsContact CG-CA 3.43Å
74	R	84.4	Confident	76	Confident	98 Å²	98	61.3 Å²	61.3	37%	0.37	32%	0.319	S	S	.	.	H	α-helix	trans	-63.4	-45.2	176.8	-68.2	174.7	67.3	-152.5	2.5	111.2	Y53 K70 A71 L72 R77 Q78 V105	Y53-R74 HydrophobicContact CD1-CB 3.77Å; Y53-R74 HydrophobicContact CE1-CB 4.21Å; Y53-R74 PolarHBondContact O-NH1 3.22Å; Y53-R74 VanDerWaalsContact O-NH1 3.15Å; K70-R74 WeakPolarHBondContact O-CG 3.33Å; K70-R74 PolarHBondContact O-N 3.1Å; K70-R74 VanDerWaalsContact O-N 3.09Å; A71-R74 PolarHBondContact O-N 3.04Å; L72-R74 VanDerWaalsContact C-N 3.32Å; L72-R74 PolarHBondContact O-N 3.11Å; R74-R77 PolarHBondContact O-N 2.9Å; R74-Q78 PolarHBondContact O-N 2.88Å; R74-V105 VanDerWaalsContact NH2-CG2 3.29Å
75	M	89.3	Confident	78.1	Confident	0 Å²	0	59 Å²	59	0%	0	30%	0.304	C	S	.	.	H	α-helix	trans	-64.1	-46.9	176.1	177.7	-81.1	-159.7	0	0	111.3	Y47 L48 Y53 A71 L72 R77 Q78 M79 T91 M95	Y47-M75 HydrophobicContact CD1-CE 4.28Å; Y47-M75 HydrophobicContact CE1-CE 3.71Å; Y47-M75 HydrophobicContact CE1-CG 4Å; L48-M75 HydrophobicContact CD2-CB 3.77Å; L48-M75 HydrophobicContact CD2-CG 4.18Å; Y53-M75 HydrophobicContact CD1-CB 3.94Å; Y53-M75 HydrophobicContact CD2-CB 3.95Å; Y53-M75 HydrophobicContact CD2-CG 4.23Å; Y53-M75 HydrophobicContact CE1-CB 3.83Å; Y53-M75 HydrophobicContact CE2-CB 3.84Å; Y53-M75 HydrophobicContact CE2-CG 3.84Å; Y53-M75 HydrophobicContact CG-CB 3.97Å; A71-M75 WeakPolarHBondContact O-CB 3.38Å; A71-M75 PolarHBondContact O-N 3.24Å; L72-M75 PolarHBondContact O-N 2.57Å; M75-R77 VanDerWaalsContact C-N 3.3Å; M75-R77 PolarHBondContact O-N 3.21Å; M75-Q78 WeakPolarHBondContact O-CB 3.4Å; M75-Q78 PolarHBondContact O-N 2.85Å; M75-Q78 VanDerWaalsContact O-N 3.1Å; M75-M79 HydrophobicContact CE-CG 4.13Å; M75-M79 HydrophobicContact CG-CG 4.36Å; M75-M79 WeakPolarHBondContact O-CB 3.44Å; M75-M79 WeakPolarHBondContact O-CG 3.46Å; M75-M79 PolarHBondContact O-N 2.87Å; M75-M79 HydrophobicContact SD-CG 3.87Å; M75-T91 HydrophobicContact CE-CG2 4.4Å; M75-T91 HydrophobicContact SD-CG2 4.32Å; M75-M95 HydrophobicContact CE-CB 4.41Å; M75-M95 HydrophobicContact CE-CE 3.6Å; M75-M95 HydrophobicContact CE-CG 3.23Å; M75-M95 HydrophobicContact CE-SD 4.26Å; M75-M95 HydrophobicContact SD-CE 4.23Å
76	Q	89.3	Confident	80.7	Confident	0 Å²	0	58.3 Å²	58.3	0%	0	30%	0.299	C	S	.	.	H	α-helix	trans	-56.9	-44.8	176.8	-75.5	166.2	-23.3	0	0	111.2	L72 K73 M79 G80 L81 E82 T84 E86 T91	L72-Q76 WeakPolarHBondContact O-CB 3.42Å; L72-Q76 WeakPolarHBondContact O-CG 3.02Å; L72-Q76 PolarHBondContact O-N 3.08Å; K73-Q76 PolarHBondContact O-N 3.18Å; Q76-M79 CarbonylContact O-C 3.52Å; Q76-M79 PolarHBondContact O-N 2.87Å; Q76-G80 PolarHBondContact O-N 3.29Å; Q76-G80 VanDerWaalsContact O-N 3.11Å; Q76-L81 HydrophobicContact CB-CB 4Å; Q76-L81 HydrophobicContact CG-CB 4.24Å; Q76-L81 HydrophobicContact CG-CD1 4.36Å; Q76-L81 WeakPolarHBondContact O-CB 3.45Å; Q76-L81 PolarHBondContact O-N 2.99Å; Q76-E82 PolarHBondContact OE1-O 2.8Å; Q76-T84 PolarHBondContact NE2-OG1 3.04Å; Q76-E86 PolarHBondContact NE2-O 2.66Å; Q76-E86 VanDerWaalsContact NE2-O 3.16Å; Q76-T91 HydrophobicContact CG-CG2 4.34Å; Q76-T91 PolarHBondContact NE2-OG1 2.87Å
77	R	83.6	Confident	83	Confident	146 Å²	146	55.6 Å²	55.6	55%	0.551	28%	0.281	S	S	*	.	H	α-helix	trans	-59.1	-48.3	174	-175.6	-175.9	-63.2	167.5	5.8	112.1	K73 R74 M75 M79 G80 E83	K73-R77 WeakPolarHBondContact O-CB 3.37Å; K73-R77 PolarHBondContact O-N 3.36Å; R74-R77 PolarHBondContact O-N 2.9Å; M75-R77 VanDerWaalsContact C-N 3.3Å; M75-R77 PolarHBondContact O-N 3.21Å; R77-M79 PolarHBondContact O-N 2.75Å; R77-G80 PolarHBondContact O-N 2.81Å; R77-G80 VanDerWaalsContact O-N 3.14Å; R77-E83 HydrophobicContact CB-CG 4.13Å; R77-E83 IonicContact CZ-OE1 3.85Å; R77-E83 IonicContact CZ-OE2 3.41Å; R77-E83 IonicContact NE-OE1 3.92Å; R77-E83 PolarHBondContact NE-OE1 3.27Å; R77-E83 IonicContact NE-OE2 2.72Å; R77-E83 PolarHBondContact NE-OE2 2.59Å; R77-E83 IonicContact NH2-OE1 2.96Å; R77-E83 PolarHBondContact NH2-OE1 3.08Å; R77-E83 IonicContact NH2-OE2 2.6Å; R77-E83 PolarHBondContact NH2-OE2 3.38Å
78	Q	79.8	Confident	84.4	Confident	33 Å²	33	55 Å²	55	15%	0.154	27%	0.273	C	S	.	.	H	α-helix	trans	-58.6	-39	178.1	-172.6	68.8	22.3	0	0	111.3	Y53 R74 M75 G80 D104 S412 F420	Y53-Q78 HydrophobicContact CE1-CB 4.35Å; Y53-Q78 WeakPolarHBondContact OH-CB 3.45Å; Y53-Q78 VanDerWaalsContact OH-CG 3.28Å; Y53-Q78 WeakPolarHBondContact OH-CG 3.35Å; R74-Q78 PolarHBondContact O-N 2.88Å; M75-Q78 WeakPolarHBondContact O-CB 3.4Å; M75-Q78 PolarHBondContact O-N 2.85Å; M75-Q78 VanDerWaalsContact O-N 3.1Å; Q78-G80 VanDerWaalsContact C-N 3.26Å; Q78-G80 PolarHBondContact O-N 2.02Å; Q78-D104 HydrophobicContact CG-CB 4.11Å; Q78-S412 PolarHBondContact NE2-O 3.5Å; Q78-S412 VanDerWaalsContact NE2-O 3.07Å; Q78-F420 WeakPolarHBondContact O-CE2 3.42Å
79	M	83.4	Confident	85.4	Confident	7 Å²	7	62.3 Å²	62.3	3%	0.034	30%	0.302	C	S	.	.	T	Hydrogen-bonded Turn	trans	-82.7	1.5	-178	-60.5	-61.9	162.9	0	0	113.6	Y47 M75 Q76 R77 L81 D104 F420 P421 M422	Y47-M79 VanDerWaalsContact OH-CE 3.31Å; Y47-M79 WeakPolarHBondContact OH-CE 3.48Å; M75-M79 HydrophobicContact CE-CG 4.13Å; M75-M79 HydrophobicContact CG-CG 4.36Å; M75-M79 WeakPolarHBondContact O-CB 3.44Å; M75-M79 WeakPolarHBondContact O-CG 3.46Å; M75-M79 PolarHBondContact O-N 2.87Å; M75-M79 HydrophobicContact SD-CG 3.87Å; Q76-M79 CarbonylContact O-C 3.52Å; Q76-M79 PolarHBondContact O-N 2.87Å; R77-M79 PolarHBondContact O-N 2.75Å; M79-L81 VanDerWaalsContact C-N 3.28Å; M79-L81 HydrophobicContact CB-CD1 4.04Å; M79-L81 HydrophobicContact CB-CG 3.91Å; M79-L81 PolarHBondContact O-N 2.86Å; M79-D104 WeakPolarHBondContact CE-OD2 3.09Å; M79-F420 HydrophobicContact SD-CZ 4.47Å; M79-P421 HydrophobicContact CE-CG 3.98Å; M79-P421 HydrophobicContact SD-CG 4.13Å; M79-M422 HydrophobicContact CE-CE 3.71Å; M79-M422 HydrophobicContact CG-CE 4.5Å; M79-M422 HydrophobicContact SD-CE 3.38Å; M79-M422 WeakPolarHBondContact SD-CE 3.3Å; M79-M422 HydrophobicContact SD-CG 3.86Å; M79-M422 HydrophobicContact SD-SD 4.49Å
80	G	81.8	Confident	86.2	Confident	43 Å²	43	64.2 Å²	64.2	44%	0.443	31%	0.312	S	S	.	.	T	Hydrogen-bonded Turn	trans	64.4	29.9	-175.5	0	0	0	0	0	113.9	Q76 R77 Q78	Q76-G80 PolarHBondContact O-N 3.29Å; Q76-G80 VanDerWaalsContact O-N 3.11Å; R77-G80 PolarHBondContact O-N 2.81Å; R77-G80 VanDerWaalsContact O-N 3.14Å; Q78-G80 VanDerWaalsContact C-N 3.26Å; Q78-G80 PolarHBondContact O-N 2.02Å
81	L	85.6	Confident	86.9	Confident	44 Å²	44	59.7 Å²	59.7	23%	0.23	29%	0.292	C	S	.	.			trans	-95.5	164	175.8	-57.6	176.9	0	0	0	111.4	Q76 M79 E83 A94	Q76-L81 HydrophobicContact CB-CB 4Å; Q76-L81 HydrophobicContact CG-CB 4.24Å; Q76-L81 HydrophobicContact CG-CD1 4.36Å; Q76-L81 WeakPolarHBondContact O-CB 3.45Å; Q76-L81 PolarHBondContact O-N 2.99Å; M79-L81 VanDerWaalsContact C-N 3.28Å; M79-L81 HydrophobicContact CB-CD1 4.04Å; M79-L81 HydrophobicContact CB-CG 3.91Å; M79-L81 PolarHBondContact O-N 2.86Å; L81-E83 PolarHBondContact O-N 2.96Å; L81-A94 HydrophobicContact CD1-CB 3.77Å
82	E	87.9	Confident	87.3	Confident	161 Å²	161	60.5 Å²	60.5	75%	0.752	30%	0.296	S	S	*	.			trans	-64.1	129.9	170.2	-170.1	175.3	179.3	0	0	110.3	Q76 T84	Q76-E82 PolarHBondContact OE1-O 2.8Å; E82-T84 HydrophobicContact CB-CG2 4.22Å; E82-T84 HydrophobicContact CG-CG2 4.04Å; E82-T84 PolarHBondContact O-N 3.49Å
83	E	91.6	Very high	87.4	Confident	80 Å²	80	67.7 Å²	67.7	37%	0.374	33%	0.327	S	S	.	.			trans	-77.3	59.5	-175.8	-62.3	-176.5	-145.2	0	0	112.7	K73 R77 L81 G85	K73-E83 HydrophobicContact CB-CB 4.42Å; K73-E83 WeakPolarHBondContact CE-O 3.16Å; K73-E83 HydrophobicContact CG-CB 4.29Å; R77-E83 HydrophobicContact CB-CG 4.13Å; R77-E83 IonicContact CZ-OE1 3.85Å; R77-E83 IonicContact CZ-OE2 3.41Å; R77-E83 IonicContact NE-OE1 3.92Å; R77-E83 PolarHBondContact NE-OE1 3.27Å; R77-E83 IonicContact NE-OE2 2.72Å; R77-E83 PolarHBondContact NE-OE2 2.59Å; R77-E83 IonicContact NH2-OE1 2.96Å; R77-E83 PolarHBondContact NH2-OE1 3.08Å; R77-E83 IonicContact NH2-OE2 2.6Å; R77-E83 PolarHBondContact NH2-OE2 3.38Å; L81-E83 PolarHBondContact O-N 2.96Å; E83-G85 VanDerWaalsContact C-N 3.31Å; E83-G85 PolarHBondContact O-N 3.01Å
84	T	90.4	Very high	87.7	Confident	44 Å²	44	63.8 Å²	63.8	27%	0.27	31%	0.312	S	S	.	.			trans	-66.9	-34.1	-179.4	66.6	0	0	0	0	111.7	Q76 E82 E86 D88	Q76-T84 PolarHBondContact NE2-OG1 3.04Å; E82-T84 HydrophobicContact CB-CG2 4.22Å; E82-T84 HydrophobicContact CG-CG2 4.04Å; E82-T84 PolarHBondContact O-N 3.49Å; T84-E86 PolarHBondContact O-N 3.12Å; T84-E86 PolarHBondContact OG1-N 3.18Å; T84-E86 PolarHBondContact OG1-O 3.29Å; T84-D88 WeakPolarHBondContact CG2-OD2 3.37Å; T84-D88 PolarHBondContact OG1-OD2 3.15Å
85	G	85.8	Confident	87.9	Confident	7 Å²	7	59.6 Å²	59.6	7%	0.072	30%	0.296	C	S	.	.			trans	70.3	12.4	-169.8	0	0	0	0	0	113.7	A69 L72 K73 E83	A69-G85 WeakPolarHBondContact CA-O 3.32Å; A69-G85 WeakPolarHBondContact CB-O 3.47Å; A69-G85 WeakPolarHBondContact O-CA 3.45Å; L72-G85 WeakPolarHBondContact CD1-O 3.33Å; K73-G85 VanDerWaalsContact CG-CA 3.43Å; E83-G85 VanDerWaalsContact C-N 3.31Å; E83-G85 PolarHBondContact O-N 3.01Å
86	E	88.9	Confident	87.8	Confident	138 Å²	138	65.3 Å²	65.3	65%	0.645	32%	0.321	S	S	*	.	S	Bend	trans	-112.2	151.9	178.9	-61.9	-172.4	172.8	0	0	110.1	Q76 T84 D88	Q76-E86 PolarHBondContact NE2-O 2.66Å; Q76-E86 VanDerWaalsContact NE2-O 3.16Å; T84-E86 PolarHBondContact O-N 3.12Å; T84-E86 PolarHBondContact OG1-N 3.18Å; T84-E86 PolarHBondContact OG1-O 3.29Å; E86-D88 PolarHBondContact O-N 3.05Å
87	L	88.1	Confident	87.9	Confident	51 Å²	51	69.2 Å²	69.2	27%	0.267	34%	0.336	S	S	.	.			trans	-80.7	63.2	174.6	-167.6	61.8	0	0	0	110.1	D40 A44 L72 T91 L92 M95	D40-L87 HydrophobicContact CB-CD2 4.14Å; D40-L87 WeakPolarHBondContact O-CD2 3.36Å; A44-L87 HydrophobicContact CB-CD1 3.69Å; A44-L87 HydrophobicContact CB-CD2 3.89Å; A44-L87 HydrophobicContact CB-CG 4.44Å; L72-L87 HydrophobicContact CD2-CD1 4.27Å; L87-T91 HydrophobicContact CD1-CG2 4.2Å; L87-L92 HydrophobicContact CD1-CD2 3.56Å; L87-L92 HydrophobicContact CD1-CG 3.71Å; L87-L92 HydrophobicContact CD2-CD2 3.98Å; L87-L92 HydrophobicContact CD2-CG 4.41Å; L87-L92 HydrophobicContact CG-CD1 4.04Å; L87-L92 HydrophobicContact CG-CD2 3.72Å; L87-L92 HydrophobicContact CG-CG 3.7Å; L87-M95 HydrophobicContact CD1-CE 4.37Å; L87-M95 HydrophobicContact CD1-SD 3.95Å
88	D	89.7	Confident	88.4	Confident	39 Å²	39	63.6 Å²	63.6	21%	0.209	32%	0.318	C	S	.	.			trans	-77.1	168.4	179.8	58.8	33.2	0	0	0	112.2	T84 E86 P90 T91 L92	T84-D88 WeakPolarHBondContact CG2-OD2 3.37Å; T84-D88 PolarHBondContact OG1-OD2 3.15Å; E86-D88 PolarHBondContact O-N 3.05Å; D88-P90 WeakPolarHBondContact OD1-CD 3.27Å; D88-T91 PolarHBondContact O-N 2.82Å; D88-T91 VanDerWaalsContact O-N 3.15Å; D88-T91 WeakPolarHBondContact OD1-CB 3.39Å; D88-T91 PolarHBondContact OD1-N 2.78Å; D88-T91 PolarHBondContact OD1-OG1 3.49Å; D88-L92 PolarHBondContact O-N 2.85Å
89	K	89.7	Confident	89.1	Confident	184 Å²	184	62.1 Å²	62.1	80%	0.8	31%	0.311	S	S	*	.	H	α-helix	trans	-57	-43.6	-178.4	-66.1	-178.2	179.4	-179.2	0	112.9	K93	K89-K93 VanDerWaalsContact O-CB 3.28Å; K89-K93 WeakPolarHBondContact O-CB 3.31Å; K89-K93 PolarHBondContact O-N 2.99Å
90	P	92.4	Very high	89.6	Confident	77 Å²	77	62.1 Å²	62.1	50%	0.5	31%	0.312	S	S	.	.	H	α-helix	trans	-58.7	-43.6	174	-25.8	35.5	0	0	0	113.4	D88 K93 A94	D88-P90 WeakPolarHBondContact OD1-CD 3.27Å; P90-K93 PolarHBondContact O-N 3.42Å; P90-A94 WeakPolarHBondContact O-CB 3.4Å; P90-A94 PolarHBondContact O-N 3.19Å
91	T	91	Very high	90	Very high	0 Å²	0	60.2 Å²	60.2	0%	0	29%	0.293	C	S	.	.	H	α-helix	trans	-64	-46.8	179.1	-58.3	0	0	0	0	111.5	L72 M75 Q76 L87 D88 K93 A94 M95	L72-T91 HydrophobicContact CD2-CG2 4.02Å; M75-T91 HydrophobicContact CE-CG2 4.4Å; M75-T91 HydrophobicContact SD-CG2 4.32Å; Q76-T91 HydrophobicContact CG-CG2 4.34Å; Q76-T91 PolarHBondContact NE2-OG1 2.87Å; L87-T91 HydrophobicContact CD1-CG2 4.2Å; D88-T91 PolarHBondContact O-N 2.82Å; D88-T91 VanDerWaalsContact O-N 3.15Å; D88-T91 WeakPolarHBondContact OD1-CB 3.39Å; D88-T91 PolarHBondContact OD1-N 2.78Å; D88-T91 PolarHBondContact OD1-OG1 3.49Å; T91-K93 VanDerWaalsContact C-N 3.34Å; T91-K93 PolarHBondContact O-N 2.95Å; T91-A94 PolarHBondContact O-N 3.44Å; T91-M95 HydrophobicContact CG2-CE 4.04Å; T91-M95 HydrophobicContact CG2-SD 4.44Å; T91-M95 WeakPolarHBondContact O-CG 3.38Å; T91-M95 PolarHBondContact O-N 2.92Å
92	L	90	Very high	90	Very high	21 Å²	21	58.7 Å²	58.7	11%	0.11	29%	0.285	C	S	.	.	H	α-helix	trans	-63.2	-40.4	176.1	-79.7	169.8	0	0	0	112.6	D40 L87 D88 A94 M95 K96	D40-L92 HydrophobicContact CB-CD1 4.03Å; D40-L92 HydrophobicContact CB-CD2 3.72Å; L87-L92 HydrophobicContact CD1-CD2 3.56Å; L87-L92 HydrophobicContact CD1-CG 3.71Å; L87-L92 HydrophobicContact CD2-CD2 3.98Å; L87-L92 HydrophobicContact CD2-CG 4.41Å; L87-L92 HydrophobicContact CG-CD1 4.04Å; L87-L92 HydrophobicContact CG-CD2 3.72Å; L87-L92 HydrophobicContact CG-CG 3.7Å; D88-L92 PolarHBondContact O-N 2.85Å; L92-A94 VanDerWaalsContact C-N 3.29Å; L92-A94 PolarHBondContact O-N 2.99Å; L92-M95 PolarHBondContact O-N 2.98Å; L92-K96 WeakPolarHBondContact O-CG 3.46Å; L92-K96 PolarHBondContact O-N 3.35Å; L92-K96 VanDerWaalsContact O-N 3.13Å
93	K	88.6	Confident	89.6	Confident	157 Å²	157	52 Å²	52	68%	0.683	26%	0.255	S	S	*	.	H	α-helix	trans	-62.3	-40.6	175.6	-173.3	178.2	-179.8	-178	0	110.7	K89 P90 T91 K96 R97	K89-K93 VanDerWaalsContact O-CB 3.28Å; K89-K93 WeakPolarHBondContact O-CB 3.31Å; K89-K93 PolarHBondContact O-N 2.99Å; P90-K93 PolarHBondContact O-N 3.42Å; T91-K93 VanDerWaalsContact C-N 3.34Å; T91-K93 PolarHBondContact O-N 2.95Å; K93-K96 PolarHBondContact O-N 1.99Å; K93-R97 WeakPolarHBondContact O-CG 2.98Å; K93-R97 PolarHBondContact O-N 3.02Å
94	A	89.8	Confident	88.7	Confident	10 Å²	10	49.1 Å²	49.1	8%	0.083	24%	0.243	C	C	.	.	H	α-helix	trans	-66.4	-43.5	176.1	0	0	0	0	0	112.2	L81 P90 T91 L92 K96 R97 M422	L81-A94 HydrophobicContact CD1-CB 3.77Å; P90-A94 WeakPolarHBondContact O-CB 3.4Å; P90-A94 PolarHBondContact O-N 3.19Å; T91-A94 PolarHBondContact O-N 3.44Å; L92-A94 VanDerWaalsContact C-N 3.29Å; L92-A94 PolarHBondContact O-N 2.99Å; A94-K96 PolarHBondContact O-N 3.18Å; A94-R97 WeakPolarHBondContact O-CB 3.39Å; A94-R97 PolarHBondContact O-N 2.84Å; A94-R97 VanDerWaalsContact O-N 3.09Å; A94-M422 WeakPolarHBondContact O-CE 3.46Å
95	M	89.4	Confident	87.4	Confident	9 Å²	9	48.3 Å²	48.3	4%	0.044	24%	0.237	C	C	.	.	H	α-helix	trans	-61.4	-29.1	177.3	-73	178.6	170.2	0	0	113.9	A44 Y47 L48 L72 M75 L87 T91 L92	A44-M95 HydrophobicContact CB-CE 4.06Å; A44-M95 HydrophobicContact CB-SD 3.86Å; Y47-M95 HydrophobicContact CD1-CE 4.16Å; Y47-M95 HydrophobicContact CD1-CG 4.16Å; Y47-M95 HydrophobicContact CD2-CB 3.99Å; Y47-M95 HydrophobicContact CD2-CG 4.04Å; Y47-M95 HydrophobicContact CE1-CG 4.34Å; Y47-M95 HydrophobicContact CE2-CB 4.12Å; Y47-M95 HydrophobicContact CE2-CG 4.21Å; Y47-M95 WeakPolarHBondContact CE2-O 3Å; Y47-M95 HydrophobicContact CG-CB 4.44Å; Y47-M95 HydrophobicContact CG-CE 4.5Å; Y47-M95 HydrophobicContact CG-CG 4.04Å; Y47-M95 HydrophobicContact CG-SD 4.44Å; L48-M95 HydrophobicContact CD2-CE 4.27Å; L48-M95 HydrophobicContact CG-CE 4.27Å; L72-M95 HydrophobicContact CD2-CE 3.58Å; M75-M95 HydrophobicContact CE-CB 4.41Å; M75-M95 HydrophobicContact CE-CE 3.6Å; M75-M95 HydrophobicContact CE-CG 3.23Å; M75-M95 HydrophobicContact CE-SD 4.26Å; M75-M95 HydrophobicContact SD-CE 4.23Å; L87-M95 HydrophobicContact CD1-CE 4.37Å; L87-M95 HydrophobicContact CD1-SD 3.95Å; T91-M95 HydrophobicContact CG2-CE 4.04Å; T91-M95 HydrophobicContact CG2-SD 4.44Å; T91-M95 WeakPolarHBondContact O-CG 3.38Å; T91-M95 PolarHBondContact O-N 2.92Å; L92-M95 PolarHBondContact O-N 2.98Å
96	K	87.9	Confident	85.7	Confident	120 Å²	120	51.2 Å²	51.2	52%	0.522	26%	0.261	S	S	.	.	T	Hydrogen-bonded Turn	trans	-89.2	0.3	179	-66.6	176	-175.5	177.8	0	113	D40 L43 L92 K93 A94	D40-K96 IonicContact OD1-NZ 2.8Å; D40-K96 PolarHBondContact OD1-NZ 2.02Å; L43-K96 HydrophobicContact CD2-CD 4.3Å; L43-K96 VanDerWaalsContact CD2-CE 3.41Å; L43-K96 HydrophobicContact CD2-CG 3.81Å; L92-K96 WeakPolarHBondContact O-CG 3.46Å; L92-K96 PolarHBondContact O-N 3.35Å; L92-K96 VanDerWaalsContact O-N 3.13Å; K93-K96 PolarHBondContact O-N 1.99Å; A94-K96 PolarHBondContact O-N 3.18Å
97	R	90.7	Very high	83.4	Confident	82 Å²	82	48.4 Å²	48.4	31%	0.309	25%	0.25	S	S	.	.	S	Bend	trans	-79.8	143.9	176.3	-81.2	177.5	68	-173.7	-1.8	110.2	K93 A94 M422 Y423	K93-R97 WeakPolarHBondContact O-CG 2.98Å; K93-R97 PolarHBondContact O-N 3.02Å; A94-R97 WeakPolarHBondContact O-CB 3.39Å; A94-R97 PolarHBondContact O-N 2.84Å; A94-R97 VanDerWaalsContact O-N 3.09Å; R97-M422 HydrophobicContact CB-SD 3.6Å; R97-Y423 PolarHBondContact NH2-O 2.85Å
98	P	93.8	Very high	81	Confident	28 Å²	28	48.8 Å²	48.8	18%	0.182	25%	0.248	C	C	.	.			trans	-60	139.9	172.8	-18.6	29.9	0	0	0	111.8	D186 G187 L189 Y393 Y423	P98-D186 HydrophobicContact CG-CB 4.45Å; P98-G187 CarbonylContact C-O 3.55Å; P98-G187 VanDerWaalsContact CA-O 3.27Å; P98-G187 WeakPolarHBondContact CA-O 3.42Å; P98-L189 HydrophobicContact CB-CD1 4.22Å; P98-L189 HydrophobicContact CB-CD2 3.91Å; P98-L189 HydrophobicContact CB-CG 4.18Å; P98-Y393 HydrophobicContact CB-CE1 3.59Å; P98-Y393 WeakPolarHBondContact CB-OH 3.26Å; P98-Y393 HydrophobicContact CG-CE1 3.75Å; P98-Y393 WeakPolarHBondContact CG-OH 3.33Å; P98-Y423 PolarHBondContact O-N 2.96Å
99	R	94.6	Very high	78.3	Confident	3 Å²	3	56.4 Å²	56.4	1%	0.011	28%	0.28	C	S	.	.	B	Isolated β-bridge	trans	-155.6	168.9	-172.3	63.5	159.1	-68.4	166.6	12.3	113.1	Y47 F51 V102 D104 G187 L188 L189 H411 P421 M422	Y47-R99 VanDerWaalsContact OH-CD 3.29Å; Y47-R99 WeakPolarHBondContact OH-CD 3.09Å; Y47-R99 PolarHBondContact OH-NH1 2.95Å; F51-R99 VanDerWaalsContact CE1-NE 3.26Å; F51-R99 VanDerWaalsContact CZ-CD 3.43Å; F51-R99 HydrophobicContact CZ-CG 4.28Å; F51-R99 VanDerWaalsContact CZ-NE 3.33Å; R99-V102 PolarHBondContact NH2-O 2.85Å; R99-D104 IonicContact CZ-OD1 3.52Å; R99-D104 IonicContact CZ-OD2 3.5Å; R99-D104 IonicContact NH1-OD1 2.72Å; R99-D104 PolarHBondContact NH1-OD1 3.34Å; R99-D104 IonicContact NH1-OD2 2.75Å; R99-D104 PolarHBondContact NH1-OD2 3.35Å; R99-D104 IonicContact NH2-OD1 3.46Å; R99-D104 PolarHBondContact NH2-OD1 2.81Å; R99-D104 IonicContact NH2-OD2 3.43Å; R99-G187 PolarHBondContact N-O 2.8Å; R99-L188 HydrophobicContact CG-CD2 4.15Å; R99-L188 WeakPolarHBondContact O-CA 2.95Å; R99-L189 PolarHBondContact O-N 2.92Å; R99-H411 PolarHBondContact NH2-CE1 3.44Å; R99-P421 CarbonylContact C-O 3.56Å; R99-P421 WeakPolarHBondContact CA-O 3Å; R99-P421 WeakPolarHBondContact CB-O 3.17Å; R99-P421 VanDerWaalsContact NH2-CB 3.32Å; R99-M422 HydrophobicContact CB-CE 4.47Å; R99-M422 HydrophobicContact CB-SD 3.89Å
100	C	94.4	Very high	75.7	Confident	6 Å²	6	51.8 Å²	51.8	4%	0.041	27%	0.267	C	S	.	.			trans	-65.3	143	168	176.1	0	0	0	0	111.4	V102 H401 E402 H411 P421	C100-V102 VanDerWaalsContact C-N 3.31Å; C100-V102 VanDerWaalsContact SG-CG2 3.58Å; C100-V102 PolarHBondContact SG-N 3.17Å; C100-H401 WeakPolarHBondContact CB-NE2 3.28Å; C100-E402 PolarHBondContact SG-OE1 3.48Å; C100-H411 WeakPolarHBondContact CB-NE2 3.05Å; C100-P421 PolarHBondContact N-O 3.44Å
101	G	89.8	Confident	73.1	Confident	4 Å²	4	50.4 Å²	50.4	4%	0.041	25%	0.254	C	S	.	.	S	Bend	trans	-74.9	-12.9	178	0	0	0	0	0	114.9	P103 A190	G101-P103 WeakPolarHBondContact O-CD 3.28Å; G101-A190 WeakPolarHBondContact CA-O 2.96Å; G101-A190 PolarHBondContact N-O 3.33Å
102	V	85.6	Confident	70.3	Confident	11 Å²	11	58.6 Å²	58.6	7%	0.067	30%	0.297	C	S	.	.	S	Bend	trans	-69.1	131.3	178.5	180	0	0	0	0	110.8	R99 C100 Y108 H191 H411	R99-V102 PolarHBondContact NH2-O 2.85Å; C100-V102 VanDerWaalsContact C-N 3.31Å; C100-V102 VanDerWaalsContact SG-CG2 3.58Å; C100-V102 PolarHBondContact SG-N 3.17Å; V102-Y108 HydrophobicContact CG1-CE2 4.41Å; V102-H191 HydrophobicContact CG2-CB 4.04Å; V102-H411 PolarHBondContact O-CE1 2.99Å; V102-H411 PolarHBondContact O-ND1 2.9Å
103	P	78.6	Confident	68	Low	21 Å²	21	60.7 Å²	60.7	14%	0.136	32%	0.324	C	S	.	.			trans	-50.6	137.4	168.2	-32.5	32.6	0	0	0	115.3	G101 Y108	G101-P103 WeakPolarHBondContact O-CD 3.28Å; P103-Y108 HydrophobicContact CB-CD2 4.43Å; P103-Y108 HydrophobicContact CB-CE2 3.86Å; P103-Y108 VanDerWaalsContact CD-CZ 3.43Å; P103-Y108 WeakPolarHBondContact CD-OH 3.47Å; P103-Y108 HydrophobicContact CG-CD2 4.17Å; P103-Y108 HydrophobicContact CG-CE2 3.3Å
104	D	73.9	Confident	66	Low	20 Å²	20	60.3 Å²	60.3	11%	0.107	33%	0.329	C	S	.	.	S	Bend	trans	-79.5	-26.1	178.6	-58.2	-31.5	0	0	0	112.7	F51 Y53 Q78 M79 R99 H411	F51-D104 PolarHBondContact O-N 3Å; Y53-D104 HydrophobicContact CE1-CB 4.32Å; Y53-D104 HydrophobicContact CE2-CB 3.93Å; Y53-D104 WeakPolarHBondContact CE2-OD2 3.19Å; Y53-D104 VanDerWaalsContact CZ-OD2 3.23Å; Y53-D104 WeakPolarHBondContact OH-CB 3.31Å; Y53-D104 PolarHBondContact OH-OD2 2.81Å; Q78-D104 HydrophobicContact CG-CB 4.11Å; M79-D104 WeakPolarHBondContact CE-OD2 3.09Å; R99-D104 IonicContact CZ-OD1 3.52Å; R99-D104 IonicContact CZ-OD2 3.5Å; R99-D104 IonicContact NH1-OD1 2.72Å; R99-D104 PolarHBondContact NH1-OD1 3.34Å; R99-D104 IonicContact NH1-OD2 2.75Å; R99-D104 PolarHBondContact NH1-OD2 3.35Å; R99-D104 IonicContact NH2-OD1 3.46Å; R99-D104 PolarHBondContact NH2-OD1 2.81Å; R99-D104 IonicContact NH2-OD2 3.43Å; D104-H411 IonicContact OD1-CE1 3.52Å; D104-H411 IonicContact OD1-CG 2.9Å; D104-H411 IonicContact OD1-ND1 3.18Å; D104-H411 PolarHBondContact OD1-ND1 3.42Å
105	V	63.6	Low	64.9	Low	26 Å²	26	63.5 Å²	63.5	16%	0.158	34%	0.344	C	S	.	.	S	Bend	trans	-112.5	117.7	179.3	178.8	0	0	0	0	107.4	F51 G52 Y53 R74 N107	F51-V105 PolarHBondContact O-N 3.32Å; G52-V105 WeakPolarHBondContact O-CB 3.12Å; G52-V105 WeakPolarHBondContact O-CG1 3.34Å; Y53-V105 HydrophobicContact CD1-CG2 3.64Å; Y53-V105 HydrophobicContact CE1-CG2 3.68Å; Y53-V105 HydrophobicContact CG-CG2 4.31Å; R74-V105 VanDerWaalsContact NH2-CG2 3.29Å; V105-N107 VanDerWaalsContact C-N 3.3Å; V105-N107 PolarHBondContact O-N 2.83Å
106	A	49.2	Very low	64.5	Low	68 Å²	68	67.1 Å²	67.1	56%	0.562	36%	0.36	S	S	*	.			trans	-55.7	89.9	176.3	0	0	0	0	0	111.7
107	N	40.6	Very low	64.6	Low	79 Å²	79	62.1 Å²	62.1	42%	0.422	34%	0.338	S	S	.	.			trans	-127.9	22.3	168.2	-101.2	-11.9	0	0	0	110.3	V105 K109	V105-N107 VanDerWaalsContact C-N 3.3Å; V105-N107 PolarHBondContact O-N 2.83Å; N107-K109 PolarHBondContact O-N 3.43Å
108	Y	38.8	Very low	64.5	Low	59 Å²	59	65.8 Å²	65.8	23%	0.231	36%	0.363	C	S	.	.			trans	-70.5	86.7	159.6	-74.9	-82.5	0	0	0	108.7	V102 P103 T110 F111 Y180	V102-Y108 HydrophobicContact CG1-CE2 4.41Å; P103-Y108 HydrophobicContact CB-CD2 4.43Å; P103-Y108 HydrophobicContact CB-CE2 3.86Å; P103-Y108 VanDerWaalsContact CD-CZ 3.43Å; P103-Y108 WeakPolarHBondContact CD-OH 3.47Å; P103-Y108 HydrophobicContact CG-CD2 4.17Å; P103-Y108 HydrophobicContact CG-CE2 3.3Å; Y108-T110 WeakPolarHBondContact CD1-OG1 3.42Å; Y108-T110 PolarHBondContact O-N 3.04Å; Y108-F111 HydrophobicContact CD1-CD2 4.22Å; Y108-F111 AromaticContact CD1-CE2 3.41Å; Y108-F111 HydrophobicContact CD1-CE2 3.41Å; Y108-F111 VanDerWaalsContact CD1-CE2 3.41Å; Y108-F111 HydrophobicContact CD1-CZ 4.21Å; Y108-F111 AromaticContact CE1-CE2 3.98Å; Y108-F111 HydrophobicContact CE1-CE2 3.98Å; Y108-F111 HydrophobicContact CG-CD2 4.18Å; Y108-F111 AromaticContact CG-CE2 3.79Å; Y108-F111 HydrophobicContact CG-CE2 3.79Å; Y108-Y180 WeakPolarHBondContact CD1-OH 3.29Å; Y108-Y180 AromaticContact CE1-CE1 3.75Å; Y108-Y180 HydrophobicContact CE1-CE1 3.75Å; Y108-Y180 AromaticContact CE1-CE2 3.8Å; Y108-Y180 HydrophobicContact CE1-CE2 3.8Å; Y108-Y180 AromaticContact CE1-CZ 3.28Å; Y108-Y180 WeakPolarHBondContact CE1-OH 3.47Å
109	K	32.2	Very low	64.5	Low	199 Å²	199	67.2 Å²	67.2	87%	0.865	37%	0.367	S	S	*	.	T	Hydrogen-bonded Turn	trans	-68.3	17.1	165.9	-70.2	-177.5	176.4	174.2	0	112.6	N107	N107-K109 PolarHBondContact O-N 3.43Å
110	T	34.6	Very low	64.4	Low	88 Å²	88	70.8 Å²	70.8	54%	0.54	39%	0.39	S	S	.	.	T	Hydrogen-bonded Turn	trans	-107.1	-13.8	-168.4	32.3	0	0	0	0	114.7	Y108	Y108-T110 WeakPolarHBondContact CD1-OG1 3.42Å; Y108-T110 PolarHBondContact O-N 3.04Å
111	F	39.1	Very low	64.5	Low	48 Å²	48	74 Å²	74	21%	0.211	41%	0.407	C	S	.	.			trans	-123.3	105.3	-172.2	-49	-61.6	0	0	0	110.5	Y108 Y193 P194 Q200	Y108-F111 HydrophobicContact CD1-CD2 4.22Å; Y108-F111 AromaticContact CD1-CE2 3.41Å; Y108-F111 HydrophobicContact CD1-CE2 3.41Å; Y108-F111 VanDerWaalsContact CD1-CE2 3.41Å; Y108-F111 HydrophobicContact CD1-CZ 4.21Å; Y108-F111 AromaticContact CE1-CE2 3.98Å; Y108-F111 HydrophobicContact CE1-CE2 3.98Å; Y108-F111 HydrophobicContact CG-CD2 4.18Å; Y108-F111 AromaticContact CG-CE2 3.79Å; Y108-F111 HydrophobicContact CG-CE2 3.79Å; F111-Y193 HydrophobicContact CE1-CD1 4.06Å; F111-Y193 HydrophobicContact CE1-CE1 4.43Å; F111-Y193 HydrophobicContact CE2-CD1 4.27Å; F111-Y193 AromaticContact CZ-CD1 3.54Å; F111-Y193 HydrophobicContact CZ-CD1 3.54Å; F111-Y193 AromaticContact CZ-CE1 3.79Å; F111-Y193 HydrophobicContact CZ-CE1 3.79Å; F111-P194 HydrophobicContact CB-CG 4.46Å; F111-P194 HydrophobicContact CD2-CG 3.97Å; F111-P194 HydrophobicContact CE2-CG 4.5Å; F111-P194 HydrophobicContact CG-CG 4.2Å; F111-Q200 HydrophobicContact CD1-CG 4.01Å; F111-Q200 HydrophobicContact CE1-CG 4.33Å
112	D	32.3	Very low	64.9	Low	172 Å²	172	73.8 Å²	73.8	92%	0.92	41%	0.405	S	S	*	.			trans	-85	121.3	169.2	-80.8	-33.8	0	0	0	108.4
113	G	40.7	Very low	65.5	Low	64 Å²	64	74.5 Å²	74.5	66%	0.66	41%	0.409	S	S	*	.	S	Bend	trans	157.9	169.4	174.6	0	0	0	0	0	115.2
114	D	46.9	Very low	66.5	Low	150 Å²	150	74.3 Å²	74.3	80%	0.802	41%	0.405	S	S	*	.			trans	-71.3	120.7	161.5	-72.5	-36.7	0	0	0	106.8	K116	D114-K116 PolarHBondContact O-N 2.01Å
115	L	66.3	Low	67.6	Low	77 Å²	77	76.4 Å²	76.4	40%	0.403	41%	0.412	S	S	.	.	S	Bend	trans	-71.3	50.4	-178.9	-61	168.9	0	0	0	111.7	P194 G408	L115-P194 HydrophobicContact CD2-CB 3.64Å; L115-P194 HydrophobicContact CD2-CG 3.99Å; L115-G408 VanDerWaalsContact O-CA 3.23Å; L115-G408 WeakPolarHBondContact O-CA 3.31Å
116	K	80.4	Confident	69.2	Low	84 Å²	84	75.9 Å²	75.9	37%	0.365	41%	0.408	S	S	.	.	S	Bend	trans	-156	138.8	-174.2	-173.3	-160	161	-179.9	0	109.7	D114 L442 Y443	D114-K116 PolarHBondContact O-N 2.01Å; K116-L442 HydrophobicContact CB-CD2 4.46Å; K116-L442 HydrophobicContact CD-CB 4.31Å; K116-L442 VanDerWaalsContact CD-O 3.29Å; K116-L442 WeakPolarHBondContact CD-O 3.45Å; K116-L442 WeakPolarHBondContact CE-O 3.38Å; K116-L442 HydrophobicContact CG-CB 4.21Å; K116-L442 PolarHBondContact NZ-O 3.01Å; K116-Y443 HydrophobicContact CD-CD1 4.35Å; K116-Y443 HydrophobicContact CD-CE1 4.1Å; K116-Y443 VanDerWaalsContact CE-CE1 3.42Å; K116-Y443 HydrophobicContact CG-CD1 4.16Å; K116-Y443 HydrophobicContact CG-CE1 3.45Å; K116-Y443 VanDerWaalsContact CG-CE1 3.45Å; K116-Y443 HydrophobicContact CG-CE2 4.14Å; K116-Y443 VanDerWaalsContact CG-CZ 3.45Å; K116-Y443 WeakPolarHBondContact CG-OH 3.07Å
117	W	89.8	Confident	71.3	Confident	16 Å²	16	76.5 Å²	76.5	6%	0.061	40%	0.402	C	S	.	.			trans	-61.7	138.3	168.6	-61.9	110.6	0	0	0	112	H119 V122 D166 I167 P195 G196 A406 Y443	W117-H119 VanDerWaalsContact C-N 3.25Å; W117-H119 AromaticContact CE3-CE1 3.64Å; W117-V122 HydrophobicContact CB-CG2 4.31Å; W117-V122 HydrophobicContact CG-CG2 4.07Å; W117-D166 HydrophobicContact CH2-CB 3.88Å; W117-D166 WeakPolarHBondContact CH2-O 3.45Å; W117-D166 HydrophobicContact CZ2-CB 3.99Å; W117-D166 WeakPolarHBondContact CZ2-O 3.43Å; W117-D166 HydrophobicContact CZ3-CB 4.22Å; W117-I167 HydrophobicContact CZ2-CG1 4.43Å; W117-P195 HydrophobicContact CD2-CB 3.72Å; W117-P195 HydrophobicContact CD2-CG 4.43Å; W117-P195 HydrophobicContact CE3-CB 4.17Å; W117-P195 HydrophobicContact CG-CB 4.03Å; W117-P195 HydrophobicContact CG-CG 4.37Å; W117-P195 HydrophobicContact CH2-CB 4.48Å; W117-P195 HydrophobicContact CZ2-CB 4.05Å; W117-G196 VanDerWaalsContact CH2-O 3.3Å; W117-G196 WeakPolarHBondContact CH2-O 3.43Å; W117-G196 WeakPolarHBondContact CZ3-O 3.47Å; W117-A406 PolarHBondContact NE1-O 3.02Å; W117-Y443 HydrophobicContact CB-CE1 4.2Å; W117-Y443 PolarHBondContact N-OH 3.5Å; W117-Y443 VanDerWaalsContact N-OH 3.1Å
118	D	90.3	Very high	73.7	Confident	158 Å²	158	74.4 Å²	74.4	85%	0.845	39%	0.39	S	S	*	.	S	Bend	trans	-81.5	-6.9	177.7	67.9	-15.6	0	0	0	113.2
119	H	92.6	Very high	76.1	Confident	58 Å²	58	73.5 Å²	73.5	27%	0.269	39%	0.387	S	S	.	.	S	Bend	trans	-123.3	168.3	178.2	57.1	-86.1	0	0	0	111.1	W117 D121 D166	W117-H119 VanDerWaalsContact C-N 3.25Å; W117-H119 AromaticContact CE3-CE1 3.64Å; H119-D121 PolarHBondContact CD2-O 3.15Å; H119-D166 IonicContact CE1-OD1 2.77Å; H119-D166 IonicContact NE2-OD1 3.46Å; H119-D166 IonicContact NE2-OD2 3.3Å; H119-D166 PolarHBondContact NE2-OD2 2.92Å
120	T	93.6	Very high	78.9	Confident	78 Å²	78	64.1 Å²	64.1	48%	0.479	35%	0.346	S	S	.	.	S	Bend	trans	-109.9	-19.9	-176.7	45.8	0	0	0	0	114	V122 L155 T156	T120-V122 PolarHBondContact O-N 3.03Å; T120-L155 CarbonylContact O-C 3.55Å; T120-L155 VanDerWaalsContact O-CA 3.32Å; T120-L155 WeakPolarHBondContact O-CA 3.48Å; T120-T156 PolarHBondContact O-N 3.19Å
121	D	96.8	Very high	81.5	Confident	74 Å²	74	60.4 Å²	60.4	40%	0.396	32%	0.323	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-95.9	89.2	172.8	-175.6	34.7	0	0	0	109.3	H119 T156 T158	H119-D121 PolarHBondContact CD2-O 3.15Å; D121-T156 WeakPolarHBondContact CA-OG1 3.25Å; D121-T156 WeakPolarHBondContact CB-OG1 2.99Å; D121-T156 PolarHBondContact OD1-OG1 2.95Å; D121-T158 PolarHBondContact OD1-OG1 2.89Å
122	V	98	Very high	83.9	Confident	0 Å²	0	59.4 Å²	59.4	0%	0	32%	0.32	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-85.5	127.1	-176.9	-178.7	0	0	0	0	108.6	W117 T120 L155 T156 F157 T158 D166 I167	W117-V122 HydrophobicContact CB-CG2 4.31Å; W117-V122 HydrophobicContact CG-CG2 4.07Å; T120-V122 PolarHBondContact O-N 3.03Å; V122-L155 HydrophobicContact CG2-CD2 3.89Å; V122-T156 PolarHBondContact N-O 2.89Å; V122-F157 HydrophobicContact CB-CD1 3.93Å; V122-F157 HydrophobicContact CB-CE1 3.94Å; V122-F157 HydrophobicContact CG1-CD1 4.36Å; V122-F157 HydrophobicContact CG1-CE1 4.3Å; V122-F157 HydrophobicContact CG2-CE1 4.46Å; V122-F157 VanDerWaalsContact O-CA 3.25Å; V122-F157 WeakPolarHBondContact O-CA 3.46Å; V122-T158 PolarHBondContact O-N 3.16Å; V122-D166 HydrophobicContact CG1-CB 3.86Å; V122-I167 HydrophobicContact CG1-CD1 3.83Å; V122-I167 HydrophobicContact CG1-CG1 4.1Å
123	T	98.3	Very high	86.5	Confident	25 Å²	25	51.8 Å²	51.8	15%	0.153	28%	0.28	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-91.8	145.1	179.3	64.4	0	0	0	0	111.4	T158 L160 A165 D166 I167	T123-T158 CarbonylContact C-O 3.56Å; T123-T158 VanDerWaalsContact CA-O 3.22Å; T123-T158 WeakPolarHBondContact CA-O 3.4Å; T123-L160 HydrophobicContact CG2-CD1 4.12Å; T123-L160 HydrophobicContact CG2-CD2 4.46Å; T123-L160 HydrophobicContact CG2-CG 4.27Å; T123-A165 WeakPolarHBondContact OG1-CA 3.4Å; T123-D166 WeakPolarHBondContact CA-OD2 3.46Å; T123-D166 WeakPolarHBondContact CB-OD2 3.17Å; T123-D166 PolarHBondContact N-OD2 2.93Å; T123-D166 WeakPolarHBondContact O-CB 3.47Å; T123-D166 PolarHBondContact O-N 2.85Å; T123-D166 VanDerWaalsContact O-N 3.08Å; T123-D166 PolarHBondContact OG1-N 3.04Å; T123-D166 PolarHBondContact OG1-OD2 3.19Å; T123-I167 PolarHBondContact O-N 3.25Å
124	Y	98.6	Very high	88.8	Confident	17 Å²	17	49.4 Å²	49.4	7%	0.067	25%	0.251	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-134.1	152.4	173.8	75.5	-85.2	0	0	0	112.1	I126 F146 F157 T158 R159 L160 I167 I169	Y124-I126 HydrophobicContact CE2-CD1 4.39Å; Y124-I126 HydrophobicContact CE2-CG1 4.43Å; Y124-F146 AromaticContact CD1-CD2 3.89Å; Y124-F146 HydrophobicContact CD1-CD2 3.89Å; Y124-F146 AromaticContact CD1-CE2 3.56Å; Y124-F146 HydrophobicContact CD1-CE2 3.56Å; Y124-F146 HydrophobicContact CD1-CZ 4.14Å; Y124-F146 HydrophobicContact CD2-CD2 4.36Å; Y124-F146 AromaticContact CD2-CE2 3.56Å; Y124-F146 HydrophobicContact CD2-CE2 3.56Å; Y124-F146 HydrophobicContact CD2-CZ 4.33Å; Y124-F146 AromaticContact CE1-CD2 3.85Å; Y124-F146 HydrophobicContact CE1-CD2 3.85Å; Y124-F146 AromaticContact CE1-CE2 3.92Å; Y124-F146 HydrophobicContact CE1-CE2 3.92Å; Y124-F146 HydrophobicContact CE2-CD2 4.3Å; Y124-F146 AromaticContact CE2-CE2 3.9Å; Y124-F146 HydrophobicContact CE2-CE2 3.9Å; Y124-F146 HydrophobicContact CG-CD2 4.13Å; Y124-F146 AromaticContact CG-CE2 3.35Å; Y124-F146 HydrophobicContact CG-CE2 3.35Å; Y124-F146 AromaticContact CG-CZ 3.82Å; Y124-F146 HydrophobicContact CG-CZ 3.82Å; Y124-F157 HydrophobicContact CD1-CB 4.29Å; Y124-F157 HydrophobicContact CE1-CB 4.31Å; Y124-T158 PolarHBondContact N-O 2.95Å; Y124-R159 HydrophobicContact CD1-CB 4.39Å; Y124-R159 HydrophobicContact CD2-CG 4.34Å; Y124-R159 HydrophobicContact CE1-CB 3.75Å; Y124-R159 HydrophobicContact CE1-CG 4.43Å; Y124-R159 HydrophobicContact CE2-CB 4.03Å; Y124-R159 HydrophobicContact CE2-CG 3.81Å; Y124-R159 CarbonylContact O-C 3.53Å; Y124-R159 WeakPolarHBondContact O-CA 3.41Å; Y124-L160 PolarHBondContact O-N 3.15Å; Y124-I167 CarbonylContact C-O 3.43Å; Y124-I167 WeakPolarHBondContact CA-O 3.36Å; Y124-I169 HydrophobicContact CD2-CD1 3.77Å; Y124-I169 HydrophobicContact CG-CD1 4.47Å
125	R	97.9	Very high	90.8	Very high	65 Å²	65	44.1 Å²	44.1	25%	0.245	23%	0.227	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-139.4	133.2	176.6	177.4	171.8	174.6	-150.3	-8.4	110.8	L160 G163 A165 I167 M168 I169	R125-L160 WeakPolarHBondContact CG-O 3.07Å; R125-G163 VanDerWaalsContact CD-O 3.3Å; R125-G163 WeakPolarHBondContact CD-O 3.24Å; R125-G163 PolarHBondContact NH1-O 2.71Å; R125-A165 HydrophobicContact CB-CB 3.76Å; R125-I167 PolarHBondContact N-O 2.86Å; R125-M168 HydrophobicContact CB-CE 4.31Å; R125-M168 HydrophobicContact CB-SD 4Å; R125-M168 HydrophobicContact CG-CE 4.34Å; R125-I169 PolarHBondContact O-N 3.47Å
126	I	96.4	Very high	91.8	Very high	14 Å²	14	47.3 Å²	47.3	7%	0.072	24%	0.237	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-90	123.1	173.4	-57.5	162.1	0	0	0	107.9	Y124 N128 Y129 D139 F142 I169	Y124-I126 HydrophobicContact CE2-CD1 4.39Å; Y124-I126 HydrophobicContact CE2-CG1 4.43Å; I126-N128 WeakPolarHBondContact CG2-O 3.35Å; I126-Y129 HydrophobicContact CD1-CE1 4.38Å; I126-Y129 HydrophobicContact CG2-CD1 4.25Å; I126-Y129 HydrophobicContact CG2-CE1 3.81Å; I126-Y129 HydrophobicContact CG2-CE2 4.09Å; I126-D139 WeakPolarHBondContact CD1-OD1 3.37Å; I126-F142 HydrophobicContact CD1-CD2 3.63Å; I126-F142 HydrophobicContact CD1-CE2 4.25Å; I126-F142 HydrophobicContact CG1-CD2 3.89Å; I126-F142 HydrophobicContact CG1-CE2 4.21Å; I126-F142 HydrophobicContact CG2-CE2 4.47Å; I126-I169 HydrophobicContact CG1-CB 4.43Å; I126-I169 HydrophobicContact CG1-CD1 4.28Å
127	L	92.8	Very high	92.3	Very high	82 Å²	82	44 Å²	44	43%	0.429	22%	0.223	S	C	.	.			trans	-88.2	-41.4	-175.8	-72.9	-178.4	0	0	0	112.9	M168 I169	L127-M168 HydrophobicContact CD1-CB 4.08Å; L127-M168 HydrophobicContact CD1-CE 4.04Å; L127-M168 HydrophobicContact CD2-CE 3.4Å; L127-M168 HydrophobicContact CG-CB 4.48Å; L127-M168 HydrophobicContact CG-CE 3.9Å; L127-I169 WeakPolarHBondContact CB-O 3.26Å; L127-I169 PolarHBondContact N-O 3.14Å
128	N	90.9	Very high	92.6	Very high	34 Å²	34	43.2 Å²	43.2	18%	0.182	22%	0.22	C	C	.	.			trans	-149.7	175	178.2	63.1	-20.4	0	0	0	109.7	I126 S170 F171	I126-N128 WeakPolarHBondContact CG2-O 3.35Å; N128-S170 WeakPolarHBondContact OD1-CA 3.4Å; N128-S170 WeakPolarHBondContact OD1-CB 3Å; N128-F171 PolarHBondContact ND2-O 3.02Å; N128-F171 PolarHBondContact OD1-N 2.88Å
129	Y	90.4	Very high	92.8	Very high	40 Å²	40	37.2 Å²	37.2	16%	0.157	19%	0.188	C	C	.	.			trans	-130	149.6	-178.1	-64	-93.3	0	0	0	110.5	I126 I138 D139 R159	I126-Y129 HydrophobicContact CD1-CE1 4.38Å; I126-Y129 HydrophobicContact CG2-CD1 4.25Å; I126-Y129 HydrophobicContact CG2-CE1 3.81Å; I126-Y129 HydrophobicContact CG2-CE2 4.09Å; Y129-I138 HydrophobicContact CD1-CB 3.84Å; Y129-I138 HydrophobicContact CD1-CD1 3.79Å; Y129-I138 HydrophobicContact CD1-CG1 4.41Å; Y129-I138 HydrophobicContact CD1-CG2 3.64Å; Y129-I138 HydrophobicContact CE1-CB 4.2Å; Y129-I138 HydrophobicContact CE1-CG2 3.95Å; Y129-I138 HydrophobicContact CG-CD1 4.37Å; Y129-D139 WeakPolarHBondContact CE1-OD1 3.36Å; Y129-D139 PolarHBondContact OH-OD1 3.11Å; Y129-R159 PolarHBondContact OH-NH2 3.46Å
130	S	90.8	Very high	93	Very high	2 Å²	2	37.8 Å²	37.8	1%	0.014	19%	0.193	C	C	.	.			trans	-73.2	138.6	169.3	-171.4	0	0	0	0	111.2	D132 D207	S130-D132 PolarHBondContact O-N 3.05Å; S130-D207 WeakPolarHBondContact CA-OD1 3.45Å; S130-D207 WeakPolarHBondContact CB-OD1 3.46Å; S130-D207 PolarHBondContact OG-OD1 3Å
131	P	88.8	Confident	93.2	Very high	10 Å²	10	34.1 Å²	34.1	7%	0.065	17%	0.171	C	C	.	.	T	Hydrogen-bonded Turn	trans	-68.2	-13	177.6	27.1	-36.1	0	0	0	113.7	M133 F280 Y312 N332	P131-M133 VanDerWaalsContact C-N 3.34Å; P131-F280 HydrophobicContact CB-CE1 4.19Å; P131-F280 HydrophobicContact CB-CZ 3.86Å; P131-Y312 HydrophobicContact CG-CD1 4.3Å; P131-Y312 HydrophobicContact CG-CE1 4.11Å; P131-N332 HydrophobicContact CB-CB 4.33Å; P131-N332 WeakPolarHBondContact CG-ND2 2.99Å; P131-N332 WeakPolarHBondContact O-CB 3.06Å; P131-N332 PolarHBondContact O-N 2.93Å
132	D	88.4	Confident	93.3	Very high	27 Å²	27	30.6 Å²	30.6	14%	0.144	15%	0.152	C	C	.	.	T	Hydrogen-bonded Turn	trans	-72.6	-23.1	-176.9	-81.6	8.4	0	0	0	114.1	S130 H210 W211 N332	S130-D132 PolarHBondContact O-N 3.05Å; D132-H210 WeakPolarHBondContact OD2-CA 3.46Å; D132-H210 IonicContact OD2-CE1 2.75Å; D132-H210 IonicContact OD2-CG 3.59Å; D132-H210 IonicContact OD2-ND1 2.59Å; D132-H210 PolarHBondContact OD2-ND1 3.13Å; D132-W211 HydrophobicContact CB-CB 4.33Å; D132-W211 PolarHBondContact OD2-N 2.87Å; D132-N332 PolarHBondContact OD1-ND2 3.26Å
133	M	88.4	Confident	93.3	Very high	13 Å²	13	32.6 Å²	32.6	6%	0.064	17%	0.169	C	C	.	.	S	Bend	trans	-135.6	149.7	-174.7	-65.8	178.9	66.5	0	0	112.1	P131 S135 L137 I138 W211 L213 L395	P131-M133 VanDerWaalsContact C-N 3.34Å; M133-S135 PolarHBondContact O-N 3.07Å; M133-L137 HydrophobicContact CE-CB 4.46Å; M133-L137 HydrophobicContact CE-CD2 3.41Å; M133-L137 VanDerWaalsContact CE-CD2 3.41Å; M133-L137 HydrophobicContact CE-CG 3.68Å; M133-I138 HydrophobicContact CB-CD1 4Å; M133-I138 HydrophobicContact CB-CG1 3.82Å; M133-W211 HydrophobicContact CG-CB 4.43Å; M133-W211 VanDerWaalsContact CG-O 3.26Å; M133-W211 WeakPolarHBondContact CG-O 3.37Å; M133-W211 VanDerWaalsContact SD-C 3.52Å; M133-W211 HydrophobicContact SD-CB 3.94Å; M133-W211 VanDerWaalsContact SD-O 3.41Å; M133-L213 HydrophobicContact CE-CD2 3.94Å; M133-L213 HydrophobicContact CE-CG 4.17Å; M133-L395 HydrophobicContact SD-CB 4.27Å; M133-L395 HydrophobicContact SD-CD2 4.32Å
134	D	88.4	Confident	93.2	Very high	13 Å²	13	36 Å²	36	7%	0.07	18%	0.179	C	C	.	.			trans	-56.8	133.4	172	-178.6	-126.6	0	0	0	111	K136 L137 I138 K220 Y222	D134-K136 PolarHBondContact O-N 2.94Å; D134-K136 WeakPolarHBondContact OD1-CB 3.38Å; D134-L137 HydrophobicContact CB-CB 4.07Å; D134-L137 WeakPolarHBondContact O-CA 3.46Å; D134-L137 VanDerWaalsContact O-CB 3.28Å; D134-L137 WeakPolarHBondContact O-CB 3.46Å; D134-L137 PolarHBondContact O-N 3.26Å; D134-I138 PolarHBondContact O-N 3.36Å; D134-K220 HydrophobicContact CB-CB 4.42Å; D134-K220 HydrophobicContact CB-CD 4.36Å; D134-K220 WeakPolarHBondContact OD1-CD 3.34Å; D134-K220 IonicContact OD1-NZ 3.55Å; D134-K220 PolarHBondContact OD1-NZ 3.1Å; D134-Y222 PolarHBondContact OD2-OH 3.15Å
135	S	88	Confident	93.2	Very high	40 Å²	40	35.2 Å²	35.2	28%	0.28	18%	0.176	S	C	.	.	H	α-helix	trans	-59.2	-34.5	-176.5	57.8	0	0	0	0	113	M133 L137 I138 D139	M133-S135 PolarHBondContact O-N 3.07Å; S135-L137 VanDerWaalsContact C-N 3.29Å; S135-L137 PolarHBondContact O-N 2.76Å; S135-I138 PolarHBondContact O-N 3.15Å; S135-D139 WeakPolarHBondContact O-CB 3.43Å; S135-D139 VanDerWaalsContact O-CG 3.22Å; S135-D139 PolarHBondContact O-N 3.03Å
136	K	88.4	Confident	93.3	Very high	144 Å²	144	32.3 Å²	32.3	63%	0.626	17%	0.165	S	C	*	.	H	α-helix	trans	-69.8	-27.6	174.7	-59.9	178.7	178	174.3	0	112.7	D134 D140	D134-K136 PolarHBondContact O-N 2.94Å; D134-K136 WeakPolarHBondContact OD1-CB 3.38Å; K136-D140 WeakPolarHBondContact O-CB 3.48Å; K136-D140 PolarHBondContact O-N 2.8Å; K136-D140 VanDerWaalsContact O-N 3.12Å
137	L	91.8	Very high	93.3	Very high	14 Å²	14	36.5 Å²	36.5	7%	0.073	18%	0.182	C	C	.	.	H	α-helix	trans	-75.8	-38	175	-172.5	63.6	0	0	0	111	M133 D134 S135 D140 A141 L213 V218 M230	M133-L137 HydrophobicContact CE-CB 4.46Å; M133-L137 HydrophobicContact CE-CD2 3.41Å; M133-L137 VanDerWaalsContact CE-CD2 3.41Å; M133-L137 HydrophobicContact CE-CG 3.68Å; D134-L137 HydrophobicContact CB-CB 4.07Å; D134-L137 WeakPolarHBondContact O-CA 3.46Å; D134-L137 VanDerWaalsContact O-CB 3.28Å; D134-L137 WeakPolarHBondContact O-CB 3.46Å; D134-L137 PolarHBondContact O-N 3.26Å; S135-L137 VanDerWaalsContact C-N 3.29Å; S135-L137 PolarHBondContact O-N 2.76Å; L137-D140 PolarHBondContact O-N 2.76Å; L137-A141 WeakPolarHBondContact O-CB 3.39Å; L137-A141 PolarHBondContact O-N 2.92Å; L137-L213 HydrophobicContact CD1-CD1 4.27Å; L137-L213 HydrophobicContact CD2-CD1 4.33Å; L137-L213 HydrophobicContact CD2-CG 4.48Å; L137-V218 HydrophobicContact CD2-CB 4.06Å; L137-V218 HydrophobicContact CD2-CG1 3.47Å; L137-V218 VanDerWaalsContact CD2-CG1 3.47Å; L137-M230 HydrophobicContact CD1-CE 3.82Å; L137-M230 HydrophobicContact CD2-CE 3.97Å; L137-M230 HydrophobicContact CG-CE 4.49Å
138	I	94.9	Very high	93.5	Very high	0 Å²	0	33.3 Å²	33.3	0%	0	17%	0.166	C	C	.	.	H	α-helix	trans	-61.1	-47.5	171.1	-67.8	169.9	0	0	0	110.2	Y129 M133 D134 S135 D140 A141 F142 F171 L395	Y129-I138 HydrophobicContact CD1-CB 3.84Å; Y129-I138 HydrophobicContact CD1-CD1 3.79Å; Y129-I138 HydrophobicContact CD1-CG1 4.41Å; Y129-I138 HydrophobicContact CD1-CG2 3.64Å; Y129-I138 HydrophobicContact CE1-CB 4.2Å; Y129-I138 HydrophobicContact CE1-CG2 3.95Å; Y129-I138 HydrophobicContact CG-CD1 4.37Å; M133-I138 HydrophobicContact CB-CD1 4Å; M133-I138 HydrophobicContact CB-CG1 3.82Å; D134-I138 PolarHBondContact O-N 3.36Å; S135-I138 PolarHBondContact O-N 3.15Å; I138-D140 VanDerWaalsContact C-N 3.31Å; I138-D140 PolarHBondContact O-N 3.07Å; I138-A141 PolarHBondContact O-N 2.66Å; I138-A141 VanDerWaalsContact O-N 3.16Å; I138-F142 HydrophobicContact CG2-CD2 3.64Å; I138-F142 HydrophobicContact CG2-CE2 3.26Å; I138-F142 HydrophobicContact CG2-CZ 3.94Å; I138-F142 WeakPolarHBondContact O-CD2 3.32Å; I138-F142 PolarHBondContact O-N 3.11Å; I138-F171 HydrophobicContact CG2-CE2 4.29Å; I138-F171 HydrophobicContact CG2-CZ 4.39Å; I138-L395 HydrophobicContact CB-CD2 4.15Å; I138-L395 HydrophobicContact CG1-CD2 3.81Å; I138-L395 HydrophobicContact CG2-CD2 3.94Å
139	D	95.6	Very high	93.9	Very high	32 Å²	32	31.7 Å²	31.7	17%	0.171	16%	0.157	C	C	.	.	H	α-helix	trans	-54	-47	175	-75.8	-18.1	0	0	0	112.2	I126 Y129 S135 A143 R159	I126-D139 WeakPolarHBondContact CD1-OD1 3.37Å; Y129-D139 WeakPolarHBondContact CE1-OD1 3.36Å; Y129-D139 PolarHBondContact OH-OD1 3.11Å; S135-D139 WeakPolarHBondContact O-CB 3.43Å; S135-D139 VanDerWaalsContact O-CG 3.22Å; S135-D139 PolarHBondContact O-N 3.03Å; D139-A143 VanDerWaalsContact O-CB 3.3Å; D139-A143 WeakPolarHBondContact O-CB 3.47Å; D139-A143 PolarHBondContact O-N 3.43Å; D139-R159 IonicContact OD1-CZ 2.82Å; D139-R159 IonicContact OD1-NH1 2.85Å; D139-R159 PolarHBondContact OD1-NH1 3.13Å; D139-R159 VanDerWaalsContact OD1-NH1 3.07Å; D139-R159 IonicContact OD1-NH2 3.75Å; D139-R159 PolarHBondContact OD1-NH2 3.49Å; D139-R159 IonicContact OD2-CZ 3.2Å; D139-R159 IonicContact OD2-NH1 3.8Å; D139-R159 PolarHBondContact OD2-NH1 3.3Å; D139-R159 IonicContact OD2-NH2 3.83Å; D139-R159 PolarHBondContact OD2-NH2 2.69Å
140	D	95.9	Very high	94.2	Very high	70 Å²	70	30.8 Å²	30.8	37%	0.374	16%	0.157	S	C	.	.	H	α-helix	trans	-65.7	-42.2	177.1	174.9	79.4	0	0	0	112.3	K136 L137 I138 F142 A143 R144	K136-D140 WeakPolarHBondContact O-CB 3.48Å; K136-D140 PolarHBondContact O-N 2.8Å; K136-D140 VanDerWaalsContact O-N 3.12Å; L137-D140 PolarHBondContact O-N 2.76Å; I138-D140 VanDerWaalsContact C-N 3.31Å; I138-D140 PolarHBondContact O-N 3.07Å; D140-F142 PolarHBondContact O-N 2.75Å; D140-A143 PolarHBondContact O-N 3.26Å; D140-R144 WeakPolarHBondContact O-CB 3.22Å; D140-R144 WeakPolarHBondContact O-CG 3.3Å; D140-R144 PolarHBondContact O-N 3.09Å; D140-R144 IonicContact OD1-NE 3.97Å; D140-R144 IonicContact OD2-CZ 3.24Å; D140-R144 IonicContact OD2-NE 3.85Å; D140-R144 PolarHBondContact OD2-NE 3.45Å; D140-R144 IonicContact OD2-NH2 3.76Å; D140-R144 PolarHBondContact OD2-NH2 2.96Å
141	A	97.3	Very high	94.5	Very high	0 Å²	0	34 Å²	34	0%	0	17%	0.174	C	C	.	.	H	α-helix	trans	-60.5	-46.6	178	0	0	0	0	0	111.2	L137 I138 R144 A145 L395 F396	L137-A141 WeakPolarHBondContact O-CB 3.39Å; L137-A141 PolarHBondContact O-N 2.92Å; I138-A141 PolarHBondContact O-N 2.66Å; I138-A141 VanDerWaalsContact O-N 3.16Å; A141-R144 PolarHBondContact O-N 3.49Å; A141-A145 WeakPolarHBondContact O-CB 3.45Å; A141-A145 PolarHBondContact O-N 3.34Å; A141-L395 HydrophobicContact CB-CD2 4.24Å; A141-L395 HydrophobicContact CB-CG 4.34Å; A141-F396 HydrophobicContact CB-CB 4.43Å
142	F	98.5	Very high	94.8	Very high	0 Å²	0	35 Å²	35	0%	0	18%	0.18	C	C	.	.	H	α-helix	trans	-66.6	-42.6	175.7	-66.3	-34.8	0	0	0	112.4	I126 I138 D140 R144 A145 F146 I169 F171 F205 L395 A399 F403	I126-F142 HydrophobicContact CD1-CD2 3.63Å; I126-F142 HydrophobicContact CD1-CE2 4.25Å; I126-F142 HydrophobicContact CG1-CD2 3.89Å; I126-F142 HydrophobicContact CG1-CE2 4.21Å; I126-F142 HydrophobicContact CG2-CE2 4.47Å; I138-F142 HydrophobicContact CG2-CD2 3.64Å; I138-F142 HydrophobicContact CG2-CE2 3.26Å; I138-F142 HydrophobicContact CG2-CZ 3.94Å; I138-F142 WeakPolarHBondContact O-CD2 3.32Å; I138-F142 PolarHBondContact O-N 3.11Å; D140-F142 PolarHBondContact O-N 2.75Å; F142-R144 VanDerWaalsContact C-N 3.32Å; F142-R144 PolarHBondContact O-N 2.86Å; F142-A145 WeakPolarHBondContact O-CB 3.43Å; F142-A145 PolarHBondContact O-N 3.32Å; F142-F146 VanDerWaalsContact O-CD2 3.28Å; F142-F146 WeakPolarHBondContact O-CD2 3.44Å; F142-F146 PolarHBondContact O-N 2.94Å; F142-I169 HydrophobicContact CD2-CD1 4.4Å; F142-I169 HydrophobicContact CD2-CG2 4.31Å; F142-I169 HydrophobicContact CE1-CG2 4.19Å; F142-I169 HydrophobicContact CE2-CG2 3.61Å; F142-I169 HydrophobicContact CG-CD1 4.43Å; F142-I169 HydrophobicContact CZ-CG2 3.55Å; F142-F171 HydrophobicContact CE2-CE2 4.12Å; F142-F171 HydrophobicContact CE2-CZ 4.36Å; F142-F171 AromaticContact CZ-CE2 3.86Å; F142-F171 HydrophobicContact CZ-CE2 3.86Å; F142-F171 AromaticContact CZ-CZ 3.74Å; F142-F171 HydrophobicContact CZ-CZ 3.74Å; F142-F205 HydrophobicContact CE1-CD2 4.47Å; F142-F205 HydrophobicContact CE1-CE1 4.12Å; F142-F205 AromaticContact CE1-CE2 3.85Å; F142-F205 HydrophobicContact CE1-CE2 3.85Å; F142-F205 AromaticContact CE1-CZ 3.65Å; F142-F205 HydrophobicContact CE1-CZ 3.65Å; F142-F205 HydrophobicContact CZ-CD2 4.32Å; F142-F205 HydrophobicContact CZ-CE2 4.04Å; F142-F205 HydrophobicContact CZ-CZ 4.28Å; F142-L395 HydrophobicContact CE1-CD1 3.74Å; F142-L395 HydrophobicContact CE1-CD2 4.16Å; F142-L395 HydrophobicContact CE1-CG 3.94Å; F142-L395 HydrophobicContact CZ-CD1 4.07Å; F142-L395 HydrophobicContact CZ-CD2 4.19Å; F142-L395 HydrophobicContact CZ-CG 4.39Å; F142-A399 HydrophobicContact CD1-CB 3.53Å; F142-A399 HydrophobicContact CE1-CB 3.71Å; F142-F403 HydrophobicContact CB-CE2 4.21Å; F142-F403 HydrophobicContact CB-CZ 4.16Å; F142-F403 HydrophobicContact CD1-CE2 4.19Å; F142-F403 AromaticContact CD1-CZ 3.69Å; F142-F403 HydrophobicContact CD1-CZ 3.69Å; F142-F403 HydrophobicContact CE1-CZ 4.35Å; F142-F403 HydrophobicContact CG-CZ 4.11Å
143	A	98.1	Very high	95.1	Very high	43 Å²	43	33.7 Å²	33.7	36%	0.355	17%	0.173	S	C	.	.	H	α-helix	trans	-60.6	-42.1	176.3	0	0	0	0	0	112	D139 D140 F146 K147	D139-A143 VanDerWaalsContact O-CB 3.3Å; D139-A143 WeakPolarHBondContact O-CB 3.47Å; D139-A143 PolarHBondContact O-N 3.43Å; D140-A143 PolarHBondContact O-N 3.26Å; A143-F146 PolarHBondContact O-N 3.2Å; A143-K147 WeakPolarHBondContact O-CB 3.31Å; A143-K147 PolarHBondContact O-N 2.92Å
144	R	97.8	Very high	95.5	Very high	97 Å²	97	35.4 Å²	35.4	37%	0.366	19%	0.185	S	C	.	.	H	α-helix	trans	-66	-40.1	173.9	-75.5	-167.9	-74.7	148.4	-3.4	111.9	D140 A141 F142 F146 K147 V148 F396	D140-R144 WeakPolarHBondContact O-CB 3.22Å; D140-R144 WeakPolarHBondContact O-CG 3.3Å; D140-R144 PolarHBondContact O-N 3.09Å; D140-R144 IonicContact OD1-NE 3.97Å; D140-R144 IonicContact OD2-CZ 3.24Å; D140-R144 IonicContact OD2-NE 3.85Å; D140-R144 PolarHBondContact OD2-NE 3.45Å; D140-R144 IonicContact OD2-NH2 3.76Å; D140-R144 PolarHBondContact OD2-NH2 2.96Å; A141-R144 PolarHBondContact O-N 3.49Å; F142-R144 VanDerWaalsContact C-N 3.32Å; F142-R144 PolarHBondContact O-N 2.86Å; R144-F146 PolarHBondContact O-N 3.41Å; R144-K147 WeakPolarHBondContact O-CA 3.34Å; R144-K147 VanDerWaalsContact O-CB 3.27Å; R144-K147 WeakPolarHBondContact O-CB 3.44Å; R144-K147 PolarHBondContact O-N 3.45Å; R144-K147 VanDerWaalsContact O-N 3.09Å; R144-V148 WeakPolarHBondContact O-CG2 3.4Å; R144-V148 PolarHBondContact O-N 3.38Å; R144-V148 VanDerWaalsContact O-N 3.11Å; R144-F396 HydrophobicContact CB-CD2 3.77Å; R144-F396 HydrophobicContact CB-CE2 3.74Å
145	A	98.6	Very high	95.9	Very high	0 Å²	0	34.9 Å²	34.9	0%	0	18%	0.183	C	C	.	.	H	α-helix	trans	-61.4	-40.4	175.9	0	0	0	0	0	112.3	A141 F142 K147 V148 F396 A399 A400 F403	A141-A145 WeakPolarHBondContact O-CB 3.45Å; A141-A145 PolarHBondContact O-N 3.34Å; F142-A145 WeakPolarHBondContact O-CB 3.43Å; F142-A145 PolarHBondContact O-N 3.32Å; A145-K147 VanDerWaalsContact C-N 3.34Å; A145-V148 WeakPolarHBondContact O-CB 3.5Å; A145-V148 PolarHBondContact O-N 3.02Å; A145-F396 HydrophobicContact CB-CD2 4.26Å; A145-A399 HydrophobicContact CB-CB 3.8Å; A145-A400 HydrophobicContact CB-CB 3.98Å; A145-F403 HydrophobicContact CB-CD2 3.68Å; A145-F403 HydrophobicContact CB-CE2 3.62Å
146	F	98.6	Very high	96.4	Very high	3 Å²	3	36.4 Å²	36.4	1%	0.013	19%	0.19	C	C	.	.	H	α-helix	trans	-67.1	-35.2	170.3	-79.2	-57.4	0	0	0	113	Y124 F142 A143 R144 V148 W149 S150 F157 I167 I169 F403	Y124-F146 AromaticContact CD1-CD2 3.89Å; Y124-F146 HydrophobicContact CD1-CD2 3.89Å; Y124-F146 AromaticContact CD1-CE2 3.56Å; Y124-F146 HydrophobicContact CD1-CE2 3.56Å; Y124-F146 HydrophobicContact CD1-CZ 4.14Å; Y124-F146 HydrophobicContact CD2-CD2 4.36Å; Y124-F146 AromaticContact CD2-CE2 3.56Å; Y124-F146 HydrophobicContact CD2-CE2 3.56Å; Y124-F146 HydrophobicContact CD2-CZ 4.33Å; Y124-F146 AromaticContact CE1-CD2 3.85Å; Y124-F146 HydrophobicContact CE1-CD2 3.85Å; Y124-F146 AromaticContact CE1-CE2 3.92Å; Y124-F146 HydrophobicContact CE1-CE2 3.92Å; Y124-F146 HydrophobicContact CE2-CD2 4.3Å; Y124-F146 AromaticContact CE2-CE2 3.9Å; Y124-F146 HydrophobicContact CE2-CE2 3.9Å; Y124-F146 HydrophobicContact CG-CD2 4.13Å; Y124-F146 AromaticContact CG-CE2 3.35Å; Y124-F146 HydrophobicContact CG-CE2 3.35Å; Y124-F146 AromaticContact CG-CZ 3.82Å; Y124-F146 HydrophobicContact CG-CZ 3.82Å; F142-F146 VanDerWaalsContact O-CD2 3.28Å; F142-F146 WeakPolarHBondContact O-CD2 3.44Å; F142-F146 PolarHBondContact O-N 2.94Å; A143-F146 PolarHBondContact O-N 3.2Å; R144-F146 PolarHBondContact O-N 3.41Å; F146-V148 PolarHBondContact O-N 2.8Å; F146-W149 PolarHBondContact O-N 2.89Å; F146-W149 VanDerWaalsContact O-N 3.15Å; F146-S150 PolarHBondContact O-N 3.35Å; F146-S150 VanDerWaalsContact O-N 3.1Å; F146-S150 PolarHBondContact O-OG 3.44Å; F146-F157 HydrophobicContact CB-CB 4.04Å; F146-F157 HydrophobicContact CB-CD1 4.34Å; F146-F157 HydrophobicContact CB-CD2 3.63Å; F146-F157 HydrophobicContact CB-CE2 4.14Å; F146-F157 HydrophobicContact CB-CG 3.73Å; F146-F157 HydrophobicContact CD1-CB 4.35Å; F146-F157 AromaticContact CD1-CD1 3.32Å; F146-F157 HydrophobicContact CD1-CD1 3.32Å; F146-F157 HydrophobicContact CD1-CD2 4.03Å; F146-F157 AromaticContact CD1-CE1 3.44Å; F146-F157 HydrophobicContact CD1-CE1 3.44Å; F146-F157 VanDerWaalsContact CD1-CE1 3.44Å; F146-F157 HydrophobicContact CD1-CE2 4.12Å; F146-F157 AromaticContact CD1-CG 3.62Å; F146-F157 HydrophobicContact CD1-CG 3.62Å; F146-F157 AromaticContact CD1-CZ 3.85Å; F146-F157 HydrophobicContact CD1-CZ 3.85Å; F146-F157 AromaticContact CE1-CD1 3.73Å; F146-F157 HydrophobicContact CE1-CD1 3.73Å; F146-F157 AromaticContact CE1-CE1 3.82Å; F146-F157 HydrophobicContact CE1-CE1 3.82Å; F146-F157 HydrophobicContact CE1-CG 4.42Å; F146-F157 HydrophobicContact CG-CB 4.09Å; F146-F157 AromaticContact CG-CD1 3.93Å; F146-F157 HydrophobicContact CG-CD1 3.93Å; F146-F157 HydrophobicContact CG-CD2 4.13Å; F146-F157 HydrophobicContact CG-CE1 4.4Å; F146-F157 AromaticContact CG-CG 3.77Å; F146-F157 HydrophobicContact CG-CG 3.77Å; F146-F157 VanDerWaalsContact O-CE2 3.25Å; F146-F157 WeakPolarHBondContact O-CE2 3.36Å; F146-I167 HydrophobicContact CE1-CD1 3.73Å; F146-I167 HydrophobicContact CZ-CD1 4.03Å; F146-I167 HydrophobicContact CZ-CG2 4.32Å; F146-I169 HydrophobicContact CE2-CD1 4Å; F146-I169 HydrophobicContact CZ-CD1 4.21Å; F146-F403 HydrophobicContact CD1-CB 4.32Å; F146-F403 AromaticContact CD1-CD2 3.6Å; F146-F403 HydrophobicContact CD1-CD2 3.6Å; F146-F403 HydrophobicContact CD1-CE2 4.11Å; F146-F403 HydrophobicContact CD1-CG 4.03Å; F146-F403 AromaticContact CD2-CD2 3.96Å; F146-F403 HydrophobicContact CD2-CD2 3.96Å; F146-F403 AromaticContact CD2-CE2 3.59Å; F146-F403 HydrophobicContact CD2-CE2 3.59Å; F146-F403 HydrophobicContact CD2-CZ 4.27Å; F146-F403 HydrophobicContact CE1-CB 4.06Å; F146-F403 HydrophobicContact CE1-CD1 4.04Å; F146-F403 AromaticContact CE1-CD2 3.55Å; F146-F403 HydrophobicContact CE1-CD2 3.55Å; F146-F403 HydrophobicContact CE1-CE1 4.41Å; F146-F403 AromaticContact CE1-CE2 3.95Å; F146-F403 HydrophobicContact CE1-CE2 3.95Å; F146-F403 AromaticContact CE1-CG 3.61Å; F146-F403 HydrophobicContact CE1-CG 3.61Å; F146-F403 HydrophobicContact CE1-CZ 4.38Å; F146-F403 AromaticContact CE2-CD2 3.91Å; F146-F403 HydrophobicContact CE2-CD2 3.91Å; F146-F403 HydrophobicContact CE2-CE1 4.26Å; F146-F403 AromaticContact CE2-CE2 3.41Å; F146-F403 HydrophobicContact CE2-CE2 3.41Å; F146-F403 VanDerWaalsContact CE2-CE2 3.41Å; F146-F403 AromaticContact CE2-CZ 3.63Å; F146-F403 HydrophobicContact CE2-CZ 3.63Å; F146-F403 AromaticContact CG-CD2 3.8Å; F146-F403 HydrophobicContact CG-CD2 3.8Å; F146-F403 AromaticContact CG-CE2 3.94Å; F146-F403 HydrophobicContact CG-CE2 3.94Å; F146-F403 AromaticContact CZ-CD1 3.93Å; F146-F403 HydrophobicContact CZ-CD1 3.93Å; F146-F403 AromaticContact CZ-CD2 3.71Å; F146-F403 HydrophobicContact CZ-CD2 3.71Å; F146-F403 AromaticContact CZ-CE1 3.85Å; F146-F403 HydrophobicContact CZ-CE1 3.85Å; F146-F403 AromaticContact CZ-CE2 3.6Å; F146-F403 HydrophobicContact CZ-CE2 3.6Å; F146-F403 AromaticContact CZ-CG 3.89Å; F146-F403 HydrophobicContact CZ-CG 3.89Å; F146-F403 AromaticContact CZ-CZ 3.69Å; F146-F403 HydrophobicContact CZ-CZ 3.69Å
147	K	97.1	Very high	96.9	Very high	102 Å²	102	31.2 Å²	31.2	44%	0.443	17%	0.168	S	C	.	.	H	α-helix	trans	-59.4	-36.5	177.3	-164.8	-174.6	-178.9	-53.7	0	112.1	A143 R144 A145 W149 S150 D151	A143-K147 WeakPolarHBondContact O-CB 3.31Å; A143-K147 PolarHBondContact O-N 2.92Å; R144-K147 WeakPolarHBondContact O-CA 3.34Å; R144-K147 VanDerWaalsContact O-CB 3.27Å; R144-K147 WeakPolarHBondContact O-CB 3.44Å; R144-K147 PolarHBondContact O-N 3.45Å; R144-K147 VanDerWaalsContact O-N 3.09Å; A145-K147 VanDerWaalsContact C-N 3.34Å; K147-W149 PolarHBondContact O-N 3.5Å; K147-S150 WeakPolarHBondContact CA-OG 3.47Å; K147-S150 PolarHBondContact O-N 3.35Å; K147-S150 PolarHBondContact O-OG 2.75Å; K147-D151 IonicContact NZ-OD1 3.55Å; K147-D151 PolarHBondContact NZ-OD1 3.04Å; K147-D151 IonicContact NZ-OD2 2.86Å; K147-D151 PolarHBondContact NZ-OD2 3.33Å; K147-D151 WeakPolarHBondContact O-CB 3.1Å; K147-D151 PolarHBondContact O-N 3.38Å
148	V	97.9	Very high	97.2	Very high	15 Å²	15	33.3 Å²	33.3	9%	0.091	18%	0.181	C	C	.	.	H	α-helix	trans	-48.8	-45.6	174.8	172.9	0	0	0	0	111.3	R144 A145 F146 F396 A400 L418 F429 L431	R144-V148 WeakPolarHBondContact O-CG2 3.4Å; R144-V148 PolarHBondContact O-N 3.38Å; R144-V148 VanDerWaalsContact O-N 3.11Å; A145-V148 WeakPolarHBondContact O-CB 3.5Å; A145-V148 PolarHBondContact O-N 3.02Å; F146-V148 PolarHBondContact O-N 2.8Å; V148-F396 HydrophobicContact CG2-CE2 3.83Å; V148-F396 HydrophobicContact CG2-CZ 3.76Å; V148-A400 HydrophobicContact CG2-CB 4.36Å; V148-L418 HydrophobicContact CG1-CD2 4.35Å; V148-F429 HydrophobicContact CG1-CE1 3.84Å; V148-F429 HydrophobicContact CG1-CZ 4.2Å; V148-F429 HydrophobicContact CG2-CD1 4.45Å; V148-F429 HydrophobicContact CG2-CE1 3.8Å; V148-L431 HydrophobicContact CG1-CD1 3.47Å; V148-L431 VanDerWaalsContact CG1-CD1 3.47Å; V148-L431 HydrophobicContact CG1-CD2 3.54Å; V148-L431 HydrophobicContact CG1-CG 3.4Å; V148-L431 VanDerWaalsContact O-CD1 3.28Å; V148-L431 WeakPolarHBondContact O-CD1 3.39Å
149	W	98.1	Very high	97.3	Very high	0 Å²	0	36.1 Å²	36.1	0%	0	19%	0.192	C	C	.	.	H	α-helix	trans	-82.5	-37.8	-178.4	-57.6	114.9	0	0	0	113.7	F146 K147 D151 V152 T153 F157 A400 G404 L407 L409 L418 M419 L431 D435 I439	F146-W149 PolarHBondContact O-N 2.89Å; F146-W149 VanDerWaalsContact O-N 3.15Å; K147-W149 PolarHBondContact O-N 3.5Å; W149-D151 VanDerWaalsContact C-N 3.28Å; W149-D151 PolarHBondContact O-N 3.25Å; W149-V152 PolarHBondContact O-N 2.98Å; W149-T153 PolarHBondContact O-N 3.14Å; W149-T153 PolarHBondContact O-OG1 3.48Å; W149-F157 HydrophobicContact CB-CE2 4.3Å; W149-F157 HydrophobicContact CB-CZ 4.32Å; W149-A400 WeakPolarHBondContact CZ2-O 3.26Å; W149-A400 PolarHBondContact NE1-O 2.72Å; W149-G404 VanDerWaalsContact CZ2-CA 3.46Å; W149-L407 HydrophobicContact CB-CD1 3.64Å; W149-L407 HydrophobicContact CD2-CD1 4.16Å; W149-L407 HydrophobicContact CG-CD1 3.54Å; W149-L409 HydrophobicContact CE3-CD1 4.34Å; W149-L409 HydrophobicContact CH2-CD1 3.35Å; W149-L409 HydrophobicContact CZ2-CD1 4.12Å; W149-L409 HydrophobicContact CZ3-CD1 3.49Å; W149-L409 VanDerWaalsContact CZ3-CD1 3.49Å; W149-L418 HydrophobicContact CH2-CD2 4.06Å; W149-L418 HydrophobicContact CZ2-CD2 3.61Å; W149-M419 HydrophobicContact CH2-CG 4.17Å; W149-M419 HydrophobicContact CH2-SD 4.01Å; W149-M419 HydrophobicContact CZ2-SD 3.93Å; W149-L431 HydrophobicContact CE3-CD1 4.34Å; W149-L431 HydrophobicContact CE3-CD2 4.47Å; W149-L431 HydrophobicContact CH2-CD2 3.93Å; W149-L431 HydrophobicContact CZ3-CD1 4.4Å; W149-L431 HydrophobicContact CZ3-CD2 3.9Å; W149-D435 HydrophobicContact CH2-CB 4.16Å; W149-D435 HydrophobicContact CZ3-CB 4.16Å; W149-I439 HydrophobicContact CE3-CB 3.92Å; W149-I439 HydrophobicContact CE3-CD1 4.21Å; W149-I439 HydrophobicContact CE3-CG1 3.83Å; W149-I439 HydrophobicContact CE3-CG2 3.97Å; W149-I439 HydrophobicContact CZ3-CB 3.97Å; W149-I439 HydrophobicContact CZ3-CG1 4.33Å; W149-I439 HydrophobicContact CZ3-CG2 4.12Å
150	S	97.3	Very high	97.3	Very high	22 Å²	22	37.1 Å²	37.1	15%	0.154	20%	0.197	C	C	.	.	H	α-helix	trans	-73.9	-15.8	178.4	57.3	0	0	0	0	114	F146 K147 V152 T153 L155 K446	F146-S150 PolarHBondContact O-N 3.35Å; F146-S150 VanDerWaalsContact O-N 3.1Å; F146-S150 PolarHBondContact O-OG 3.44Å; K147-S150 WeakPolarHBondContact CA-OG 3.47Å; K147-S150 PolarHBondContact O-N 3.35Å; K147-S150 PolarHBondContact O-OG 2.75Å; S150-V152 VanDerWaalsContact C-N 3.33Å; S150-T153 VanDerWaalsContact O-O 3.12Å; S150-L155 WeakPolarHBondContact CB-O 3.31Å; S150-K446 PolarHBondContact O-NZ 3.44Å
151	D	96.5	Very high	97.2	Very high	69 Å²	69	41.1 Å²	41.1	37%	0.369	21%	0.211	S	C	.	.	H	α-helix	trans	-68.7	-33.8	173	-79.8	-15.8	0	0	0	111.9	K147 W149 K446	K147-D151 IonicContact NZ-OD1 3.55Å; K147-D151 PolarHBondContact NZ-OD1 3.04Å; K147-D151 IonicContact NZ-OD2 2.86Å; K147-D151 PolarHBondContact NZ-OD2 3.33Å; K147-D151 WeakPolarHBondContact O-CB 3.1Å; K147-D151 PolarHBondContact O-N 3.38Å; W149-D151 VanDerWaalsContact C-N 3.28Å; W149-D151 PolarHBondContact O-N 3.25Å; D151-K446 WeakPolarHBondContact O-CD 3.49Å
152	V	95.5	Very high	96.9	Very high	30 Å²	30	49 Å²	49	18%	0.182	25%	0.248	C	C	.	.	H	α-helix	trans	-107.5	-2.4	-174.4	-61.3	0	0	0	0	114.3	W149 S150 L431 I436 I439 Q440	W149-V152 PolarHBondContact O-N 2.98Å; S150-V152 VanDerWaalsContact C-N 3.33Å; V152-L431 HydrophobicContact CG1-CD1 4.31Å; V152-L431 HydrophobicContact CG2-CD1 3.92Å; V152-I436 HydrophobicContact CB-CG2 4.4Å; V152-I436 HydrophobicContact CG1-CD1 4.41Å; V152-I436 HydrophobicContact CG1-CG1 4.27Å; V152-I439 HydrophobicContact CG2-CG2 3.78Å; V152-Q440 WeakPolarHBondContact O-CG 3.37Å; V152-Q440 PolarHBondContact O-NE2 2.88Å
153	T	95.8	Very high	96.6	Very high	0 Å²	0	51 Å²	51	0%	0	27%	0.269	C	S	.	.	S	Bend	trans	-131.4	169.3	-179.8	66.4	0	0	0	0	112.6	W149 S150 L155 I439	W149-T153 PolarHBondContact O-N 3.14Å; W149-T153 PolarHBondContact O-OG1 3.48Å; S150-T153 VanDerWaalsContact O-O 3.12Å; T153-L155 PolarHBondContact O-N 3.32Å; T153-L155 WeakPolarHBondContact OG1-CB 3.28Å; T153-L155 PolarHBondContact OG1-N 2.67Å; T153-I439 HydrophobicContact CG2-CB 4.22Å; T153-I439 HydrophobicContact CG2-CG1 3.65Å; T153-I439 HydrophobicContact CG2-CG2 3.68Å
154	P	96.7	Very high	96.5	Very high	50 Å²	50	55.9 Å²	55.9	33%	0.325	29%	0.289	S	S	.	.	S	Bend	trans	-72.5	-1.4	167.9	-18.6	32.8	0	0	0	115	Y443 G444	P154-Y443 WeakPolarHBondContact CD-O 3.38Å; P154-G444 VanDerWaalsContact CD-O 3.28Å; P154-G444 WeakPolarHBondContact CD-O 3.31Å
155	L	96.8	Very high	96.4	Very high	2 Å²	2	51.9 Å²	51.9	1%	0.01	28%	0.277	C	S	.	.			trans	-64.9	140.8	-177.1	-69.5	164.5	0	0	0	111.3	T120 V122 S150 T153 F157 L407 Y443	T120-L155 CarbonylContact O-C 3.55Å; T120-L155 VanDerWaalsContact O-CA 3.32Å; T120-L155 WeakPolarHBondContact O-CA 3.48Å; V122-L155 HydrophobicContact CG2-CD2 3.89Å; S150-L155 WeakPolarHBondContact CB-O 3.31Å; T153-L155 PolarHBondContact O-N 3.32Å; T153-L155 WeakPolarHBondContact OG1-CB 3.28Å; T153-L155 PolarHBondContact OG1-N 2.67Å; L155-F157 HydrophobicContact CB-CE2 4.1Å; L155-F157 HydrophobicContact CB-CZ 4.03Å; L155-F157 HydrophobicContact CD1-CZ 4.23Å; L155-L407 HydrophobicContact CD1-CD1 4.13Å; L155-L407 HydrophobicContact CD1-CD2 3.74Å; L155-Y443 HydrophobicContact CD1-CD1 3.96Å; L155-Y443 HydrophobicContact CD1-CD2 3.71Å; L155-Y443 HydrophobicContact CD1-CE1 4.23Å; L155-Y443 HydrophobicContact CD1-CE2 4Å; L155-Y443 HydrophobicContact CD1-CG 3.7Å; L155-Y443 HydrophobicContact CD2-CD1 3.61Å; L155-Y443 HydrophobicContact CD2-CE1 3.79Å; L155-Y443 HydrophobicContact CD2-CG 4.17Å; L155-Y443 HydrophobicContact CG-CD1 3.92Å; L155-Y443 HydrophobicContact CG-CD2 4.47Å; L155-Y443 HydrophobicContact CG-CE1 4.42Å; L155-Y443 HydrophobicContact CG-CG 3.95Å
156	T	97.7	Very high	96.4	Very high	71 Å²	71	53.9 Å²	53.9	44%	0.436	29%	0.287	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-118.4	151.9	166.2	59.2	0	0	0	0	109.5	T120 D121 V122	T120-T156 PolarHBondContact O-N 3.19Å; D121-T156 WeakPolarHBondContact CA-OG1 3.25Å; D121-T156 WeakPolarHBondContact CB-OG1 2.99Å; D121-T156 PolarHBondContact OD1-OG1 2.95Å; V122-T156 PolarHBondContact N-O 2.89Å
157	F	98.3	Very high	96.3	Very high	36 Å²	36	53.8 Å²	53.8	16%	0.158	29%	0.287	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-124.3	122.4	-177.8	-62.3	-78.1	0	0	0	110.5	V122 Y124 F146 W149 L155 L407	V122-F157 HydrophobicContact CB-CD1 3.93Å; V122-F157 HydrophobicContact CB-CE1 3.94Å; V122-F157 HydrophobicContact CG1-CD1 4.36Å; V122-F157 HydrophobicContact CG1-CE1 4.3Å; V122-F157 HydrophobicContact CG2-CE1 4.46Å; V122-F157 VanDerWaalsContact O-CA 3.25Å; V122-F157 WeakPolarHBondContact O-CA 3.46Å; Y124-F157 HydrophobicContact CD1-CB 4.29Å; Y124-F157 HydrophobicContact CE1-CB 4.31Å; F146-F157 HydrophobicContact CB-CB 4.04Å; F146-F157 HydrophobicContact CB-CD1 4.34Å; F146-F157 HydrophobicContact CB-CD2 3.63Å; F146-F157 HydrophobicContact CB-CE2 4.14Å; F146-F157 HydrophobicContact CB-CG 3.73Å; F146-F157 HydrophobicContact CD1-CB 4.35Å; F146-F157 AromaticContact CD1-CD1 3.32Å; F146-F157 HydrophobicContact CD1-CD1 3.32Å; F146-F157 HydrophobicContact CD1-CD2 4.03Å; F146-F157 AromaticContact CD1-CE1 3.44Å; F146-F157 HydrophobicContact CD1-CE1 3.44Å; F146-F157 VanDerWaalsContact CD1-CE1 3.44Å; F146-F157 HydrophobicContact CD1-CE2 4.12Å; F146-F157 AromaticContact CD1-CG 3.62Å; F146-F157 HydrophobicContact CD1-CG 3.62Å; F146-F157 AromaticContact CD1-CZ 3.85Å; F146-F157 HydrophobicContact CD1-CZ 3.85Å; F146-F157 AromaticContact CE1-CD1 3.73Å; F146-F157 HydrophobicContact CE1-CD1 3.73Å; F146-F157 AromaticContact CE1-CE1 3.82Å; F146-F157 HydrophobicContact CE1-CE1 3.82Å; F146-F157 HydrophobicContact CE1-CG 4.42Å; F146-F157 HydrophobicContact CG-CB 4.09Å; F146-F157 AromaticContact CG-CD1 3.93Å; F146-F157 HydrophobicContact CG-CD1 3.93Å; F146-F157 HydrophobicContact CG-CD2 4.13Å; F146-F157 HydrophobicContact CG-CE1 4.4Å; F146-F157 AromaticContact CG-CG 3.77Å; F146-F157 HydrophobicContact CG-CG 3.77Å; F146-F157 VanDerWaalsContact O-CE2 3.25Å; F146-F157 WeakPolarHBondContact O-CE2 3.36Å; W149-F157 HydrophobicContact CB-CE2 4.3Å; W149-F157 HydrophobicContact CB-CZ 4.32Å; L155-F157 HydrophobicContact CB-CE2 4.1Å; L155-F157 HydrophobicContact CB-CZ 4.03Å; L155-F157 HydrophobicContact CD1-CZ 4.23Å; F157-L407 HydrophobicContact CE1-CD1 4.47Å; F157-L407 HydrophobicContact CE1-CD2 3.95Å; F157-L407 HydrophobicContact CZ-CD1 3.92Å; F157-L407 HydrophobicContact CZ-CD2 4.02Å
158	T	97.8	Very high	96.4	Very high	57 Å²	57	49.8 Å²	49.8	35%	0.35	27%	0.27	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-117.6	116.9	-176.1	-63.9	0	0	0	0	110.5	D121 V122 T123 Y124 L160	D121-T158 PolarHBondContact OD1-OG1 2.89Å; V122-T158 PolarHBondContact O-N 3.16Å; T123-T158 CarbonylContact C-O 3.56Å; T123-T158 VanDerWaalsContact CA-O 3.22Å; T123-T158 WeakPolarHBondContact CA-O 3.4Å; Y124-T158 PolarHBondContact N-O 2.95Å; T158-L160 PolarHBondContact O-N 2.86Å
159	R	97.6	Very high	96.4	Very high	60 Å²	60	49.1 Å²	49.1	23%	0.226	27%	0.266	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-73.6	128	177.2	-171.1	179.1	176.4	-177.8	6	111.2	Y124 Y129 D139 F161	Y124-R159 HydrophobicContact CD1-CB 4.39Å; Y124-R159 HydrophobicContact CD2-CG 4.34Å; Y124-R159 HydrophobicContact CE1-CB 3.75Å; Y124-R159 HydrophobicContact CE1-CG 4.43Å; Y124-R159 HydrophobicContact CE2-CB 4.03Å; Y124-R159 HydrophobicContact CE2-CG 3.81Å; Y124-R159 CarbonylContact O-C 3.53Å; Y124-R159 WeakPolarHBondContact O-CA 3.41Å; Y129-R159 PolarHBondContact OH-NH2 3.46Å; D139-R159 IonicContact OD1-CZ 2.82Å; D139-R159 IonicContact OD1-NH1 2.85Å; D139-R159 PolarHBondContact OD1-NH1 3.13Å; D139-R159 VanDerWaalsContact OD1-NH1 3.07Å; D139-R159 IonicContact OD1-NH2 3.75Å; D139-R159 PolarHBondContact OD1-NH2 3.49Å; D139-R159 IonicContact OD2-CZ 3.2Å; D139-R159 IonicContact OD2-NH1 3.8Å; D139-R159 PolarHBondContact OD2-NH1 3.3Å; D139-R159 IonicContact OD2-NH2 3.83Å; D139-R159 PolarHBondContact OD2-NH2 2.69Å; R159-F161 HydrophobicContact CG-CZ 4.38Å
160	L	96.7	Very high	96.3	Very high	53 Å²	53	50 Å²	50	28%	0.277	27%	0.272	S	S	.	.			trans	-102.3	145.8	168.6	-56.5	-175.7	0	0	0	110.9	T123 Y124 R125 T158 A165	T123-L160 HydrophobicContact CG2-CD1 4.12Å; T123-L160 HydrophobicContact CG2-CD2 4.46Å; T123-L160 HydrophobicContact CG2-CG 4.27Å; Y124-L160 PolarHBondContact O-N 3.15Å; R125-L160 WeakPolarHBondContact CG-O 3.07Å; T158-L160 PolarHBondContact O-N 2.86Å; L160-A165 HydrophobicContact CD1-CB 3.97Å; L160-A165 HydrophobicContact CG-CB 4.43Å
161	F	92.5	Very high	96.2	Very high	153 Å²	153	49.2 Å²	49.2	67%	0.671	27%	0.266	S	S	*	.	S	Bend	trans	-106.4	-11.5	177.2	-63.4	-82.7	0	0	0	113.1	R159	R159-F161 HydrophobicContact CG-CZ 4.38Å
162	Q	90.7	Very high	96	Very high	165 Å²	165	46.3 Å²	46.3	77%	0.771	25%	0.253	S	S	*	.	S	Bend	trans	-148.6	158.4	-178.9	63.6	-179.5	5.2	0	0	110.1
163	G	93.5	Very high	95.7	Very high	43 Å²	43	46.9 Å²	46.9	44%	0.443	25%	0.252	S	S	.	.	S	Bend	trans	74	-170.7	-177.1	0	0	0	0	0	113.1	R125	R125-G163 VanDerWaalsContact CD-O 3.3Å; R125-G163 WeakPolarHBondContact CD-O 3.24Å; R125-G163 PolarHBondContact NH1-O 2.71Å
164	N	94.7	Very high	95.3	Very high	145 Å²	145	49.1 Å²	49.1	78%	0.775	27%	0.271	S	S	*	.			trans	-92.7	139.5	176.8	-66	-4.9	0	0	0	109.3
165	A	96.9	Very high	94.8	Very high	14 Å²	14	52.7 Å²	52.7	12%	0.116	29%	0.287	C	S	.	.			trans	-108.5	173.2	171.9	0	0	0	0	0	109.4	T123 R125 L160 I167 M168	T123-A165 WeakPolarHBondContact OG1-CA 3.4Å; R125-A165 HydrophobicContact CB-CB 3.76Å; L160-A165 HydrophobicContact CD1-CB 3.97Å; L160-A165 HydrophobicContact CG-CB 4.43Å; A165-I167 VanDerWaalsContact C-N 3.32Å; A165-M168 HydrophobicContact CB-SD 3.92Å; A165-M168 PolarHBondContact N-SD 2.92Å
166	D	97.2	Very high	94.3	Very high	42 Å²	42	54.4 Å²	54.4	23%	0.225	30%	0.295	C	S	.	.	S	Bend	trans	-70.2	-32	175.5	-54.1	-63.6	0	0	0	111.7	W117 H119 V122 T123	W117-D166 HydrophobicContact CH2-CB 3.88Å; W117-D166 WeakPolarHBondContact CH2-O 3.45Å; W117-D166 HydrophobicContact CZ2-CB 3.99Å; W117-D166 WeakPolarHBondContact CZ2-O 3.43Å; W117-D166 HydrophobicContact CZ3-CB 4.22Å; H119-D166 IonicContact CE1-OD1 2.77Å; H119-D166 IonicContact NE2-OD1 3.46Å; H119-D166 IonicContact NE2-OD2 3.3Å; H119-D166 PolarHBondContact NE2-OD2 2.92Å; V122-D166 HydrophobicContact CG1-CB 3.86Å; T123-D166 WeakPolarHBondContact CA-OD2 3.46Å; T123-D166 WeakPolarHBondContact CB-OD2 3.17Å; T123-D166 PolarHBondContact N-OD2 2.93Å; T123-D166 WeakPolarHBondContact O-CB 3.47Å; T123-D166 PolarHBondContact O-N 2.85Å; T123-D166 VanDerWaalsContact O-N 3.08Å; T123-D166 PolarHBondContact OG1-N 3.04Å; T123-D166 PolarHBondContact OG1-OD2 3.19Å
167	I	98.2	Very high	93.6	Very high	0 Å²	0	54.5 Å²	54.5	0%	0	31%	0.31	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-124.2	109.7	176.7	-58.2	175	0	0	0	108.7	W117 V122 T123 Y124 R125 F146 A165 I169 G201 A406	W117-I167 HydrophobicContact CZ2-CG1 4.43Å; V122-I167 HydrophobicContact CG1-CD1 3.83Å; V122-I167 HydrophobicContact CG1-CG1 4.1Å; T123-I167 PolarHBondContact O-N 3.25Å; Y124-I167 CarbonylContact C-O 3.43Å; Y124-I167 WeakPolarHBondContact CA-O 3.36Å; R125-I167 PolarHBondContact N-O 2.86Å; F146-I167 HydrophobicContact CE1-CD1 3.73Å; F146-I167 HydrophobicContact CZ-CD1 4.03Å; F146-I167 HydrophobicContact CZ-CG2 4.32Å; A165-I167 VanDerWaalsContact C-N 3.32Å; I167-I169 HydrophobicContact CG2-CG1 3.93Å; I167-G201 VanDerWaalsContact CG2-O 3.23Å; I167-G201 WeakPolarHBondContact CG2-O 3.33Å; I167-A406 HydrophobicContact CD1-CB 3.82Å; I167-A406 HydrophobicContact CG1-CB 4.19Å; I167-A406 HydrophobicContact CG2-CB 4.48Å
168	M	97.9	Very high	92.8	Very high	19 Å²	19	53.4 Å²	53.4	9%	0.094	31%	0.306	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-91.9	123.6	170.5	-49.3	-67.8	-70	0	0	109.3	R125 L127 A165 D202 A203	R125-M168 HydrophobicContact CB-CE 4.31Å; R125-M168 HydrophobicContact CB-SD 4Å; R125-M168 HydrophobicContact CG-CE 4.34Å; L127-M168 HydrophobicContact CD1-CB 4.08Å; L127-M168 HydrophobicContact CD1-CE 4.04Å; L127-M168 HydrophobicContact CD2-CE 3.4Å; L127-M168 HydrophobicContact CG-CB 4.48Å; L127-M168 HydrophobicContact CG-CE 3.9Å; A165-M168 HydrophobicContact CB-SD 3.92Å; A165-M168 PolarHBondContact N-SD 2.92Å; M168-D202 WeakPolarHBondContact CA-OD1 3.4Å; M168-D202 HydrophobicContact CB-CB 4.46Å; M168-D202 WeakPolarHBondContact CB-OD1 3.43Å; M168-D202 VanDerWaalsContact CG-OD1 3.24Å; M168-D202 WeakPolarHBondContact CG-OD1 3.39Å; M168-D202 PolarHBondContact N-OD1 2.97Å; M168-D202 WeakPolarHBondContact O-CA 3.23Å; M168-D202 WeakPolarHBondContact O-CB 3.32Å; M168-A203 PolarHBondContact O-N 3.04Å
169	I	98.4	Very high	91.7	Very high	0 Å²	0	55.8 Å²	55.8	0%	0	32%	0.322	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-106.2	125.8	-176.7	-59.1	165.5	0	0	0	108.9	Y124 R125 I126 L127 F142 F146 I167 A203 F205 F403	Y124-I169 HydrophobicContact CD2-CD1 3.77Å; Y124-I169 HydrophobicContact CG-CD1 4.47Å; R125-I169 PolarHBondContact O-N 3.47Å; I126-I169 HydrophobicContact CG1-CB 4.43Å; I126-I169 HydrophobicContact CG1-CD1 4.28Å; L127-I169 WeakPolarHBondContact CB-O 3.26Å; L127-I169 PolarHBondContact N-O 3.14Å; F142-I169 HydrophobicContact CD2-CD1 4.4Å; F142-I169 HydrophobicContact CD2-CG2 4.31Å; F142-I169 HydrophobicContact CE1-CG2 4.19Å; F142-I169 HydrophobicContact CE2-CG2 3.61Å; F142-I169 HydrophobicContact CG-CD1 4.43Å; F142-I169 HydrophobicContact CZ-CG2 3.55Å; F146-I169 HydrophobicContact CE2-CD1 4Å; F146-I169 HydrophobicContact CZ-CD1 4.21Å; I167-I169 HydrophobicContact CG2-CG1 3.93Å; I169-A203 WeakPolarHBondContact CA-O 3.27Å; I169-F205 HydrophobicContact CG2-CD2 4.07Å; I169-F205 HydrophobicContact CG2-CE2 3.7Å; I169-F403 HydrophobicContact CD1-CE1 3.75Å; I169-F403 HydrophobicContact CD1-CZ 3.57Å; I169-F403 HydrophobicContact CG1-CE1 4.01Å; I169-F403 HydrophobicContact CG1-CZ 4.31Å
170	S	96.6	Very high	90.8	Very high	18 Å²	18	56 Å²	56	13%	0.126	32%	0.324	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-141.6	157.2	178.2	70.8	0	0	0	0	113.4	N128 A203 H204 F205	N128-S170 WeakPolarHBondContact OD1-CA 3.4Å; N128-S170 WeakPolarHBondContact OD1-CB 3Å; S170-A203 PolarHBondContact N-O 3.41Å; S170-H204 CarbonylContact O-C 3.6Å; S170-H204 WeakPolarHBondContact O-CA 3.45Å; S170-H204 PolarHBondContact OG-CD2 3.31Å; S170-F205 PolarHBondContact O-N 3.47Å
171	F	95.3	Very high	90.3	Very high	6 Å²	6	56.2 Å²	56.2	3%	0.026	33%	0.329	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-104.4	136	168.5	-67.7	-94.1	0	0	0	108.7	N128 I138 F142 F205 D207 W211 L395	N128-F171 PolarHBondContact ND2-O 3.02Å; N128-F171 PolarHBondContact OD1-N 2.88Å; I138-F171 HydrophobicContact CG2-CE2 4.29Å; I138-F171 HydrophobicContact CG2-CZ 4.39Å; F142-F171 HydrophobicContact CE2-CE2 4.12Å; F142-F171 HydrophobicContact CE2-CZ 4.36Å; F142-F171 AromaticContact CZ-CE2 3.86Å; F142-F171 HydrophobicContact CZ-CE2 3.86Å; F142-F171 AromaticContact CZ-CZ 3.74Å; F142-F171 HydrophobicContact CZ-CZ 3.74Å; F171-F205 CarbonylContact C-O 3.6Å; F171-F205 WeakPolarHBondContact CA-O 2.98Å; F171-F205 HydrophobicContact CD1-CB 3.56Å; F171-F205 HydrophobicContact CD1-CG 4.48Å; F171-F205 HydrophobicContact CE1-CB 3.65Å; F171-F205 HydrophobicContact CE1-CG 4.17Å; F171-F205 HydrophobicContact CG-CB 4.27Å; F171-F205 HydrophobicContact CZ-CB 4.42Å; F171-D207 HydrophobicContact CB-CB 4.04Å; F171-W211 AromaticContact CD1-NE1 3.78Å; F171-W211 AromaticContact CE1-CD1 3.84Å; F171-W211 HydrophobicContact CE1-CD2 4.33Å; F171-W211 HydrophobicContact CE1-CG 4.2Å; F171-W211 AromaticContact CE1-NE1 3.71Å; F171-L395 HydrophobicContact CE1-CD1 4.06Å; F171-L395 HydrophobicContact CZ-CD1 3.93Å; F171-L395 HydrophobicContact CZ-CD2 4.11Å
172	G	91.6	Very high	90.1	Very high	9 Å²	9	49.5 Å²	49.5	9%	0.093	30%	0.299	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-152.9	159.4	-177.6	0	0	0	0	0	112.1	F182 F205 D206 D207	G172-F182 WeakPolarHBondContact O-CD2 3.06Å; G172-F205 PolarHBondContact N-O 3.04Å; G172-D206 WeakPolarHBondContact O-CA 3.3Å; G172-D207 PolarHBondContact O-N 3.42Å
173	K	88.5	Confident	89.9	Confident	41 Å²	41	45.2 Å²	45.2	18%	0.178	28%	0.281	C	S	.	.			trans	-117.4	144.9	-179.8	-62.6	-177.7	172.1	-174.3	0	110.1	D175 D207 D208 E343	K173-D175 CarbonylContact O-C 3.48Å; K173-D175 VanDerWaalsContact O-C 3.25Å; K173-D175 PolarHBondContact O-N 3.25Å; K173-D207 VanDerWaalsContact CE-O 3.3Å; K173-D207 WeakPolarHBondContact CE-O 3.26Å; K173-D207 HydrophobicContact CG-CB 3.89Å; K173-D208 VanDerWaalsContact CD-OD1 3.3Å; K173-D208 WeakPolarHBondContact CD-OD1 2.99Å; K173-D208 WeakPolarHBondContact CE-OD1 3.42Å; K173-D208 IonicContact NZ-OD1 3.34Å; K173-E343 IonicContact NZ-OE1 3.88Å; K173-E343 PolarHBondContact NZ-OE1 3.41Å; K173-E343 IonicContact NZ-OE2 2.92Å; K173-E343 PolarHBondContact NZ-OE2 2.74Å
174	A	86.9	Confident	89.5	Confident	47 Å²	47	43.7 Å²	43.7	39%	0.388	27%	0.265	S	S	.	.	S	Bend	trans	38.8	-114.6	176.9	0	0	0	0	0	112.2	H176 P181 F182	A174-H176 PolarHBondContact O-N 2.86Å; A174-H176 PolarHBondContact O-ND1 2.92Å; A174-P181 CarbonylContact O-C 3.59Å; A174-P181 WeakPolarHBondContact O-CA 3.2Å; A174-P181 WeakPolarHBondContact O-CB 3.28Å; A174-F182 PolarHBondContact O-N 2.89Å
175	D	86.8	Confident	89.1	Confident	125 Å²	125	37.8 Å²	37.8	67%	0.668	23%	0.233	S	C	*	.	S	Bend	trans	-76.9	110	168.8	-176.6	-1.4	0	0	0	111	K173 G177	K173-D175 CarbonylContact O-C 3.48Å; K173-D175 VanDerWaalsContact O-C 3.25Å; K173-D175 PolarHBondContact O-N 3.25Å; D175-G177 PolarHBondContact OD1-N 2.9Å
176	H	87.1	Confident	88.6	Confident	39 Å²	39	38.6 Å²	38.6	18%	0.181	24%	0.235	C	C	.	.			trans	-118.9	26.4	-175.3	54.8	-82.9	0	0	0	112.5	A174 D178 Y180 F182 H191 H204	A174-H176 PolarHBondContact O-N 2.86Å; A174-H176 PolarHBondContact O-ND1 2.92Å; H176-D178 IonicContact CE1-OD1 2.67Å; H176-D178 IonicContact NE2-OD1 2.66Å; H176-D178 IonicContact NE2-OD2 3.9Å; H176-D178 PolarHBondContact NE2-OD2 2.94Å; H176-Y180 PolarHBondContact CE1-O 3.23Å; H176-Y180 VanDerWaalsContact CE1-O 3.29Å; H176-F182 AromaticContact CE1-CD2 3.39Å; H176-F182 WeakPolarHBondContact CE1-CD2 3.34Å; H176-F182 AromaticContact CE1-CE2 3.3Å; H176-F182 WeakPolarHBondContact CE1-CE2 3.16Å; H176-F182 AromaticContact CE1-CZ 3.85Å; H176-F182 AromaticContact ND1-CD2 3.41Å; H176-F182 WeakPolarHBondContact ND1-CD2 3.32Å; H176-F182 AromaticContact ND1-CE2 3.63Å; H176-F182 AromaticContact NE2-CE2 3.66Å; H176-H191 AromaticContact CE1-CE1 3.6Å; H176-H191 AromaticContact NE2-CE1 3.33Å; H176-H191 PolarHBondContact NE2-CE1 2.9Å; H176-H191 VanDerWaalsContact NE2-CE1 3.33Å; H176-H191 AromaticContact NE2-NE2 3.34Å; H176-H191 PolarHBondContact NE2-NE2 2.91Å; H176-H204 AromaticContact CD2-CG 3.91Å; H176-H204 AromaticContact CD2-ND1 3.41Å; H176-H204 PolarHBondContact CD2-ND1 3.19Å; H176-H204 AromaticContact NE2-CG 3.89Å; H176-H204 AromaticContact NE2-ND1 3.31Å; H176-H204 PolarHBondContact NE2-ND1 2.8Å
177	G	81.4	Confident	88.3	Confident	73 Å²	73	37.5 Å²	37.5	75%	0.753	23%	0.234	S	C	*	.	S	Bend	trans	94.9	11.4	171.7	0	0	0	0	0	115.2	D175	D175-G177 PolarHBondContact OD1-N 2.9Å
178	D	82.4	Confident	88	Confident	13 Å²	13	37.7 Å²	37.7	7%	0.07	24%	0.235	C	C	.	.	S	Bend	trans	-131.6	170	171.8	83.6	18.3	0	0	0	112.1	H176 Y180 H191 Y193 I199 H204	H176-D178 IonicContact CE1-OD1 2.67Å; H176-D178 IonicContact NE2-OD1 2.66Å; H176-D178 IonicContact NE2-OD2 3.9Å; H176-D178 PolarHBondContact NE2-OD2 2.94Å; D178-Y180 PolarHBondContact O-N 2.86Å; D178-Y180 VanDerWaalsContact O-N 3.13Å; D178-Y180 WeakPolarHBondContact OD1-CA 3.39Å; D178-Y180 PolarHBondContact OD1-N 2.92Å; D178-H191 IonicContact OD1-CE1 3.18Å; D178-H191 IonicContact OD1-NE2 2.9Å; D178-H191 IonicContact OD2-CE1 3.41Å; D178-H191 PolarHBondContact OD2-CE1 2.95Å; D178-H191 IonicContact OD2-NE2 3.87Å; D178-H191 PolarHBondContact OD2-NE2 3.45Å; D178-Y193 VanDerWaalsContact CB-OH 3.29Å; D178-Y193 WeakPolarHBondContact CB-OH 3.38Å; D178-Y193 WeakPolarHBondContact OD2-CE2 2.96Å; D178-Y193 PolarHBondContact OD2-OH 3.26Å; D178-I199 HydrophobicContact CB-CD1 3.88Å; D178-H204 IonicContact OD2-CE1 3.3Å; D178-H204 PolarHBondContact OD2-CE1 3.06Å; D178-H204 VanDerWaalsContact OD2-CE1 3.29Å; D178-H204 IonicContact OD2-ND1 2.97Å; D178-H204 PolarHBondContact OD2-ND1 2.81Å
179	P	73.8	Confident	87.9	Confident	106 Å²	106	37 Å²	37	69%	0.688	23%	0.231	S	C	*	.	S	Bend	trans	-69.9	-0.7	-176.8	-21.1	34.5	0	0	0	116.1	P181	P179-P181 VanDerWaalsContact O-CD 3.31Å; P179-P181 WeakPolarHBondContact O-CD 3.35Å
180	Y	80.3	Confident	87.9	Confident	64 Å²	64	37 Å²	37	25%	0.251	23%	0.231	S	C	.	.	S	Bend	trans	-120.6	75	-169	-60.5	-76.6	0	0	0	111.6	Y108 H176 D178 H191 Y193	Y108-Y180 WeakPolarHBondContact CD1-OH 3.29Å; Y108-Y180 AromaticContact CE1-CE1 3.75Å; Y108-Y180 HydrophobicContact CE1-CE1 3.75Å; Y108-Y180 AromaticContact CE1-CE2 3.8Å; Y108-Y180 HydrophobicContact CE1-CE2 3.8Å; Y108-Y180 AromaticContact CE1-CZ 3.28Å; Y108-Y180 WeakPolarHBondContact CE1-OH 3.47Å; H176-Y180 PolarHBondContact CE1-O 3.23Å; H176-Y180 VanDerWaalsContact CE1-O 3.29Å; D178-Y180 PolarHBondContact O-N 2.86Å; D178-Y180 VanDerWaalsContact O-N 3.13Å; D178-Y180 WeakPolarHBondContact OD1-CA 3.39Å; D178-Y180 PolarHBondContact OD1-N 2.92Å; Y180-H191 PolarHBondContact O-CE1 2.88Å; Y180-Y193 HydrophobicContact CD2-CE1 4.33Å; Y180-Y193 WeakPolarHBondContact CD2-OH 3.29Å; Y180-Y193 HydrophobicContact CE2-CE1 4.2Å
181	P	85.4	Confident	87.8	Confident	59 Å²	59	36.3 Å²	36.3	38%	0.383	23%	0.226	S	C	.	.			trans	-67.5	144.1	-174.5	28.5	-36.4	0	0	0	113.1	R50 A174 P179	R50-P181 PolarHBondContact NH1-O 3.36Å; R50-P181 PolarHBondContact NH2-O 2.86Å; A174-P181 CarbonylContact O-C 3.59Å; A174-P181 WeakPolarHBondContact O-CA 3.2Å; A174-P181 WeakPolarHBondContact O-CB 3.28Å; P179-P181 VanDerWaalsContact O-CD 3.31Å; P179-P181 WeakPolarHBondContact O-CD 3.35Å
182	F	89	Confident	87.6	Confident	12 Å²	12	36.3 Å²	36.3	5%	0.053	23%	0.228	C	C	.	.			trans	-69.6	168.2	170.4	-68.7	-54.5	0	0	0	112.8	G172 A174 H176 L188 H204 D206	G172-F182 WeakPolarHBondContact O-CD2 3.06Å; A174-F182 PolarHBondContact O-N 2.89Å; H176-F182 AromaticContact CE1-CD2 3.39Å; H176-F182 WeakPolarHBondContact CE1-CD2 3.34Å; H176-F182 AromaticContact CE1-CE2 3.3Å; H176-F182 WeakPolarHBondContact CE1-CE2 3.16Å; H176-F182 AromaticContact CE1-CZ 3.85Å; H176-F182 AromaticContact ND1-CD2 3.41Å; H176-F182 WeakPolarHBondContact ND1-CD2 3.32Å; H176-F182 AromaticContact ND1-CE2 3.63Å; H176-F182 AromaticContact NE2-CE2 3.66Å; F182-L188 HydrophobicContact CD1-CB 4.05Å; F182-H204 HydrophobicContact CE2-CB 4.3Å; F182-H204 HydrophobicContact CZ-CB 4.06Å; F182-D206 HydrophobicContact CB-CB 4.21Å; F182-D206 VanDerWaalsContact CB-OD2 3.3Å; F182-D206 WeakPolarHBondContact CB-OD2 3.48Å; F182-D206 HydrophobicContact CD1-CB 3.77Å; F182-D206 HydrophobicContact CD2-CB 3.81Å; F182-D206 HydrophobicContact CE1-CB 4.08Å; F182-D206 HydrophobicContact CE2-CB 4.1Å; F182-D206 HydrophobicContact CG-CB 3.67Å; F182-D206 HydrophobicContact CZ-CB 4.24Å
183	D	85.2	Confident	87.3	Confident	75 Å²	75	36.3 Å²	36.3	40%	0.401	23%	0.225	S	C	.	.			trans	-114.6	5.6	-174.4	58.4	-17.8	0	0	0	115.3	L188	D183-L188 WeakPolarHBondContact OD1-CB 3.23Å; D183-L188 WeakPolarHBondContact OD1-CG 3.31Å; D183-L188 PolarHBondContact OD1-N 3.1Å
184	G	85.6	Confident	87	Confident	10 Å²	10	35.7 Å²	35.7	10%	0.103	23%	0.225	C	C	.	.	S	Bend	trans	92.7	-160.6	179.1	0	0	0	0	0	111.2	D186	G184-D186 PolarHBondContact O-N 3.19Å
185	K	85.8	Confident	87	Confident	22 Å²	22	33.7 Å²	33.7	10%	0.096	21%	0.208	C	C	.	.	S	Bend	trans	-59.9	133.1	-176.4	-174.6	-178.5	173.6	64.3	0	113.9	T338 K370 F387 D390	K185-T338 PolarHBondContact NZ-OG1 3.24Å; K185-K370 PolarHBondContact O-NZ 3.37Å; K185-F387 HydrophobicContact CB-CD2 4.3Å; K185-F387 HydrophobicContact CB-CE2 4.35Å; K185-F387 HydrophobicContact CD-CB 3.69Å; K185-F387 HydrophobicContact CD-CD1 4.45Å; K185-F387 HydrophobicContact CD-CD2 3.39Å; K185-F387 HydrophobicContact CD-CE2 4.11Å; K185-F387 HydrophobicContact CD-CG 3.59Å; K185-F387 HydrophobicContact CG-CD2 4.44Å; K185-D390 VanDerWaalsContact CE-OD2 3.31Å; K185-D390 WeakPolarHBondContact CE-OD2 3.17Å; K185-D390 IonicContact NZ-OD1 3.29Å; K185-D390 IonicContact NZ-OD2 2.8Å; K185-D390 PolarHBondContact NZ-OD2 2.8Å
186	D	88	Confident	86.8	Confident	31 Å²	31	29.1 Å²	29.1	17%	0.166	19%	0.191	C	C	.	.	S	Bend	trans	59.8	-176.8	-168.9	-49.7	-44.2	0	0	0	112.5	P98 G184 L188 E209 K370 Y393	P98-D186 HydrophobicContact CG-CB 4.45Å; G184-D186 PolarHBondContact O-N 3.19Å; D186-L188 PolarHBondContact O-N 3.46Å; D186-E209 WeakPolarHBondContact CA-OE1 3.25Å; D186-E209 PolarHBondContact N-OE1 2.97Å; D186-E209 PolarHBondContact N-OE2 3.11Å; D186-K370 WeakPolarHBondContact OD2-CE 3.45Å; D186-K370 IonicContact OD2-NZ 2.82Å; D186-K370 PolarHBondContact OD2-NZ 3.38Å; D186-Y393 PolarHBondContact OD1-OH 3Å
187	G	90	Very high	86.7	Confident	19 Å²	19	35.7 Å²	35.7	20%	0.196	22%	0.221	C	C	.	.	S	Bend	trans	82.8	-100.8	-178.8	0	0	0	0	0	110	P98 R99	P98-G187 CarbonylContact C-O 3.55Å; P98-G187 VanDerWaalsContact CA-O 3.27Å; P98-G187 WeakPolarHBondContact CA-O 3.42Å; R99-G187 PolarHBondContact N-O 2.8Å
188	L	91.9	Very high	87	Confident	3 Å²	3	35.6 Å²	35.6	2%	0.016	22%	0.22	C	C	.	.	B	Isolated β-bridge	trans	-94.3	118.2	179.7	-60.9	-168.6	0	0	0	113	R50 F51 R99 F182 D183 D186 D206	R50-L188 VanDerWaalsContact NH1-CD1 3.32Å; F51-L188 HydrophobicContact CE1-CD2 4.24Å; F51-L188 HydrophobicContact CZ-CD2 3.77Å; R99-L188 HydrophobicContact CG-CD2 4.15Å; R99-L188 WeakPolarHBondContact O-CA 2.95Å; F182-L188 HydrophobicContact CD1-CB 4.05Å; D183-L188 WeakPolarHBondContact OD1-CB 3.23Å; D183-L188 WeakPolarHBondContact OD1-CG 3.31Å; D183-L188 PolarHBondContact OD1-N 3.1Å; D186-L188 PolarHBondContact O-N 3.46Å; L188-D206 WeakPolarHBondContact O-CB 3.41Å
189	L	97	Very high	87.1	Confident	4 Å²	4	38 Å²	38	2%	0.021	23%	0.232	C	C	.	.			trans	-84.8	-39.9	-177.4	-55.9	-173.6	0	0	0	113.2	P98 R99 D206 E209 W211 Y393 V398 Y423	P98-L189 HydrophobicContact CB-CD1 4.22Å; P98-L189 HydrophobicContact CB-CD2 3.91Å; P98-L189 HydrophobicContact CB-CG 4.18Å; R99-L189 PolarHBondContact O-N 2.92Å; L189-D206 PolarHBondContact O-N 2.56Å; L189-E209 HydrophobicContact CD2-CG 4.06Å; L189-E209 WeakPolarHBondContact CD2-OE1 3.35Å; L189-W211 HydrophobicContact CB-CH2 4.28Å; L189-W211 WeakPolarHBondContact O-CH2 3.48Å; L189-W211 VanDerWaalsContact O-CZ2 3.28Å; L189-W211 WeakPolarHBondContact O-CZ2 3.47Å; L189-Y393 HydrophobicContact CD1-CD1 3.49Å; L189-Y393 VanDerWaalsContact CD1-CD1 3.49Å; L189-Y393 HydrophobicContact CD1-CE1 3.92Å; L189-Y393 HydrophobicContact CD1-CG 3.95Å; L189-Y393 HydrophobicContact CD2-CD1 3.7Å; L189-Y393 HydrophobicContact CD2-CD2 3.66Å; L189-Y393 HydrophobicContact CD2-CE1 3.67Å; L189-Y393 HydrophobicContact CD2-CE2 3.63Å; L189-Y393 HydrophobicContact CD2-CG 3.7Å; L189-Y393 HydrophobicContact CG-CD1 4.26Å; L189-Y393 HydrophobicContact CG-CE1 4.44Å; L189-Y393 HydrophobicContact CG-CG 4.46Å; L189-V398 HydrophobicContact CB-CG1 4.16Å; L189-V398 HydrophobicContact CB-CG2 4.44Å; L189-V398 HydrophobicContact CD1-CG2 3.87Å; L189-Y423 HydrophobicContact CD1-CD1 4.5Å; L189-Y423 HydrophobicContact CD1-CD2 3.91Å; L189-Y423 HydrophobicContact CD1-CG 3.73Å
190	A	97.8	Very high	87.6	Confident	0 Å²	0	34.6 Å²	34.6	0%	0	21%	0.207	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-169	168.8	-173.1	0	0	0	0	0	109.9	G101 H204 F205 V398 E402	G101-A190 WeakPolarHBondContact CA-O 2.96Å; G101-A190 PolarHBondContact N-O 3.33Å; A190-H204 CarbonylContact C-O 3.59Å; A190-H204 WeakPolarHBondContact CA-O 3.47Å; A190-H204 WeakPolarHBondContact CB-O 3.48Å; A190-F205 HydrophobicContact CB-CD1 3.85Å; A190-F205 HydrophobicContact CB-CE1 4.26Å; A190-F205 HydrophobicContact CB-CG 4.26Å; A190-V398 HydrophobicContact CB-CG1 3.6Å; A190-E402 HydrophobicContact CB-CG 3.53Å
191	H	94.5	Very high	87.9	Confident	4 Å²	4	31.6 Å²	31.6	2%	0.019	20%	0.195	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-146.3	160.1	161.9	60.7	-138.5	0	0	0	110.8	V102 H176 D178 Y180 H204 E402	V102-H191 HydrophobicContact CG2-CB 4.04Å; H176-H191 AromaticContact CE1-CE1 3.6Å; H176-H191 AromaticContact NE2-CE1 3.33Å; H176-H191 PolarHBondContact NE2-CE1 2.9Å; H176-H191 VanDerWaalsContact NE2-CE1 3.33Å; H176-H191 AromaticContact NE2-NE2 3.34Å; H176-H191 PolarHBondContact NE2-NE2 2.91Å; D178-H191 IonicContact OD1-CE1 3.18Å; D178-H191 IonicContact OD1-NE2 2.9Å; D178-H191 IonicContact OD2-CE1 3.41Å; D178-H191 PolarHBondContact OD2-CE1 2.95Å; D178-H191 IonicContact OD2-NE2 3.87Å; D178-H191 PolarHBondContact OD2-NE2 3.45Å; Y180-H191 PolarHBondContact O-CE1 2.88Å; H191-H204 AromaticContact CD2-ND1 3.88Å; H191-H204 PolarHBondContact N-O 2.97Å; H191-H204 AromaticContact NE2-CG 3.81Å; H191-H204 AromaticContact NE2-ND1 3.25Å; H191-H204 PolarHBondContact NE2-ND1 2.84Å; H191-H204 PolarHBondContact O-N 3.3Å; H191-E402 WeakPolarHBondContact CA-OE2 3.15Å
192	A	91.4	Very high	88.4	Confident	7 Å²	7	29.7 Å²	29.7	6%	0.058	18%	0.182	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-137.4	153.3	169	0	0	0	0	0	112.2	D202 A203 E402 H405 A406	A192-D202 CarbonylContact C-O 3.54Å; A192-D202 WeakPolarHBondContact CA-O 3.48Å; A192-D202 WeakPolarHBondContact CB-O 3.38Å; A192-A203 HydrophobicContact CB-CB 3.91Å; A192-E402 HydrophobicContact CB-CB 3.97Å; A192-E402 VanDerWaalsContact CB-O 3.25Å; A192-E402 WeakPolarHBondContact CB-O 3.46Å; A192-E402 PolarHBondContact N-OE2 3.3Å; A192-H405 HydrophobicContact CB-CB 3.98Å; A192-A406 HydrophobicContact CB-CB 4.46Å
193	Y	84.9	Confident	88.8	Confident	9 Å²	9	29.1 Å²	29.1	4%	0.035	18%	0.18	C	C	.	.	P	Polyproline II helix	trans	-90	148.2	175.5	-68	-92.1	0	0	0	110.8	F111 D178 Y180 I199 G201 D202 A406	F111-Y193 HydrophobicContact CE1-CD1 4.06Å; F111-Y193 HydrophobicContact CE1-CE1 4.43Å; F111-Y193 HydrophobicContact CE2-CD1 4.27Å; F111-Y193 AromaticContact CZ-CD1 3.54Å; F111-Y193 HydrophobicContact CZ-CD1 3.54Å; F111-Y193 AromaticContact CZ-CE1 3.79Å; F111-Y193 HydrophobicContact CZ-CE1 3.79Å; D178-Y193 VanDerWaalsContact CB-OH 3.29Å; D178-Y193 WeakPolarHBondContact CB-OH 3.38Å; D178-Y193 WeakPolarHBondContact OD2-CE2 2.96Å; D178-Y193 PolarHBondContact OD2-OH 3.26Å; Y180-Y193 HydrophobicContact CD2-CE1 4.33Å; Y180-Y193 WeakPolarHBondContact CD2-OH 3.29Å; Y180-Y193 HydrophobicContact CE2-CE1 4.2Å; Y193-I199 WeakPolarHBondContact CB-O 3.33Å; Y193-I199 HydrophobicContact CD1-CG2 4.34Å; Y193-I199 HydrophobicContact CD2-CD1 4.41Å; Y193-I199 HydrophobicContact CD2-CG1 3.96Å; Y193-I199 WeakPolarHBondContact CD2-O 3.45Å; Y193-I199 HydrophobicContact CE1-CG2 4.36Å; Y193-I199 HydrophobicContact CE2-CD1 3.74Å; Y193-I199 HydrophobicContact CE2-CG1 3.8Å; Y193-G201 WeakPolarHBondContact O-CA 3.47Å; Y193-G201 PolarHBondContact O-N 3.15Å; Y193-D202 HydrophobicContact CD2-CB 4.37Å; Y193-D202 PolarHBondContact N-O 3.14Å; Y193-A406 WeakPolarHBondContact O-CA 3.01Å
194	P	82.2	Confident	89.4	Confident	27 Å²	27	26.1 Å²	26.1	18%	0.175	16%	0.163	C	C	.	.	P	Polyproline II helix	trans	-64.8	164.2	174.1	30.3	-36.5	0	0	0	111.8	F111 L115 Q200 G201	F111-P194 HydrophobicContact CB-CG 4.46Å; F111-P194 HydrophobicContact CD2-CG 3.97Å; F111-P194 HydrophobicContact CE2-CG 4.5Å; F111-P194 HydrophobicContact CG-CG 4.2Å; L115-P194 HydrophobicContact CD2-CB 3.64Å; L115-P194 HydrophobicContact CD2-CG 3.99Å; P194-Q200 CarbonylContact O-C 3.6Å; P194-Q200 VanDerWaalsContact O-C 3.29Å; P194-Q200 VanDerWaalsContact O-CA 3.29Å; P194-Q200 WeakPolarHBondContact O-CA 3.19Å; P194-Q200 WeakPolarHBondContact O-CB 3.35Å; P194-G201 PolarHBondContact O-N 3.07Å
195	P	86.7	Confident	90	Very high	6 Å²	6	25.7 Å²	25.7	4%	0.039	16%	0.158	C	C	.	.	S	Bend	trans	-51.9	141	176.8	-28.1	33.3	0	0	0	114.6	W117 A406	W117-P195 HydrophobicContact CD2-CB 3.72Å; W117-P195 HydrophobicContact CD2-CG 4.43Å; W117-P195 HydrophobicContact CE3-CB 4.17Å; W117-P195 HydrophobicContact CG-CB 4.03Å; W117-P195 HydrophobicContact CG-CG 4.37Å; W117-P195 HydrophobicContact CH2-CB 4.48Å; W117-P195 HydrophobicContact CZ2-CB 4.05Å; P195-A406 WeakPolarHBondContact CG-O 3.3Å
196	G	83.4	Confident	90.5	Very high	29 Å²	29	24.6 Å²	24.6	30%	0.299	15%	0.154	S	C	.	.	S	Bend	trans	158.7	-164.5	174.7	0	0	0	0	0	114.2	W117 Q200	W117-G196 VanDerWaalsContact CH2-O 3.3Å; W117-G196 WeakPolarHBondContact CH2-O 3.43Å; W117-G196 WeakPolarHBondContact CZ3-O 3.47Å; G196-Q200 VanDerWaalsContact C-CB 3.4Å; G196-Q200 VanDerWaalsContact CA-CB 3.43Å
197	E	83.4	Confident	90.7	Very high	176 Å²	176	23.3 Å²	23.3	82%	0.822	15%	0.147	S	C	*	.	S	Bend	trans	-84.5	148.6	178.3	-65	-171.2	168.9	0	0	112.8	Q200	E197-Q200 VanDerWaalsContact N-NE2 3.18Å; E197-Q200 PolarHBondContact O-NE2 3.25Å
198	G	87.4	Confident	90.7	Very high	71 Å²	71	23.7 Å²	23.7	73%	0.732	15%	0.145	S	C	*	.	T	Hydrogen-bonded Turn	trans	83	-118.7	171.5	0	0	0	0	0	112.1
199	I	84.5	Confident	90.7	Very high	64 Å²	64	23.6 Å²	23.6	33%	0.328	14%	0.144	S	C	.	.	T	Hydrogen-bonded Turn	trans	-78.7	-9.9	177.1	-160.6	170.7	0	0	0	112.4	D178 Y193 G201 D202	D178-I199 HydrophobicContact CB-CD1 3.88Å; Y193-I199 WeakPolarHBondContact CB-O 3.33Å; Y193-I199 HydrophobicContact CD1-CG2 4.34Å; Y193-I199 HydrophobicContact CD2-CD1 4.41Å; Y193-I199 HydrophobicContact CD2-CG1 3.96Å; Y193-I199 WeakPolarHBondContact CD2-O 3.45Å; Y193-I199 HydrophobicContact CE1-CG2 4.36Å; Y193-I199 HydrophobicContact CE2-CD1 3.74Å; Y193-I199 HydrophobicContact CE2-CG1 3.8Å; I199-G201 PolarHBondContact O-N 3.24Å; I199-D202 HydrophobicContact CG1-CB 4.18Å; I199-D202 VanDerWaalsContact O-CB 3.26Å; I199-D202 WeakPolarHBondContact O-CB 3.41Å; I199-D202 PolarHBondContact O-N 3.17Å; I199-D202 VanDerWaalsContact O-N 3.1Å
200	Q	85.4	Confident	90.5	Very high	35 Å²	35	24 Å²	24	16%	0.164	15%	0.146	C	C	.	.	T	Hydrogen-bonded Turn	trans	-68.1	129.2	178.2	-75.4	179.2	110.6	0	0	109.8	F111 P194 G196 E197	F111-Q200 HydrophobicContact CD1-CG 4.01Å; F111-Q200 HydrophobicContact CE1-CG 4.33Å; P194-Q200 CarbonylContact O-C 3.6Å; P194-Q200 VanDerWaalsContact O-C 3.29Å; P194-Q200 VanDerWaalsContact O-CA 3.29Å; P194-Q200 WeakPolarHBondContact O-CA 3.19Å; P194-Q200 WeakPolarHBondContact O-CB 3.35Å; G196-Q200 VanDerWaalsContact C-CB 3.4Å; G196-Q200 VanDerWaalsContact CA-CB 3.43Å; E197-Q200 VanDerWaalsContact N-NE2 3.18Å; E197-Q200 PolarHBondContact O-NE2 3.25Å
201	G	87.4	Confident	90.3	Very high	0 Å²	0	24.1 Å²	24.1	0%	0	15%	0.146	C	C	.	.	T	Hydrogen-bonded Turn	trans	96.8	-21.9	-169.1	0	0	0	0	0	114	I167 Y193 P194 I199 A406	I167-G201 VanDerWaalsContact CG2-O 3.23Å; I167-G201 WeakPolarHBondContact CG2-O 3.33Å; Y193-G201 WeakPolarHBondContact O-CA 3.47Å; Y193-G201 PolarHBondContact O-N 3.15Å; P194-G201 PolarHBondContact O-N 3.07Å; I199-G201 PolarHBondContact O-N 3.24Å; G201-A406 VanDerWaalsContact O-CB 3.26Å; G201-A406 WeakPolarHBondContact O-CB 3.34Å
202	D	95.6	Very high	90.2	Very high	19 Å²	19	23.9 Å²	23.9	10%	0.102	15%	0.145	C	C	.	.			trans	-66.7	143.9	-175.2	-68.6	-7.5	0	0	0	111.7	M168 A192 Y193 I199	M168-D202 WeakPolarHBondContact CA-OD1 3.4Å; M168-D202 HydrophobicContact CB-CB 4.46Å; M168-D202 WeakPolarHBondContact CB-OD1 3.43Å; M168-D202 VanDerWaalsContact CG-OD1 3.24Å; M168-D202 WeakPolarHBondContact CG-OD1 3.39Å; M168-D202 PolarHBondContact N-OD1 2.97Å; M168-D202 WeakPolarHBondContact O-CA 3.23Å; M168-D202 WeakPolarHBondContact O-CB 3.32Å; A192-D202 CarbonylContact C-O 3.54Å; A192-D202 WeakPolarHBondContact CA-O 3.48Å; A192-D202 WeakPolarHBondContact CB-O 3.38Å; Y193-D202 HydrophobicContact CD2-CB 4.37Å; Y193-D202 PolarHBondContact N-O 3.14Å; I199-D202 HydrophobicContact CG1-CB 4.18Å; I199-D202 VanDerWaalsContact O-CB 3.26Å; I199-D202 WeakPolarHBondContact O-CB 3.41Å; I199-D202 PolarHBondContact O-N 3.17Å; I199-D202 VanDerWaalsContact O-N 3.1Å
203	A	97.6	Very high	90.3	Very high	0 Å²	0	25.9 Å²	25.9	0%	0	15%	0.154	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-123.8	120.9	180	0	0	0	0	0	110.1	M168 I169 S170 A192 F205 E402 F403	M168-A203 PolarHBondContact O-N 3.04Å; I169-A203 WeakPolarHBondContact CA-O 3.27Å; S170-A203 PolarHBondContact N-O 3.41Å; A192-A203 HydrophobicContact CB-CB 3.91Å; A203-F205 HydrophobicContact CB-CE2 4.04Å; A203-E402 HydrophobicContact CB-CB 4.39Å; A203-F403 HydrophobicContact CB-CD1 4.32Å; A203-F403 HydrophobicContact CB-CE1 4.12Å
204	H	97.4	Very high	90.5	Very high	13 Å²	13	25.5 Å²	25.5	6%	0.06	15%	0.153	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-114	134.2	-177.5	-57.1	163	0	0	0	110	S170 H176 D178 F182 A190 H191	S170-H204 CarbonylContact O-C 3.6Å; S170-H204 WeakPolarHBondContact O-CA 3.45Å; S170-H204 PolarHBondContact OG-CD2 3.31Å; H176-H204 AromaticContact CD2-CG 3.91Å; H176-H204 AromaticContact CD2-ND1 3.41Å; H176-H204 PolarHBondContact CD2-ND1 3.19Å; H176-H204 AromaticContact NE2-CG 3.89Å; H176-H204 AromaticContact NE2-ND1 3.31Å; H176-H204 PolarHBondContact NE2-ND1 2.8Å; D178-H204 IonicContact OD2-CE1 3.3Å; D178-H204 PolarHBondContact OD2-CE1 3.06Å; D178-H204 VanDerWaalsContact OD2-CE1 3.29Å; D178-H204 IonicContact OD2-ND1 2.97Å; D178-H204 PolarHBondContact OD2-ND1 2.81Å; F182-H204 HydrophobicContact CE2-CB 4.3Å; F182-H204 HydrophobicContact CZ-CB 4.06Å; A190-H204 CarbonylContact C-O 3.59Å; A190-H204 WeakPolarHBondContact CA-O 3.47Å; A190-H204 WeakPolarHBondContact CB-O 3.48Å; H191-H204 AromaticContact CD2-ND1 3.88Å; H191-H204 PolarHBondContact N-O 2.97Å; H191-H204 AromaticContact NE2-CG 3.81Å; H191-H204 AromaticContact NE2-ND1 3.25Å; H191-H204 PolarHBondContact NE2-ND1 2.84Å; H191-H204 PolarHBondContact O-N 3.3Å
205	F	98.1	Very high	90.8	Very high	0 Å²	0	30 Å²	30	0%	0	17%	0.17	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-114.5	135.4	-178.9	-64.6	-98.2	0	0	0	109.2	F142 I169 S170 F171 G172 A190 A203 D207 W211 L395 V398 A399 E402 F403	F142-F205 HydrophobicContact CE1-CD2 4.47Å; F142-F205 HydrophobicContact CE1-CE1 4.12Å; F142-F205 AromaticContact CE1-CE2 3.85Å; F142-F205 HydrophobicContact CE1-CE2 3.85Å; F142-F205 AromaticContact CE1-CZ 3.65Å; F142-F205 HydrophobicContact CE1-CZ 3.65Å; F142-F205 HydrophobicContact CZ-CD2 4.32Å; F142-F205 HydrophobicContact CZ-CE2 4.04Å; F142-F205 HydrophobicContact CZ-CZ 4.28Å; I169-F205 HydrophobicContact CG2-CD2 4.07Å; I169-F205 HydrophobicContact CG2-CE2 3.7Å; S170-F205 PolarHBondContact O-N 3.47Å; F171-F205 CarbonylContact C-O 3.6Å; F171-F205 WeakPolarHBondContact CA-O 2.98Å; F171-F205 HydrophobicContact CD1-CB 3.56Å; F171-F205 HydrophobicContact CD1-CG 4.48Å; F171-F205 HydrophobicContact CE1-CB 3.65Å; F171-F205 HydrophobicContact CE1-CG 4.17Å; F171-F205 HydrophobicContact CG-CB 4.27Å; F171-F205 HydrophobicContact CZ-CB 4.42Å; G172-F205 PolarHBondContact N-O 3.04Å; A190-F205 HydrophobicContact CB-CD1 3.85Å; A190-F205 HydrophobicContact CB-CE1 4.26Å; A190-F205 HydrophobicContact CB-CG 4.26Å; A203-F205 HydrophobicContact CB-CE2 4.04Å; F205-D207 PolarHBondContact O-N 3.09Å; F205-W211 HydrophobicContact CB-CH2 4.39Å; F205-W211 HydrophobicContact CB-CZ2 3.77Å; F205-W211 AromaticContact CD1-CH2 3.83Å; F205-W211 HydrophobicContact CD1-CH2 3.83Å; F205-W211 HydrophobicContact CD1-CZ2 4.06Å; F205-W211 HydrophobicContact CD1-CZ3 4.36Å; F205-W211 HydrophobicContact CG-CZ2 4.43Å; F205-L395 HydrophobicContact CD1-CD1 3.75Å; F205-L395 HydrophobicContact CE1-CD1 3.9Å; F205-L395 HydrophobicContact CG-CD1 4.41Å; F205-V398 HydrophobicContact CD1-CG1 4.19Å; F205-V398 HydrophobicContact CE1-CB 4.49Å; F205-V398 HydrophobicContact CE1-CG1 4.03Å; F205-A399 HydrophobicContact CE1-CB 3.81Å; F205-A399 HydrophobicContact CZ-CB 3.67Å; F205-E402 HydrophobicContact CE1-CG 4.37Å; F205-E402 HydrophobicContact CZ-CB 4.41Å; F205-E402 HydrophobicContact CZ-CG 4.41Å; F205-F403 HydrophobicContact CZ-CE1 4.44Å
206	D	95.8	Very high	90.8	Very high	0 Å²	0	30.2 Å²	30.2	0%	0	17%	0.174	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-71	116.5	179.3	-169.8	-5	0	0	0	109.9	G172 F182 L188 L189 D208 E209 W211	G172-D206 WeakPolarHBondContact O-CA 3.3Å; F182-D206 HydrophobicContact CB-CB 4.21Å; F182-D206 VanDerWaalsContact CB-OD2 3.3Å; F182-D206 WeakPolarHBondContact CB-OD2 3.48Å; F182-D206 HydrophobicContact CD1-CB 3.77Å; F182-D206 HydrophobicContact CD2-CB 3.81Å; F182-D206 HydrophobicContact CE1-CB 4.08Å; F182-D206 HydrophobicContact CE2-CB 4.1Å; F182-D206 HydrophobicContact CG-CB 3.67Å; F182-D206 HydrophobicContact CZ-CB 4.24Å; L188-D206 WeakPolarHBondContact O-CB 3.41Å; L189-D206 PolarHBondContact O-N 2.56Å; D206-D208 VanDerWaalsContact C-N 3.28Å; D206-D208 WeakPolarHBondContact OD1-CB 3.14Å; D206-D208 PolarHBondContact OD1-N 3.21Å; D206-E209 HydrophobicContact CB-CG 3.88Å; D206-E209 WeakPolarHBondContact O-CB 3.4Å; D206-E209 PolarHBondContact O-N 2.82Å; D206-W211 WeakPolarHBondContact O-CZ2 3.33Å; D206-W211 PolarHBondContact O-NE1 3.31Å
207	D	92.4	Very high	90.9	Very high	3 Å²	3	30.4 Å²	30.4	2%	0.016	17%	0.172	C	C	.	.	T	Hydrogen-bonded Turn	trans	-86.2	0.3	-178.3	-153.9	49.1	0	0	0	113.1	S130 F171 G172 K173 F205 Y312	S130-D207 WeakPolarHBondContact CA-OD1 3.45Å; S130-D207 WeakPolarHBondContact CB-OD1 3.46Å; S130-D207 PolarHBondContact OG-OD1 3Å; F171-D207 HydrophobicContact CB-CB 4.04Å; G172-D207 PolarHBondContact O-N 3.42Å; K173-D207 VanDerWaalsContact CE-O 3.3Å; K173-D207 WeakPolarHBondContact CE-O 3.26Å; K173-D207 HydrophobicContact CG-CB 3.89Å; F205-D207 PolarHBondContact O-N 3.09Å; D207-Y312 WeakPolarHBondContact OD2-CE1 3.41Å; D207-Y312 PolarHBondContact OD2-OH 2.81Å
208	D	89.5	Confident	90.9	Very high	28 Å²	28	23.4 Å²	23.4	15%	0.15	14%	0.141	C	C	.	.	T	Hydrogen-bonded Turn	trans	-80.2	-4.7	164.1	-73.3	-42.4	0	0	0	112.2	K173 D206	K173-D208 VanDerWaalsContact CD-OD1 3.3Å; K173-D208 WeakPolarHBondContact CD-OD1 2.99Å; K173-D208 WeakPolarHBondContact CE-OD1 3.42Å; K173-D208 IonicContact NZ-OD1 3.34Å; D206-D208 VanDerWaalsContact C-N 3.28Å; D206-D208 WeakPolarHBondContact OD1-CB 3.14Å; D206-D208 PolarHBondContact OD1-N 3.21Å
209	E	92.2	Very high	91.1	Very high	1 Å²	1	20.5 Å²	20.5	1%	0.005	11%	0.109	C	C	.	.	S	Bend	trans	-87.7	151.4	177.6	-62.6	-66.8	-165.5	0	0	114.1	D186 L189 D206 W211 Y393	D186-E209 WeakPolarHBondContact CA-OE1 3.25Å; D186-E209 PolarHBondContact N-OE1 2.97Å; D186-E209 PolarHBondContact N-OE2 3.11Å; L189-E209 HydrophobicContact CD2-CG 4.06Å; L189-E209 WeakPolarHBondContact CD2-OE1 3.35Å; D206-E209 HydrophobicContact CB-CG 3.88Å; D206-E209 WeakPolarHBondContact O-CB 3.4Å; D206-E209 PolarHBondContact O-N 2.82Å; E209-W211 HydrophobicContact CB-CZ2 4.11Å; E209-W211 HydrophobicContact CG-CZ2 4.47Å; E209-W211 PolarHBondContact O-N 3.38Å; E209-Y393 HydrophobicContact CB-CD2 4.12Å; E209-Y393 HydrophobicContact CG-CD2 4.38Å; E209-Y393 HydrophobicContact CG-CE2 4.5Å; E209-Y393 WeakPolarHBondContact OE2-CE2 3.46Å
210	H	92.3	Very high	91.4	Very high	12 Å²	12	20 Å²	20	6%	0.056	11%	0.105	C	C	.	.			trans	-83.1	97	173.4	-168.5	36.3	0	0	0	110.8	D132 T338 D390 G392 Y393	D132-H210 WeakPolarHBondContact OD2-CA 3.46Å; D132-H210 IonicContact OD2-CE1 2.75Å; D132-H210 IonicContact OD2-CG 3.59Å; D132-H210 IonicContact OD2-ND1 2.59Å; D132-H210 PolarHBondContact OD2-ND1 3.13Å; H210-T338 HydrophobicContact CB-CG2 3.88Å; H210-D390 IonicContact CD2-OD1 2.99Å; H210-G392 CarbonylContact O-C 3.59Å; H210-G392 WeakPolarHBondContact O-CA 3.39Å; H210-Y393 PolarHBondContact O-N 2.9Å
211	W	93.8	Very high	91.7	Very high	2 Å²	2	18.5 Å²	18.5	1%	0.008	10%	0.098	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-78.9	126.2	-177.8	-68.1	106.1	0	0	0	111.9	D132 M133 F171 L189 F205 D206 E209 L395 V398	D132-W211 HydrophobicContact CB-CB 4.33Å; D132-W211 PolarHBondContact OD2-N 2.87Å; M133-W211 HydrophobicContact CG-CB 4.43Å; M133-W211 VanDerWaalsContact CG-O 3.26Å; M133-W211 WeakPolarHBondContact CG-O 3.37Å; M133-W211 VanDerWaalsContact SD-C 3.52Å; M133-W211 HydrophobicContact SD-CB 3.94Å; M133-W211 VanDerWaalsContact SD-O 3.41Å; F171-W211 AromaticContact CD1-NE1 3.78Å; F171-W211 AromaticContact CE1-CD1 3.84Å; F171-W211 HydrophobicContact CE1-CD2 4.33Å; F171-W211 HydrophobicContact CE1-CG 4.2Å; F171-W211 AromaticContact CE1-NE1 3.71Å; L189-W211 HydrophobicContact CB-CH2 4.28Å; L189-W211 WeakPolarHBondContact O-CH2 3.48Å; L189-W211 VanDerWaalsContact O-CZ2 3.28Å; L189-W211 WeakPolarHBondContact O-CZ2 3.47Å; F205-W211 HydrophobicContact CB-CH2 4.39Å; F205-W211 HydrophobicContact CB-CZ2 3.77Å; F205-W211 AromaticContact CD1-CH2 3.83Å; F205-W211 HydrophobicContact CD1-CH2 3.83Å; F205-W211 HydrophobicContact CD1-CZ2 4.06Å; F205-W211 HydrophobicContact CD1-CZ3 4.36Å; F205-W211 HydrophobicContact CG-CZ2 4.43Å; D206-W211 WeakPolarHBondContact O-CZ2 3.33Å; D206-W211 PolarHBondContact O-NE1 3.31Å; E209-W211 HydrophobicContact CB-CZ2 4.11Å; E209-W211 HydrophobicContact CG-CZ2 4.47Å; E209-W211 PolarHBondContact O-N 3.38Å; W211-L395 HydrophobicContact CD2-CD1 4.05Å; W211-L395 HydrophobicContact CE3-CB 3.99Å; W211-L395 HydrophobicContact CE3-CD1 3.72Å; W211-L395 HydrophobicContact CE3-CG 4.47Å; W211-L395 HydrophobicContact CZ3-CD1 4.05Å; W211-V398 HydrophobicContact CH2-CB 4.2Å; W211-V398 HydrophobicContact CH2-CG1 3.91Å; W211-V398 HydrophobicContact CH2-CG2 4.31Å; W211-V398 HydrophobicContact CZ3-CB 3.88Å; W211-V398 HydrophobicContact CZ3-CG1 4.13Å; W211-V398 HydrophobicContact CZ3-CG2 3.86Å
212	T	93.7	Very high	91.8	Very high	0 Å²	0	21 Å²	21	0%	0	11%	0.108	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-140.9	-169.3	-178.5	73.4	0	0	0	0	111.1	G214 G216 Q391 Y393 S394 L395	T212-G214 VanDerWaalsContact C-N 3.32Å; T212-G214 WeakPolarHBondContact OG1-CA 3.37Å; T212-G214 PolarHBondContact OG1-N 3.24Å; T212-G216 VanDerWaalsContact CB-O 3.24Å; T212-G216 WeakPolarHBondContact CB-O 3.34Å; T212-G216 WeakPolarHBondContact CG2-O 3.44Å; T212-Q391 PolarHBondContact OG1-O 2.94Å; T212-Y393 CarbonylContact C-O 3.45Å; T212-Y393 PolarHBondContact N-O 3.24Å; T212-Y393 VanDerWaalsContact O-O 3.08Å; T212-S394 WeakPolarHBondContact O-CA 3.49Å; T212-L395 PolarHBondContact O-N 3.34Å
213	L	91.6	Very high	91.5	Very high	48 Å²	48	26.7 Å²	26.7	25%	0.251	13%	0.132	S	C	.	.	S	Bend	trans	-94.7	12	163.5	-63.2	176.9	0	0	0	112.5	M133 L137 V218 S394 Y425	M133-L213 HydrophobicContact CE-CD2 3.94Å; M133-L213 HydrophobicContact CE-CG 4.17Å; L137-L213 HydrophobicContact CD1-CD1 4.27Å; L137-L213 HydrophobicContact CD2-CD1 4.33Å; L137-L213 HydrophobicContact CD2-CG 4.48Å; L213-V218 HydrophobicContact CB-CG2 3.89Å; L213-V218 HydrophobicContact CD1-CG1 3.96Å; L213-V218 HydrophobicContact CD1-CG2 4.11Å; L213-V218 HydrophobicContact CG-CG1 4.39Å; L213-V218 HydrophobicContact CG-CG2 3.82Å; L213-S394 PolarHBondContact O-OG 3.45Å; L213-Y425 WeakPolarHBondContact O-CE2 3.19Å
214	G	89.5	Confident	91.2	Very high	1 Å²	1	28.4 Å²	28.4	1%	0.01	15%	0.15	C	C	.	.	S	Bend	trans	98.6	2.3	175.6	0	0	0	0	0	116	T212	T212-G214 VanDerWaalsContact C-N 3.32Å; T212-G214 WeakPolarHBondContact OG1-CA 3.37Å; T212-G214 PolarHBondContact OG1-N 3.24Å
215	K	88	Confident	91	Very high	122 Å²	122	30.9 Å²	30.9	53%	0.53	16%	0.164	S	C	.	.	S	Bend	trans	-125	27.8	-179.5	-66.8	-174	170.7	-167.5	0	113.3	Y425 E427	K215-Y425 HydrophobicContact CD-CE1 4.46Å; K215-Y425 WeakPolarHBondContact CE-OH 3.49Å; K215-Y425 HydrophobicContact CG-CE1 3.89Å; K215-Y425 WeakPolarHBondContact CG-OH 3.43Å; K215-E427 WeakPolarHBondContact CE-OE2 3.29Å; K215-E427 IonicContact NZ-OE1 2.86Å; K215-E427 PolarHBondContact NZ-OE1 3.22Å; K215-E427 IonicContact NZ-OE2 3.61Å; K215-E427 PolarHBondContact NZ-OE2 3.03Å
216	G	87.1	Confident	90.7	Very high	11 Å²	11	31.4 Å²	31.4	11%	0.113	17%	0.168	C	C	.	.	S	Bend	trans	88.6	-173	-174	0	0	0	0	0	113.1	T212 V218 D390 Q391	T212-G216 VanDerWaalsContact CB-O 3.24Å; T212-G216 WeakPolarHBondContact CB-O 3.34Å; T212-G216 WeakPolarHBondContact CG2-O 3.44Å; G216-V218 WeakPolarHBondContact O-CG2 3.41Å; G216-V218 PolarHBondContact O-N 3.41Å; G216-D390 WeakPolarHBondContact CA-O 3.49Å; G216-Q391 WeakPolarHBondContact CA-O 3.33Å; G216-Q391 PolarHBondContact N-O 3.38Å
217	A	85.5	Confident	90.3	Very high	33 Å²	33	40.5 Å²	40.5	27%	0.273	21%	0.211	S	C	.	.			trans	-50.5	130.1	-172	0	0	0	0	0	113	V219 D334	A217-V219 HydrophobicContact CB-CG2 4.44Å; A217-D334 HydrophobicContact CB-CB 4.27Å
218	V	84.9	Confident	90.1	Very high	28 Å²	28	41.5 Å²	41.5	17%	0.17	22%	0.221	C	C	.	.			trans	-109	101.2	179.5	-174.6	0	0	0	0	109.6	L137 L213 G216 M230	L137-V218 HydrophobicContact CD2-CB 4.06Å; L137-V218 HydrophobicContact CD2-CG1 3.47Å; L137-V218 VanDerWaalsContact CD2-CG1 3.47Å; L213-V218 HydrophobicContact CB-CG2 3.89Å; L213-V218 HydrophobicContact CD1-CG1 3.96Å; L213-V218 HydrophobicContact CD1-CG2 4.11Å; L213-V218 HydrophobicContact CG-CG1 4.39Å; L213-V218 HydrophobicContact CG-CG2 3.82Å; G216-V218 WeakPolarHBondContact O-CG2 3.41Å; G216-V218 PolarHBondContact O-N 3.41Å; V218-M230 HydrophobicContact CG1-CE 3.9Å; V218-M230 HydrophobicContact CG1-SD 3.77Å
219	V	90.4	Very high	90.2	Very high	10 Å²	10	42.1 Å²	42.1	6%	0.061	23%	0.23	C	C	.	.			trans	-104.8	104.3	-172.9	-171.2	0	0	0	0	109.8	A217 M230 C231 F233 C272 P273 D334	A217-V219 HydrophobicContact CB-CG2 4.44Å; V219-M230 WeakPolarHBondContact O-CA 3.38Å; V219-C231 HydrophobicContact CB-CB 3.99Å; V219-C231 VanDerWaalsContact CB-SG 3.5Å; V219-C231 WeakPolarHBondContact CG1-SG 3.5Å; V219-C231 PolarHBondContact O-N 3.2Å; V219-C231 PolarHBondContact O-SG 3.18Å; V219-F233 HydrophobicContact CB-CE2 4.13Å; V219-F233 HydrophobicContact CB-CZ 4.48Å; V219-F233 HydrophobicContact CG2-CE2 3.77Å; V219-F233 HydrophobicContact CG2-CZ 4.22Å; V219-C272 HydrophobicContact CG1-CB 3.89Å; V219-P273 VanDerWaalsContact CG1-CD 3.42Å; V219-P273 HydrophobicContact CG1-CG 4.36Å; V219-D334 HydrophobicContact CG2-CB 3.45Å; V219-D334 VanDerWaalsContact CG2-CB 3.45Å
220	K	90.9	Very high	90.2	Very high	53 Å²	53	45.5 Å²	45.5	23%	0.23	25%	0.247	C	C	.	.	B	Isolated β-bridge	trans	-81.2	128.4	171.7	-169.3	178.9	-179.9	177	0	109.9	D134 Y222 G228 M230	D134-K220 HydrophobicContact CB-CB 4.42Å; D134-K220 HydrophobicContact CB-CD 4.36Å; D134-K220 WeakPolarHBondContact OD1-CD 3.34Å; D134-K220 IonicContact OD1-NZ 3.55Å; D134-K220 PolarHBondContact OD1-NZ 3.1Å; K220-Y222 WeakPolarHBondContact O-CD2 3.43Å; K220-G228 WeakPolarHBondContact CG-O 3.33Å; K220-M230 VanDerWaalsContact CA-SD 3.59Å; K220-M230 HydrophobicContact CB-CE 4.22Å; K220-M230 HydrophobicContact CB-SD 3.74Å; K220-M230 HydrophobicContact CG-CE 4.38Å; K220-M230 HydrophobicContact CG-SD 4.13Å
221	T	92.3	Very high	90.3	Very high	5 Å²	5	45.7 Å²	45.7	3%	0.031	25%	0.25	C	C	.	.			trans	-73.8	150.1	-179.9	59.3	0	0	0	0	112.8	G228 A229 C257 T259 F271	T221-G228 WeakPolarHBondContact O-CA 3.25Å; T221-G228 WeakPolarHBondContact OG1-CA 3.05Å; T221-A229 WeakPolarHBondContact CB-O 3.43Å; T221-A229 WeakPolarHBondContact CG2-O 3.46Å; T221-A229 PolarHBondContact N-O 3.47Å; T221-A229 VanDerWaalsContact N-O 3.11Å; T221-A229 PolarHBondContact OG1-N 3.13Å; T221-A229 PolarHBondContact OG1-O 3.22Å; T221-C257 WeakPolarHBondContact CG2-SG 3.48Å; T221-T259 HydrophobicContact CG2-CG2 3.79Å; T221-F271 CarbonylContact C-O 3.57Å; T221-F271 VanDerWaalsContact CA-O 3.27Å; T221-F271 WeakPolarHBondContact CA-O 3.49Å
222	Y	89	Confident	90.3	Very high	51 Å²	51	49.4 Å²	49.4	20%	0.2	27%	0.267	C	S	.	.	B	Isolated β-bridge	trans	-114.8	138.1	173.1	-79.5	-100.7	0	0	0	109	D134 K220 F271 P273 F278	D134-Y222 PolarHBondContact OD2-OH 3.15Å; K220-Y222 WeakPolarHBondContact O-CD2 3.43Å; Y222-F271 PolarHBondContact N-O 2.6Å; Y222-F271 WeakPolarHBondContact O-CB 3.15Å; Y222-F271 WeakPolarHBondContact O-CD2 3.37Å; Y222-F271 PolarHBondContact O-N 3.4Å; Y222-P273 HydrophobicContact CD2-CG 4.39Å; Y222-P273 HydrophobicContact CE2-CG 4.19Å; Y222-F278 AromaticContact CD1-CD1 3.99Å; Y222-F278 HydrophobicContact CD1-CD1 3.99Å; Y222-F278 HydrophobicContact CD1-CE1 4.11Å; Y222-F278 AromaticContact CD2-CE1 3.95Å; Y222-F278 HydrophobicContact CD2-CE1 3.95Å; Y222-F278 AromaticContact CE1-CD1 3.65Å; Y222-F278 HydrophobicContact CE1-CD1 3.65Å; Y222-F278 AromaticContact CE1-CE1 3.63Å; Y222-F278 HydrophobicContact CE1-CE1 3.63Å; Y222-F278 HydrophobicContact CE1-CG 4.19Å; Y222-F278 HydrophobicContact CE1-CZ 4.16Å; Y222-F278 HydrophobicContact CE2-CD1 4.31Å; Y222-F278 AromaticContact CE2-CE1 3.48Å; Y222-F278 HydrophobicContact CE2-CE1 3.48Å; Y222-F278 VanDerWaalsContact CE2-CE1 3.48Å; Y222-F278 AromaticContact CE2-CZ 3.84Å; Y222-F278 HydrophobicContact CE2-CZ 3.84Å; Y222-F278 HydrophobicContact CG-CD1 4.42Å; Y222-F278 HydrophobicContact CG-CE1 4.26Å; Y222-F278 AromaticContact CZ-CD1 3.83Å; Y222-F278 AromaticContact CZ-CE1 3.28Å; Y222-F278 AromaticContact CZ-CZ 3.5Å; Y222-F278 VanDerWaalsContact CZ-CZ 3.5Å; Y222-F278 VanDerWaalsContact OH-CZ 3.29Å; Y222-F278 WeakPolarHBondContact OH-CZ 3.44Å
223	F	89.4	Confident	90.1	Very high	139 Å²	139	52 Å²	52	61%	0.61	28%	0.279	S	S	*	.	S	Bend	trans	49.6	-145.3	-175.5	-44.4	-79.5	0	0	0	112.6	F271 L277	F223-F271 HydrophobicContact CB-CD2 4Å; F223-F271 HydrophobicContact CB-CE2 4.36Å; F223-F271 HydrophobicContact CD2-CD2 4.46Å; F223-L277 HydrophobicContact CD2-CD2 4.18Å; F223-L277 HydrophobicContact CE2-CB 4.35Å; F223-L277 HydrophobicContact CE2-CD2 4Å
224	G	90.6	Very high	90.2	Very high	37 Å²	37	53 Å²	53	38%	0.381	29%	0.288	S	S	.	.	T	Hydrogen-bonded Turn	trans	71.5	-160.5	-176.5	0	0	0	0	0	113.2
225	N	93.9	Very high	90.5	Very high	64 Å²	64	53 Å²	53	34%	0.342	29%	0.287	S	S	.	.	T	Hydrogen-bonded Turn	trans	-112	12.7	-177.4	70.5	3.1	0	0	0	113.2	K267 K268 Y269	N225-K267 PolarHBondContact ND2-O 2.68Å; N225-K267 PolarHBondContact OD1-O 2.98Å; N225-K268 PolarHBondContact O-NZ 2.97Å; N225-K268 WeakPolarHBondContact OD1-CA 3.32Å; N225-Y269 PolarHBondContact N-O 2.92Å; N225-Y269 VanDerWaalsContact N-O 3.11Å; N225-Y269 PolarHBondContact OD1-N 2.83Å; N225-Y269 PolarHBondContact OD1-O 3.17Å
226	A	91.7	Very high	90.9	Very high	12 Å²	12	49.5 Å²	49.5	10%	0.099	28%	0.276	C	S	.	.	T	Hydrogen-bonded Turn	trans	-108.1	7.6	-179	0	0	0	0	0	113.7	G228 A229 T259 Y269	A226-G228 PolarHBondContact O-N 2.82Å; A226-G228 VanDerWaalsContact O-N 3.08Å; A226-A229 HydrophobicContact CB-CB 4.28Å; A226-A229 VanDerWaalsContact O-CB 3.24Å; A226-A229 WeakPolarHBondContact O-CB 3.37Å; A226-A229 PolarHBondContact O-N 2.82Å; A226-T259 HydrophobicContact CB-CG2 3.51Å; A226-T259 WeakPolarHBondContact CB-OG1 3.36Å; A226-Y269 VanDerWaalsContact CB-O 3.28Å; A226-Y269 WeakPolarHBondContact CB-O 3.32Å; A226-Y269 PolarHBondContact N-O 3.37Å
227	E	87.8	Confident	91.3	Very high	191 Å²	191	49.8 Å²	49.8	89%	0.893	27%	0.274	S	S	*	.	T	Hydrogen-bonded Turn	trans	52.8	34.7	169.2	-60.4	178.9	-170.9	0	0	114.6
228	G	87.4	Confident	91.8	Very high	23 Å²	23	54.4 Å²	54.4	24%	0.237	29%	0.29	C	S	.	.	T	Hydrogen-bonded Turn	trans	79.5	18.5	179.9	0	0	0	0	0	115.1	K220 T221 A226	K220-G228 WeakPolarHBondContact CG-O 3.33Å; T221-G228 WeakPolarHBondContact O-CA 3.25Å; T221-G228 WeakPolarHBondContact OG1-CA 3.05Å; A226-G228 PolarHBondContact O-N 2.82Å; A226-G228 VanDerWaalsContact O-N 3.08Å
229	A	92.4	Very high	92	Very high	41 Å²	41	56.2 Å²	56.2	34%	0.339	32%	0.315	S	S	.	.	P	Polyproline II helix	trans	-60.4	156.1	169.5	0	0	0	0	0	111.9	T221 A226 T259	T221-A229 WeakPolarHBondContact CB-O 3.43Å; T221-A229 WeakPolarHBondContact CG2-O 3.46Å; T221-A229 PolarHBondContact N-O 3.47Å; T221-A229 VanDerWaalsContact N-O 3.11Å; T221-A229 PolarHBondContact OG1-N 3.13Å; T221-A229 PolarHBondContact OG1-O 3.22Å; A226-A229 HydrophobicContact CB-CB 4.28Å; A226-A229 VanDerWaalsContact O-CB 3.24Å; A226-A229 WeakPolarHBondContact O-CB 3.37Å; A226-A229 PolarHBondContact O-N 2.82Å; A229-T259 HydrophobicContact CB-CG2 3.94Å
230	M	92.4	Very high	92.2	Very high	73 Å²	73	60.9 Å²	60.9	36%	0.36	33%	0.334	S	S	.	.	B	Isolated β-bridge	trans	-70.2	145.7	176.1	-63.4	-59	-178.1	0	0	110.7	L137 V218 V219 K220 T259	L137-M230 HydrophobicContact CD1-CE 3.82Å; L137-M230 HydrophobicContact CD2-CE 3.97Å; L137-M230 HydrophobicContact CG-CE 4.49Å; V218-M230 HydrophobicContact CG1-CE 3.9Å; V218-M230 HydrophobicContact CG1-SD 3.77Å; V219-M230 WeakPolarHBondContact O-CA 3.38Å; K220-M230 VanDerWaalsContact CA-SD 3.59Å; K220-M230 HydrophobicContact CB-CE 4.22Å; K220-M230 HydrophobicContact CB-SD 3.74Å; K220-M230 HydrophobicContact CG-CE 4.38Å; K220-M230 HydrophobicContact CG-SD 4.13Å; M230-T259 WeakPolarHBondContact O-CB 3.49Å; M230-T259 WeakPolarHBondContact O-CG2 3.06Å
231	C	93.7	Very high	92.3	Very high	16 Å²	16	62.2 Å²	62.2	11%	0.108	35%	0.35	C	S	.	.	P	Polyproline II helix	trans	-57.4	139.8	167.1	-63.5	0	0	0	0	110.2	V219 F233 C257	V219-C231 HydrophobicContact CB-CB 3.99Å; V219-C231 VanDerWaalsContact CB-SG 3.5Å; V219-C231 WeakPolarHBondContact CG1-SG 3.5Å; V219-C231 PolarHBondContact O-N 3.2Å; V219-C231 PolarHBondContact O-SG 3.18Å; C231-F233 HydrophobicContact CB-CD2 4.16Å; C231-F233 HydrophobicContact CB-CE1 4.1Å; C231-F233 HydrophobicContact CB-CE2 3.52Å; C231-F233 HydrophobicContact CB-CZ 3.49Å; C231-F233 VanDerWaalsContact CB-CZ 3.49Å; C231-C257 WeakPolarHBondContact CA-SG 3.02Å; C231-C257 HydrophobicContact CB-CB 3.67Å; C231-C257 WeakPolarHBondContact CB-SG 3.47Å; C231-C257 WeakPolarHBondContact SG-CB 3.39Å; C231-C257 CovalentContact SG-SG 2Å; C231-C257 PolarHBondContact SG-SG 3.09Å
232	H	93.3	Very high	92.3	Very high	79 Å²	79	63.2 Å²	63.2	37%	0.366	35%	0.354	S	S	.	.			trans	-98.7	110.7	172.4	-176.7	-69	0	0	0	108.7	P234 F235 A258	H232-P234 PolarHBondContact CE1-O 2.84Å; H232-P234 VanDerWaalsContact CE1-O 3.28Å; H232-P234 PolarHBondContact ND1-O 2.87Å; H232-P234 CarbonylContact O-C 3.53Å; H232-F235 WeakPolarHBondContact O-CB 3.04Å; H232-F235 WeakPolarHBondContact O-CD1 3.31Å; H232-F235 PolarHBondContact O-N 3.36Å; H232-A258 PolarHBondContact N-O 2.98Å
233	F	90.6	Very high	92.3	Very high	56 Å²	56	65.9 Å²	65.9	25%	0.246	38%	0.376	C	S	.	.	S	Bend	trans	-109.6	133.6	174.1	-60	-58.1	0	0	0	111	V219 C231 F235 T243 S244 C257	V219-F233 HydrophobicContact CB-CE2 4.13Å; V219-F233 HydrophobicContact CB-CZ 4.48Å; V219-F233 HydrophobicContact CG2-CE2 3.77Å; V219-F233 HydrophobicContact CG2-CZ 4.22Å; C231-F233 HydrophobicContact CB-CD2 4.16Å; C231-F233 HydrophobicContact CB-CE1 4.1Å; C231-F233 HydrophobicContact CB-CE2 3.52Å; C231-F233 HydrophobicContact CB-CZ 3.49Å; C231-F233 VanDerWaalsContact CB-CZ 3.49Å; F233-F235 HydrophobicContact CD1-CD1 4.04Å; F233-F235 HydrophobicContact CD1-CE1 4.22Å; F233-F235 HydrophobicContact CE1-CD1 4.18Å; F233-F235 AromaticContact CE1-CE1 3.93Å; F233-F235 HydrophobicContact CE1-CE1 3.93Å; F233-T243 VanDerWaalsContact CD1-C 3.42Å; F233-S244 VanDerWaalsContact CE1-CA 3.44Å; F233-C257 HydrophobicContact CE1-CB 4.19Å; F233-C257 HydrophobicContact CZ-CB 4.28Å
234	P	93.2	Very high	92.3	Very high	69 Å²	69	61 Å²	61	45%	0.448	36%	0.358	S	S	.	.	S	Bend	cis	-72	156.2	-11.1	30.1	-33.6	0	0	0	112.7	H232 S241 Y242 T243	H232-P234 PolarHBondContact CE1-O 2.84Å; H232-P234 VanDerWaalsContact CE1-O 3.28Å; H232-P234 PolarHBondContact ND1-O 2.87Å; H232-P234 CarbonylContact O-C 3.53Å; P234-S241 WeakPolarHBondContact CB-OG 3.15Å; P234-Y242 CarbonylContact C-O 3.55Å; P234-Y242 WeakPolarHBondContact CA-O 2.99Å; P234-T243 HydrophobicContact CB-CG2 4.04Å
235	F	95.2	Very high	92.4	Very high	0 Å²	0	59.9 Å²	59.9	0%	0	35%	0.345	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-127.1	155.5	166.4	69.8	-87.4	0	0	0	112.2	H232 F233 F237 S241 Y242 T246 W256 C257 A258 T260 A261	H232-F235 WeakPolarHBondContact O-CB 3.04Å; H232-F235 WeakPolarHBondContact O-CD1 3.31Å; H232-F235 PolarHBondContact O-N 3.36Å; F233-F235 HydrophobicContact CD1-CD1 4.04Å; F233-F235 HydrophobicContact CD1-CE1 4.22Å; F233-F235 HydrophobicContact CE1-CD1 4.18Å; F233-F235 AromaticContact CE1-CE1 3.93Å; F233-F235 HydrophobicContact CE1-CE1 3.93Å; F235-F237 HydrophobicContact CD2-CB 4.34Å; F235-F237 HydrophobicContact CE2-CB 4.03Å; F235-S241 CarbonylContact O-C 3.59Å; F235-S241 WeakPolarHBondContact O-CA 3.38Å; F235-Y242 HydrophobicContact CD2-CD2 4.46Å; F235-Y242 AromaticContact CE2-CD2 3.97Å; F235-Y242 HydrophobicContact CE2-CD2 3.97Å; F235-Y242 HydrophobicContact CE2-CG 4.29Å; F235-Y242 HydrophobicContact CZ-CD2 4.2Å; F235-Y242 HydrophobicContact CZ-CG 4.05Å; F235-Y242 PolarHBondContact N-O 3.38Å; F235-Y242 PolarHBondContact O-N 2.9Å; F235-T246 HydrophobicContact CZ-CG2 4.2Å; F235-W256 HydrophobicContact CE2-CH2 4.07Å; F235-W256 HydrophobicContact CE2-CZ3 4.1Å; F235-C257 HydrophobicContact CE1-CB 3.88Å; F235-C257 HydrophobicContact CZ-CB 4.36Å; F235-A258 HydrophobicContact CB-CB 3.66Å; F235-A258 HydrophobicContact CD1-CB 4.18Å; F235-A258 HydrophobicContact CD2-CB 3.36Å; F235-A258 HydrophobicContact CE2-CB 3.99Å; F235-A258 HydrophobicContact CG-CB 3.47Å; F235-A258 VanDerWaalsContact CG-CB 3.47Å; F235-T260 WeakPolarHBondContact CB-O 3.25Å; F235-A261 CarbonylContact C-O 3.56Å; F235-A261 WeakPolarHBondContact CA-O 3.43Å
236	T	96.6	Very high	92.3	Very high	49 Å²	49	57.7 Å²	57.7	30%	0.301	33%	0.334	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-100.4	131.3	177.7	-54.3	0	0	0	0	111.5	K240 A261 Y263	T236-K240 CarbonylContact C-O 3.54Å; T236-K240 VanDerWaalsContact CA-O 3.31Å; T236-K240 WeakPolarHBondContact CA-O 3.3Å; T236-A261 PolarHBondContact N-O 3.11Å; T236-Y263 WeakPolarHBondContact O-CB 3.28Å; T236-Y263 PolarHBondContact O-N 3.11Å
237	F	96.6	Very high	92.2	Very high	16 Å²	16	60 Å²	60	7%	0.07	35%	0.346	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-141.2	129.1	171.4	168.9	-119	0	0	0	109.9	F235 G239 K240 Y242 E248 W256 Y263	F235-F237 HydrophobicContact CD2-CB 4.34Å; F235-F237 HydrophobicContact CE2-CB 4.03Å; F237-G239 PolarHBondContact O-N 3.07Å; F237-G239 VanDerWaalsContact O-N 3.15Å; F237-K240 PolarHBondContact N-O 3.14Å; F237-K240 PolarHBondContact O-N 3.22Å; F237-Y242 HydrophobicContact CB-CD2 4.18Å; F237-Y242 HydrophobicContact CB-CE2 3.84Å; F237-Y242 HydrophobicContact CD1-CE2 4.08Å; F237-Y242 HydrophobicContact CG-CE2 4.47Å; F237-E248 HydrophobicContact CE1-CG 4.5Å; F237-W256 HydrophobicContact CB-CH2 4.12Å; F237-W256 HydrophobicContact CD1-CH2 4.1Å; F237-W256 AromaticContact CD1-CZ2 3.66Å; F237-W256 HydrophobicContact CD1-CZ2 3.66Å; F237-W256 AromaticContact CD2-CH2 3.87Å; F237-W256 HydrophobicContact CD2-CH2 3.87Å; F237-W256 HydrophobicContact CD2-CZ2 4.07Å; F237-W256 HydrophobicContact CE1-CH2 4.49Å; F237-W256 AromaticContact CE1-CZ2 3.76Å; F237-W256 HydrophobicContact CE1-CZ2 3.76Å; F237-W256 HydrophobicContact CE2-CH2 4.25Å; F237-W256 HydrophobicContact CE2-CZ2 4.13Å; F237-W256 AromaticContact CG-CH2 3.75Å; F237-W256 HydrophobicContact CG-CH2 3.75Å; F237-W256 AromaticContact CG-CZ2 3.81Å; F237-W256 HydrophobicContact CG-CZ2 3.81Å; F237-W256 AromaticContact CZ-CZ2 3.98Å; F237-W256 HydrophobicContact CZ-CZ2 3.98Å; F237-Y263 AromaticContact CD2-CD1 3.45Å; F237-Y263 HydrophobicContact CD2-CD1 3.45Å; F237-Y263 VanDerWaalsContact CD2-CD1 3.45Å; F237-Y263 AromaticContact CD2-CE1 3.72Å; F237-Y263 HydrophobicContact CD2-CE1 3.72Å; F237-Y263 HydrophobicContact CD2-CG 4.48Å; F237-Y263 HydrophobicContact CE2-CD1 4.04Å; F237-Y263 AromaticContact CE2-CE1 3.8Å; F237-Y263 HydrophobicContact CE2-CE1 3.8Å; F237-Y263 HydrophobicContact CG-CD1 4.36Å
238	E	94.4	Very high	92.4	Very high	130 Å²	130	54 Å²	54	61%	0.607	32%	0.319	S	S	*	.	T	Hydrogen-bonded Turn	trans	49	38	-174.3	-63.5	-171.1	167.6	0	0	113.2	K240 D264	E238-K240 PolarHBondContact O-N 3.19Å; E238-D264 WeakPolarHBondContact CA-OD2 3.46Å; E238-D264 VanDerWaalsContact N-CG 3.32Å; E238-D264 PolarHBondContact N-OD1 3.26Å; E238-D264 PolarHBondContact N-OD2 2.87Å
239	G	91	Very high	92.4	Very high	66 Å²	66	56.1 Å²	56.1	68%	0.68	34%	0.34	S	S	*	.	T	Hydrogen-bonded Turn	trans	71.3	7.3	-178.7	0	0	0	0	0	115.6	F237 D264	F237-G239 PolarHBondContact O-N 3.07Å; F237-G239 VanDerWaalsContact O-N 3.15Å; G239-D264 PolarHBondContact N-OD2 3.34Å
240	K	93.6	Very high	92.3	Very high	108 Å²	108	57.7 Å²	57.7	47%	0.47	34%	0.337	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-103.9	143.3	171.4	-65.2	176.6	-174.1	171.2	0	110.5	T236 F237 E238 Y242 E248	T236-K240 CarbonylContact C-O 3.54Å; T236-K240 VanDerWaalsContact CA-O 3.31Å; T236-K240 WeakPolarHBondContact CA-O 3.3Å; F237-K240 PolarHBondContact N-O 3.14Å; F237-K240 PolarHBondContact O-N 3.22Å; E238-K240 PolarHBondContact O-N 3.19Å; K240-Y242 HydrophobicContact CB-CE2 3.72Å; K240-Y242 WeakPolarHBondContact O-CD2 3.29Å; K240-Y242 WeakPolarHBondContact O-CE2 3.42Å; K240-E248 IonicContact NZ-OE1 3.3Å; K240-E248 PolarHBondContact NZ-OE1 3.41Å; K240-E248 IonicContact NZ-OE2 3.69Å
241	S	93.9	Very high	92	Very high	82 Å²	82	61.1 Å²	61.1	57%	0.573	36%	0.363	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-94.7	129.9	176.5	-179.2	0	0	0	0	110.4	P234 F235	P234-S241 WeakPolarHBondContact CB-OG 3.15Å; F235-S241 CarbonylContact O-C 3.59Å; F235-S241 WeakPolarHBondContact O-CA 3.38Å
242	Y	90.8	Very high	91.6	Very high	26 Å²	26	63.7 Å²	63.7	10%	0.102	38%	0.375	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-115.8	130.2	178.1	-62.2	-93.5	0	0	0	110.1	P234 F235 F237 K240 T246 E248	P234-Y242 CarbonylContact C-O 3.55Å; P234-Y242 WeakPolarHBondContact CA-O 2.99Å; F235-Y242 HydrophobicContact CD2-CD2 4.46Å; F235-Y242 AromaticContact CE2-CD2 3.97Å; F235-Y242 HydrophobicContact CE2-CD2 3.97Å; F235-Y242 HydrophobicContact CE2-CG 4.29Å; F235-Y242 HydrophobicContact CZ-CD2 4.2Å; F235-Y242 HydrophobicContact CZ-CG 4.05Å; F235-Y242 PolarHBondContact N-O 3.38Å; F235-Y242 PolarHBondContact O-N 2.9Å; F237-Y242 HydrophobicContact CB-CD2 4.18Å; F237-Y242 HydrophobicContact CB-CE2 3.84Å; F237-Y242 HydrophobicContact CD1-CE2 4.08Å; F237-Y242 HydrophobicContact CG-CE2 4.47Å; K240-Y242 HydrophobicContact CB-CE2 3.72Å; K240-Y242 WeakPolarHBondContact O-CD2 3.29Å; K240-Y242 WeakPolarHBondContact O-CE2 3.42Å; Y242-T246 HydrophobicContact CD1-CG2 3.94Å; Y242-T246 HydrophobicContact CE1-CG2 4.02Å; Y242-T246 HydrophobicContact CG-CG2 4.35Å; Y242-E248 PolarHBondContact OH-OE2 2.8Å
243	T	88.9	Confident	91.1	Very high	107 Å²	107	65 Å²	65	66%	0.656	39%	0.385	S	S	*	.	S	Bend	trans	-104.3	4.8	175.9	51.7	0	0	0	0	112.6	F233 P234	F233-T243 VanDerWaalsContact CD1-C 3.42Å; P234-T243 HydrophobicContact CB-CG2 4.04Å
244	S	90.1	Very high	91	Very high	35 Å²	35	63.6 Å²	63.6	25%	0.245	38%	0.38	C	S	.	.	S	Bend	trans	-149	169.9	-179.6	65.9	0	0	0	0	109.3	F233 D334	F233-S244 VanDerWaalsContact CE1-CA 3.44Å; S244-D334 WeakPolarHBondContact CA-OD2 3.39Å; S244-D334 WeakPolarHBondContact CB-OD2 3.33Å
245	C	92.4	Very high	91	Very high	14 Å²	14	60.7 Å²	60.7	10%	0.095	36%	0.361	C	S	.	.			trans	-61.4	147.1	171.4	-61.9	0	0	0	0	111	P255 W256 C272 D334	C245-P255 HydrophobicContact CB-CB 4.07Å; C245-W256 WeakPolarHBondContact CA-O 3.24Å; C245-C272 HydrophobicContact CB-CB 3.69Å; C245-C272 WeakPolarHBondContact CB-SG 3.04Å; C245-C272 WeakPolarHBondContact SG-CB 3.39Å; C245-C272 CovalentContact SG-SG 2.01Å; C245-C272 PolarHBondContact SG-SG 2.72Å; C245-D334 VanDerWaalsContact CB-OD1 3.28Å; C245-D334 WeakPolarHBondContact CB-OD1 3.48Å; C245-D334 PolarHBondContact N-OD2 2.89Å; C245-D334 VanDerWaalsContact SG-CG 3.6Å; C245-D334 PolarHBondContact SG-OD1 3.31Å
246	T	91.4	Very high	91	Very high	19 Å²	19	61.1 Å²	61.1	12%	0.117	36%	0.363	C	S	.	.	B	Isolated β-bridge	trans	-131.7	151.5	-178.1	-174.1	0	0	0	0	110.8	F235 Y242 E248 P255 W256	F235-T246 HydrophobicContact CZ-CG2 4.2Å; Y242-T246 HydrophobicContact CD1-CG2 3.94Å; Y242-T246 HydrophobicContact CE1-CG2 4.02Å; Y242-T246 HydrophobicContact CG-CG2 4.35Å; T246-E248 HydrophobicContact CG2-CB 4.45Å; T246-E248 VanDerWaalsContact OG1-CB 3.28Å; T246-E248 WeakPolarHBondContact OG1-CB 3.47Å; T246-E248 PolarHBondContact OG1-N 3.18Å; T246-P255 WeakPolarHBondContact O-CA 3.22Å; T246-W256 HydrophobicContact CG2-CZ2 4.31Å; T246-W256 PolarHBondContact N-O 3Å; T246-W256 PolarHBondContact O-N 3.33Å
247	T	91.4	Very high	91	Very high	59 Å²	59	58.8 Å²	58.8	36%	0.362	35%	0.348	S	S	.	.			trans	-98.6	-1.6	168.2	55.7	0	0	0	0	111.7	R250 N253 P255	T247-R250 WeakPolarHBondContact O-CB 3.4Å; T247-R250 PolarHBondContact O-N 3.35Å; T247-R250 VanDerWaalsContact O-N 3.1Å; T247-N253 VanDerWaalsContact CG2-O 3.31Å; T247-N253 WeakPolarHBondContact CG2-O 3.5Å; T247-P255 HydrophobicContact CG2-CB 4.38Å
248	E	90.6	Very high	91	Very high	66 Å²	66	58 Å²	58	31%	0.308	35%	0.345	S	S	.	.	T	Hydrogen-bonded Turn	trans	-59.8	138.6	-179.2	-165.5	165.4	174.6	0	0	110.8	F237 K240 Y242 T246 R250 W256	F237-E248 HydrophobicContact CE1-CG 4.5Å; K240-E248 IonicContact NZ-OE1 3.3Å; K240-E248 PolarHBondContact NZ-OE1 3.41Å; K240-E248 IonicContact NZ-OE2 3.69Å; Y242-E248 PolarHBondContact OH-OE2 2.8Å; T246-E248 HydrophobicContact CG2-CB 4.45Å; T246-E248 VanDerWaalsContact OG1-CB 3.28Å; T246-E248 WeakPolarHBondContact OG1-CB 3.47Å; T246-E248 PolarHBondContact OG1-N 3.18Å; E248-R250 VanDerWaalsContact C-N 3.31Å; E248-W256 PolarHBondContact O-NE1 3.08Å
249	G	87.9	Confident	91	Very high	67 Å²	67	53 Å²	53	69%	0.691	32%	0.324	S	S	*	.	T	Hydrogen-bonded Turn	trans	80.4	3.1	-173.8	0	0	0	0	0	115.2
250	R	89.4	Confident	91.3	Very high	75 Å²	75	51.5 Å²	51.5	28%	0.283	30%	0.301	S	S	.	.			trans	-123.1	152.6	178.7	-58.7	-162.9	64.1	83.7	0.3	113.4	T247 E248 D252 L254 F271	T247-R250 WeakPolarHBondContact O-CB 3.4Å; T247-R250 PolarHBondContact O-N 3.35Å; T247-R250 VanDerWaalsContact O-N 3.1Å; E248-R250 VanDerWaalsContact C-N 3.31Å; R250-D252 IonicContact CZ-OD1 3.88Å; R250-D252 IonicContact CZ-OD2 2.64Å; R250-D252 IonicContact NE-OD1 2.83Å; R250-D252 PolarHBondContact NE-OD1 2.9Å; R250-D252 IonicContact NE-OD2 3.81Å; R250-D252 IonicContact NH2-OD1 2.69Å; R250-D252 PolarHBondContact NH2-OD1 2.93Å; R250-D252 IonicContact NH2-OD2 3.79Å; R250-D252 PolarHBondContact NH2-OD2 2.55Å; R250-L254 WeakPolarHBondContact CD-O 3.47Å; R250-F271 VanDerWaalsContact CZ-CE1 3.41Å
251	T	87.9	Confident	91.3	Very high	145 Å²	145	48.9 Å²	48.9	89%	0.89	30%	0.299	S	S	*	.	S	Bend	trans	-107.3	-12.8	178.7	55.7	0	0	0	0	113.8
252	D	84.3	Confident	91.4	Very high	69 Å²	69	47.8 Å²	47.8	37%	0.369	29%	0.287	S	S	.	.	S	Bend	trans	-95	6.1	-179.3	56.7	4.1	0	0	0	113.2	R250 L254	R250-D252 IonicContact CZ-OD1 3.88Å; R250-D252 IonicContact CZ-OD2 2.64Å; R250-D252 IonicContact NE-OD1 2.83Å; R250-D252 PolarHBondContact NE-OD1 2.9Å; R250-D252 IonicContact NE-OD2 3.81Å; R250-D252 IonicContact NH2-OD1 2.69Å; R250-D252 PolarHBondContact NH2-OD1 2.93Å; R250-D252 IonicContact NH2-OD2 3.79Å; R250-D252 PolarHBondContact NH2-OD2 2.55Å; D252-L254 PolarHBondContact O-N 2.9Å; D252-L254 PolarHBondContact OD1-N 3.18Å
253	N	82.2	Confident	91.7	Very high	108 Å²	108	48.5 Å²	48.5	58%	0.578	29%	0.29	S	S	*	.			trans	56.6	15.9	-179.5	-64.6	-26.3	0	0	0	115.1	T247	T247-N253 VanDerWaalsContact CG2-O 3.31Å; T247-N253 WeakPolarHBondContact CG2-O 3.5Å
254	L	89.8	Confident	91.8	Very high	25 Å²	25	46.2 Å²	46.2	13%	0.131	27%	0.273	C	S	.	.			trans	-74.1	123.7	175.1	-77.4	173.8	0	0	0	110.3	R250 D252 F271 L276 L277	R250-L254 WeakPolarHBondContact CD-O 3.47Å; D252-L254 PolarHBondContact O-N 2.9Å; D252-L254 PolarHBondContact OD1-N 3.18Å; L254-F271 HydrophobicContact CB-CD1 3.95Å; L254-F271 HydrophobicContact CB-CE1 4.12Å; L254-F271 HydrophobicContact CD1-CE1 4.4Å; L254-L276 HydrophobicContact CD2-CB 3.65Å; L254-L276 HydrophobicContact CD2-CD1 4.02Å; L254-L276 HydrophobicContact CD2-CG 4.49Å; L254-L277 HydrophobicContact CD1-CD2 4Å; L254-L277 HydrophobicContact CD2-CD2 3.67Å; L254-L277 HydrophobicContact CD2-CG 3.88Å; L254-L277 HydrophobicContact CG-CD2 4.49Å
255	P	92.9	Very high	92.1	Very high	8 Å²	8	52.1 Å²	52.1	5%	0.052	30%	0.295	C	S	.	.			trans	-69.7	140.7	177.5	29.2	-33.9	0	0	0	110.3	C245 T246 T247 F271 C272	C245-P255 HydrophobicContact CB-CB 4.07Å; T246-P255 WeakPolarHBondContact O-CA 3.22Å; T247-P255 HydrophobicContact CG2-CB 4.38Å; P255-F271 CarbonylContact O-C 3.25Å; P255-F271 WeakPolarHBondContact O-CA 3.34Å; P255-C272 HydrophobicContact CB-CB 4.14Å; P255-C272 HydrophobicContact CG-CB 4.2Å; P255-C272 PolarHBondContact O-N 2.93Å
256	W	95	Very high	92.2	Very high	9 Å²	9	54.8 Å²	54.8	3%	0.034	31%	0.308	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-140.8	162.8	179.2	74.9	-82.7	0	0	0	111.3	F235 F237 C245 T246 E248 Y263 Y269 G270 F271 C272	F235-W256 HydrophobicContact CE2-CH2 4.07Å; F235-W256 HydrophobicContact CE2-CZ3 4.1Å; F237-W256 HydrophobicContact CB-CH2 4.12Å; F237-W256 HydrophobicContact CD1-CH2 4.1Å; F237-W256 AromaticContact CD1-CZ2 3.66Å; F237-W256 HydrophobicContact CD1-CZ2 3.66Å; F237-W256 AromaticContact CD2-CH2 3.87Å; F237-W256 HydrophobicContact CD2-CH2 3.87Å; F237-W256 HydrophobicContact CD2-CZ2 4.07Å; F237-W256 HydrophobicContact CE1-CH2 4.49Å; F237-W256 AromaticContact CE1-CZ2 3.76Å; F237-W256 HydrophobicContact CE1-CZ2 3.76Å; F237-W256 HydrophobicContact CE2-CH2 4.25Å; F237-W256 HydrophobicContact CE2-CZ2 4.13Å; F237-W256 AromaticContact CG-CH2 3.75Å; F237-W256 HydrophobicContact CG-CH2 3.75Å; F237-W256 AromaticContact CG-CZ2 3.81Å; F237-W256 HydrophobicContact CG-CZ2 3.81Å; F237-W256 AromaticContact CZ-CZ2 3.98Å; F237-W256 HydrophobicContact CZ-CZ2 3.98Å; C245-W256 WeakPolarHBondContact CA-O 3.24Å; T246-W256 HydrophobicContact CG2-CZ2 4.31Å; T246-W256 PolarHBondContact N-O 3Å; T246-W256 PolarHBondContact O-N 3.33Å; E248-W256 PolarHBondContact O-NE1 3.08Å; W256-Y263 AromaticContact CH2-CD1 3.95Å; W256-Y263 HydrophobicContact CH2-CD1 3.95Å; W256-Y263 HydrophobicContact CH2-CD2 4.17Å; W256-Y263 AromaticContact CH2-CE1 4Å; W256-Y263 HydrophobicContact CH2-CE1 4Å; W256-Y263 HydrophobicContact CH2-CE2 4.27Å; W256-Y263 AromaticContact CH2-CG 3.99Å; W256-Y263 HydrophobicContact CH2-CG 3.99Å; W256-Y263 HydrophobicContact CZ3-CD1 4.42Å; W256-Y263 AromaticContact CZ3-CD2 3.79Å; W256-Y263 HydrophobicContact CZ3-CD2 3.79Å; W256-Y263 HydrophobicContact CZ3-CE1 4.48Å; W256-Y263 AromaticContact CZ3-CE2 3.93Å; W256-Y263 HydrophobicContact CZ3-CE2 3.93Å; W256-Y263 HydrophobicContact CZ3-CG 4.04Å; W256-Y269 HydrophobicContact CE3-CD2 4.09Å; W256-Y269 HydrophobicContact CE3-CG 4.27Å; W256-G270 WeakPolarHBondContact CA-O 3.02Å; W256-G270 WeakPolarHBondContact CB-O 3.3Å; W256-F271 HydrophobicContact CB-CD1 4.04Å; W256-F271 HydrophobicContact CB-CE1 4.47Å; W256-C272 VanDerWaalsContact C-SG 3.58Å
257	C	96.1	Very high	92.4	Very high	0 Å²	0	58.4 Å²	58.4	0%	0	32%	0.322	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-142.6	158.2	175.2	71.3	0	0	0	0	110.5	T221 C231 F233 F235 Y269 G270	T221-C257 WeakPolarHBondContact CG2-SG 3.48Å; C231-C257 WeakPolarHBondContact CA-SG 3.02Å; C231-C257 HydrophobicContact CB-CB 3.67Å; C231-C257 WeakPolarHBondContact CB-SG 3.47Å; C231-C257 WeakPolarHBondContact SG-CB 3.39Å; C231-C257 CovalentContact SG-SG 2Å; C231-C257 PolarHBondContact SG-SG 3.09Å; F233-C257 HydrophobicContact CE1-CB 4.19Å; F233-C257 HydrophobicContact CZ-CB 4.28Å; F235-C257 HydrophobicContact CE1-CB 3.88Å; F235-C257 HydrophobicContact CZ-CB 4.36Å; C257-Y269 WeakPolarHBondContact O-CA 3.03Å; C257-Y269 VanDerWaalsContact O-CB 3.31Å; C257-Y269 WeakPolarHBondContact O-CB 3.3Å; C257-G270 PolarHBondContact N-O 3.09Å; C257-G270 VanDerWaalsContact N-O 3.09Å; C257-G270 PolarHBondContact O-N 2.85Å
258	A	96.8	Very high	92.7	Very high	0 Å²	0	59.9 Å²	59.9	0%	0	32%	0.324	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-80.6	149.4	165.6	0	0	0	0	0	110.8	H232 F235 T260 Y263 K268	H232-A258 PolarHBondContact N-O 2.98Å; F235-A258 HydrophobicContact CB-CB 3.66Å; F235-A258 HydrophobicContact CD1-CB 4.18Å; F235-A258 HydrophobicContact CD2-CB 3.36Å; F235-A258 HydrophobicContact CE2-CB 3.99Å; F235-A258 HydrophobicContact CG-CB 3.47Å; F235-A258 VanDerWaalsContact CG-CB 3.47Å; A258-T260 VanDerWaalsContact C-N 3.34Å; A258-T260 WeakPolarHBondContact CB-O 3.35Å; A258-Y263 HydrophobicContact CB-CD2 4.26Å; A258-Y263 HydrophobicContact CB-CG 4.42Å; A258-K268 WeakPolarHBondContact CA-O 3.45Å
259	T	95.8	Very high	92.9	Very high	26 Å²	26	59.2 Å²	59.2	16%	0.16	32%	0.319	C	S	.	.	S	Bend	trans	-99.9	11.8	174.4	63	0	0	0	0	112.4	T221 A226 A229 M230 K268	T221-T259 HydrophobicContact CG2-CG2 3.79Å; A226-T259 HydrophobicContact CB-CG2 3.51Å; A226-T259 WeakPolarHBondContact CB-OG1 3.36Å; A229-T259 HydrophobicContact CB-CG2 3.94Å; M230-T259 WeakPolarHBondContact O-CB 3.49Å; M230-T259 WeakPolarHBondContact O-CG2 3.06Å; T259-K268 PolarHBondContact N-O 3.03Å; T259-K268 WeakPolarHBondContact OG1-CB 3.29Å
260	T	95.4	Very high	93.3	Very high	34 Å²	34	56 Å²	56	21%	0.209	29%	0.286	C	S	.	.	S	Bend	trans	-141.1	161.1	179.3	51.8	0	0	0	0	108.8	F235 A258 D262 D266 K268	F235-T260 WeakPolarHBondContact CB-O 3.25Å; A258-T260 VanDerWaalsContact C-N 3.34Å; A258-T260 WeakPolarHBondContact CB-O 3.35Å; T260-D262 VanDerWaalsContact C-N 3.25Å; T260-D262 PolarHBondContact O-N 3.07Å; T260-D266 WeakPolarHBondContact CB-OD2 3.35Å; T260-D266 HydrophobicContact CG2-CB 4.14Å; T260-D266 WeakPolarHBondContact OG1-CB 3.23Å; T260-D266 PolarHBondContact OG1-OD2 3.04Å; T260-K268 HydrophobicContact CG2-CB 4.18Å
261	A	95.2	Very high	93.6	Very high	52 Å²	52	53.5 Å²	53.5	43%	0.43	28%	0.277	S	S	.	.	S	Bend	trans	-65.4	-26.7	-177.2	0	0	0	0	0	113.9	F235 T236	F235-A261 CarbonylContact C-O 3.56Å; F235-A261 WeakPolarHBondContact CA-O 3.43Å; T236-A261 PolarHBondContact N-O 3.11Å
262	D	95.9	Very high	93.8	Very high	60 Å²	60	46.7 Å²	46.7	32%	0.321	24%	0.235	S	C	.	.	B	Isolated β-bridge	trans	-132.4	95.8	-176.3	-175.1	-15.9	0	0	0	110.2	T260 D264 K265 D266	T260-D262 VanDerWaalsContact C-N 3.25Å; T260-D262 PolarHBondContact O-N 3.07Å; D262-D264 VanDerWaalsContact C-N 3.27Å; D262-D264 PolarHBondContact O-N 3.21Å; D262-D264 WeakPolarHBondContact OD1-CA 3.28Å; D262-D264 WeakPolarHBondContact OD1-CB 3.48Å; D262-D264 PolarHBondContact OD1-N 3.1Å; D262-K265 HydrophobicContact CB-CB 4.25Å; D262-K265 PolarHBondContact O-N 2.66Å; D262-K265 PolarHBondContact OD1-N 2.95Å; D262-D266 WeakPolarHBondContact O-CB 3.43Å; D262-D266 PolarHBondContact O-N 3.31Å
263	Y	95.6	Very high	94.1	Very high	41 Å²	41	44.4 Å²	44.4	16%	0.161	22%	0.224	C	C	.	.	H	α-helix	trans	-68.1	-31	175.3	176.4	-94	0	0	0	112	T236 F237 W256 A258 K265 K267 Y269	T236-Y263 WeakPolarHBondContact O-CB 3.28Å; T236-Y263 PolarHBondContact O-N 3.11Å; F237-Y263 AromaticContact CD2-CD1 3.45Å; F237-Y263 HydrophobicContact CD2-CD1 3.45Å; F237-Y263 VanDerWaalsContact CD2-CD1 3.45Å; F237-Y263 AromaticContact CD2-CE1 3.72Å; F237-Y263 HydrophobicContact CD2-CE1 3.72Å; F237-Y263 HydrophobicContact CD2-CG 4.48Å; F237-Y263 HydrophobicContact CE2-CD1 4.04Å; F237-Y263 AromaticContact CE2-CE1 3.8Å; F237-Y263 HydrophobicContact CE2-CE1 3.8Å; F237-Y263 HydrophobicContact CG-CD1 4.36Å; W256-Y263 AromaticContact CH2-CD1 3.95Å; W256-Y263 HydrophobicContact CH2-CD1 3.95Å; W256-Y263 HydrophobicContact CH2-CD2 4.17Å; W256-Y263 AromaticContact CH2-CE1 4Å; W256-Y263 HydrophobicContact CH2-CE1 4Å; W256-Y263 HydrophobicContact CH2-CE2 4.27Å; W256-Y263 AromaticContact CH2-CG 3.99Å; W256-Y263 HydrophobicContact CH2-CG 3.99Å; W256-Y263 HydrophobicContact CZ3-CD1 4.42Å; W256-Y263 AromaticContact CZ3-CD2 3.79Å; W256-Y263 HydrophobicContact CZ3-CD2 3.79Å; W256-Y263 HydrophobicContact CZ3-CE1 4.48Å; W256-Y263 AromaticContact CZ3-CE2 3.93Å; W256-Y263 HydrophobicContact CZ3-CE2 3.93Å; W256-Y263 HydrophobicContact CZ3-CG 4.04Å; A258-Y263 HydrophobicContact CB-CD2 4.26Å; A258-Y263 HydrophobicContact CB-CG 4.42Å; Y263-K265 PolarHBondContact O-N 2.67Å; Y263-K267 HydrophobicContact CD1-CD 4.49Å; Y263-K267 HydrophobicContact CE1-CD 4.14Å; Y263-K267 WeakPolarHBondContact O-CA 3.27Å; Y263-K267 VanDerWaalsContact O-CD 3.3Å; Y263-K267 WeakPolarHBondContact O-CD 3.25Å; Y263-K267 PolarHBondContact O-N 3.44Å; Y263-K267 PolarHBondContact O-NZ 2.71Å; Y263-Y269 AromaticContact CE2-CD1 3.89Å; Y263-Y269 HydrophobicContact CE2-CD1 3.89Å; Y263-Y269 HydrophobicContact CE2-CG 4Å
264	D	92.7	Very high	94.5	Very high	58 Å²	58	39.2 Å²	39.2	31%	0.31	20%	0.196	S	C	.	.	H	α-helix	trans	-60.6	-31.1	-179.1	-67.4	-31.5	0	0	0	111.3	E238 G239 D262 K267	E238-D264 WeakPolarHBondContact CA-OD2 3.46Å; E238-D264 VanDerWaalsContact N-CG 3.32Å; E238-D264 PolarHBondContact N-OD1 3.26Å; E238-D264 PolarHBondContact N-OD2 2.87Å; G239-D264 PolarHBondContact N-OD2 3.34Å; D262-D264 VanDerWaalsContact C-N 3.27Å; D262-D264 PolarHBondContact O-N 3.21Å; D262-D264 WeakPolarHBondContact OD1-CA 3.28Å; D262-D264 WeakPolarHBondContact OD1-CB 3.48Å; D262-D264 PolarHBondContact OD1-N 3.1Å; D264-K267 WeakPolarHBondContact O-CE 3.22Å; D264-K267 PolarHBondContact O-NZ 2.8Å
265	K	95	Very high	94.5	Very high	159 Å²	159	39 Å²	39	69%	0.691	20%	0.195	S	C	*	.	H	α-helix	trans	-89.7	-55.5	173.1	-174.9	-173.2	173.2	-167.2	0	113.9	D262 Y263	D262-K265 HydrophobicContact CB-CB 4.25Å; D262-K265 PolarHBondContact O-N 2.66Å; D262-K265 PolarHBondContact OD1-N 2.95Å; Y263-K265 PolarHBondContact O-N 2.67Å
266	D	95.6	Very high	94.4	Very high	70 Å²	70	41.8 Å²	41.8	37%	0.374	21%	0.209	S	C	.	.	H	α-helix	trans	-87.4	-22.9	-163.4	-63.8	-26	0	0	0	112.8	T260 D262 K268	T260-D266 WeakPolarHBondContact CB-OD2 3.35Å; T260-D266 HydrophobicContact CG2-CB 4.14Å; T260-D266 WeakPolarHBondContact OG1-CB 3.23Å; T260-D266 PolarHBondContact OG1-OD2 3.04Å; D262-D266 WeakPolarHBondContact O-CB 3.43Å; D262-D266 PolarHBondContact O-N 3.31Å; D266-K268 PolarHBondContact O-N 3.42Å
267	K	95.3	Very high	94.1	Very high	95 Å²	95	42.6 Å²	42.6	41%	0.413	21%	0.213	S	C	.	.			trans	53.8	25.9	179.3	-54.8	-67.6	169.9	-156.1	0	114.1	N225 Y263 D264	N225-K267 PolarHBondContact ND2-O 2.68Å; N225-K267 PolarHBondContact OD1-O 2.98Å; Y263-K267 HydrophobicContact CD1-CD 4.49Å; Y263-K267 HydrophobicContact CE1-CD 4.14Å; Y263-K267 WeakPolarHBondContact O-CA 3.27Å; Y263-K267 VanDerWaalsContact O-CD 3.3Å; Y263-K267 WeakPolarHBondContact O-CD 3.25Å; Y263-K267 PolarHBondContact O-N 3.44Å; Y263-K267 PolarHBondContact O-NZ 2.71Å; D264-K267 WeakPolarHBondContact O-CE 3.22Å; D264-K267 PolarHBondContact O-NZ 2.8Å
268	K	97.2	Very high	93.9	Very high	90 Å²	90	43.9 Å²	43.9	39%	0.391	22%	0.219	S	C	.	.			trans	-96.6	119.1	177.2	-72.4	-66.6	-174.5	172.4	0	110.6	N225 A258 T259 T260 D266	N225-K268 PolarHBondContact O-NZ 2.97Å; N225-K268 WeakPolarHBondContact OD1-CA 3.32Å; A258-K268 WeakPolarHBondContact CA-O 3.45Å; T259-K268 PolarHBondContact N-O 3.03Å; T259-K268 WeakPolarHBondContact OG1-CB 3.29Å; T260-K268 HydrophobicContact CG2-CB 4.18Å; D266-K268 PolarHBondContact O-N 3.42Å
269	Y	96.3	Very high	93.6	Very high	53 Å²	53	44 Å²	44	21%	0.208	22%	0.22	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-151	165.2	-176.5	82.3	-74.7	0	0	0	112.5	N225 A226 W256 C257 Y263 F271	N225-Y269 PolarHBondContact N-O 2.92Å; N225-Y269 VanDerWaalsContact N-O 3.11Å; N225-Y269 PolarHBondContact OD1-N 2.83Å; N225-Y269 PolarHBondContact OD1-O 3.17Å; A226-Y269 VanDerWaalsContact CB-O 3.28Å; A226-Y269 WeakPolarHBondContact CB-O 3.32Å; A226-Y269 PolarHBondContact N-O 3.37Å; W256-Y269 HydrophobicContact CE3-CD2 4.09Å; W256-Y269 HydrophobicContact CE3-CG 4.27Å; C257-Y269 WeakPolarHBondContact O-CA 3.03Å; C257-Y269 VanDerWaalsContact O-CB 3.31Å; C257-Y269 WeakPolarHBondContact O-CB 3.3Å; Y263-Y269 AromaticContact CE2-CD1 3.89Å; Y263-Y269 HydrophobicContact CE2-CD1 3.89Å; Y263-Y269 HydrophobicContact CE2-CG 4Å; Y269-F271 HydrophobicContact CE2-CE1 4.47Å; Y269-F271 HydrophobicContact CE2-CE2 4.43Å; Y269-F271 HydrophobicContact CE2-CZ 4.15Å
270	G	95.7	Very high	93.3	Very high	0 Å²	0	44 Å²	44	0%	0	22%	0.218	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-154.4	178.5	161.3	0	0	0	0	0	111.1	W256 C257	W256-G270 WeakPolarHBondContact CA-O 3.02Å; W256-G270 WeakPolarHBondContact CB-O 3.3Å; C257-G270 PolarHBondContact N-O 3.09Å; C257-G270 VanDerWaalsContact N-O 3.09Å; C257-G270 PolarHBondContact O-N 2.85Å
271	F	94.4	Very high	92.8	Very high	22 Å²	22	46.5 Å²	46.5	10%	0.096	23%	0.23	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-86.3	143.2	-178.1	-60.7	-75.2	0	0	0	111	T221 Y222 F223 R250 L254 P255 W256 Y269 L277	T221-F271 CarbonylContact C-O 3.57Å; T221-F271 VanDerWaalsContact CA-O 3.27Å; T221-F271 WeakPolarHBondContact CA-O 3.49Å; Y222-F271 PolarHBondContact N-O 2.6Å; Y222-F271 WeakPolarHBondContact O-CB 3.15Å; Y222-F271 WeakPolarHBondContact O-CD2 3.37Å; Y222-F271 PolarHBondContact O-N 3.4Å; F223-F271 HydrophobicContact CB-CD2 4Å; F223-F271 HydrophobicContact CB-CE2 4.36Å; F223-F271 HydrophobicContact CD2-CD2 4.46Å; R250-F271 VanDerWaalsContact CZ-CE1 3.41Å; L254-F271 HydrophobicContact CB-CD1 3.95Å; L254-F271 HydrophobicContact CB-CE1 4.12Å; L254-F271 HydrophobicContact CD1-CE1 4.4Å; P255-F271 CarbonylContact O-C 3.25Å; P255-F271 WeakPolarHBondContact O-CA 3.34Å; W256-F271 HydrophobicContact CB-CD1 4.04Å; W256-F271 HydrophobicContact CB-CE1 4.47Å; Y269-F271 HydrophobicContact CE2-CE1 4.47Å; Y269-F271 HydrophobicContact CE2-CE2 4.43Å; Y269-F271 HydrophobicContact CE2-CZ 4.15Å; F271-L277 HydrophobicContact CB-CD1 3.56Å; F271-L277 HydrophobicContact CG-CD1 4.44Å
272	C	93.1	Very high	92.4	Very high	2 Å²	2	45.2 Å²	45.2	1%	0.014	22%	0.222	C	C	.	.	P	Polyproline II helix	trans	-79.3	158.2	175.2	-57.7	0	0	0	0	110.5	V219 C245 P255 W256 S274 L277	V219-C272 HydrophobicContact CG1-CB 3.89Å; C245-C272 HydrophobicContact CB-CB 3.69Å; C245-C272 WeakPolarHBondContact CB-SG 3.04Å; C245-C272 WeakPolarHBondContact SG-CB 3.39Å; C245-C272 CovalentContact SG-SG 2.01Å; C245-C272 PolarHBondContact SG-SG 2.72Å; P255-C272 HydrophobicContact CB-CB 4.14Å; P255-C272 HydrophobicContact CG-CB 4.2Å; P255-C272 PolarHBondContact O-N 2.93Å; W256-C272 VanDerWaalsContact C-SG 3.58Å; C272-S274 PolarHBondContact O-N 3.48Å; C272-L277 VanDerWaalsContact O-CD1 3.31Å; C272-L277 WeakPolarHBondContact O-CD1 3.28Å
273	P	90.4	Very high	92.3	Very high	20 Å²	20	45.4 Å²	45.4	13%	0.13	22%	0.223	C	C	.	.	P	Polyproline II helix	trans	-50.8	129.1	174.9	-26.8	35.8	0	0	0	111.5	V219 Y222 F278 P331	V219-P273 VanDerWaalsContact CG1-CD 3.42Å; V219-P273 HydrophobicContact CG1-CG 4.36Å; Y222-P273 HydrophobicContact CD2-CG 4.39Å; Y222-P273 HydrophobicContact CE2-CG 4.19Å; P273-F278 HydrophobicContact CB-CE1 4.05Å; P273-F278 HydrophobicContact CB-CZ 4.18Å; P273-P331 HydrophobicContact CB-CB 3.93Å; P273-P331 HydrophobicContact CB-CG 4.17Å
274	S	90.2	Very high	92.1	Very high	0 Å²	0	43.9 Å²	43.9	0%	0	22%	0.219	C	C	.	.			trans	-154.8	144.2	177	175.8	0	0	0	0	109.5	C272 L276 L277 F278	C272-S274 PolarHBondContact O-N 3.48Å; S274-L276 PolarHBondContact O-N 3.3Å; S274-L276 VanDerWaalsContact O-N 3.08Å; S274-L276 PolarHBondContact OG-N 3.25Å; S274-L277 WeakPolarHBondContact O-CB 3.24Å; S274-L277 PolarHBondContact O-N 3.48Å; S274-F278 PolarHBondContact O-N 2.68Å
275	E	89.9	Confident	92	Very high	20 Å²	20	48.5 Å²	48.5	9%	0.093	24%	0.243	C	C	.	.	T	Hydrogen-bonded Turn	trans	-49.4	-24.5	167.9	69.8	-84.5	-154.2	0	0	113.6	L277 C289 F291 C303 C330 R333	E275-L277 VanDerWaalsContact C-N 3.35Å; E275-C289 HydrophobicContact CB-CB 4.47Å; E275-C289 VanDerWaalsContact CB-SG 3.59Å; E275-C289 WeakPolarHBondContact O-CB 3.48Å; E275-C289 PolarHBondContact O-N 2.9Å; E275-C289 PolarHBondContact O-SG 3.38Å; E275-C289 VanDerWaalsContact O-SG 3.36Å; E275-F291 HydrophobicContact CG-CE2 3.81Å; E275-F291 HydrophobicContact CG-CZ 4.07Å; E275-C303 VanDerWaalsContact CB-SG 3.52Å; E275-C330 HydrophobicContact CB-CB 4.11Å; E275-R333 IonicContact OE1-CZ 3.48Å; E275-R333 IonicContact OE1-NE 3.65Å; E275-R333 IonicContact OE1-NH2 2.81Å; E275-R333 PolarHBondContact OE1-NH2 3.39Å; E275-R333 IonicContact OE2-NE 3.65Å; E275-R333 IonicContact OE2-NH2 3.47Å
276	L	90.5	Very high	91.7	Very high	67 Å²	67	42.5 Å²	42.5	35%	0.351	23%	0.227	S	C	.	.	T	Hydrogen-bonded Turn	trans	-79.4	-15.3	176	-60.3	178.9	0	0	0	113.7	L254 S274 P288 F291	L254-L276 HydrophobicContact CD2-CB 3.65Å; L254-L276 HydrophobicContact CD2-CD1 4.02Å; L254-L276 HydrophobicContact CD2-CG 4.49Å; S274-L276 PolarHBondContact O-N 3.3Å; S274-L276 VanDerWaalsContact O-N 3.08Å; S274-L276 PolarHBondContact OG-N 3.25Å; L276-P288 WeakPolarHBondContact O-CB 2.91Å; L276-F291 HydrophobicContact CD2-CD2 3.85Å; L276-F291 HydrophobicContact CD2-CE2 3.91Å
277	L	90	Very high	91.6	Very high	25 Å²	25	40.9 Å²	40.9	13%	0.131	22%	0.223	C	C	.	.	T	Hydrogen-bonded Turn	trans	-104.2	-43.4	-178.3	-62.6	176.9	0	0	0	111.8	F223 L254 F271 C272 S274 E275	F223-L277 HydrophobicContact CD2-CD2 4.18Å; F223-L277 HydrophobicContact CE2-CB 4.35Å; F223-L277 HydrophobicContact CE2-CD2 4Å; L254-L277 HydrophobicContact CD1-CD2 4Å; L254-L277 HydrophobicContact CD2-CD2 3.67Å; L254-L277 HydrophobicContact CD2-CG 3.88Å; L254-L277 HydrophobicContact CG-CD2 4.49Å; F271-L277 HydrophobicContact CB-CD1 3.56Å; F271-L277 HydrophobicContact CG-CD1 4.44Å; C272-L277 VanDerWaalsContact O-CD1 3.31Å; C272-L277 WeakPolarHBondContact O-CD1 3.28Å; S274-L277 WeakPolarHBondContact O-CB 3.24Å; S274-L277 PolarHBondContact O-N 3.48Å; E275-L277 VanDerWaalsContact C-N 3.35Å
278	F	90.8	Very high	91.6	Very high	27 Å²	27	39.1 Å²	39.1	12%	0.118	22%	0.221	C	C	.	.			trans	-158.6	163.4	179.9	73.4	-79.2	0	0	0	110.8	Y222 P273 S274 F280 G286 P331	Y222-F278 AromaticContact CD1-CD1 3.99Å; Y222-F278 HydrophobicContact CD1-CD1 3.99Å; Y222-F278 HydrophobicContact CD1-CE1 4.11Å; Y222-F278 AromaticContact CD2-CE1 3.95Å; Y222-F278 HydrophobicContact CD2-CE1 3.95Å; Y222-F278 AromaticContact CE1-CD1 3.65Å; Y222-F278 HydrophobicContact CE1-CD1 3.65Å; Y222-F278 AromaticContact CE1-CE1 3.63Å; Y222-F278 HydrophobicContact CE1-CE1 3.63Å; Y222-F278 HydrophobicContact CE1-CG 4.19Å; Y222-F278 HydrophobicContact CE1-CZ 4.16Å; Y222-F278 HydrophobicContact CE2-CD1 4.31Å; Y222-F278 AromaticContact CE2-CE1 3.48Å; Y222-F278 HydrophobicContact CE2-CE1 3.48Å; Y222-F278 VanDerWaalsContact CE2-CE1 3.48Å; Y222-F278 AromaticContact CE2-CZ 3.84Å; Y222-F278 HydrophobicContact CE2-CZ 3.84Å; Y222-F278 HydrophobicContact CG-CD1 4.42Å; Y222-F278 HydrophobicContact CG-CE1 4.26Å; Y222-F278 AromaticContact CZ-CD1 3.83Å; Y222-F278 AromaticContact CZ-CE1 3.28Å; Y222-F278 AromaticContact CZ-CZ 3.5Å; Y222-F278 VanDerWaalsContact CZ-CZ 3.5Å; Y222-F278 VanDerWaalsContact OH-CZ 3.29Å; Y222-F278 WeakPolarHBondContact OH-CZ 3.44Å; P273-F278 HydrophobicContact CB-CE1 4.05Å; P273-F278 HydrophobicContact CB-CZ 4.18Å; S274-F278 PolarHBondContact O-N 2.68Å; F278-F280 HydrophobicContact CE2-CB 4.41Å; F278-G286 WeakPolarHBondContact CA-O 3.48Å; F278-G286 WeakPolarHBondContact CB-O 3.45Å; F278-P331 HydrophobicContact CE1-CG 4.15Å; F278-P331 HydrophobicContact CE2-CB 4.43Å; F278-P331 HydrophobicContact CE2-CG 4.32Å; F278-P331 HydrophobicContact CZ-CB 3.97Å; F278-P331 HydrophobicContact CZ-CG 3.89Å
279	T	91.6	Very high	91.5	Very high	2 Å²	2	35.4 Å²	35.4	1%	0.012	21%	0.206	C	C	.	.			trans	-115.6	159.7	161.2	54.9	0	0	0	0	109.1	G286 A287 C315 T317 F329	T279-G286 PolarHBondContact N-O 2.75Å; T279-G286 VanDerWaalsContact O-CA 3.3Å; T279-G286 WeakPolarHBondContact O-CA 3.38Å; T279-A287 WeakPolarHBondContact CB-O 2.93Å; T279-A287 WeakPolarHBondContact CG2-O 3.43Å; T279-A287 PolarHBondContact N-O 2.83Å; T279-A287 PolarHBondContact OG1-O 3.48Å; T279-C315 WeakPolarHBondContact CG2-SG 3.3Å; T279-T317 HydrophobicContact CG2-CG2 4.2Å; T279-F329 CarbonylContact C-O 3.29Å; T279-F329 VanDerWaalsContact CA-O 3.25Å; T279-F329 WeakPolarHBondContact CA-O 3.4Å; T279-F329 VanDerWaalsContact CB-O 3.31Å; T279-F329 WeakPolarHBondContact CB-O 3.37Å
280	F	88.4	Confident	91.5	Very high	26 Å²	26	34.9 Å²	34.9	11%	0.114	21%	0.209	C	C	.	.	B	Isolated β-bridge	trans	-115.3	155.1	172.2	69.5	-85.8	0	0	0	110.7	P131 F278 F329 P331	P131-F280 HydrophobicContact CB-CE1 4.19Å; P131-F280 HydrophobicContact CB-CZ 3.86Å; F278-F280 HydrophobicContact CE2-CB 4.41Å; F280-F329 HydrophobicContact CD1-CB 4.2Å; F280-F329 WeakPolarHBondContact CD1-O 3.2Å; F280-F329 HydrophobicContact CD2-CB 4.26Å; F280-F329 HydrophobicContact CE1-CB 3.81Å; F280-F329 HydrophobicContact CE2-CB 3.89Å; F280-F329 HydrophobicContact CG-CB 4.41Å; F280-F329 HydrophobicContact CZ-CB 3.64Å; F280-F329 PolarHBondContact N-O 3.3Å; F280-F329 WeakPolarHBondContact O-CB 3.19Å; F280-F329 PolarHBondContact O-N 2.9Å; F280-P331 HydrophobicContact CD1-CB 4.48Å
281	D	85.1	Confident	91.4	Very high	88 Å²	88	37.6 Å²	37.6	47%	0.471	22%	0.221	S	C	.	.	S	Bend	trans	51.5	-156.8	-176.3	-164.7	-5.2	0	0	0	111.4	F329	D281-F329 HydrophobicContact CB-CD2 3.93Å; D281-F329 HydrophobicContact CB-CE2 4.38Å
282	G	87.9	Confident	91.5	Very high	25 Å²	25	39.1 Å²	39.1	26%	0.258	23%	0.233	S	C	.	.	T	Hydrogen-bonded Turn	trans	70.8	-149.3	-173.7	0	0	0	0	0	112
283	N	92.4	Very high	91.7	Very high	63 Å²	63	39 Å²	39	34%	0.337	23%	0.232	S	C	.	.	T	Hydrogen-bonded Turn	trans	-127.3	14.8	-174.5	69	6.3	0	0	0	113.4	K325 K326 Y327	N283-K325 PolarHBondContact ND2-O 3.04Å; N283-K325 PolarHBondContact OD1-O 3.05Å; N283-K326 WeakPolarHBondContact O-CD 3.39Å; N283-K326 PolarHBondContact O-NZ 2.84Å; N283-K326 WeakPolarHBondContact OD1-CA 3.41Å; N283-Y327 PolarHBondContact N-O 3.31Å; N283-Y327 WeakPolarHBondContact OD1-CD1 3.27Å; N283-Y327 PolarHBondContact OD1-N 3.07Å; N283-Y327 PolarHBondContact OD1-O 3.15Å
284	A	92.8	Very high	92	Very high	10 Å²	10	39.3 Å²	39.3	8%	0.083	23%	0.234	C	C	.	.	S	Bend	trans	-102	5.7	-177.5	0	0	0	0	0	114	G286 A287 T317 Y327	A284-G286 PolarHBondContact O-N 3.24Å; A284-G286 VanDerWaalsContact O-N 3.15Å; A284-A287 HydrophobicContact CB-CB 4.24Å; A284-A287 VanDerWaalsContact O-CB 3.31Å; A284-A287 WeakPolarHBondContact O-CB 3.2Å; A284-A287 PolarHBondContact O-N 2.88Å; A284-T317 HydrophobicContact CB-CG2 3.47Å; A284-T317 VanDerWaalsContact CB-CG2 3.47Å; A284-T317 VanDerWaalsContact CB-OG1 3.25Å; A284-T317 WeakPolarHBondContact CB-OG1 3.47Å; A284-Y327 VanDerWaalsContact CB-O 3.26Å; A284-Y327 WeakPolarHBondContact CB-O 3.33Å; A284-Y327 PolarHBondContact N-O 3.18Å
285	D	88.8	Confident	92.3	Very high	154 Å²	154	40.3 Å²	40.3	82%	0.824	24%	0.238	S	C	*	.	T	Hydrogen-bonded Turn	trans	52.1	38.3	173.3	-55.9	-47.4	0	0	0	113.7
286	G	88.9	Confident	92.6	Very high	34 Å²	34	45.3 Å²	45.3	35%	0.351	27%	0.265	S	S	.	.	T	Hydrogen-bonded Turn	trans	87.7	3.9	177.8	0	0	0	0	0	115.9	F278 T279 A284	F278-G286 WeakPolarHBondContact CA-O 3.48Å; F278-G286 WeakPolarHBondContact CB-O 3.45Å; T279-G286 PolarHBondContact N-O 2.75Å; T279-G286 VanDerWaalsContact O-CA 3.3Å; T279-G286 WeakPolarHBondContact O-CA 3.38Å; A284-G286 PolarHBondContact O-N 3.24Å; A284-G286 VanDerWaalsContact O-N 3.15Å
287	A	94.1	Very high	92.7	Very high	35 Å²	35	44.9 Å²	44.9	29%	0.289	28%	0.276	S	S	.	.	P	Polyproline II helix	trans	-59.9	143.2	178.5	0	0	0	0	0	111.9	T279 A284 T317	T279-A287 WeakPolarHBondContact CB-O 2.93Å; T279-A287 WeakPolarHBondContact CG2-O 3.43Å; T279-A287 PolarHBondContact N-O 2.83Å; T279-A287 PolarHBondContact OG1-O 3.48Å; A284-A287 HydrophobicContact CB-CB 4.24Å; A284-A287 VanDerWaalsContact O-CB 3.31Å; A284-A287 WeakPolarHBondContact O-CB 3.2Å; A284-A287 PolarHBondContact O-N 2.88Å; A287-T317 HydrophobicContact CB-CG2 4.09Å; A287-T317 WeakPolarHBondContact O-CG2 3.42Å
288	P	94.9	Very high	93	Very high	58 Å²	58	48.6 Å²	48.6	38%	0.377	30%	0.296	S	S	.	.	P	Polyproline II helix	trans	-68.1	159.4	176.9	29.2	-35.3	0	0	0	111.6	L276 T317	L276-P288 WeakPolarHBondContact O-CB 2.91Å; P288-T317 WeakPolarHBondContact O-CB 3.13Å
289	C	95.4	Very high	93.2	Very high	12 Å²	12	54.6 Å²	54.6	8%	0.081	32%	0.322	C	S	.	.	P	Polyproline II helix	trans	-63.3	148.5	173.1	-59.1	0	0	0	0	111.8	E275 F291 C315	E275-C289 HydrophobicContact CB-CB 4.47Å; E275-C289 VanDerWaalsContact CB-SG 3.59Å; E275-C289 WeakPolarHBondContact O-CB 3.48Å; E275-C289 PolarHBondContact O-N 2.9Å; E275-C289 PolarHBondContact O-SG 3.38Å; E275-C289 VanDerWaalsContact O-SG 3.36Å; C289-F291 HydrophobicContact CB-CD2 4.26Å; C289-F291 HydrophobicContact CB-CE1 4.02Å; C289-F291 HydrophobicContact CB-CE2 3.55Å; C289-F291 HydrophobicContact CB-CZ 3.41Å; C289-F291 VanDerWaalsContact CB-CZ 3.41Å; C289-C315 WeakPolarHBondContact CA-SG 3.47Å; C289-C315 HydrophobicContact CB-CB 3.64Å; C289-C315 WeakPolarHBondContact CB-SG 3.3Å; C289-C315 WeakPolarHBondContact SG-CB 3.28Å; C289-C315 CovalentContact SG-SG 1.99Å; C289-C315 PolarHBondContact SG-SG 3.3Å
290	V	96.4	Very high	93.3	Very high	42 Å²	42	56.4 Å²	56.4	26%	0.255	33%	0.329	S	S	.	.			trans	-111.3	119.3	172.3	175	0	0	0	0	108.5	P292 F293 A316 T317 N319	V290-P292 CarbonylContact O-C 3.52Å; V290-F293 WeakPolarHBondContact O-CB 3.4Å; V290-F293 PolarHBondContact O-N 3.01Å; V290-A316 PolarHBondContact N-O 2.91Å; V290-T317 VanDerWaalsContact CG2-C 3.5Å; V290-T317 WeakPolarHBondContact CG2-O 3.18Å; V290-N319 WeakPolarHBondContact CG1-OD1 3.05Å
291	F	94.3	Very high	93.5	Very high	58 Å²	58	60.8 Å²	60.8	25%	0.254	35%	0.354	S	S	.	.	S	Bend	trans	-117	137.4	179.5	-61	-56.5	0	0	0	112	E275 L276 C289 F293 D301 S302 C315	E275-F291 HydrophobicContact CG-CE2 3.81Å; E275-F291 HydrophobicContact CG-CZ 4.07Å; L276-F291 HydrophobicContact CD2-CD2 3.85Å; L276-F291 HydrophobicContact CD2-CE2 3.91Å; C289-F291 HydrophobicContact CB-CD2 4.26Å; C289-F291 HydrophobicContact CB-CE1 4.02Å; C289-F291 HydrophobicContact CB-CE2 3.55Å; C289-F291 HydrophobicContact CB-CZ 3.41Å; C289-F291 VanDerWaalsContact CB-CZ 3.41Å; F291-F293 AromaticContact CD1-CD1 3.98Å; F291-F293 HydrophobicContact CD1-CD1 3.98Å; F291-F293 HydrophobicContact CD1-CE1 4.27Å; F291-F293 HydrophobicContact CE1-CD1 4.04Å; F291-F293 AromaticContact CE1-CE1 3.92Å; F291-F293 HydrophobicContact CE1-CE1 3.92Å; F291-D301 VanDerWaalsContact CD1-C 3.45Å; F291-S302 VanDerWaalsContact CE1-CA 3.41Å; F291-S302 WeakPolarHBondContact CE1-O 3.18Å; F291-C315 HydrophobicContact CE1-CB 4.11Å; F291-C315 HydrophobicContact CZ-CB 4.21Å
292	P	96.1	Very high	93.8	Very high	53 Å²	53	60 Å²	60	34%	0.344	36%	0.355	S	S	.	.	S	Bend	cis	-69.8	149	-13.4	24	-29.7	0	0	0	112.5	V290 K299 Y300 D301	V290-P292 CarbonylContact O-C 3.52Å; P292-K299 HydrophobicContact CB-CB 4.36Å; P292-Y300 CarbonylContact C-O 3.35Å; P292-Y300 WeakPolarHBondContact CA-O 3.28Å; P292-D301 VanDerWaalsContact CB-OD1 3.28Å; P292-D301 WeakPolarHBondContact CB-OD1 3.27Å
293	F	97.3	Very high	94	Very high	0 Å²	0	59.6 Å²	59.6	0%	0	35%	0.348	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-113.6	153.7	165.2	70.6	-89.3	0	0	0	112.3	V290 F291 F295 K299 Y300 T304 W314 C315 A316 T318 N319	V290-F293 WeakPolarHBondContact O-CB 3.4Å; V290-F293 PolarHBondContact O-N 3.01Å; F291-F293 AromaticContact CD1-CD1 3.98Å; F291-F293 HydrophobicContact CD1-CD1 3.98Å; F291-F293 HydrophobicContact CD1-CE1 4.27Å; F291-F293 HydrophobicContact CE1-CD1 4.04Å; F291-F293 AromaticContact CE1-CE1 3.92Å; F291-F293 HydrophobicContact CE1-CE1 3.92Å; F293-F295 HydrophobicContact CD2-CB 4.3Å; F293-F295 HydrophobicContact CE2-CB 3.95Å; F293-K299 WeakPolarHBondContact O-CA 3.33Å; F293-Y300 HydrophobicContact CE2-CD2 4.06Å; F293-Y300 HydrophobicContact CE2-CG 4.31Å; F293-Y300 HydrophobicContact CZ-CD2 4.3Å; F293-Y300 HydrophobicContact CZ-CG 4.08Å; F293-Y300 PolarHBondContact N-O 3.08Å; F293-Y300 PolarHBondContact O-N 2.73Å; F293-T304 HydrophobicContact CZ-CG2 4.08Å; F293-W314 AromaticContact CE2-CH2 3.93Å; F293-W314 HydrophobicContact CE2-CH2 3.93Å; F293-W314 HydrophobicContact CE2-CZ3 4.01Å; F293-W314 HydrophobicContact CZ-CZ3 4.42Å; F293-C315 HydrophobicContact CD1-CB 4.46Å; F293-C315 HydrophobicContact CE1-CB 3.88Å; F293-C315 HydrophobicContact CZ-CB 4.44Å; F293-A316 HydrophobicContact CB-CB 3.53Å; F293-A316 HydrophobicContact CD1-CB 4.13Å; F293-A316 HydrophobicContact CD2-CB 3.42Å; F293-A316 VanDerWaalsContact CD2-CB 3.42Å; F293-A316 HydrophobicContact CE2-CB 4.1Å; F293-A316 HydrophobicContact CG-CB 3.43Å; F293-A316 VanDerWaalsContact CG-CB 3.43Å; F293-T318 WeakPolarHBondContact CB-O 3.12Å; F293-N319 WeakPolarHBondContact CA-O 3.35Å
294	T	97	Very high	93.9	Very high	27 Å²	27	57.7 Å²	57.7	17%	0.166	34%	0.339	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-95.4	130.9	175.2	-62.9	0	0	0	0	112.2	D298 N319 F321	T294-D298 CarbonylContact C-O 3.47Å; T294-D298 VanDerWaalsContact CA-O 3.25Å; T294-D298 WeakPolarHBondContact CA-O 3.4Å; T294-N319 PolarHBondContact N-O 2.56Å; T294-F321 WeakPolarHBondContact O-CB 3.39Å; T294-F321 PolarHBondContact O-N 3.39Å
295	F	96.8	Very high	93.7	Very high	20 Å²	20	60.2 Å²	60.2	9%	0.088	35%	0.353	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-140	127.7	170.7	172.4	-124.3	0	0	0	110	F293 G297 D298 Y300 E306 W314 F321	F293-F295 HydrophobicContact CD2-CB 4.3Å; F293-F295 HydrophobicContact CE2-CB 3.95Å; F295-G297 PolarHBondContact O-N 2.81Å; F295-G297 VanDerWaalsContact O-N 3.09Å; F295-D298 PolarHBondContact N-O 2.98Å; F295-D298 PolarHBondContact O-N 3.49Å; F295-Y300 HydrophobicContact CB-CD2 4.11Å; F295-Y300 HydrophobicContact CB-CE2 3.84Å; F295-Y300 HydrophobicContact CD1-CE2 4.13Å; F295-Y300 HydrophobicContact CG-CE2 4.49Å; F295-E306 HydrophobicContact CD1-CB 4.44Å; F295-E306 HydrophobicContact CD1-CG 4.36Å; F295-E306 HydrophobicContact CE1-CB 4.19Å; F295-E306 HydrophobicContact CE1-CG 3.98Å; F295-W314 HydrophobicContact CB-CH2 4.19Å; F295-W314 HydrophobicContact CD1-CH2 4.19Å; F295-W314 AromaticContact CD1-CZ2 3.73Å; F295-W314 HydrophobicContact CD1-CZ2 3.73Å; F295-W314 AromaticContact CD2-CH2 3.9Å; F295-W314 HydrophobicContact CD2-CH2 3.9Å; F295-W314 HydrophobicContact CD2-CZ2 4.1Å; F295-W314 AromaticContact CE1-CZ2 3.81Å; F295-W314 HydrophobicContact CE1-CZ2 3.81Å; F295-W314 HydrophobicContact CE2-CH2 4.26Å; F295-W314 HydrophobicContact CE2-CZ2 4.15Å; F295-W314 AromaticContact CG-CH2 3.83Å; F295-W314 HydrophobicContact CG-CH2 3.83Å; F295-W314 AromaticContact CG-CZ2 3.87Å; F295-W314 HydrophobicContact CG-CZ2 3.87Å; F295-W314 HydrophobicContact CZ-CZ2 4.01Å; F295-F321 AromaticContact CD2-CD1 3.48Å; F295-F321 HydrophobicContact CD2-CD1 3.48Å; F295-F321 VanDerWaalsContact CD2-CD1 3.48Å; F295-F321 AromaticContact CD2-CE1 3.94Å; F295-F321 HydrophobicContact CD2-CE1 3.94Å; F295-F321 HydrophobicContact CD2-CG 4.34Å; F295-F321 AromaticContact CE2-CD1 3.89Å; F295-F321 HydrophobicContact CE2-CD1 3.89Å; F295-F321 AromaticContact CE2-CE1 3.84Å; F295-F321 HydrophobicContact CE2-CE1 3.84Å; F295-F321 HydrophobicContact CG-CD1 4.49Å
296	L	94.7	Very high	93.7	Very high	126 Å²	126	57.8 Å²	57.8	66%	0.66	34%	0.337	S	S	*	.	T	Hydrogen-bonded Turn	trans	50.6	30.5	-174.6	-61.3	178.4	0	0	0	114	D298 D322	L296-D298 VanDerWaalsContact C-N 3.32Å; L296-D322 VanDerWaalsContact N-CG 3.33Å; L296-D322 PolarHBondContact N-OD1 3.3Å; L296-D322 PolarHBondContact N-OD2 3.01Å
297	G	92.7	Very high	93.5	Very high	57 Å²	57	59 Å²	59	59%	0.588	35%	0.35	S	S	*	.	T	Hydrogen-bonded Turn	trans	85.8	-10.4	-178.2	0	0	0	0	0	115.8	F295 D322	F295-G297 PolarHBondContact O-N 2.81Å; F295-G297 VanDerWaalsContact O-N 3.09Å; G297-D322 PolarHBondContact N-OD2 2.87Å
298	D	95.8	Very high	93.1	Very high	103 Å²	103	61.1 Å²	61.1	55%	0.551	35%	0.35	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-92.5	152.5	176.1	-70.5	-39.2	0	0	0	111.4	T294 F295 L296 Y300	T294-D298 CarbonylContact C-O 3.47Å; T294-D298 VanDerWaalsContact CA-O 3.25Å; T294-D298 WeakPolarHBondContact CA-O 3.4Å; F295-D298 PolarHBondContact N-O 2.98Å; F295-D298 PolarHBondContact O-N 3.49Å; L296-D298 VanDerWaalsContact C-N 3.32Å; D298-Y300 HydrophobicContact CB-CE2 3.85Å
299	K	96.1	Very high	92.1	Very high	153 Å²	153	66.7 Å²	66.7	67%	0.665	38%	0.377	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-102.3	132.9	178	-71.7	-171.6	178	-173.7	0	110.8	P292 F293	P292-K299 HydrophobicContact CB-CB 4.36Å; F293-K299 WeakPolarHBondContact O-CA 3.33Å
300	Y	94.2	Very high	91	Very high	41 Å²	41	69 Å²	69	16%	0.161	39%	0.388	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-118.5	122.9	179.3	-63.9	-93.9	0	0	0	110	P292 F293 F295 D298 T304 E306	P292-Y300 CarbonylContact C-O 3.35Å; P292-Y300 WeakPolarHBondContact CA-O 3.28Å; F293-Y300 HydrophobicContact CE2-CD2 4.06Å; F293-Y300 HydrophobicContact CE2-CG 4.31Å; F293-Y300 HydrophobicContact CZ-CD2 4.3Å; F293-Y300 HydrophobicContact CZ-CG 4.08Å; F293-Y300 PolarHBondContact N-O 3.08Å; F293-Y300 PolarHBondContact O-N 2.73Å; F295-Y300 HydrophobicContact CB-CD2 4.11Å; F295-Y300 HydrophobicContact CB-CE2 3.84Å; F295-Y300 HydrophobicContact CD1-CE2 4.13Å; F295-Y300 HydrophobicContact CG-CE2 4.49Å; D298-Y300 HydrophobicContact CB-CE2 3.85Å; Y300-T304 HydrophobicContact CD1-CG2 3.85Å; Y300-T304 HydrophobicContact CE1-CG2 4.02Å; Y300-T304 HydrophobicContact CG-CG2 4.3Å; Y300-E306 HydrophobicContact CE1-CB 4.32Å; Y300-E306 WeakPolarHBondContact OH-CG 3.32Å
301	D	93	Very high	89.9	Confident	118 Å²	118	68.6 Å²	68.6	63%	0.631	39%	0.393	S	S	*	.	S	Bend	trans	-95.7	3.1	178	-69.4	-63.5	0	0	0	113.1	F291 P292	F291-D301 VanDerWaalsContact CD1-C 3.45Å; P292-D301 VanDerWaalsContact CB-OD1 3.28Å; P292-D301 WeakPolarHBondContact CB-OD1 3.27Å
302	S	90.7	Very high	89.5	Confident	72 Å²	72	67.2 Å²	67.2	50%	0.503	39%	0.386	S	S	.	.	S	Bend	trans	-147.3	172.5	177.2	65.6	0	0	0	0	109.9	F291	F291-S302 VanDerWaalsContact CE1-CA 3.41Å; F291-S302 WeakPolarHBondContact CE1-O 3.18Å
303	C	91.8	Very high	89.2	Confident	15 Å²	15	66 Å²	66	10%	0.101	38%	0.375	C	S	.	.			trans	-59.1	150.4	167.6	-55.2	0	0	0	0	110.7	E275 R313 W314 C330	E275-C303 VanDerWaalsContact CB-SG 3.52Å; C303-R313 HydrophobicContact CB-CB 3.98Å; C303-W314 WeakPolarHBondContact CA-O 3.48Å; C303-C330 HydrophobicContact CB-CB 3.74Å; C303-C330 WeakPolarHBondContact CB-SG 3.33Å; C303-C330 WeakPolarHBondContact SG-CB 3.15Å; C303-C330 CovalentContact SG-SG 2.02Å; C303-C330 PolarHBondContact SG-SG 2.89Å
304	T	90.1	Very high	89	Confident	23 Å²	23	66.3 Å²	66.3	14%	0.141	38%	0.376	C	S	.	.	B	Isolated β-bridge	trans	-136.5	156.9	-178.4	-172.6	0	0	0	0	110.3	F293 Y300 E306 R313 W314	F293-T304 HydrophobicContact CZ-CG2 4.08Å; Y300-T304 HydrophobicContact CD1-CG2 3.85Å; Y300-T304 HydrophobicContact CE1-CG2 4.02Å; Y300-T304 HydrophobicContact CG-CG2 4.3Å; T304-E306 HydrophobicContact CG2-CB 4.1Å; T304-E306 WeakPolarHBondContact OG1-CB 3.44Å; T304-E306 PolarHBondContact OG1-N 2.99Å; T304-E306 VanDerWaalsContact OG1-N 3.1Å; T304-R313 WeakPolarHBondContact O-CA 3.38Å; T304-W314 HydrophobicContact CG2-CZ2 4.38Å; T304-W314 PolarHBondContact N-O 2.97Å; T304-W314 PolarHBondContact O-N 3.4Å
305	T	88.4	Confident	89	Confident	63 Å²	63	65 Å²	65	39%	0.387	37%	0.368	S	S	.	.			trans	-98.4	0.5	168.1	60.2	0	0	0	0	111.6	G307 R308 G311 R313	T305-G307 PolarHBondContact O-N 2.71Å; T305-R308 WeakPolarHBondContact O-CB 3.35Å; T305-R308 PolarHBondContact O-N 2.94Å; T305-G311 VanDerWaalsContact CG2-O 3.27Å; T305-G311 WeakPolarHBondContact CG2-O 3.22Å; T305-R313 HydrophobicContact CG2-CG 3.82Å
306	E	88.8	Confident	89	Confident	103 Å²	103	64.1 Å²	64.1	48%	0.481	36%	0.364	S	S	.	.	T	Hydrogen-bonded Turn	trans	-56.2	137.1	-176.4	-167.3	63.7	-142	0	0	111.2	F295 Y300 T304 R308 W314	F295-E306 HydrophobicContact CD1-CB 4.44Å; F295-E306 HydrophobicContact CD1-CG 4.36Å; F295-E306 HydrophobicContact CE1-CB 4.19Å; F295-E306 HydrophobicContact CE1-CG 3.98Å; Y300-E306 HydrophobicContact CE1-CB 4.32Å; Y300-E306 WeakPolarHBondContact OH-CG 3.32Å; T304-E306 HydrophobicContact CG2-CB 4.1Å; T304-E306 WeakPolarHBondContact OG1-CB 3.44Å; T304-E306 PolarHBondContact OG1-N 2.99Å; T304-E306 VanDerWaalsContact OG1-N 3.1Å; E306-R308 VanDerWaalsContact C-N 3.25Å; E306-R308 PolarHBondContact O-N 2.91Å; E306-W314 PolarHBondContact O-NE1 3.37Å
307	G	85.6	Confident	89.1	Confident	61 Å²	61	59 Å²	59	63%	0.629	34%	0.338	S	S	*	.	T	Hydrogen-bonded Turn	trans	76.9	4.5	-176.6	0	0	0	0	0	115	T305	T305-G307 PolarHBondContact O-N 2.71Å
308	R	84.6	Confident	89.3	Confident	78 Å²	78	57.8 Å²	57.8	29%	0.294	32%	0.319	S	S	.	.			trans	-123.4	148.2	176	-54.6	-162.9	68.8	89.2	-0.7	112.4	T305 E306 D310	T305-R308 WeakPolarHBondContact O-CB 3.35Å; T305-R308 PolarHBondContact O-N 2.94Å; E306-R308 VanDerWaalsContact C-N 3.25Å; E306-R308 PolarHBondContact O-N 2.91Å; R308-D310 WeakPolarHBondContact CB-OD1 3.22Å; R308-D310 IonicContact CZ-OD1 3.36Å; R308-D310 IonicContact CZ-OD2 3.46Å; R308-D310 VanDerWaalsContact CZ-OD2 3.3Å; R308-D310 IonicContact NE-OD1 2.78Å; R308-D310 PolarHBondContact NE-OD1 2.83Å; R308-D310 IonicContact NE-OD2 3.84Å; R308-D310 PolarHBondContact NE-OD2 2.81Å; R308-D310 IonicContact NH2-OD1 3.34Å; R308-D310 IonicContact NH2-OD2 2.72Å; R308-D310 PolarHBondContact NH2-OD2 3.42Å
309	N	73.8	Confident	89.3	Confident	175 Å²	175	58.4 Å²	58.4	94%	0.936	32%	0.323	S	S	*	.	S	Bend	trans	-108.1	-8	177.8	-65	-19.7	0	0	0	113.1
310	D	72.3	Confident	89.3	Confident	60 Å²	60	53.4 Å²	53.4	32%	0.321	30%	0.303	S	S	.	.	S	Bend	trans	-88.1	-5.3	179.9	51.6	20.5	0	0	0	113.1	R308 Y312	R308-D310 WeakPolarHBondContact CB-OD1 3.22Å; R308-D310 IonicContact CZ-OD1 3.36Å; R308-D310 IonicContact CZ-OD2 3.46Å; R308-D310 VanDerWaalsContact CZ-OD2 3.3Å; R308-D310 IonicContact NE-OD1 2.78Å; R308-D310 PolarHBondContact NE-OD1 2.83Å; R308-D310 IonicContact NE-OD2 3.84Å; R308-D310 PolarHBondContact NE-OD2 2.81Å; R308-D310 IonicContact NH2-OD1 3.34Å; R308-D310 IonicContact NH2-OD2 2.72Å; R308-D310 PolarHBondContact NH2-OD2 3.42Å; D310-Y312 HydrophobicContact CB-CD2 3.92Å; D310-Y312 HydrophobicContact CB-CE2 4.28Å; D310-Y312 VanDerWaalsContact CG-CD2 3.49Å; D310-Y312 PolarHBondContact O-N 2.93Å; D310-Y312 PolarHBondContact OD1-N 2.95Å
311	G	74.9	Confident	89.4	Confident	34 Å²	34	53.4 Å²	53.4	35%	0.351	30%	0.304	S	S	.	.			trans	77.3	0.4	177.8	0	0	0	0	0	114.5	T305 R313	T305-G311 VanDerWaalsContact CG2-O 3.27Å; T305-G311 WeakPolarHBondContact CG2-O 3.22Å; G311-R313 PolarHBondContact O-N 3.5Å
312	Y	84.1	Confident	89.4	Confident	29 Å²	29	50.6 Å²	50.6	11%	0.114	29%	0.289	C	S	.	.			trans	-70.1	127.8	178.1	-72	-60	0	0	0	111.7	P131 D207 D310 F329	P131-Y312 HydrophobicContact CG-CD1 4.3Å; P131-Y312 HydrophobicContact CG-CE1 4.11Å; D207-Y312 WeakPolarHBondContact OD2-CE1 3.41Å; D207-Y312 PolarHBondContact OD2-OH 2.81Å; D310-Y312 HydrophobicContact CB-CD2 3.92Å; D310-Y312 HydrophobicContact CB-CE2 4.28Å; D310-Y312 VanDerWaalsContact CG-CD2 3.49Å; D310-Y312 PolarHBondContact O-N 2.93Å; D310-Y312 PolarHBondContact OD1-N 2.95Å; Y312-F329 HydrophobicContact CG-CD1 4.38Å; Y312-F329 HydrophobicContact CG-CE1 4.37Å
313	R	89.9	Confident	89.7	Confident	28 Å²	28	51.5 Å²	51.5	11%	0.106	29%	0.292	C	S	.	.			trans	-73.1	129.1	173.7	-63.2	-176.2	-56.6	156.6	5.8	109.6	C303 T304 T305 G311 F329 C330 P331 N332 G344 D345	C303-R313 HydrophobicContact CB-CB 3.98Å; T304-R313 WeakPolarHBondContact O-CA 3.38Å; T305-R313 HydrophobicContact CG2-CG 3.82Å; G311-R313 PolarHBondContact O-N 3.5Å; R313-F329 WeakPolarHBondContact O-CA 3.42Å; R313-C330 HydrophobicContact CB-CB 4.24Å; R313-C330 PolarHBondContact O-N 2.74Å; R313-P331 PolarHBondContact NH2-O 3.16Å; R313-N332 PolarHBondContact NH2-OD1 3.48Å; R313-G344 VanDerWaalsContact NH1-C 3.34Å; R313-G344 PolarHBondContact NH1-O 3.25Å; R313-G344 PolarHBondContact NH2-O 2.92Å; R313-D345 IonicContact NH1-OD1 3.94Å; R313-D345 PolarHBondContact NH1-OD1 3.12Å
314	W	93.8	Very high	89.9	Confident	7 Å²	7	54.7 Å²	54.7	3%	0.027	31%	0.308	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-132.8	163.2	179.3	74.9	-83.6	0	0	0	110.7	F293 F295 C303 T304 E306 F321 Y327 G328 F329	F293-W314 AromaticContact CE2-CH2 3.93Å; F293-W314 HydrophobicContact CE2-CH2 3.93Å; F293-W314 HydrophobicContact CE2-CZ3 4.01Å; F293-W314 HydrophobicContact CZ-CZ3 4.42Å; F295-W314 HydrophobicContact CB-CH2 4.19Å; F295-W314 HydrophobicContact CD1-CH2 4.19Å; F295-W314 AromaticContact CD1-CZ2 3.73Å; F295-W314 HydrophobicContact CD1-CZ2 3.73Å; F295-W314 AromaticContact CD2-CH2 3.9Å; F295-W314 HydrophobicContact CD2-CH2 3.9Å; F295-W314 HydrophobicContact CD2-CZ2 4.1Å; F295-W314 AromaticContact CE1-CZ2 3.81Å; F295-W314 HydrophobicContact CE1-CZ2 3.81Å; F295-W314 HydrophobicContact CE2-CH2 4.26Å; F295-W314 HydrophobicContact CE2-CZ2 4.15Å; F295-W314 AromaticContact CG-CH2 3.83Å; F295-W314 HydrophobicContact CG-CH2 3.83Å; F295-W314 AromaticContact CG-CZ2 3.87Å; F295-W314 HydrophobicContact CG-CZ2 3.87Å; F295-W314 HydrophobicContact CZ-CZ2 4.01Å; C303-W314 WeakPolarHBondContact CA-O 3.48Å; T304-W314 HydrophobicContact CG2-CZ2 4.38Å; T304-W314 PolarHBondContact N-O 2.97Å; T304-W314 PolarHBondContact O-N 3.4Å; E306-W314 PolarHBondContact O-NE1 3.37Å; W314-F321 HydrophobicContact CH2-CB 4.28Å; W314-F321 AromaticContact CH2-CD1 3.93Å; W314-F321 HydrophobicContact CH2-CD1 3.93Å; W314-F321 AromaticContact CH2-CD2 3.89Å; W314-F321 HydrophobicContact CH2-CD2 3.89Å; W314-F321 HydrophobicContact CH2-CE1 4.16Å; W314-F321 HydrophobicContact CH2-CE2 4.16Å; W314-F321 AromaticContact CH2-CG 3.75Å; W314-F321 HydrophobicContact CH2-CG 3.75Å; W314-F321 HydrophobicContact CH2-CZ 4.27Å; W314-F321 HydrophobicContact CZ3-CB 4.36Å; W314-F321 HydrophobicContact CZ3-CD1 4.41Å; W314-F321 AromaticContact CZ3-CD2 3.52Å; W314-F321 HydrophobicContact CZ3-CD2 3.52Å; W314-F321 AromaticContact CZ3-CE2 3.82Å; W314-F321 HydrophobicContact CZ3-CE2 3.82Å; W314-F321 AromaticContact CZ3-CG 3.83Å; W314-F321 HydrophobicContact CZ3-CG 3.83Å; W314-F321 HydrophobicContact CZ3-CZ 4.35Å; W314-Y327 HydrophobicContact CB-CD2 4.47Å; W314-Y327 HydrophobicContact CE3-CD2 4.23Å; W314-Y327 HydrophobicContact CE3-CG 4.38Å; W314-G328 WeakPolarHBondContact CA-O 3.45Å; W314-F329 HydrophobicContact CB-CD1 3.96Å; W314-F329 HydrophobicContact CB-CE1 4.26Å
315	C	96.1	Very high	90.1	Very high	0 Å²	0	60 Å²	60	0%	0	33%	0.329	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-143.1	158.6	174.2	70	0	0	0	0	110.4	T279 C289 F291 F293 Y327 G328	T279-C315 WeakPolarHBondContact CG2-SG 3.3Å; C289-C315 WeakPolarHBondContact CA-SG 3.47Å; C289-C315 HydrophobicContact CB-CB 3.64Å; C289-C315 WeakPolarHBondContact CB-SG 3.3Å; C289-C315 WeakPolarHBondContact SG-CB 3.28Å; C289-C315 CovalentContact SG-SG 1.99Å; C289-C315 PolarHBondContact SG-SG 3.3Å; F291-C315 HydrophobicContact CE1-CB 4.11Å; F291-C315 HydrophobicContact CZ-CB 4.21Å; F293-C315 HydrophobicContact CD1-CB 4.46Å; F293-C315 HydrophobicContact CE1-CB 3.88Å; F293-C315 HydrophobicContact CZ-CB 4.44Å; C315-Y327 WeakPolarHBondContact O-CA 3.45Å; C315-Y327 WeakPolarHBondContact O-CB 3.2Å; C315-G328 PolarHBondContact N-O 3.14Å; C315-G328 VanDerWaalsContact N-O 3.13Å; C315-G328 PolarHBondContact O-N 3.47Å
316	A	97.3	Very high	90.6	Very high	0 Å²	0	60.9 Å²	60.9	0%	0	33%	0.327	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-76.7	143.6	164.4	0	0	0	0	0	110.2	V290 F293 T318 F321 K326	V290-A316 PolarHBondContact N-O 2.91Å; F293-A316 HydrophobicContact CB-CB 3.53Å; F293-A316 HydrophobicContact CD1-CB 4.13Å; F293-A316 HydrophobicContact CD2-CB 3.42Å; F293-A316 VanDerWaalsContact CD2-CB 3.42Å; F293-A316 HydrophobicContact CE2-CB 4.1Å; F293-A316 HydrophobicContact CG-CB 3.43Å; F293-A316 VanDerWaalsContact CG-CB 3.43Å; A316-T318 VanDerWaalsContact C-N 3.27Å; A316-T318 WeakPolarHBondContact CB-O 3.23Å; A316-F321 HydrophobicContact CB-CB 3.89Å; A316-K326 WeakPolarHBondContact CA-O 3.21Å
317	T	96.8	Very high	90.9	Very high	19 Å²	19	58.6 Å²	58.6	12%	0.117	32%	0.315	C	S	.	.	S	Bend	trans	-96.7	16.2	172.1	65.6	0	0	0	0	111.4	T279 A284 A287 P288 V290 K326	T279-T317 HydrophobicContact CG2-CG2 4.2Å; A284-T317 HydrophobicContact CB-CG2 3.47Å; A284-T317 VanDerWaalsContact CB-CG2 3.47Å; A284-T317 VanDerWaalsContact CB-OG1 3.25Å; A284-T317 WeakPolarHBondContact CB-OG1 3.47Å; A287-T317 HydrophobicContact CB-CG2 4.09Å; A287-T317 WeakPolarHBondContact O-CG2 3.42Å; P288-T317 WeakPolarHBondContact O-CB 3.13Å; V290-T317 VanDerWaalsContact CG2-C 3.5Å; V290-T317 WeakPolarHBondContact CG2-O 3.18Å; T317-K326 PolarHBondContact N-O 3.44Å; T317-K326 VanDerWaalsContact N-O 3.15Å
318	T	96.5	Very high	91.3	Very high	31 Å²	31	55.7 Å²	55.7	19%	0.19	29%	0.285	C	S	.	.	S	Bend	trans	-141.4	170	172.9	74.1	0	0	0	0	109.5	F293 A316 N320 D324 K326	F293-T318 WeakPolarHBondContact CB-O 3.12Å; A316-T318 VanDerWaalsContact C-N 3.27Å; A316-T318 WeakPolarHBondContact CB-O 3.23Å; T318-N320 PolarHBondContact O-N 3.13Å; T318-N320 PolarHBondContact OG1-N 3.04Å; T318-N320 PolarHBondContact OG1-O 3.12Å; T318-D324 WeakPolarHBondContact CB-OD2 3.45Å; T318-D324 HydrophobicContact CG2-CB 4.05Å; T318-D324 WeakPolarHBondContact OG1-CB 3.37Å; T318-D324 PolarHBondContact OG1-OD2 2.83Å; T318-K326 HydrophobicContact CG2-CB 3.96Å
319	N	96.5	Very high	91.7	Very high	117 Å²	117	52.6 Å²	52.6	63%	0.626	27%	0.273	S	S	*	.	S	Bend	trans	-66	-17.6	-179.1	-65.7	-42.3	0	0	0	113.7	V290 F293 T294	V290-N319 WeakPolarHBondContact CG1-OD1 3.05Å; F293-N319 WeakPolarHBondContact CA-O 3.35Å; T294-N319 PolarHBondContact N-O 2.56Å
320	N	96.4	Very high	92.5	Very high	47 Å²	47	44.4 Å²	44.4	25%	0.251	23%	0.23	S	C	.	.	B	Isolated β-bridge	trans	-148.4	106.9	-175.6	-171.1	-29.9	0	0	0	111.2	T318 D322 T323 D324	T318-N320 PolarHBondContact O-N 3.13Å; T318-N320 PolarHBondContact OG1-N 3.04Å; T318-N320 PolarHBondContact OG1-O 3.12Å; N320-D322 WeakPolarHBondContact OD1-CA 3.42Å; N320-D322 WeakPolarHBondContact OD1-CB 3.46Å; N320-D322 PolarHBondContact OD1-N 2.99Å; N320-T323 WeakPolarHBondContact CB-OG1 3.37Å; N320-T323 PolarHBondContact O-OG1 2.94Å; N320-T323 PolarHBondContact OD1-N 2.8Å; N320-D324 WeakPolarHBondContact O-CB 3.25Å; N320-D324 PolarHBondContact O-N 2.83Å; N320-D324 VanDerWaalsContact O-N 3.13Å
321	F	96.4	Very high	93.4	Very high	41 Å²	41	41.9 Å²	41.9	18%	0.18	22%	0.217	C	C	.	.	H	α-helix	trans	-67.5	-37.8	177.3	178	-95.3	0	0	0	112.2	T294 F295 W314 A316 T323 D324 K325 Y327	T294-F321 WeakPolarHBondContact O-CB 3.39Å; T294-F321 PolarHBondContact O-N 3.39Å; F295-F321 AromaticContact CD2-CD1 3.48Å; F295-F321 HydrophobicContact CD2-CD1 3.48Å; F295-F321 VanDerWaalsContact CD2-CD1 3.48Å; F295-F321 AromaticContact CD2-CE1 3.94Å; F295-F321 HydrophobicContact CD2-CE1 3.94Å; F295-F321 HydrophobicContact CD2-CG 4.34Å; F295-F321 AromaticContact CE2-CD1 3.89Å; F295-F321 HydrophobicContact CE2-CD1 3.89Å; F295-F321 AromaticContact CE2-CE1 3.84Å; F295-F321 HydrophobicContact CE2-CE1 3.84Å; F295-F321 HydrophobicContact CG-CD1 4.49Å; W314-F321 HydrophobicContact CH2-CB 4.28Å; W314-F321 AromaticContact CH2-CD1 3.93Å; W314-F321 HydrophobicContact CH2-CD1 3.93Å; W314-F321 AromaticContact CH2-CD2 3.89Å; W314-F321 HydrophobicContact CH2-CD2 3.89Å; W314-F321 HydrophobicContact CH2-CE1 4.16Å; W314-F321 HydrophobicContact CH2-CE2 4.16Å; W314-F321 AromaticContact CH2-CG 3.75Å; W314-F321 HydrophobicContact CH2-CG 3.75Å; W314-F321 HydrophobicContact CH2-CZ 4.27Å; W314-F321 HydrophobicContact CZ3-CB 4.36Å; W314-F321 HydrophobicContact CZ3-CD1 4.41Å; W314-F321 AromaticContact CZ3-CD2 3.52Å; W314-F321 HydrophobicContact CZ3-CD2 3.52Å; W314-F321 AromaticContact CZ3-CE2 3.82Å; W314-F321 HydrophobicContact CZ3-CE2 3.82Å; W314-F321 AromaticContact CZ3-CG 3.83Å; W314-F321 HydrophobicContact CZ3-CG 3.83Å; W314-F321 HydrophobicContact CZ3-CZ 4.35Å; A316-F321 HydrophobicContact CB-CB 3.89Å; F321-T323 PolarHBondContact O-N 2.89Å; F321-D324 PolarHBondContact O-N 2.64Å; F321-K325 VanDerWaalsContact O-CA 3.23Å; F321-K325 WeakPolarHBondContact O-CA 3.35Å; F321-K325 PolarHBondContact O-N 3.26Å; F321-Y327 AromaticContact CE2-CD1 3.94Å; F321-Y327 HydrophobicContact CE2-CD1 3.94Å; F321-Y327 AromaticContact CE2-CG 3.99Å; F321-Y327 HydrophobicContact CE2-CG 3.99Å
322	D	93.8	Very high	93.9	Very high	60 Å²	60	41 Å²	41	32%	0.321	20%	0.204	S	C	.	.	H	α-helix	trans	-60.3	-33.4	-176.2	-58.3	-33.7	0	0	0	111.7	L296 G297 N320	L296-D322 VanDerWaalsContact N-CG 3.33Å; L296-D322 PolarHBondContact N-OD1 3.3Å; L296-D322 PolarHBondContact N-OD2 3.01Å; G297-D322 PolarHBondContact N-OD2 2.87Å; N320-D322 WeakPolarHBondContact OD1-CA 3.42Å; N320-D322 WeakPolarHBondContact OD1-CB 3.46Å; N320-D322 PolarHBondContact OD1-N 2.99Å
323	T	95.9	Very high	93.9	Very high	91 Å²	91	43.2 Å²	43.2	56%	0.558	21%	0.212	S	C	*	.	H	α-helix	trans	-86.5	-50.8	177.3	59.5	0	0	0	0	112.7	N320 F321	N320-T323 WeakPolarHBondContact CB-OG1 3.37Å; N320-T323 PolarHBondContact O-OG1 2.94Å; N320-T323 PolarHBondContact OD1-N 2.8Å; F321-T323 PolarHBondContact O-N 2.89Å
324	D	95.8	Very high	93.6	Very high	81 Å²	81	43 Å²	43	43%	0.433	21%	0.213	S	C	.	.	H	α-helix	trans	-92.5	-23.9	-164.9	-54.7	-20.8	0	0	0	112.1	T318 N320 F321 K326	T318-D324 WeakPolarHBondContact CB-OD2 3.45Å; T318-D324 HydrophobicContact CG2-CB 4.05Å; T318-D324 WeakPolarHBondContact OG1-CB 3.37Å; T318-D324 PolarHBondContact OG1-OD2 2.83Å; N320-D324 WeakPolarHBondContact O-CB 3.25Å; N320-D324 PolarHBondContact O-N 2.83Å; N320-D324 VanDerWaalsContact O-N 3.13Å; F321-D324 PolarHBondContact O-N 2.64Å; D324-K326 PolarHBondContact O-N 2.83Å; D324-K326 VanDerWaalsContact O-N 3.14Å
325	K	95.6	Very high	93.2	Very high	134 Å²	134	44.7 Å²	44.7	58%	0.583	22%	0.224	S	C	*	.			trans	53.3	30.2	-179.9	-56.3	179.4	-179.4	179.8	0	113.3	N283 F321	N283-K325 PolarHBondContact ND2-O 3.04Å; N283-K325 PolarHBondContact OD1-O 3.05Å; F321-K325 VanDerWaalsContact O-CA 3.23Å; F321-K325 WeakPolarHBondContact O-CA 3.35Å; F321-K325 PolarHBondContact O-N 3.26Å
326	K	97.1	Very high	92.8	Very high	83 Å²	83	44.9 Å²	44.9	36%	0.361	23%	0.226	S	C	.	.			trans	-101	121.3	178.7	-77	-71.8	-177.8	172.8	0	110.1	N283 A316 T317 T318 D324	N283-K326 WeakPolarHBondContact O-CD 3.39Å; N283-K326 PolarHBondContact O-NZ 2.84Å; N283-K326 WeakPolarHBondContact OD1-CA 3.41Å; A316-K326 WeakPolarHBondContact CA-O 3.21Å; T317-K326 PolarHBondContact N-O 3.44Å; T317-K326 VanDerWaalsContact N-O 3.15Å; T318-K326 HydrophobicContact CG2-CB 3.96Å; D324-K326 PolarHBondContact O-N 2.83Å; D324-K326 VanDerWaalsContact O-N 3.14Å
327	Y	96	Very high	92.4	Very high	54 Å²	54	44.9 Å²	44.9	21%	0.212	23%	0.226	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-150.7	162.5	-176.7	81	-71.6	0	0	0	112.1	N283 A284 W314 C315 F321 F329	N283-Y327 PolarHBondContact N-O 3.31Å; N283-Y327 WeakPolarHBondContact OD1-CD1 3.27Å; N283-Y327 PolarHBondContact OD1-N 3.07Å; N283-Y327 PolarHBondContact OD1-O 3.15Å; A284-Y327 VanDerWaalsContact CB-O 3.26Å; A284-Y327 WeakPolarHBondContact CB-O 3.33Å; A284-Y327 PolarHBondContact N-O 3.18Å; W314-Y327 HydrophobicContact CB-CD2 4.47Å; W314-Y327 HydrophobicContact CE3-CD2 4.23Å; W314-Y327 HydrophobicContact CE3-CG 4.38Å; C315-Y327 WeakPolarHBondContact O-CA 3.45Å; C315-Y327 WeakPolarHBondContact O-CB 3.2Å; F321-Y327 AromaticContact CE2-CD1 3.94Å; F321-Y327 HydrophobicContact CE2-CD1 3.94Å; F321-Y327 AromaticContact CE2-CG 3.99Å; F321-Y327 HydrophobicContact CE2-CG 3.99Å; Y327-F329 AromaticContact CE2-CE2 3.94Å; Y327-F329 HydrophobicContact CE2-CE2 3.94Å; Y327-F329 AromaticContact CE2-CZ 3.96Å; Y327-F329 HydrophobicContact CE2-CZ 3.96Å
328	G	94.1	Very high	92	Very high	0 Å²	0	44.2 Å²	44.2	0%	0	22%	0.222	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-149.4	171.4	164.9	0	0	0	0	0	110.6	W314 C315	W314-G328 WeakPolarHBondContact CA-O 3.45Å; C315-G328 PolarHBondContact N-O 3.14Å; C315-G328 VanDerWaalsContact N-O 3.13Å; C315-G328 PolarHBondContact O-N 3.47Å
329	F	92.2	Very high	91.4	Very high	13 Å²	13	43 Å²	43	6%	0.057	22%	0.216	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-89	147	178.8	-64.1	-81.1	0	0	0	111.5	T279 F280 D281 Y312 R313 W314 Y327	T279-F329 CarbonylContact C-O 3.29Å; T279-F329 VanDerWaalsContact CA-O 3.25Å; T279-F329 WeakPolarHBondContact CA-O 3.4Å; T279-F329 VanDerWaalsContact CB-O 3.31Å; T279-F329 WeakPolarHBondContact CB-O 3.37Å; F280-F329 HydrophobicContact CD1-CB 4.2Å; F280-F329 WeakPolarHBondContact CD1-O 3.2Å; F280-F329 HydrophobicContact CD2-CB 4.26Å; F280-F329 HydrophobicContact CE1-CB 3.81Å; F280-F329 HydrophobicContact CE2-CB 3.89Å; F280-F329 HydrophobicContact CG-CB 4.41Å; F280-F329 HydrophobicContact CZ-CB 3.64Å; F280-F329 PolarHBondContact N-O 3.3Å; F280-F329 WeakPolarHBondContact O-CB 3.19Å; F280-F329 PolarHBondContact O-N 2.9Å; D281-F329 HydrophobicContact CB-CD2 3.93Å; D281-F329 HydrophobicContact CB-CE2 4.38Å; Y312-F329 HydrophobicContact CG-CD1 4.38Å; Y312-F329 HydrophobicContact CG-CE1 4.37Å; R313-F329 WeakPolarHBondContact O-CA 3.42Å; W314-F329 HydrophobicContact CB-CD1 3.96Å; W314-F329 HydrophobicContact CB-CE1 4.26Å; Y327-F329 AromaticContact CE2-CE2 3.94Å; Y327-F329 HydrophobicContact CE2-CE2 3.94Å; Y327-F329 AromaticContact CE2-CZ 3.96Å; Y327-F329 HydrophobicContact CE2-CZ 3.96Å
330	C	91.8	Very high	90.8	Very high	3 Å²	3	38.8 Å²	38.8	2%	0.02	20%	0.2	C	C	.	.	P	Polyproline II helix	trans	-91	126.4	-175.3	-61.1	0	0	0	0	110.4	E275 C303 R313	E275-C330 HydrophobicContact CB-CB 4.11Å; C303-C330 HydrophobicContact CB-CB 3.74Å; C303-C330 WeakPolarHBondContact CB-SG 3.33Å; C303-C330 WeakPolarHBondContact SG-CB 3.15Å; C303-C330 CovalentContact SG-SG 2.02Å; C303-C330 PolarHBondContact SG-SG 2.89Å; R313-C330 HydrophobicContact CB-CB 4.24Å; R313-C330 PolarHBondContact O-N 2.74Å
331	P	89.9	Confident	90.2	Very high	7 Å²	7	38.9 Å²	38.9	5%	0.045	20%	0.2	C	C	.	.	P	Polyproline II helix	trans	-62.6	148.5	176.2	27.7	-34.6	0	0	0	111	P273 F278 F280 R313	P273-P331 HydrophobicContact CB-CB 3.93Å; P273-P331 HydrophobicContact CB-CG 4.17Å; F278-P331 HydrophobicContact CE1-CG 4.15Å; F278-P331 HydrophobicContact CE2-CB 4.43Å; F278-P331 HydrophobicContact CE2-CG 4.32Å; F278-P331 HydrophobicContact CZ-CB 3.97Å; F278-P331 HydrophobicContact CZ-CG 3.89Å; F280-P331 HydrophobicContact CD1-CB 4.48Å; R313-P331 PolarHBondContact NH2-O 3.16Å
332	N	86.9	Confident	89.8	Confident	16 Å²	16	37.1 Å²	37.1	9%	0.086	19%	0.193	C	C	.	.	P	Polyproline II helix	trans	-72.1	142.7	171	-75.7	-13	0	0	0	110.4	P131 D132 R313 A336 G344	P131-N332 HydrophobicContact CB-CB 4.33Å; P131-N332 WeakPolarHBondContact CG-ND2 2.99Å; P131-N332 WeakPolarHBondContact O-CB 3.06Å; P131-N332 PolarHBondContact O-N 2.93Å; D132-N332 PolarHBondContact OD1-ND2 3.26Å; R313-N332 PolarHBondContact NH2-OD1 3.48Å; N332-A336 HydrophobicContact CB-CB 4.13Å; N332-G344 WeakPolarHBondContact OD1-CA 3.33Å
333	R	84.3	Confident	89.3	Confident	75 Å²	75	36.2 Å²	36.2	28%	0.283	19%	0.187	S	C	.	.	P	Polyproline II helix	trans	-76.7	155	168.9	-64.6	-173.8	-175.9	-176.4	4.1	108.2	E275 T335 A336	E275-R333 IonicContact OE1-CZ 3.48Å; E275-R333 IonicContact OE1-NE 3.65Å; E275-R333 IonicContact OE1-NH2 2.81Å; E275-R333 PolarHBondContact OE1-NH2 3.39Å; E275-R333 IonicContact OE2-NE 3.65Å; E275-R333 IonicContact OE2-NH2 3.47Å; R333-T335 PolarHBondContact O-N 2.97Å; R333-T335 VanDerWaalsContact O-N 3.17Å; R333-A336 WeakPolarHBondContact O-CB 3.38Å; R333-A336 PolarHBondContact O-N 3.02Å
334	D	82.8	Confident	88.7	Confident	25 Å²	25	32 Å²	32	13%	0.134	16%	0.161	C	C	.	.	T	Hydrogen-bonded Turn	trans	-65.8	-18.1	178.1	66.6	-52.3	0	0	0	113.6	A217 V219 S244 C245 P389	A217-D334 HydrophobicContact CB-CB 4.27Å; V219-D334 HydrophobicContact CG2-CB 3.45Å; V219-D334 VanDerWaalsContact CG2-CB 3.45Å; S244-D334 WeakPolarHBondContact CA-OD2 3.39Å; S244-D334 WeakPolarHBondContact CB-OD2 3.33Å; C245-D334 VanDerWaalsContact CB-OD1 3.28Å; C245-D334 WeakPolarHBondContact CB-OD1 3.48Å; C245-D334 PolarHBondContact N-OD2 2.89Å; C245-D334 VanDerWaalsContact SG-CG 3.6Å; C245-D334 PolarHBondContact SG-OD1 3.31Å; D334-P389 WeakPolarHBondContact O-CG 3.36Å
335	T	84.8	Confident	88.3	Confident	42 Å²	42	31 Å²	31	26%	0.258	16%	0.156	S	C	.	.	T	Hydrogen-bonded Turn	trans	-96.9	4.9	173.2	64.6	0	0	0	0	113.6	R333	R333-T335 PolarHBondContact O-N 2.97Å; R333-T335 VanDerWaalsContact O-N 3.17Å
336	A	88.2	Confident	88	Confident	4 Å²	4	26.9 Å²	26.9	3%	0.033	14%	0.143	C	C	.	.	B	Isolated β-bridge	trans	-65.3	143.2	-178.5	0	0	0	0	0	110.9	N332 R333 G344 D345 P389	N332-A336 HydrophobicContact CB-CB 4.13Å; R333-A336 WeakPolarHBondContact O-CB 3.38Å; R333-A336 PolarHBondContact O-N 3.02Å; A336-G344 VanDerWaalsContact CB-O 3.23Å; A336-G344 WeakPolarHBondContact CB-O 3.48Å; A336-D345 CarbonylContact C-O 3.58Å; A336-D345 WeakPolarHBondContact CA-O 3.26Å; A336-P389 WeakPolarHBondContact O-CG 3.38Å
337	V	89.6	Confident	87.7	Confident	0 Å²	0	24.1 Å²	24.1	0%	0	13%	0.134	C	C	.	.	P	Polyproline II helix	trans	-76.3	146.7	171.6	-57.2	0	0	0	0	110.8	S342 G344 D345 C373 T375 F387	V337-S342 WeakPolarHBondContact CG2-O 3.46Å; V337-G344 PolarHBondContact O-N 2.82Å; V337-D345 WeakPolarHBondContact CG2-O 3.4Å; V337-D345 PolarHBondContact N-O 3.03Å; V337-C373 WeakPolarHBondContact CG1-SG 3.33Å; V337-T375 HydrophobicContact CG1-CG2 4.03Å; V337-T375 HydrophobicContact CG2-CG2 3.83Å; V337-F387 CarbonylContact C-O 3.01Å; V337-F387 WeakPolarHBondContact CA-O 3.4Å; V337-F387 WeakPolarHBondContact CB-O 3.23Å
338	T	86.9	Confident	87.5	Confident	4 Å²	4	25.3 Å²	25.3	3%	0.025	14%	0.141	C	C	.	.	B	Isolated β-bridge	trans	-103.4	145.1	173.2	51.8	0	0	0	0	110.2	K185 H210 F387	K185-T338 PolarHBondContact NZ-OG1 3.24Å; H210-T338 HydrophobicContact CB-CG2 3.88Å; T338-F387 PolarHBondContact N-O 2.92Å; T338-F387 VanDerWaalsContact O-CB 3.29Å; T338-F387 WeakPolarHBondContact O-CB 3.47Å; T338-F387 VanDerWaalsContact O-CD2 3.3Å; T338-F387 WeakPolarHBondContact O-CD2 3.35Å; T338-F387 PolarHBondContact O-N 3.41Å
339	G	84.3	Confident	87.3	Confident	7 Å²	7	29.4 Å²	29.4	7%	0.072	16%	0.159	C	C	.	.	S	Bend	trans	53	-153.8	-173.9	0	0	0	0	0	114.8
340	G	83.6	Confident	87.5	Confident	27 Å²	27	31.1 Å²	31.1	28%	0.278	17%	0.171	S	C	.	.	T	Hydrogen-bonded Turn	trans	69.8	-141.5	-175	0	0	0	0	0	111.7
341	N	84.9	Confident	87.7	Confident	49 Å²	49	31 Å²	31	26%	0.262	17%	0.17	S	C	.	.	T	Hydrogen-bonded Turn	trans	-126.5	14.7	-179.2	70.3	5.2	0	0	0	113.5	Q383 K384 W385	N341-Q383 PolarHBondContact ND2-O 3.39Å; N341-K384 PolarHBondContact O-NZ 3.23Å; N341-K384 VanDerWaalsContact O-NZ 3.17Å; N341-K384 WeakPolarHBondContact OD1-CA 3.39Å; N341-W385 PolarHBondContact N-O 3.35Å; N341-W385 VanDerWaalsContact N-O 3.07Å; N341-W385 PolarHBondContact OD1-N 3.41Å; N341-W385 PolarHBondContact OD1-O 3.25Å
342	S	87.6	Confident	88	Confident	5 Å²	5	32.7 Å²	32.7	4%	0.035	18%	0.18	C	C	.	.	S	Bend	trans	-140.8	29.6	-178.3	-50.4	0	0	0	0	111.1	V337 G344 D345 T375 K384 W385	V337-S342 WeakPolarHBondContact CG2-O 3.46Å; S342-G344 PolarHBondContact O-N 3.14Å; S342-D345 VanDerWaalsContact O-CB 3.31Å; S342-D345 WeakPolarHBondContact O-CB 3.36Å; S342-D345 PolarHBondContact O-N 3.11Å; S342-T375 WeakPolarHBondContact CB-OG1 3.11Å; S342-T375 PolarHBondContact OG-OG1 2.89Å; S342-K384 WeakPolarHBondContact OG-CB 3.44Å; S342-K384 WeakPolarHBondContact OG-CD 3.46Å; S342-W385 WeakPolarHBondContact CB-O 3.43Å; S342-W385 PolarHBondContact N-O 2.86Å; S342-W385 PolarHBondContact OG-N 2.8Å; S342-W385 VanDerWaalsContact OG-N 3.14Å
343	E	82.6	Confident	88.4	Confident	41 Å²	41	32 Å²	32	19%	0.192	18%	0.177	C	C	.	.	T	Hydrogen-bonded Turn	trans	-54.2	136.5	-177.2	-169	-171.1	138.7	0	0	112.1	K173 D345	K173-E343 IonicContact NZ-OE1 3.88Å; K173-E343 PolarHBondContact NZ-OE1 3.41Å; K173-E343 IonicContact NZ-OE2 2.92Å; K173-E343 PolarHBondContact NZ-OE2 2.74Å; E343-D345 VanDerWaalsContact C-N 3.26Å; E343-D345 PolarHBondContact O-N 3.26Å
344	G	83.6	Confident	88.8	Confident	1 Å²	1	32.1 Å²	32.1	1%	0.01	18%	0.18	C	C	.	.	T	Hydrogen-bonded Turn	trans	87.2	-18.4	-175.3	0	0	0	0	0	113.9	R313 N332 A336 V337 S342	R313-G344 VanDerWaalsContact NH1-C 3.34Å; R313-G344 PolarHBondContact NH1-O 3.25Å; R313-G344 PolarHBondContact NH2-O 2.92Å; N332-G344 WeakPolarHBondContact OD1-CA 3.33Å; A336-G344 VanDerWaalsContact CB-O 3.23Å; A336-G344 WeakPolarHBondContact CB-O 3.48Å; V337-G344 PolarHBondContact O-N 2.82Å; S342-G344 PolarHBondContact O-N 3.14Å
345	D	87.2	Confident	89.3	Confident	62 Å²	62	34.1 Å²	34.1	33%	0.332	21%	0.207	S	C	.	.	P	Polyproline II helix	trans	-82.9	144.6	179.1	-65.8	-23.9	0	0	0	111.8	R313 A336 V337 S342 E343 T375	R313-D345 IonicContact NH1-OD1 3.94Å; R313-D345 PolarHBondContact NH1-OD1 3.12Å; A336-D345 CarbonylContact C-O 3.58Å; A336-D345 WeakPolarHBondContact CA-O 3.26Å; V337-D345 WeakPolarHBondContact CG2-O 3.4Å; V337-D345 PolarHBondContact N-O 3.03Å; S342-D345 VanDerWaalsContact O-CB 3.31Å; S342-D345 WeakPolarHBondContact O-CB 3.36Å; S342-D345 PolarHBondContact O-N 3.11Å; E343-D345 VanDerWaalsContact C-N 3.26Å; E343-D345 PolarHBondContact O-N 3.26Å; D345-T375 HydrophobicContact CB-CG2 3.98Å
346	P	89	Confident	89.8	Confident	47 Å²	47	37 Å²	37	31%	0.305	22%	0.216	S	C	.	.	B	Isolated β-bridge	trans	-71.8	150.4	176.4	30.7	-34.7	0	0	0	111.6
347	C	90.9	Very high	90.2	Very high	25 Å²	25	42 Å²	42	17%	0.169	24%	0.239	C	C	.	.	P	Polyproline II helix	trans	-56.1	140.7	167.3	-63.3	0	0	0	0	111.5	F349 C373 C388	C347-F349 HydrophobicContact CB-CD2 4.02Å; C347-F349 HydrophobicContact CB-CE1 4.37Å; C347-F349 HydrophobicContact CB-CE2 3.38Å; C347-F349 HydrophobicContact CB-CZ 3.58Å; C347-C373 WeakPolarHBondContact CA-SG 3.3Å; C347-C373 HydrophobicContact CB-CB 3.7Å; C347-C373 WeakPolarHBondContact CB-SG 3.33Å; C347-C373 WeakPolarHBondContact SG-CB 3.39Å; C347-C373 CovalentContact SG-SG 2.02Å; C347-C373 PolarHBondContact SG-SG 3.44Å; C347-C388 VanDerWaalsContact SG-SG 3.63Å
348	H	92.6	Very high	90.4	Very high	78 Å²	78	42.7 Å²	42.7	36%	0.361	24%	0.242	S	C	.	.	P	Polyproline II helix	trans	-95.8	120.7	168.6	-173.4	-73.6	0	0	0	109.6	P350 F351 A374 D377	H348-P350 PolarHBondContact CE1-O 3.36Å; H348-P350 VanDerWaalsContact CE1-O 3.29Å; H348-P350 PolarHBondContact ND1-O 2.91Å; H348-F351 WeakPolarHBondContact O-CB 3.41Å; H348-F351 WeakPolarHBondContact O-CD1 3.18Å; H348-A374 PolarHBondContact N-O 3.43Å; H348-D377 WeakPolarHBondContact ND1-CA 3.29Å
349	F	90.6	Very high	90.7	Very high	86 Å²	86	48.7 Å²	48.7	38%	0.377	27%	0.269	S	S	.	.	S	Bend	trans	-122.6	133.3	174.8	-64.4	-60.8	0	0	0	111.4	C347 F351 H359 C373	C347-F349 HydrophobicContact CB-CD2 4.02Å; C347-F349 HydrophobicContact CB-CE1 4.37Å; C347-F349 HydrophobicContact CB-CE2 3.38Å; C347-F349 HydrophobicContact CB-CZ 3.58Å; F349-F351 AromaticContact CD1-CD1 3.96Å; F349-F351 HydrophobicContact CD1-CD1 3.96Å; F349-F351 HydrophobicContact CD1-CE1 4.22Å; F349-F351 AromaticContact CE1-CD1 3.98Å; F349-F351 HydrophobicContact CE1-CD1 3.98Å; F349-F351 AromaticContact CE1-CE1 3.8Å; F349-F351 HydrophobicContact CE1-CE1 3.8Å; F349-H359 VanDerWaalsContact CD1-C 3.41Å; F349-C373 HydrophobicContact CE1-CB 4.2Å; F349-C373 HydrophobicContact CZ-CB 4.05Å
350	P	95.1	Very high	91.2	Very high	49 Å²	49	52 Å²	52	32%	0.318	29%	0.291	S	S	.	.	S	Bend	cis	-69.1	158.6	-9.3	25.8	-30.3	0	0	0	113.4	H348 E357 Y358	H348-P350 PolarHBondContact CE1-O 3.36Å; H348-P350 VanDerWaalsContact CE1-O 3.29Å; H348-P350 PolarHBondContact ND1-O 2.91Å; P350-E357 HydrophobicContact CB-CG 3.57Å; P350-E357 WeakPolarHBondContact CB-OE1 3.19Å; P350-E357 HydrophobicContact CG-CG 4.43Å; P350-E357 WeakPolarHBondContact CG-OE1 3.27Å; P350-Y358 CarbonylContact C-O 3.44Å; P350-Y358 WeakPolarHBondContact CA-O 3.3Å
351	F	96.6	Very high	91.6	Very high	0 Å²	0	52.4 Å²	52.4	0%	0	29%	0.289	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-130.2	154.4	166.1	72.2	-90.9	0	0	0	112.2	H348 F349 F353 E357 Y358 T362 W372 C373 A374 T376 D377	H348-F351 WeakPolarHBondContact O-CB 3.41Å; H348-F351 WeakPolarHBondContact O-CD1 3.18Å; F349-F351 AromaticContact CD1-CD1 3.96Å; F349-F351 HydrophobicContact CD1-CD1 3.96Å; F349-F351 HydrophobicContact CD1-CE1 4.22Å; F349-F351 AromaticContact CE1-CD1 3.98Å; F349-F351 HydrophobicContact CE1-CD1 3.98Å; F349-F351 AromaticContact CE1-CE1 3.8Å; F349-F351 HydrophobicContact CE1-CE1 3.8Å; F351-F353 HydrophobicContact CD2-CB 4.23Å; F351-F353 HydrophobicContact CE2-CB 3.86Å; F351-E357 CarbonylContact O-C 3.48Å; F351-E357 WeakPolarHBondContact O-CA 3.16Å; F351-Y358 HydrophobicContact CD2-CD2 4.4Å; F351-Y358 HydrophobicContact CE1-CG 4.5Å; F351-Y358 AromaticContact CE2-CD2 3.95Å; F351-Y358 HydrophobicContact CE2-CD2 3.95Å; F351-Y358 HydrophobicContact CE2-CG 4.26Å; F351-Y358 HydrophobicContact CZ-CD2 4.22Å; F351-Y358 HydrophobicContact CZ-CG 4.06Å; F351-Y358 PolarHBondContact N-O 2.87Å; F351-Y358 PolarHBondContact O-N 3.11Å; F351-T362 HydrophobicContact CZ-CG2 4.1Å; F351-W372 AromaticContact CE2-CH2 3.83Å; F351-W372 HydrophobicContact CE2-CH2 3.83Å; F351-W372 HydrophobicContact CE2-CZ2 4.5Å; F351-W372 HydrophobicContact CE2-CZ3 4.03Å; F351-W372 HydrophobicContact CZ-CH2 4.38Å; F351-W372 HydrophobicContact CZ-CZ3 4.37Å; F351-C373 HydrophobicContact CE1-CB 3.92Å; F351-C373 HydrophobicContact CZ-CB 4.46Å; F351-A374 HydrophobicContact CB-CB 3.69Å; F351-A374 HydrophobicContact CD1-CB 4.17Å; F351-A374 HydrophobicContact CD2-CB 3.41Å; F351-A374 VanDerWaalsContact CD2-CB 3.41Å; F351-A374 HydrophobicContact CE2-CB 4.01Å; F351-A374 HydrophobicContact CG-CB 3.5Å; F351-T376 WeakPolarHBondContact CB-O 3.45Å; F351-D377 WeakPolarHBondContact CA-O 3.48Å
352	V	96.6	Very high	92.1	Very high	43 Å²	43	51 Å²	51	26%	0.261	28%	0.282	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-98.3	128.6	176.8	-178.5	0	0	0	0	111.1	K356 D377 Y379	V352-K356 CarbonylContact C-O 3.5Å; V352-K356 WeakPolarHBondContact CA-O 3.29Å; V352-D377 PolarHBondContact N-O 2.87Å; V352-Y379 WeakPolarHBondContact O-CB 3.47Å; V352-Y379 PolarHBondContact O-N 3.12Å
353	F	95.7	Very high	92.3	Very high	2 Å²	2	53.1 Å²	53.1	1%	0.009	30%	0.297	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-138.5	128.2	170.7	171.2	-115.8	0	0	0	110.6	V28 F30 F351 G355 K356 Y358 E364 W372 Y379	V28-F353 HydrophobicContact CB-CZ 4.45Å; V28-F353 HydrophobicContact CG2-CE2 4.43Å; V28-F353 HydrophobicContact CG2-CZ 3.96Å; F30-F353 HydrophobicContact CE1-CE2 4.4Å; F30-F353 HydrophobicContact CZ-CE2 4.33Å; F30-F353 HydrophobicContact CZ-CZ 4.04Å; F351-F353 HydrophobicContact CD2-CB 4.23Å; F351-F353 HydrophobicContact CE2-CB 3.86Å; F353-G355 PolarHBondContact O-N 2.92Å; F353-K356 PolarHBondContact N-O 3.19Å; F353-K356 PolarHBondContact O-N 3.36Å; F353-Y358 HydrophobicContact CB-CD2 4.13Å; F353-Y358 HydrophobicContact CB-CE2 3.73Å; F353-Y358 HydrophobicContact CD1-CE2 4.16Å; F353-Y358 HydrophobicContact CG-CE2 4.45Å; F353-E364 HydrophobicContact CE1-CB 4.32Å; F353-E364 HydrophobicContact CE1-CG 4.26Å; F353-W372 HydrophobicContact CB-CH2 4.07Å; F353-W372 HydrophobicContact CB-CZ2 4.42Å; F353-W372 HydrophobicContact CD1-CH2 4.17Å; F353-W372 AromaticContact CD1-CZ2 3.69Å; F353-W372 HydrophobicContact CD1-CZ2 3.69Å; F353-W372 AromaticContact CD2-CH2 3.75Å; F353-W372 HydrophobicContact CD2-CH2 3.75Å; F353-W372 AromaticContact CD2-CZ2 3.94Å; F353-W372 HydrophobicContact CD2-CZ2 3.94Å; F353-W372 AromaticContact CE1-CZ2 3.78Å; F353-W372 HydrophobicContact CE1-CZ2 3.78Å; F353-W372 HydrophobicContact CE2-CH2 4.13Å; F353-W372 HydrophobicContact CE2-CZ2 4.01Å; F353-W372 AromaticContact CG-CH2 3.74Å; F353-W372 HydrophobicContact CG-CH2 3.74Å; F353-W372 AromaticContact CG-CZ2 3.76Å; F353-W372 HydrophobicContact CG-CZ2 3.76Å; F353-W372 HydrophobicContact CZ-CH2 4.5Å; F353-W372 AromaticContact CZ-CZ2 3.92Å; F353-W372 HydrophobicContact CZ-CZ2 3.92Å; F353-Y379 AromaticContact CD2-CD1 3.38Å; F353-Y379 HydrophobicContact CD2-CD1 3.38Å; F353-Y379 AromaticContact CD2-CE1 3.83Å; F353-Y379 HydrophobicContact CD2-CE1 3.83Å; F353-Y379 HydrophobicContact CD2-CG 4.09Å; F353-Y379 AromaticContact CE2-CD1 3.81Å; F353-Y379 HydrophobicContact CE2-CD1 3.81Å; F353-Y379 AromaticContact CE2-CE1 3.72Å; F353-Y379 HydrophobicContact CE2-CE1 3.72Å
354	Q	92.6	Very high	92.7	Very high	77 Å²	77	54.3 Å²	54.3	36%	0.36	30%	0.303	S	S	.	.	T	Hydrogen-bonded Turn	trans	50.3	38.7	-171.6	-58.9	-170.1	-7.7	0	0	113.3	K356 D380	Q354-K356 PolarHBondContact O-N 2.92Å; Q354-D380 WeakPolarHBondContact CA-OD2 3.49Å; Q354-D380 VanDerWaalsContact N-CG 3.25Å; Q354-D380 PolarHBondContact N-OD1 3.47Å; Q354-D380 PolarHBondContact N-OD2 3.46Å
355	G	92.1	Very high	92.8	Very high	67 Å²	67	54.6 Å²	54.6	69%	0.691	31%	0.306	S	S	*	.	T	Hydrogen-bonded Turn	trans	69.2	10.9	-177.7	0	0	0	0	0	115.4	F353 D380	F353-G355 PolarHBondContact O-N 2.92Å; G355-D380 PolarHBondContact N-OD2 2.89Å
356	K	95.3	Very high	92.7	Very high	102 Å²	102	52.8 Å²	52.8	44%	0.443	29%	0.294	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-111.3	142.7	173.8	178.7	175.6	156.2	-152	0	110.3	V352 F353 Q354 Y358 E364	V352-K356 CarbonylContact C-O 3.5Å; V352-K356 WeakPolarHBondContact CA-O 3.29Å; F353-K356 PolarHBondContact N-O 3.19Å; F353-K356 PolarHBondContact O-N 3.36Å; Q354-K356 PolarHBondContact O-N 2.92Å; K356-Y358 HydrophobicContact CB-CE2 3.95Å; K356-Y358 HydrophobicContact CD-CE1 4.41Å; K356-Y358 HydrophobicContact CD-CE2 4.39Å; K356-Y358 WeakPolarHBondContact CD-OH 3.33Å; K356-Y358 HydrophobicContact CG-CE2 3.98Å; K356-Y358 PolarHBondContact NZ-OH 3.13Å; K356-Y358 VanDerWaalsContact O-CD2 3.32Å; K356-Y358 WeakPolarHBondContact O-CD2 3.3Å; K356-Y358 WeakPolarHBondContact O-CE2 3.48Å; K356-E364 IonicContact NZ-OE1 3.59Å; K356-E364 IonicContact NZ-OE2 3.88Å; K356-E364 PolarHBondContact NZ-OE2 2.73Å
357	E	96.4	Very high	92.1	Very high	110 Å²	110	55.8 Å²	55.8	51%	0.514	31%	0.312	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-90.8	137.4	-179.8	-166.9	175.7	-175.6	0	0	111.2	P350 F351 H359	P350-E357 HydrophobicContact CB-CG 3.57Å; P350-E357 WeakPolarHBondContact CB-OE1 3.19Å; P350-E357 HydrophobicContact CG-CG 4.43Å; P350-E357 WeakPolarHBondContact CG-OE1 3.27Å; F351-E357 CarbonylContact O-C 3.48Å; F351-E357 WeakPolarHBondContact O-CA 3.16Å; E357-H359 IonicContact OE1-CE1 3.36Å; E357-H359 IonicContact OE1-NE2 2.66Å
358	Y	94.6	Very high	91.4	Very high	15 Å²	15	58 Å²	58	6%	0.059	32%	0.323	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-126.2	131.6	179.3	-61	-97.1	0	0	0	110.4	P350 F351 F353 K356 T362 E364	P350-Y358 CarbonylContact C-O 3.44Å; P350-Y358 WeakPolarHBondContact CA-O 3.3Å; F351-Y358 HydrophobicContact CD2-CD2 4.4Å; F351-Y358 HydrophobicContact CE1-CG 4.5Å; F351-Y358 AromaticContact CE2-CD2 3.95Å; F351-Y358 HydrophobicContact CE2-CD2 3.95Å; F351-Y358 HydrophobicContact CE2-CG 4.26Å; F351-Y358 HydrophobicContact CZ-CD2 4.22Å; F351-Y358 HydrophobicContact CZ-CG 4.06Å; F351-Y358 PolarHBondContact N-O 2.87Å; F351-Y358 PolarHBondContact O-N 3.11Å; F353-Y358 HydrophobicContact CB-CD2 4.13Å; F353-Y358 HydrophobicContact CB-CE2 3.73Å; F353-Y358 HydrophobicContact CD1-CE2 4.16Å; F353-Y358 HydrophobicContact CG-CE2 4.45Å; K356-Y358 HydrophobicContact CB-CE2 3.95Å; K356-Y358 HydrophobicContact CD-CE1 4.41Å; K356-Y358 HydrophobicContact CD-CE2 4.39Å; K356-Y358 WeakPolarHBondContact CD-OH 3.33Å; K356-Y358 HydrophobicContact CG-CE2 3.98Å; K356-Y358 PolarHBondContact NZ-OH 3.13Å; K356-Y358 VanDerWaalsContact O-CD2 3.32Å; K356-Y358 WeakPolarHBondContact O-CD2 3.3Å; K356-Y358 WeakPolarHBondContact O-CE2 3.48Å; Y358-T362 HydrophobicContact CD1-CG2 3.89Å; Y358-T362 HydrophobicContact CE1-CG2 4Å; Y358-T362 HydrophobicContact CG-CG2 4.4Å; Y358-E364 HydrophobicContact CE1-CB 4.43Å; Y358-E364 WeakPolarHBondContact CE1-OE2 3.21Å; Y358-E364 PolarHBondContact OH-OE1 2.59Å; Y358-E364 PolarHBondContact OH-OE2 2.94Å
359	H	93.8	Very high	90.9	Very high	129 Å²	129	56.6 Å²	56.6	60%	0.597	33%	0.329	S	S	*	.	S	Bend	trans	-107	6.7	177.4	-61.2	-85.7	0	0	0	113	F349 E357	F349-H359 VanDerWaalsContact CD1-C 3.41Å; E357-H359 IonicContact OE1-CE1 3.36Å; E357-H359 IonicContact OE1-NE2 2.66Å
360	S	93.1	Very high	90.7	Very high	76 Å²	76	55 Å²	55	53%	0.531	32%	0.322	S	S	.	.	S	Bend	trans	-152.9	166.3	178.6	66.2	0	0	0	0	109.3
361	C	93.8	Very high	90.5	Very high	37 Å²	37	57.2 Å²	57.2	25%	0.25	33%	0.33	C	S	.	.			trans	-54.9	146.1	171.3	-56.3	0	0	0	0	111.4	L371 W372 C388	C361-L371 HydrophobicContact CB-CB 4.02Å; C361-W372 WeakPolarHBondContact CA-O 3.09Å; C361-C388 HydrophobicContact CB-CB 3.8Å; C361-C388 WeakPolarHBondContact CB-SG 3.39Å; C361-C388 WeakPolarHBondContact SG-CB 3.26Å; C361-C388 CovalentContact SG-SG 2.01Å; C361-C388 PolarHBondContact SG-SG 3.31Å
362	T	94.1	Very high	90.4	Very high	18 Å²	18	57.2 Å²	57.2	11%	0.11	33%	0.33	C	S	.	.	B	Isolated β-bridge	trans	-134.5	154.2	-177.4	-172.8	0	0	0	0	110.3	F351 Y358 E364 W372	F351-T362 HydrophobicContact CZ-CG2 4.1Å; Y358-T362 HydrophobicContact CD1-CG2 3.89Å; Y358-T362 HydrophobicContact CE1-CG2 4Å; Y358-T362 HydrophobicContact CG-CG2 4.4Å; T362-E364 HydrophobicContact CG2-CB 4.24Å; T362-E364 VanDerWaalsContact OG1-CB 3.32Å; T362-E364 WeakPolarHBondContact OG1-CB 3.38Å; T362-E364 PolarHBondContact OG1-N 2.78Å; T362-E364 VanDerWaalsContact OG1-N 3.14Å; T362-W372 HydrophobicContact CG2-CZ2 4.2Å; T362-W372 PolarHBondContact N-O 3.32Å; T362-W372 PolarHBondContact O-N 3.2Å
363	S	92.3	Very high	90.3	Very high	50 Å²	50	55.2 Å²	55.2	35%	0.35	32%	0.318	S	S	.	.			trans	-99.3	5	168.1	66	0	0	0	0	111.8	G365 R366	S363-G365 PolarHBondContact O-N 3.15Å; S363-R366 PolarHBondContact O-N 2.66Å
364	E	91.1	Very high	90.3	Very high	66 Å²	66	55.1 Å²	55.1	31%	0.308	32%	0.317	S	S	.	.	T	Hydrogen-bonded Turn	trans	-62	134.4	-177.1	-163.6	160.1	164.3	0	0	110.3	F353 K356 Y358 T362 W372	F353-E364 HydrophobicContact CE1-CB 4.32Å; F353-E364 HydrophobicContact CE1-CG 4.26Å; K356-E364 IonicContact NZ-OE1 3.59Å; K356-E364 IonicContact NZ-OE2 3.88Å; K356-E364 PolarHBondContact NZ-OE2 2.73Å; Y358-E364 HydrophobicContact CE1-CB 4.43Å; Y358-E364 WeakPolarHBondContact CE1-OE2 3.21Å; Y358-E364 PolarHBondContact OH-OE1 2.59Å; Y358-E364 PolarHBondContact OH-OE2 2.94Å; T362-E364 HydrophobicContact CG2-CB 4.24Å; T362-E364 VanDerWaalsContact OG1-CB 3.32Å; T362-E364 WeakPolarHBondContact OG1-CB 3.38Å; T362-E364 PolarHBondContact OG1-N 2.78Å; T362-E364 VanDerWaalsContact OG1-N 3.14Å; E364-W372 PolarHBondContact O-NE1 2.85Å
365	G	85.1	Confident	90.4	Very high	8 Å²	8	52.5 Å²	52.5	8%	0.082	31%	0.307	C	S	.	.	T	Hydrogen-bonded Turn	trans	90.6	-15.9	-171.4	0	0	0	0	0	115.1	V26 V28 S363	V26-G365 WeakPolarHBondContact O-CA 3.2Å; V28-G365 PolarHBondContact N-O 2.83Å; S363-G365 PolarHBondContact O-N 3.15Å
366	R	84.7	Confident	90.5	Very high	23 Å²	23	50.9 Å²	50.9	9%	0.087	28%	0.284	C	S	.	.			trans	-110.8	151.3	-177.2	-54.5	-168.9	67.4	83.2	-0.5	113.6	F30 D33 S363 D368 K370 W385 F387	F30-R366 HydrophobicContact CD2-CG 4.38Å; F30-R366 HydrophobicContact CE2-CG 3.74Å; F30-R366 HydrophobicContact CZ-CG 4.38Å; D33-R366 IonicContact OD1-NH1 3.38Å; D33-R366 IonicContact OD1-NH2 3.07Å; D33-R366 PolarHBondContact OD1-NH2 3.47Å; D33-R366 IonicContact OD2-CZ 3.73Å; D33-R366 IonicContact OD2-NH1 2.66Å; D33-R366 PolarHBondContact OD2-NH1 2.81Å; D33-R366 IonicContact OD2-NH2 2.76Å; D33-R366 PolarHBondContact OD2-NH2 2.63Å; S363-R366 PolarHBondContact O-N 2.66Å; R366-D368 WeakPolarHBondContact CB-OD1 3.48Å; R366-D368 IonicContact CZ-OD1 3.73Å; R366-D368 IonicContact CZ-OD2 3.73Å; R366-D368 IonicContact NE-OD1 3.87Å; R366-D368 PolarHBondContact NE-OD1 3.21Å; R366-D368 IonicContact NE-OD2 3.88Å; R366-D368 PolarHBondContact NE-OD2 3.21Å; R366-D368 IonicContact NH2-OD1 2.69Å; R366-D368 IonicContact NH2-OD2 3.72Å; R366-D368 PolarHBondContact NH2-OD2 3Å; R366-K370 WeakPolarHBondContact CD-O 3.48Å; R366-W385 VanDerWaalsContact NH1-CH2 3.28Å; R366-F387 VanDerWaalsContact CZ-CE1 3.42Å
367	T	77.2	Confident	90.5	Very high	111 Å²	111	50.5 Å²	50.5	68%	0.681	29%	0.287	S	S	*	.	S	Bend	trans	-106	-18	177.6	47.6	0	0	0	0	113.9	F27 G369	F27-T367 HydrophobicContact CD2-CG2 3.67Å; F27-T367 HydrophobicContact CE2-CG2 3.84Å; T367-G369 VanDerWaalsContact C-N 3.25Å
368	D	75.9	Confident	90.4	Very high	72 Å²	72	47.4 Å²	47.4	39%	0.385	27%	0.274	S	S	.	.	S	Bend	trans	-77.8	-11.9	175.8	58.4	9.3	0	0	0	112.8	R366 K370	R366-D368 WeakPolarHBondContact CB-OD1 3.48Å; R366-D368 IonicContact CZ-OD1 3.73Å; R366-D368 IonicContact CZ-OD2 3.73Å; R366-D368 IonicContact NE-OD1 3.87Å; R366-D368 PolarHBondContact NE-OD1 3.21Å; R366-D368 IonicContact NE-OD2 3.88Å; R366-D368 PolarHBondContact NE-OD2 3.21Å; R366-D368 IonicContact NH2-OD1 2.69Å; R366-D368 IonicContact NH2-OD2 3.72Å; R366-D368 PolarHBondContact NH2-OD2 3Å; D368-K370 HydrophobicContact CB-CG 4.27Å; D368-K370 PolarHBondContact O-N 3.3Å; D368-K370 PolarHBondContact OD1-N 3.48Å; D368-K370 WeakPolarHBondContact OD2-CD 3.44Å
369	G	82	Confident	90.5	Very high	47 Å²	47	47.1 Å²	47.1	49%	0.485	27%	0.272	S	S	.	.			trans	76.3	5.6	-179.3	0	0	0	0	0	114	T367	T367-G369 VanDerWaalsContact C-N 3.25Å
370	K	86.3	Confident	90.4	Very high	53 Å²	53	44.4 Å²	44.4	23%	0.23	26%	0.262	C	S	.	.			trans	-65.8	140.1	177.7	-64.1	-172.1	-166	-166	0	110	K185 D186 R366 D368 F387	K185-K370 PolarHBondContact O-NZ 3.37Å; D186-K370 WeakPolarHBondContact OD2-CE 3.45Å; D186-K370 IonicContact OD2-NZ 2.82Å; D186-K370 PolarHBondContact OD2-NZ 3.38Å; R366-K370 WeakPolarHBondContact CD-O 3.48Å; D368-K370 HydrophobicContact CB-CG 4.27Å; D368-K370 PolarHBondContact O-N 3.3Å; D368-K370 PolarHBondContact OD1-N 3.48Å; D368-K370 WeakPolarHBondContact OD2-CD 3.44Å; K370-F387 HydrophobicContact CB-CD1 3.88Å; K370-F387 HydrophobicContact CB-CE1 3.7Å; K370-F387 HydrophobicContact CD-CD1 4.11Å; K370-F387 HydrophobicContact CD-CE1 3.63Å; K370-F387 HydrophobicContact CD-CZ 4.09Å; K370-F387 HydrophobicContact CG-CE1 4.32Å
371	L	92.4	Very high	90.4	Very high	96 Å²	96	48.4 Å²	48.4	50%	0.503	27%	0.27	S	S	.	.			trans	-85.3	133.3	178.4	-66.8	178.1	0	0	0	110.2	C361 C388	C361-L371 HydrophobicContact CB-CB 4.02Å; L371-C388 HydrophobicContact CB-CB 4.45Å; L371-C388 PolarHBondContact O-N 2.99Å
372	W	93.8	Very high	90.4	Very high	0 Å²	0	49.3 Å²	49.3	0%	0	27%	0.273	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-136.3	164	179.5	75.8	-85.6	0	0	0	111	F30 F351 F353 C361 T362 E364 A374 Y379 W385 G386	F30-W372 AromaticContact CE1-CD2 3.79Å; F30-W372 HydrophobicContact CE1-CD2 3.79Å; F30-W372 AromaticContact CE1-CE2 3.49Å; F30-W372 VanDerWaalsContact CE1-CE2 3.49Å; F30-W372 AromaticContact CE1-CE3 3.94Å; F30-W372 HydrophobicContact CE1-CE3 3.94Å; F30-W372 AromaticContact CE1-CH2 3.61Å; F30-W372 HydrophobicContact CE1-CH2 3.61Å; F30-W372 AromaticContact CE1-CZ2 3.42Å; F30-W372 HydrophobicContact CE1-CZ2 3.42Å; F30-W372 VanDerWaalsContact CE1-CZ2 3.42Å; F30-W372 AromaticContact CE1-CZ3 3.86Å; F30-W372 HydrophobicContact CE1-CZ3 3.86Å; F30-W372 HydrophobicContact CZ-CD2 4.05Å; F30-W372 AromaticContact CZ-CE2 3.4Å; F30-W372 HydrophobicContact CZ-CH2 4.15Å; F30-W372 AromaticContact CZ-CZ2 3.48Å; F30-W372 HydrophobicContact CZ-CZ2 3.48Å; F30-W372 VanDerWaalsContact CZ-CZ2 3.48Å; F30-W372 AromaticContact CZ-NE1 3.55Å; F351-W372 AromaticContact CE2-CH2 3.83Å; F351-W372 HydrophobicContact CE2-CH2 3.83Å; F351-W372 HydrophobicContact CE2-CZ2 4.5Å; F351-W372 HydrophobicContact CE2-CZ3 4.03Å; F351-W372 HydrophobicContact CZ-CH2 4.38Å; F351-W372 HydrophobicContact CZ-CZ3 4.37Å; F353-W372 HydrophobicContact CB-CH2 4.07Å; F353-W372 HydrophobicContact CB-CZ2 4.42Å; F353-W372 HydrophobicContact CD1-CH2 4.17Å; F353-W372 AromaticContact CD1-CZ2 3.69Å; F353-W372 HydrophobicContact CD1-CZ2 3.69Å; F353-W372 AromaticContact CD2-CH2 3.75Å; F353-W372 HydrophobicContact CD2-CH2 3.75Å; F353-W372 AromaticContact CD2-CZ2 3.94Å; F353-W372 HydrophobicContact CD2-CZ2 3.94Å; F353-W372 AromaticContact CE1-CZ2 3.78Å; F353-W372 HydrophobicContact CE1-CZ2 3.78Å; F353-W372 HydrophobicContact CE2-CH2 4.13Å; F353-W372 HydrophobicContact CE2-CZ2 4.01Å; F353-W372 AromaticContact CG-CH2 3.74Å; F353-W372 HydrophobicContact CG-CH2 3.74Å; F353-W372 AromaticContact CG-CZ2 3.76Å; F353-W372 HydrophobicContact CG-CZ2 3.76Å; F353-W372 HydrophobicContact CZ-CH2 4.5Å; F353-W372 AromaticContact CZ-CZ2 3.92Å; F353-W372 HydrophobicContact CZ-CZ2 3.92Å; C361-W372 WeakPolarHBondContact CA-O 3.09Å; T362-W372 HydrophobicContact CG2-CZ2 4.2Å; T362-W372 PolarHBondContact N-O 3.32Å; T362-W372 PolarHBondContact O-N 3.2Å; E364-W372 PolarHBondContact O-NE1 2.85Å; W372-A374 HydrophobicContact CZ3-CB 4.44Å; W372-Y379 HydrophobicContact CH2-CD1 4.39Å; W372-Y379 AromaticContact CH2-CD2 3.97Å; W372-Y379 HydrophobicContact CH2-CD2 3.97Å; W372-Y379 HydrophobicContact CH2-CE2 4.35Å; W372-Y379 AromaticContact CH2-CG 3.98Å; W372-Y379 HydrophobicContact CH2-CG 3.98Å; W372-Y379 AromaticContact CZ3-CD2 3.7Å; W372-Y379 HydrophobicContact CZ3-CD2 3.7Å; W372-Y379 HydrophobicContact CZ3-CE2 4.08Å; W372-Y379 HydrophobicContact CZ3-CG 4.14Å; W372-W385 HydrophobicContact CB-CE3 3.83Å; W372-W385 HydrophobicContact CB-CZ3 3.97Å; W372-W385 HydrophobicContact CD2-CE3 4.24Å; W372-W385 HydrophobicContact CE3-CB 3.81Å; W372-W385 HydrophobicContact CE3-CD2 4.5Å; W372-W385 HydrophobicContact CE3-CE3 4.03Å; W372-W385 HydrophobicContact CE3-CG 4.45Å; W372-W385 HydrophobicContact CG-CE3 4.18Å; W372-W385 HydrophobicContact CG-CZ3 4.45Å; W372-W385 HydrophobicContact CZ3-CB 3.93Å; W372-G386 WeakPolarHBondContact CA-O 3.41Å; W372-G386 WeakPolarHBondContact CB-O 3.18Å
373	C	95	Very high	90.4	Very high	0 Å²	0	53.4 Å²	53.4	0%	0	29%	0.29	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-142.6	158.4	173.3	67.5	0	0	0	0	110.8	V337 C347 F349 F351 W385 G386	V337-C373 WeakPolarHBondContact CG1-SG 3.33Å; C347-C373 WeakPolarHBondContact CA-SG 3.3Å; C347-C373 HydrophobicContact CB-CB 3.7Å; C347-C373 WeakPolarHBondContact CB-SG 3.33Å; C347-C373 WeakPolarHBondContact SG-CB 3.39Å; C347-C373 CovalentContact SG-SG 2.02Å; C347-C373 PolarHBondContact SG-SG 3.44Å; F349-C373 HydrophobicContact CE1-CB 4.2Å; F349-C373 HydrophobicContact CZ-CB 4.05Å; F351-C373 HydrophobicContact CE1-CB 3.92Å; F351-C373 HydrophobicContact CZ-CB 4.46Å; C373-W385 WeakPolarHBondContact O-CA 3.37Å; C373-W385 WeakPolarHBondContact O-CB 3.35Å; C373-G386 PolarHBondContact N-O 3.29Å; C373-G386 VanDerWaalsContact N-O 3.15Å; C373-G386 PolarHBondContact O-N 3.25Å
374	A	95.8	Very high	90.4	Very high	0 Å²	0	55.4 Å²	55.4	0%	0	29%	0.293	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-78	147.3	165.5	0	0	0	0	0	110.1	H348 F351 W372 T376 K384	H348-A374 PolarHBondContact N-O 3.43Å; F351-A374 HydrophobicContact CB-CB 3.69Å; F351-A374 HydrophobicContact CD1-CB 4.17Å; F351-A374 HydrophobicContact CD2-CB 3.41Å; F351-A374 VanDerWaalsContact CD2-CB 3.41Å; F351-A374 HydrophobicContact CE2-CB 4.01Å; F351-A374 HydrophobicContact CG-CB 3.5Å; W372-A374 HydrophobicContact CZ3-CB 4.44Å; A374-T376 WeakPolarHBondContact CB-O 3.42Å; A374-K384 WeakPolarHBondContact CA-O 3.15Å
375	T	93.6	Very high	90.5	Very high	22 Å²	22	52.2 Å²	52.2	14%	0.135	28%	0.278	C	S	.	.	S	Bend	trans	-96.4	2.4	173.2	53.7	0	0	0	0	112	V337 S342 D345 K384	V337-T375 HydrophobicContact CG1-CG2 4.03Å; V337-T375 HydrophobicContact CG2-CG2 3.83Å; S342-T375 WeakPolarHBondContact CB-OG1 3.11Å; S342-T375 PolarHBondContact OG-OG1 2.89Å; D345-T375 HydrophobicContact CB-CG2 3.98Å; T375-K384 PolarHBondContact N-O 3.48Å; T375-K384 VanDerWaalsContact N-O 3.15Å; T375-K384 WeakPolarHBondContact OG1-CB 3.35Å
376	T	94.1	Very high	90.8	Very high	33 Å²	33	51.9 Å²	51.9	20%	0.202	27%	0.274	C	S	.	.	S	Bend	trans	-126.7	169.2	170.8	71	0	0	0	0	111	F351 A374 N378 D382 K384	F351-T376 WeakPolarHBondContact CB-O 3.45Å; A374-T376 WeakPolarHBondContact CB-O 3.42Å; T376-N378 PolarHBondContact O-N 2.89Å; T376-N378 PolarHBondContact OG1-O 2.62Å; T376-D382 VanDerWaalsContact CB-OD2 3.23Å; T376-D382 WeakPolarHBondContact CB-OD2 3.2Å; T376-D382 HydrophobicContact CG2-CB 4.16Å; T376-D382 WeakPolarHBondContact OG1-CB 3.5Å; T376-D382 PolarHBondContact OG1-OD2 3.1Å; T376-K384 HydrophobicContact CG2-CB 3.94Å; T376-K384 HydrophobicContact CG2-CG 4.36Å
377	D	95.6	Very high	91.1	Very high	95 Å²	95	51.2 Å²	51.2	51%	0.508	27%	0.272	S	S	.	.	S	Bend	trans	-64.4	-21.3	178.6	63.8	-44.5	0	0	0	113.2	H348 F351 V352	H348-D377 WeakPolarHBondContact ND1-CA 3.29Å; F351-D377 WeakPolarHBondContact CA-O 3.48Å; V352-D377 PolarHBondContact N-O 2.87Å
378	N	95.3	Very high	91.8	Very high	45 Å²	45	46.4 Å²	46.4	24%	0.241	24%	0.242	C	C	.	.	B	Isolated β-bridge	trans	-143.6	100.9	-177.3	-166	-42.2	0	0	0	113.1	T376 D380 K381 D382	T376-N378 PolarHBondContact O-N 2.89Å; T376-N378 PolarHBondContact OG1-O 2.62Å; N378-D380 VanDerWaalsContact C-N 3.34Å; N378-D380 PolarHBondContact O-N 3.23Å; N378-D380 WeakPolarHBondContact OD1-CA 3.36Å; N378-D380 WeakPolarHBondContact OD1-CB 3.35Å; N378-D380 PolarHBondContact OD1-N 2.97Å; N378-K381 HydrophobicContact CB-CB 4.24Å; N378-K381 PolarHBondContact O-N 2.96Å; N378-K381 PolarHBondContact OD1-N 2.84Å; N378-K381 VanDerWaalsContact OD1-N 3.07Å; N378-D382 PolarHBondContact O-N 2.9Å
379	Y	94.9	Very high	92.2	Very high	9 Å²	9	45.3 Å²	45.3	4%	0.035	24%	0.239	C	C	.	.	H	α-helix	trans	-63.6	-39.3	175.1	177.5	-86.5	0	0	0	112.4	F30 P31 V352 F353 W372 K381 D382 Q383 W385	F30-Y379 AromaticContact CD1-CE2 3.83Å; F30-Y379 HydrophobicContact CD1-CE2 3.83Å; F30-Y379 AromaticContact CD1-CZ 3.55Å; F30-Y379 WeakPolarHBondContact CD1-OH 3.24Å; F30-Y379 HydrophobicContact CE1-CE1 4.29Å; F30-Y379 AromaticContact CE1-CE2 3.99Å; F30-Y379 HydrophobicContact CE1-CE2 3.99Å; F30-Y379 AromaticContact CE1-CZ 3.68Å; P31-Y379 VanDerWaalsContact CD-OH 3.27Å; P31-Y379 WeakPolarHBondContact CD-OH 3.44Å; V352-Y379 WeakPolarHBondContact O-CB 3.47Å; V352-Y379 PolarHBondContact O-N 3.12Å; F353-Y379 AromaticContact CD2-CD1 3.38Å; F353-Y379 HydrophobicContact CD2-CD1 3.38Å; F353-Y379 AromaticContact CD2-CE1 3.83Å; F353-Y379 HydrophobicContact CD2-CE1 3.83Å; F353-Y379 HydrophobicContact CD2-CG 4.09Å; F353-Y379 AromaticContact CE2-CD1 3.81Å; F353-Y379 HydrophobicContact CE2-CD1 3.81Å; F353-Y379 AromaticContact CE2-CE1 3.72Å; F353-Y379 HydrophobicContact CE2-CE1 3.72Å; W372-Y379 HydrophobicContact CH2-CD1 4.39Å; W372-Y379 AromaticContact CH2-CD2 3.97Å; W372-Y379 HydrophobicContact CH2-CD2 3.97Å; W372-Y379 HydrophobicContact CH2-CE2 4.35Å; W372-Y379 AromaticContact CH2-CG 3.98Å; W372-Y379 HydrophobicContact CH2-CG 3.98Å; W372-Y379 AromaticContact CZ3-CD2 3.7Å; W372-Y379 HydrophobicContact CZ3-CD2 3.7Å; W372-Y379 HydrophobicContact CZ3-CE2 4.08Å; W372-Y379 HydrophobicContact CZ3-CG 4.14Å; Y379-K381 PolarHBondContact O-N 3.1Å; Y379-K381 VanDerWaalsContact O-N 3.09Å; Y379-D382 PolarHBondContact O-N 3.22Å; Y379-Q383 VanDerWaalsContact O-CA 3.24Å; Y379-Q383 WeakPolarHBondContact O-CA 3.12Å; Y379-Q383 PolarHBondContact O-N 3.1Å; Y379-W385 HydrophobicContact CD2-CB 3.95Å; Y379-W385 HydrophobicContact CE2-CB 3.74Å; Y379-W385 AromaticContact CE2-CD1 3.85Å; Y379-W385 AromaticContact CE2-CG 3.85Å; Y379-W385 HydrophobicContact CE2-CG 3.85Å
380	D	92.6	Very high	92.5	Very high	71 Å²	71	46 Å²	46	38%	0.38	23%	0.232	S	C	.	.	H	α-helix	trans	-59.9	-26.9	-176.5	-63.3	-29.5	0	0	0	112	Q354 G355 N378	Q354-D380 WeakPolarHBondContact CA-OD2 3.49Å; Q354-D380 VanDerWaalsContact N-CG 3.25Å; Q354-D380 PolarHBondContact N-OD1 3.47Å; Q354-D380 PolarHBondContact N-OD2 3.46Å; G355-D380 PolarHBondContact N-OD2 2.89Å; N378-D380 VanDerWaalsContact C-N 3.34Å; N378-D380 PolarHBondContact O-N 3.23Å; N378-D380 WeakPolarHBondContact OD1-CA 3.36Å; N378-D380 WeakPolarHBondContact OD1-CB 3.35Å; N378-D380 PolarHBondContact OD1-N 2.97Å
381	K	94.1	Very high	92.7	Very high	160 Å²	160	50.1 Å²	50.1	70%	0.696	25%	0.252	S	S	*	.	H	α-helix	trans	-91.1	-51.7	177.4	-175.4	-169.9	167.8	-156.3	0	112.8	N378 Y379	N378-K381 HydrophobicContact CB-CB 4.24Å; N378-K381 PolarHBondContact O-N 2.96Å; N378-K381 PolarHBondContact OD1-N 2.84Å; N378-K381 VanDerWaalsContact OD1-N 3.07Å; Y379-K381 PolarHBondContact O-N 3.1Å; Y379-K381 VanDerWaalsContact O-N 3.09Å
382	D	93.6	Very high	92.7	Very high	57 Å²	57	46 Å²	46	31%	0.305	23%	0.233	S	C	.	.	H	α-helix	trans	-95.5	-22.1	-167	-52.5	-38.5	0	0	0	112.7	T376 N378 Y379 K384	T376-D382 VanDerWaalsContact CB-OD2 3.23Å; T376-D382 WeakPolarHBondContact CB-OD2 3.2Å; T376-D382 HydrophobicContact CG2-CB 4.16Å; T376-D382 WeakPolarHBondContact OG1-CB 3.5Å; T376-D382 PolarHBondContact OG1-OD2 3.1Å; N378-D382 PolarHBondContact O-N 2.9Å; Y379-D382 PolarHBondContact O-N 3.22Å; D382-K384 HydrophobicContact CB-CB 4.45Å; D382-K384 HydrophobicContact CB-CG 4.29Å; D382-K384 PolarHBondContact O-N 2.77Å
383	Q	93.3	Very high	92.7	Very high	103 Å²	103	46.8 Å²	46.8	48%	0.481	24%	0.236	S	C	.	.			trans	54.3	30.1	-177.9	-50.3	-172.1	-38.2	0	0	113.9	P31 N341 Y379	P31-Q383 HydrophobicContact CG-CB 4.04Å; N341-Q383 PolarHBondContact ND2-O 3.39Å; Y379-Q383 VanDerWaalsContact O-CA 3.24Å; Y379-Q383 WeakPolarHBondContact O-CA 3.12Å; Y379-Q383 PolarHBondContact O-N 3.1Å
384	K	92.9	Very high	92.9	Very high	92 Å²	92	47 Å²	47	40%	0.4	24%	0.237	S	C	.	.			trans	-97.4	120.9	-179.3	-75	-72.6	-178.9	174	0	111	N341 S342 A374 T375 T376 D382	N341-K384 PolarHBondContact O-NZ 3.23Å; N341-K384 VanDerWaalsContact O-NZ 3.17Å; N341-K384 WeakPolarHBondContact OD1-CA 3.39Å; S342-K384 WeakPolarHBondContact OG-CB 3.44Å; S342-K384 WeakPolarHBondContact OG-CD 3.46Å; A374-K384 WeakPolarHBondContact CA-O 3.15Å; T375-K384 PolarHBondContact N-O 3.48Å; T375-K384 VanDerWaalsContact N-O 3.15Å; T375-K384 WeakPolarHBondContact OG1-CB 3.35Å; T376-K384 HydrophobicContact CG2-CB 3.94Å; T376-K384 HydrophobicContact CG2-CG 4.36Å; D382-K384 HydrophobicContact CB-CB 4.45Å; D382-K384 HydrophobicContact CB-CG 4.29Å; D382-K384 PolarHBondContact O-N 2.77Å
385	W	93.1	Very high	93	Very high	0 Å²	0	47 Å²	47	0%	0	24%	0.237	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-157.4	167.3	-172.2	76.4	-67.9	0	0	0	113	F30 P31 D33 N341 S342 R366 W372 C373 Y379 F387	F30-W385 HydrophobicContact CB-CD2 4.2Å; F30-W385 VanDerWaalsContact CB-CE2 3.44Å; F30-W385 HydrophobicContact CB-CH2 4.01Å; F30-W385 HydrophobicContact CB-CZ2 3.34Å; F30-W385 AromaticContact CD1-CD2 3.68Å; F30-W385 HydrophobicContact CD1-CD2 3.68Å; F30-W385 AromaticContact CD1-CE2 3.83Å; F30-W385 HydrophobicContact CD1-CE3 4.05Å; F30-W385 HydrophobicContact CD1-CG 4.01Å; F30-W385 HydrophobicContact CD1-CZ2 4.32Å; F30-W385 HydrophobicContact CD1-CZ3 4.49Å; F30-W385 HydrophobicContact CE1-CD2 4.49Å; F30-W385 HydrophobicContact CG-CD2 4.21Å; F30-W385 AromaticContact CG-CE2 3.95Å; F30-W385 HydrophobicContact CG-CE3 4.49Å; F30-W385 HydrophobicContact CG-CH2 4.28Å; F30-W385 AromaticContact CG-CZ2 4Å; F30-W385 HydrophobicContact CG-CZ2 4Å; P31-W385 PolarHBondContact O-NE1 3.34Å; D33-W385 HydrophobicContact CB-CH2 4.36Å; D33-W385 HydrophobicContact CB-CZ2 3.91Å; N341-W385 PolarHBondContact N-O 3.35Å; N341-W385 VanDerWaalsContact N-O 3.07Å; N341-W385 PolarHBondContact OD1-N 3.41Å; N341-W385 PolarHBondContact OD1-O 3.25Å; S342-W385 WeakPolarHBondContact CB-O 3.43Å; S342-W385 PolarHBondContact N-O 2.86Å; S342-W385 PolarHBondContact OG-N 2.8Å; S342-W385 VanDerWaalsContact OG-N 3.14Å; R366-W385 VanDerWaalsContact NH1-CH2 3.28Å; W372-W385 HydrophobicContact CB-CE3 3.83Å; W372-W385 HydrophobicContact CB-CZ3 3.97Å; W372-W385 HydrophobicContact CD2-CE3 4.24Å; W372-W385 HydrophobicContact CE3-CB 3.81Å; W372-W385 HydrophobicContact CE3-CD2 4.5Å; W372-W385 HydrophobicContact CE3-CE3 4.03Å; W372-W385 HydrophobicContact CE3-CG 4.45Å; W372-W385 HydrophobicContact CG-CE3 4.18Å; W372-W385 HydrophobicContact CG-CZ3 4.45Å; W372-W385 HydrophobicContact CZ3-CB 3.93Å; C373-W385 WeakPolarHBondContact O-CA 3.37Å; C373-W385 WeakPolarHBondContact O-CB 3.35Å; Y379-W385 HydrophobicContact CD2-CB 3.95Å; Y379-W385 HydrophobicContact CE2-CB 3.74Å; Y379-W385 AromaticContact CE2-CD1 3.85Å; Y379-W385 AromaticContact CE2-CG 3.85Å; Y379-W385 HydrophobicContact CE2-CG 3.85Å; W385-F387 HydrophobicContact CH2-CE1 4.15Å; W385-F387 AromaticContact CH2-CE2 3.93Å; W385-F387 HydrophobicContact CH2-CE2 3.93Å; W385-F387 AromaticContact CH2-CZ 3.68Å; W385-F387 HydrophobicContact CH2-CZ 3.68Å; W385-F387 HydrophobicContact CZ3-CD1 4.21Å; W385-F387 HydrophobicContact CZ3-CD2 4.46Å; W385-F387 AromaticContact CZ3-CE1 3.9Å; W385-F387 HydrophobicContact CZ3-CE1 3.9Å; W385-F387 HydrophobicContact CZ3-CE2 4.17Å; W385-F387 HydrophobicContact CZ3-CG 4.49Å; W385-F387 AromaticContact CZ3-CZ 3.88Å; W385-F387 HydrophobicContact CZ3-CZ 3.88Å
386	G	91.3	Very high	93.2	Very high	0 Å²	0	47.3 Å²	47.3	0%	0	24%	0.237	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-163.8	179.9	162.9	0	0	0	0	0	112	W372 C373	W372-G386 WeakPolarHBondContact CA-O 3.41Å; W372-G386 WeakPolarHBondContact CB-O 3.18Å; C373-G386 PolarHBondContact N-O 3.29Å; C373-G386 VanDerWaalsContact N-O 3.15Å; C373-G386 PolarHBondContact O-N 3.25Å
387	F	91.2	Very high	93.4	Very high	10 Å²	10	46.3 Å²	46.3	4%	0.044	23%	0.23	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-78	134.7	178.6	-63.9	-74.4	0	0	0	110.9	K185 V337 T338 R366 K370 W385	K185-F387 HydrophobicContact CB-CD2 4.3Å; K185-F387 HydrophobicContact CB-CE2 4.35Å; K185-F387 HydrophobicContact CD-CB 3.69Å; K185-F387 HydrophobicContact CD-CD1 4.45Å; K185-F387 HydrophobicContact CD-CD2 3.39Å; K185-F387 HydrophobicContact CD-CE2 4.11Å; K185-F387 HydrophobicContact CD-CG 3.59Å; K185-F387 HydrophobicContact CG-CD2 4.44Å; V337-F387 CarbonylContact C-O 3.01Å; V337-F387 WeakPolarHBondContact CA-O 3.4Å; V337-F387 WeakPolarHBondContact CB-O 3.23Å; T338-F387 PolarHBondContact N-O 2.92Å; T338-F387 VanDerWaalsContact O-CB 3.29Å; T338-F387 WeakPolarHBondContact O-CB 3.47Å; T338-F387 VanDerWaalsContact O-CD2 3.3Å; T338-F387 WeakPolarHBondContact O-CD2 3.35Å; T338-F387 PolarHBondContact O-N 3.41Å; R366-F387 VanDerWaalsContact CZ-CE1 3.42Å; K370-F387 HydrophobicContact CB-CD1 3.88Å; K370-F387 HydrophobicContact CB-CE1 3.7Å; K370-F387 HydrophobicContact CD-CD1 4.11Å; K370-F387 HydrophobicContact CD-CE1 3.63Å; K370-F387 HydrophobicContact CD-CZ 4.09Å; K370-F387 HydrophobicContact CG-CE1 4.32Å; W385-F387 HydrophobicContact CH2-CE1 4.15Å; W385-F387 AromaticContact CH2-CE2 3.93Å; W385-F387 HydrophobicContact CH2-CE2 3.93Å; W385-F387 AromaticContact CH2-CZ 3.68Å; W385-F387 HydrophobicContact CH2-CZ 3.68Å; W385-F387 HydrophobicContact CZ3-CD1 4.21Å; W385-F387 HydrophobicContact CZ3-CD2 4.46Å; W385-F387 AromaticContact CZ3-CE1 3.9Å; W385-F387 HydrophobicContact CZ3-CE1 3.9Å; W385-F387 HydrophobicContact CZ3-CE2 4.17Å; W385-F387 HydrophobicContact CZ3-CG 4.49Å; W385-F387 AromaticContact CZ3-CZ 3.88Å; W385-F387 HydrophobicContact CZ3-CZ 3.88Å
388	C	90.7	Very high	93.5	Very high	9 Å²	9	42.1 Å²	42.1	6%	0.061	21%	0.208	C	C	.	.	P	Polyproline II helix	trans	-68.1	150.3	175.5	-67.8	0	0	0	0	111.1	C347 C361 L371 D390	C347-C388 VanDerWaalsContact SG-SG 3.63Å; C361-C388 HydrophobicContact CB-CB 3.8Å; C361-C388 WeakPolarHBondContact CB-SG 3.39Å; C361-C388 WeakPolarHBondContact SG-CB 3.26Å; C361-C388 CovalentContact SG-SG 2.01Å; C361-C388 PolarHBondContact SG-SG 3.31Å; L371-C388 HydrophobicContact CB-CB 4.45Å; L371-C388 PolarHBondContact O-N 2.99Å; C388-D390 PolarHBondContact O-N 3.3Å
389	P	85.8	Confident	93.7	Very high	49 Å²	49	40 Å²	40	32%	0.318	20%	0.196	S	C	.	.	P	Polyproline II helix	trans	-51.1	131.1	173.4	-27.3	33.7	0	0	0	112.1	D334 A336	D334-P389 WeakPolarHBondContact O-CG 3.36Å; A336-P389 WeakPolarHBondContact O-CG 3.38Å
390	D	87.7	Confident	93.8	Very high	63 Å²	63	39.5 Å²	39.5	34%	0.337	20%	0.195	S	C	.	.			trans	-116.6	-160.7	173.8	56	27.8	0	0	0	109.6	K185 H210 G216 C388 G392	K185-D390 VanDerWaalsContact CE-OD2 3.31Å; K185-D390 WeakPolarHBondContact CE-OD2 3.17Å; K185-D390 IonicContact NZ-OD1 3.29Å; K185-D390 IonicContact NZ-OD2 2.8Å; K185-D390 PolarHBondContact NZ-OD2 2.8Å; H210-D390 IonicContact CD2-OD1 2.99Å; G216-D390 WeakPolarHBondContact CA-O 3.49Å; C388-D390 PolarHBondContact O-N 3.3Å; D390-G392 PolarHBondContact O-N 3.3Å; D390-G392 VanDerWaalsContact OD1-CA 3.32Å; D390-G392 WeakPolarHBondContact OD1-CA 3.45Å; D390-G392 PolarHBondContact OD1-N 2.81Å
391	Q	89.4	Confident	94.1	Very high	139 Å²	139	36.7 Å²	36.7	65%	0.65	18%	0.179	S	C	*	.	S	Bend	trans	-68.9	-19.2	176.2	-70	-176.1	-25.2	0	0	112.8	T212 G216	T212-Q391 PolarHBondContact OG1-O 2.94Å; G216-Q391 WeakPolarHBondContact CA-O 3.33Å; G216-Q391 PolarHBondContact N-O 3.38Å
392	G	92.2	Very high	94.3	Very high	9 Å²	9	29.2 Å²	29.2	9%	0.093	15%	0.146	C	C	.	.			trans	58.4	-163.9	-174.4	0	0	0	0	0	113.8	H210 D390	H210-G392 CarbonylContact O-C 3.59Å; H210-G392 WeakPolarHBondContact O-CA 3.39Å; D390-G392 PolarHBondContact O-N 3.3Å; D390-G392 VanDerWaalsContact OD1-CA 3.32Å; D390-G392 WeakPolarHBondContact OD1-CA 3.45Å; D390-G392 PolarHBondContact OD1-N 2.81Å
393	Y	95.7	Very high	94.5	Very high	17 Å²	17	26.5 Å²	26.5	7%	0.067	13%	0.132	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-116	133.3	-177.8	-58.8	-76.8	0	0	0	110.3	P98 D186 L189 E209 H210 T212 L395 Y423	P98-Y393 HydrophobicContact CB-CE1 3.59Å; P98-Y393 WeakPolarHBondContact CB-OH 3.26Å; P98-Y393 HydrophobicContact CG-CE1 3.75Å; P98-Y393 WeakPolarHBondContact CG-OH 3.33Å; D186-Y393 PolarHBondContact OD1-OH 3Å; L189-Y393 HydrophobicContact CD1-CD1 3.49Å; L189-Y393 VanDerWaalsContact CD1-CD1 3.49Å; L189-Y393 HydrophobicContact CD1-CE1 3.92Å; L189-Y393 HydrophobicContact CD1-CG 3.95Å; L189-Y393 HydrophobicContact CD2-CD1 3.7Å; L189-Y393 HydrophobicContact CD2-CD2 3.66Å; L189-Y393 HydrophobicContact CD2-CE1 3.67Å; L189-Y393 HydrophobicContact CD2-CE2 3.63Å; L189-Y393 HydrophobicContact CD2-CG 3.7Å; L189-Y393 HydrophobicContact CG-CD1 4.26Å; L189-Y393 HydrophobicContact CG-CE1 4.44Å; L189-Y393 HydrophobicContact CG-CG 4.46Å; E209-Y393 HydrophobicContact CB-CD2 4.12Å; E209-Y393 HydrophobicContact CG-CD2 4.38Å; E209-Y393 HydrophobicContact CG-CE2 4.5Å; E209-Y393 WeakPolarHBondContact OE2-CE2 3.46Å; H210-Y393 PolarHBondContact O-N 2.9Å; T212-Y393 CarbonylContact C-O 3.45Å; T212-Y393 PolarHBondContact N-O 3.24Å; T212-Y393 VanDerWaalsContact O-O 3.08Å; Y393-L395 PolarHBondContact O-N 3.06Å; Y393-Y423 AromaticContact CD1-CD1 3.52Å; Y393-Y423 HydrophobicContact CD1-CD1 3.52Å; Y393-Y423 HydrophobicContact CD1-CD2 4.32Å; Y393-Y423 AromaticContact CD1-CE1 3.53Å; Y393-Y423 HydrophobicContact CD1-CE1 3.53Å; Y393-Y423 HydrophobicContact CD1-CE2 4.33Å; Y393-Y423 AromaticContact CD1-CG 3.93Å; Y393-Y423 HydrophobicContact CD1-CG 3.93Å; Y393-Y423 AromaticContact CD1-CZ 3.94Å; Y393-Y423 AromaticContact CE1-CD1 3.78Å; Y393-Y423 HydrophobicContact CE1-CD1 3.78Å; Y393-Y423 HydrophobicContact CE1-CE1 4.06Å; Y393-Y423 HydrophobicContact CE1-CG 4.37Å
394	S	97.3	Very high	94.6	Very high	4 Å²	4	21.6 Å²	21.6	3%	0.028	11%	0.109	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-67.5	107.3	176.4	-175.9	0	0	0	0	109.4	T212 L213 F396 L397 V398 Y423	T212-S394 WeakPolarHBondContact O-CA 3.49Å; L213-S394 PolarHBondContact O-OG 3.45Å; S394-F396 PolarHBondContact O-N 3.33Å; S394-L397 PolarHBondContact O-N 2.84Å; S394-V398 PolarHBondContact O-N 2.86Å; S394-Y423 PolarHBondContact N-OH 2.7Å
395	L	97.9	Very high	94.5	Very high	0 Å²	0	17.5 Å²	17.5	0%	0	9%	0.091	C	C	.	.	H	α-helix	trans	-56.4	-35.1	177.3	-177.6	62.7	0	0	0	111	M133 I138 A141 F142 F171 F205 W211 T212 Y393 A399	M133-L395 HydrophobicContact SD-CB 4.27Å; M133-L395 HydrophobicContact SD-CD2 4.32Å; I138-L395 HydrophobicContact CB-CD2 4.15Å; I138-L395 HydrophobicContact CG1-CD2 3.81Å; I138-L395 HydrophobicContact CG2-CD2 3.94Å; A141-L395 HydrophobicContact CB-CD2 4.24Å; A141-L395 HydrophobicContact CB-CG 4.34Å; F142-L395 HydrophobicContact CE1-CD1 3.74Å; F142-L395 HydrophobicContact CE1-CD2 4.16Å; F142-L395 HydrophobicContact CE1-CG 3.94Å; F142-L395 HydrophobicContact CZ-CD1 4.07Å; F142-L395 HydrophobicContact CZ-CD2 4.19Å; F142-L395 HydrophobicContact CZ-CG 4.39Å; F171-L395 HydrophobicContact CE1-CD1 4.06Å; F171-L395 HydrophobicContact CZ-CD1 3.93Å; F171-L395 HydrophobicContact CZ-CD2 4.11Å; F205-L395 HydrophobicContact CD1-CD1 3.75Å; F205-L395 HydrophobicContact CE1-CD1 3.9Å; F205-L395 HydrophobicContact CG-CD1 4.41Å; W211-L395 HydrophobicContact CD2-CD1 4.05Å; W211-L395 HydrophobicContact CE3-CB 3.99Å; W211-L395 HydrophobicContact CE3-CD1 3.72Å; W211-L395 HydrophobicContact CE3-CG 4.47Å; W211-L395 HydrophobicContact CZ3-CD1 4.05Å; T212-L395 PolarHBondContact O-N 3.34Å; Y393-L395 PolarHBondContact O-N 3.06Å; L395-A399 WeakPolarHBondContact O-CB 3.45Å; L395-A399 PolarHBondContact O-N 3.18Å
396	F	98	Very high	94.6	Very high	29 Å²	29	17.5 Å²	17.5	13%	0.127	9%	0.091	C	C	.	.	H	α-helix	trans	-59.6	-49.2	174.4	164.8	-105.6	0	0	0	112.7	A141 R144 A145 V148 S394 A400 F429	A141-F396 HydrophobicContact CB-CB 4.43Å; R144-F396 HydrophobicContact CB-CD2 3.77Å; R144-F396 HydrophobicContact CB-CE2 3.74Å; A145-F396 HydrophobicContact CB-CD2 4.26Å; V148-F396 HydrophobicContact CG2-CE2 3.83Å; V148-F396 HydrophobicContact CG2-CZ 3.76Å; S394-F396 PolarHBondContact O-N 3.33Å; F396-A400 VanDerWaalsContact O-CB 3.27Å; F396-A400 WeakPolarHBondContact O-CB 3.11Å; F396-A400 PolarHBondContact O-N 3.29Å; F396-F429 HydrophobicContact CE1-CB 4.17Å; F396-F429 AromaticContact CE1-CD1 3.8Å; F396-F429 HydrophobicContact CE1-CD1 3.8Å; F396-F429 HydrophobicContact CE1-CG 4.11Å; F396-F429 AromaticContact CZ-CD1 3.79Å; F396-F429 HydrophobicContact CZ-CD1 3.79Å; F396-F429 HydrophobicContact CZ-CE1 4.29Å
397	L	98.2	Very high	94.6	Very high	11 Å²	11	17.5 Å²	17.5	6%	0.058	9%	0.091	C	C	.	.	H	α-helix	trans	-70.5	-44.7	-177.4	-68.4	175.5	0	0	0	111.6	S394 A400 H401 Y423 Y425 F429	S394-L397 PolarHBondContact O-N 2.84Å; L397-A400 PolarHBondContact O-N 2.85Å; L397-H401 PolarHBondContact O-N 2.99Å; L397-H401 VanDerWaalsContact O-N 3.08Å; L397-Y423 HydrophobicContact CB-CE2 4.37Å; L397-Y423 HydrophobicContact CD1-CE2 4.46Å; L397-Y425 HydrophobicContact CD1-CD2 3.91Å; L397-Y425 HydrophobicContact CD1-CE2 4.46Å; L397-F429 HydrophobicContact CD2-CB 3.95Å; L397-F429 HydrophobicContact CD2-CD1 4.45Å; L397-F429 HydrophobicContact CD2-CD2 3.57Å; L397-F429 HydrophobicContact CD2-CE2 4.24Å; L397-F429 HydrophobicContact CD2-CG 3.71Å
398	V	98.6	Very high	94.2	Very high	7 Å²	7	17.5 Å²	17.5	4%	0.042	10%	0.095	C	C	.	.	H	α-helix	trans	-63.7	-45.6	178.2	-179.2	0	0	0	0	109.7	L189 A190 F205 W211 S394 A400 H401 E402 Y423	L189-V398 HydrophobicContact CB-CG1 4.16Å; L189-V398 HydrophobicContact CB-CG2 4.44Å; L189-V398 HydrophobicContact CD1-CG2 3.87Å; A190-V398 HydrophobicContact CB-CG1 3.6Å; F205-V398 HydrophobicContact CD1-CG1 4.19Å; F205-V398 HydrophobicContact CE1-CB 4.49Å; F205-V398 HydrophobicContact CE1-CG1 4.03Å; W211-V398 HydrophobicContact CH2-CB 4.2Å; W211-V398 HydrophobicContact CH2-CG1 3.91Å; W211-V398 HydrophobicContact CH2-CG2 4.31Å; W211-V398 HydrophobicContact CZ3-CB 3.88Å; W211-V398 HydrophobicContact CZ3-CG1 4.13Å; W211-V398 HydrophobicContact CZ3-CG2 3.86Å; S394-V398 PolarHBondContact O-N 2.86Å; V398-A400 PolarHBondContact O-N 2.59Å; V398-H401 WeakPolarHBondContact O-CB 3.19Å; V398-H401 PolarHBondContact O-N 2.71Å; V398-E402 HydrophobicContact CG1-CG 4.25Å; V398-E402 WeakPolarHBondContact O-CG 3.3Å; V398-E402 PolarHBondContact O-N 3.37Å; V398-Y423 HydrophobicContact CG2-CD2 3.88Å; V398-Y423 HydrophobicContact CG2-CE2 3.99Å
399	A	98.7	Very high	93.8	Very high	0 Å²	0	17.8 Å²	17.8	0%	0	10%	0.095	C	C	.	.	H	α-helix	trans	-63.8	-39	177.1	0	0	0	0	0	113.1	F142 A145 F205 L395 H401 E402 F403	F142-A399 HydrophobicContact CD1-CB 3.53Å; F142-A399 HydrophobicContact CE1-CB 3.71Å; A145-A399 HydrophobicContact CB-CB 3.8Å; F205-A399 HydrophobicContact CE1-CB 3.81Å; F205-A399 HydrophobicContact CZ-CB 3.67Å; L395-A399 WeakPolarHBondContact O-CB 3.45Å; L395-A399 PolarHBondContact O-N 3.18Å; A399-H401 VanDerWaalsContact C-N 3.26Å; A399-H401 PolarHBondContact O-N 2.85Å; A399-E402 PolarHBondContact O-N 3.05Å; A399-F403 HydrophobicContact CB-CD2 4.49Å; A399-F403 HydrophobicContact CB-CE1 4.5Å; A399-F403 HydrophobicContact CB-CE2 3.99Å; A399-F403 HydrophobicContact CB-CZ 3.97Å; A399-F403 VanDerWaalsContact O-CB 3.3Å; A399-F403 WeakPolarHBondContact O-CB 3.45Å; A399-F403 WeakPolarHBondContact O-CD1 3.42Å; A399-F403 VanDerWaalsContact O-CD2 3.29Å; A399-F403 WeakPolarHBondContact O-CD2 3.34Å; A399-F403 WeakPolarHBondContact O-CG 3.41Å; A399-F403 PolarHBondContact O-N 2.82Å
400	A	98.6	Very high	93.6	Very high	0 Å²	0	20.5 Å²	20.5	0%	0	11%	0.107	C	C	.	.	H	α-helix	trans	-60	-41.3	176.3	0	0	0	0	0	110.9	A145 V148 W149 F396 L397 V398 G404 L418	A145-A400 HydrophobicContact CB-CB 3.98Å; V148-A400 HydrophobicContact CG2-CB 4.36Å; W149-A400 WeakPolarHBondContact CZ2-O 3.26Å; W149-A400 PolarHBondContact NE1-O 2.72Å; F396-A400 VanDerWaalsContact O-CB 3.27Å; F396-A400 WeakPolarHBondContact O-CB 3.11Å; F396-A400 PolarHBondContact O-N 3.29Å; L397-A400 PolarHBondContact O-N 2.85Å; V398-A400 PolarHBondContact O-N 2.59Å; A400-G404 PolarHBondContact O-N 3.36Å; A400-L418 HydrophobicContact CB-CD1 4.25Å; A400-L418 HydrophobicContact CB-CD2 3.7Å
401	H	98.3	Very high	93.4	Very high	12 Å²	12	18.5 Å²	18.5	6%	0.056	10%	0.096	C	C	.	.	H	α-helix	trans	-62.8	-53.7	174.6	-177.8	105.2	0	0	0	112	C100 L397 V398 A399 F403 G404 H405 H411 L418 F420	C100-H401 WeakPolarHBondContact CB-NE2 3.28Å; L397-H401 PolarHBondContact O-N 2.99Å; L397-H401 VanDerWaalsContact O-N 3.08Å; V398-H401 WeakPolarHBondContact O-CB 3.19Å; V398-H401 PolarHBondContact O-N 2.71Å; A399-H401 VanDerWaalsContact C-N 3.26Å; A399-H401 PolarHBondContact O-N 2.85Å; H401-F403 VanDerWaalsContact C-N 3.28Å; H401-F403 PolarHBondContact O-N 2.77Å; H401-G404 WeakPolarHBondContact O-CA 3.05Å; H401-G404 PolarHBondContact O-N 3.45Å; H401-H405 AromaticContact CD2-CD2 3.78Å; H401-H405 AromaticContact CD2-NE2 3.75Å; H401-H405 AromaticContact NE2-CD2 3.79Å; H401-H405 AromaticContact NE2-NE2 3.25Å; H401-H405 PolarHBondContact NE2-NE2 3.23Å; H401-H405 PolarHBondContact O-N 3.38Å; H401-H411 AromaticContact CE1-CD2 3.61Å; H401-H411 AromaticContact CE1-NE2 3.68Å; H401-H411 AromaticContact NE2-CD2 3.47Å; H401-H411 PolarHBondContact NE2-CD2 3.34Å; H401-H411 AromaticContact NE2-NE2 3.18Å; H401-H411 PolarHBondContact NE2-NE2 2.9Å; H401-H411 VanDerWaalsContact NE2-NE2 3.18Å; H401-L418 HydrophobicContact CB-CD1 4.13Å; H401-L418 HydrophobicContact CB-CG 4.33Å; H401-L418 PolarHBondContact ND1-O 3.48Å; H401-F420 PolarHBondContact CE1-O 2.99Å; H401-F420 VanDerWaalsContact CE1-O 3.31Å
402	E	98.2	Very high	92.9	Very high	2 Å²	2	12.4 Å²	12.4	1%	0.009	7%	0.068	C	C	.	.	H	α-helix	trans	-62.2	-35.1	-179.5	-62.3	-44.7	141.8	0	0	112.4	C100 A190 H191 A192 A203 F205 V398 A399 G404 H405 A406	C100-E402 PolarHBondContact SG-OE1 3.48Å; A190-E402 HydrophobicContact CB-CG 3.53Å; H191-E402 WeakPolarHBondContact CA-OE2 3.15Å; A192-E402 HydrophobicContact CB-CB 3.97Å; A192-E402 VanDerWaalsContact CB-O 3.25Å; A192-E402 WeakPolarHBondContact CB-O 3.46Å; A192-E402 PolarHBondContact N-OE2 3.3Å; A203-E402 HydrophobicContact CB-CB 4.39Å; F205-E402 HydrophobicContact CE1-CG 4.37Å; F205-E402 HydrophobicContact CZ-CB 4.41Å; F205-E402 HydrophobicContact CZ-CG 4.41Å; V398-E402 HydrophobicContact CG1-CG 4.25Å; V398-E402 WeakPolarHBondContact O-CG 3.3Å; V398-E402 PolarHBondContact O-N 3.37Å; A399-E402 PolarHBondContact O-N 3.05Å; E402-G404 VanDerWaalsContact C-N 3.26Å; E402-G404 PolarHBondContact O-N 3.34Å; E402-H405 WeakPolarHBondContact O-CB 3.14Å; E402-H405 PolarHBondContact O-N 2.87Å; E402-H405 VanDerWaalsContact O-N 3.13Å; E402-H405 IonicContact OE2-CD2 2.85Å; E402-A406 PolarHBondContact O-N 3.11Å
403	F	98.5	Very high	92.2	Very high	0 Å²	0	16.3 Å²	16.3	0%	0	9%	0.087	C	C	.	.	H	α-helix	trans	-68.4	-27	173.9	-61.7	-16	0	0	0	112.2	F142 A145 F146 I169 A203 F205 A399 H401 H405 A406 L407	F142-F403 HydrophobicContact CB-CE2 4.21Å; F142-F403 HydrophobicContact CB-CZ 4.16Å; F142-F403 HydrophobicContact CD1-CE2 4.19Å; F142-F403 AromaticContact CD1-CZ 3.69Å; F142-F403 HydrophobicContact CD1-CZ 3.69Å; F142-F403 HydrophobicContact CE1-CZ 4.35Å; F142-F403 HydrophobicContact CG-CZ 4.11Å; A145-F403 HydrophobicContact CB-CD2 3.68Å; A145-F403 HydrophobicContact CB-CE2 3.62Å; F146-F403 HydrophobicContact CD1-CB 4.32Å; F146-F403 AromaticContact CD1-CD2 3.6Å; F146-F403 HydrophobicContact CD1-CD2 3.6Å; F146-F403 HydrophobicContact CD1-CE2 4.11Å; F146-F403 HydrophobicContact CD1-CG 4.03Å; F146-F403 AromaticContact CD2-CD2 3.96Å; F146-F403 HydrophobicContact CD2-CD2 3.96Å; F146-F403 AromaticContact CD2-CE2 3.59Å; F146-F403 HydrophobicContact CD2-CE2 3.59Å; F146-F403 HydrophobicContact CD2-CZ 4.27Å; F146-F403 HydrophobicContact CE1-CB 4.06Å; F146-F403 HydrophobicContact CE1-CD1 4.04Å; F146-F403 AromaticContact CE1-CD2 3.55Å; F146-F403 HydrophobicContact CE1-CD2 3.55Å; F146-F403 HydrophobicContact CE1-CE1 4.41Å; F146-F403 AromaticContact CE1-CE2 3.95Å; F146-F403 HydrophobicContact CE1-CE2 3.95Å; F146-F403 AromaticContact CE1-CG 3.61Å; F146-F403 HydrophobicContact CE1-CG 3.61Å; F146-F403 HydrophobicContact CE1-CZ 4.38Å; F146-F403 AromaticContact CE2-CD2 3.91Å; F146-F403 HydrophobicContact CE2-CD2 3.91Å; F146-F403 HydrophobicContact CE2-CE1 4.26Å; F146-F403 AromaticContact CE2-CE2 3.41Å; F146-F403 HydrophobicContact CE2-CE2 3.41Å; F146-F403 VanDerWaalsContact CE2-CE2 3.41Å; F146-F403 AromaticContact CE2-CZ 3.63Å; F146-F403 HydrophobicContact CE2-CZ 3.63Å; F146-F403 AromaticContact CG-CD2 3.8Å; F146-F403 HydrophobicContact CG-CD2 3.8Å; F146-F403 AromaticContact CG-CE2 3.94Å; F146-F403 HydrophobicContact CG-CE2 3.94Å; F146-F403 AromaticContact CZ-CD1 3.93Å; F146-F403 HydrophobicContact CZ-CD1 3.93Å; F146-F403 AromaticContact CZ-CD2 3.71Å; F146-F403 HydrophobicContact CZ-CD2 3.71Å; F146-F403 AromaticContact CZ-CE1 3.85Å; F146-F403 HydrophobicContact CZ-CE1 3.85Å; F146-F403 AromaticContact CZ-CE2 3.6Å; F146-F403 HydrophobicContact CZ-CE2 3.6Å; F146-F403 AromaticContact CZ-CG 3.89Å; F146-F403 HydrophobicContact CZ-CG 3.89Å; F146-F403 AromaticContact CZ-CZ 3.69Å; F146-F403 HydrophobicContact CZ-CZ 3.69Å; I169-F403 HydrophobicContact CD1-CE1 3.75Å; I169-F403 HydrophobicContact CD1-CZ 3.57Å; I169-F403 HydrophobicContact CG1-CE1 4.01Å; I169-F403 HydrophobicContact CG1-CZ 4.31Å; A203-F403 HydrophobicContact CB-CD1 4.32Å; A203-F403 HydrophobicContact CB-CE1 4.12Å; F205-F403 HydrophobicContact CZ-CE1 4.44Å; A399-F403 HydrophobicContact CB-CD2 4.49Å; A399-F403 HydrophobicContact CB-CE1 4.5Å; A399-F403 HydrophobicContact CB-CE2 3.99Å; A399-F403 HydrophobicContact CB-CZ 3.97Å; A399-F403 VanDerWaalsContact O-CB 3.3Å; A399-F403 WeakPolarHBondContact O-CB 3.45Å; A399-F403 WeakPolarHBondContact O-CD1 3.42Å; A399-F403 VanDerWaalsContact O-CD2 3.29Å; A399-F403 WeakPolarHBondContact O-CD2 3.34Å; A399-F403 WeakPolarHBondContact O-CG 3.41Å; A399-F403 PolarHBondContact O-N 2.82Å; H401-F403 VanDerWaalsContact C-N 3.28Å; H401-F403 PolarHBondContact O-N 2.77Å; F403-H405 VanDerWaalsContact C-N 3.33Å; F403-A406 PolarHBondContact O-N 3.33Å; F403-L407 WeakPolarHBondContact O-CB 3.39Å; F403-L407 WeakPolarHBondContact O-CD1 3.48Å; F403-L407 WeakPolarHBondContact O-CG 3.5Å; F403-L407 PolarHBondContact O-N 2.92Å
404	G	94.7	Very high	91.4	Very high	0 Å²	0	17.8 Å²	17.8	0%	0	10%	0.096	C	C	.	.	H	α-helix	trans	-60.2	-44.1	168.4	0	0	0	0	0	111.6	W149 A400 H401 E402 L407 G408 L409	W149-G404 VanDerWaalsContact CZ2-CA 3.46Å; A400-G404 PolarHBondContact O-N 3.36Å; H401-G404 WeakPolarHBondContact O-CA 3.05Å; H401-G404 PolarHBondContact O-N 3.45Å; E402-G404 VanDerWaalsContact C-N 3.26Å; E402-G404 PolarHBondContact O-N 3.34Å; G404-L407 CarbonylContact O-C 3.55Å; G404-L407 PolarHBondContact O-N 2.66Å; G404-G408 PolarHBondContact O-N 3.39Å; G404-G408 VanDerWaalsContact O-N 3.12Å; G404-L409 WeakPolarHBondContact O-CB 3.3Å; G404-L409 PolarHBondContact O-N 3.47Å
405	H	90	Very high	90.8	Very high	6 Å²	6	24.2 Å²	24.2	3%	0.028	12%	0.119	C	C	.	.	H	α-helix	trans	-63.6	-45.9	172.9	-72.2	-48.2	0	0	0	112.5	A192 H401 E402 F403 L407 G408 L409 H411 M419	A192-H405 HydrophobicContact CB-CB 3.98Å; H401-H405 AromaticContact CD2-CD2 3.78Å; H401-H405 AromaticContact CD2-NE2 3.75Å; H401-H405 AromaticContact NE2-CD2 3.79Å; H401-H405 AromaticContact NE2-NE2 3.25Å; H401-H405 PolarHBondContact NE2-NE2 3.23Å; H401-H405 PolarHBondContact O-N 3.38Å; E402-H405 WeakPolarHBondContact O-CB 3.14Å; E402-H405 PolarHBondContact O-N 2.87Å; E402-H405 VanDerWaalsContact O-N 3.13Å; E402-H405 IonicContact OE2-CD2 2.85Å; F403-H405 VanDerWaalsContact C-N 3.33Å; H405-L407 PolarHBondContact O-N 2.84Å; H405-L407 VanDerWaalsContact O-N 3.1Å; H405-G408 WeakPolarHBondContact O-CA 3.18Å; H405-G408 PolarHBondContact O-N 2.76Å; H405-L409 PolarHBondContact ND1-O 3.24Å; H405-H411 AromaticContact CE1-CD2 3.51Å; H405-H411 AromaticContact CE1-NE2 3.8Å; H405-H411 AromaticContact NE2-CD2 3.35Å; H405-H411 PolarHBondContact NE2-CD2 2.91Å; H405-H411 VanDerWaalsContact NE2-CD2 3.35Å; H405-H411 AromaticContact NE2-NE2 3.23Å; H405-H411 PolarHBondContact NE2-NE2 3.1Å; H405-M419 VanDerWaalsContact CE1-CE 3.42Å; H405-M419 WeakPolarHBondContact CE1-CE 3.38Å
406	A	94.8	Very high	90.2	Very high	0 Å²	0	30.8 Å²	30.8	0%	0	15%	0.15	C	C	.	.	H	α-helix	trans	-62.3	-16.8	175.5	0	0	0	0	0	113.6	W117 I167 A192 Y193 P195 G201 E402 F403	W117-A406 PolarHBondContact NE1-O 3.02Å; I167-A406 HydrophobicContact CD1-CB 3.82Å; I167-A406 HydrophobicContact CG1-CB 4.19Å; I167-A406 HydrophobicContact CG2-CB 4.48Å; A192-A406 HydrophobicContact CB-CB 4.46Å; Y193-A406 WeakPolarHBondContact O-CA 3.01Å; P195-A406 WeakPolarHBondContact CG-O 3.3Å; G201-A406 VanDerWaalsContact O-CB 3.26Å; G201-A406 WeakPolarHBondContact O-CB 3.34Å; E402-A406 PolarHBondContact O-N 3.11Å; F403-A406 PolarHBondContact O-N 3.33Å
407	L	92.8	Very high	89.7	Confident	0 Å²	0	29.8 Å²	29.8	0%	0	15%	0.147	C	C	.	.	T	Hydrogen-bonded Turn	trans	-97.2	-6.4	172.5	-68.4	171.1	0	0	0	113.1	W149 L155 F157 F403 G404 H405 I439 Y443	W149-L407 HydrophobicContact CB-CD1 3.64Å; W149-L407 HydrophobicContact CD2-CD1 4.16Å; W149-L407 HydrophobicContact CG-CD1 3.54Å; L155-L407 HydrophobicContact CD1-CD1 4.13Å; L155-L407 HydrophobicContact CD1-CD2 3.74Å; F157-L407 HydrophobicContact CE1-CD1 4.47Å; F157-L407 HydrophobicContact CE1-CD2 3.95Å; F157-L407 HydrophobicContact CZ-CD1 3.92Å; F157-L407 HydrophobicContact CZ-CD2 4.02Å; F403-L407 WeakPolarHBondContact O-CB 3.39Å; F403-L407 WeakPolarHBondContact O-CD1 3.48Å; F403-L407 WeakPolarHBondContact O-CG 3.5Å; F403-L407 PolarHBondContact O-N 2.92Å; G404-L407 CarbonylContact O-C 3.55Å; G404-L407 PolarHBondContact O-N 2.66Å; H405-L407 PolarHBondContact O-N 2.84Å; H405-L407 VanDerWaalsContact O-N 3.1Å; L407-I439 HydrophobicContact CB-CD1 3.77Å; L407-I439 HydrophobicContact CD1-CD1 4.01Å; L407-Y443 HydrophobicContact CB-CE2 4.14Å; L407-Y443 WeakPolarHBondContact O-CE2 2.95Å; L407-Y443 PolarHBondContact O-OH 3.21Å
408	G	81.4	Confident	89.5	Confident	11 Å²	11	30.2 Å²	30.2	11%	0.113	15%	0.149	C	C	.	.	T	Hydrogen-bonded Turn	trans	105	11	173.7	0	0	0	0	0	116	L115 G404 H405	L115-G408 VanDerWaalsContact O-CA 3.23Å; L115-G408 WeakPolarHBondContact O-CA 3.31Å; G404-G408 PolarHBondContact O-N 3.39Å; G404-G408 VanDerWaalsContact O-N 3.12Å; H405-G408 WeakPolarHBondContact O-CA 3.18Å; H405-G408 PolarHBondContact O-N 2.76Å
409	L	82	Confident	89.1	Confident	15 Å²	15	30 Å²	30	8%	0.079	15%	0.148	C	C	.	.	P	Polyproline II helix	trans	-78.8	147.5	171.9	-59.1	179.8	0	0	0	111.1	W149 G404 H405 M419 G438 I439 L442	W149-L409 HydrophobicContact CE3-CD1 4.34Å; W149-L409 HydrophobicContact CH2-CD1 3.35Å; W149-L409 HydrophobicContact CZ2-CD1 4.12Å; W149-L409 HydrophobicContact CZ3-CD1 3.49Å; W149-L409 VanDerWaalsContact CZ3-CD1 3.49Å; G404-L409 WeakPolarHBondContact O-CB 3.3Å; G404-L409 PolarHBondContact O-N 3.47Å; H405-L409 PolarHBondContact ND1-O 3.24Å; L409-M419 HydrophobicContact CB-CE 4Å; L409-M419 HydrophobicContact CB-CG 4.23Å; L409-M419 HydrophobicContact CB-SD 4.33Å; L409-M419 HydrophobicContact CD1-CG 3.9Å; L409-M419 HydrophobicContact CD1-SD 4.18Å; L409-G438 VanDerWaalsContact CD2-C 3.45Å; L409-I439 HydrophobicContact CD1-CB 4.17Å; L409-I439 HydrophobicContact CD1-CD1 4.02Å; L409-I439 HydrophobicContact CD2-CB 4.34Å; L409-I439 HydrophobicContact CD2-CD1 4.21Å; L409-I439 HydrophobicContact CG-CD1 3.98Å; L409-L442 HydrophobicContact CD2-CD1 3.93Å
410	D	82.2	Confident	88.7	Confident	106 Å²	106	30.6 Å²	30.6	57%	0.567	15%	0.15	S	C	*	.	P	Polyproline II helix	trans	-100.6	171.3	170	-77.5	-41.1	0	0	0	110.6	S412	D410-S412 PolarHBondContact O-N 3Å
411	H	83.1	Confident	88.2	Confident	21 Å²	21	30.7 Å²	30.7	10%	0.097	15%	0.151	C	C	.	.	P	Polyproline II helix	trans	-60.6	130	174.2	-77.8	153.9	0	0	0	113.1	R99 C100 V102 D104 H401 H405 M419	R99-H411 PolarHBondContact NH2-CE1 3.44Å; C100-H411 WeakPolarHBondContact CB-NE2 3.05Å; V102-H411 PolarHBondContact O-CE1 2.99Å; V102-H411 PolarHBondContact O-ND1 2.9Å; D104-H411 IonicContact OD1-CE1 3.52Å; D104-H411 IonicContact OD1-CG 2.9Å; D104-H411 IonicContact OD1-ND1 3.18Å; D104-H411 PolarHBondContact OD1-ND1 3.42Å; H401-H411 AromaticContact CE1-CD2 3.61Å; H401-H411 AromaticContact CE1-NE2 3.68Å; H401-H411 AromaticContact NE2-CD2 3.47Å; H401-H411 PolarHBondContact NE2-CD2 3.34Å; H401-H411 AromaticContact NE2-NE2 3.18Å; H401-H411 PolarHBondContact NE2-NE2 2.9Å; H401-H411 VanDerWaalsContact NE2-NE2 3.18Å; H405-H411 AromaticContact CE1-CD2 3.51Å; H405-H411 AromaticContact CE1-NE2 3.8Å; H405-H411 AromaticContact NE2-CD2 3.35Å; H405-H411 PolarHBondContact NE2-CD2 2.91Å; H405-H411 VanDerWaalsContact NE2-CD2 3.35Å; H405-H411 AromaticContact NE2-NE2 3.23Å; H405-H411 PolarHBondContact NE2-NE2 3.1Å; H411-M419 CarbonylContact C-O 3.56Å; H411-M419 VanDerWaalsContact CA-O 3.26Å; H411-M419 WeakPolarHBondContact CA-O 3.37Å; H411-M419 PolarHBondContact CD2-O 3.47Å
412	S	79.8	Confident	87.9	Confident	10 Å²	10	30.6 Å²	30.6	7%	0.07	15%	0.151	C	C	.	.	P	Polyproline II helix	trans	-77.5	156.1	169	-175.2	0	0	0	0	111.3	Q78 D410 I414 M419 P421 D434	Q78-S412 PolarHBondContact NE2-O 3.5Å; Q78-S412 VanDerWaalsContact NE2-O 3.07Å; D410-S412 PolarHBondContact O-N 3Å; S412-I414 PolarHBondContact OG-N 3.46Å; S412-M419 PolarHBondContact N-O 2.86Å; S412-P421 WeakPolarHBondContact O-CD 2.87Å; S412-D434 WeakPolarHBondContact CB-OD2 3.19Å; S412-D434 PolarHBondContact OG-OD2 3.1Å
413	N	76.9	Confident	87.7	Confident	91 Å²	91	32.4 Å²	32.4	49%	0.487	16%	0.158	S	C	.	.	S	Bend	trans	-100.8	3	168.7	67.3	-5.1	0	0	0	112.7
414	I	79.4	Confident	87.3	Confident	49 Å²	49	35.9 Å²	35.9	25%	0.251	18%	0.182	S	C	.	.			trans	-89.2	121.5	175.3	-66.8	168.7	0	0	0	108.3	S412 E416 A417 F420 D434	S412-I414 PolarHBondContact OG-N 3.46Å; I414-E416 HydrophobicContact CG2-CB 4.38Å; I414-E416 PolarHBondContact O-N 3.15Å; I414-A417 HydrophobicContact CB-CB 4.05Å; I414-A417 HydrophobicContact CG2-CB 4.21Å; I414-A417 WeakPolarHBondContact O-CB 3.33Å; I414-A417 PolarHBondContact O-N 3.48Å; I414-A417 VanDerWaalsContact O-N 3.11Å; I414-F420 WeakPolarHBondContact O-CB 3.31Å; I414-F420 WeakPolarHBondContact O-CD2 3.2Å; I414-D434 HydrophobicContact CD1-CB 3.69Å
415	R	83.9	Confident	87.2	Confident	139 Å²	139	39.4 Å²	39.4	53%	0.525	20%	0.196	S	C	.	.	T	Hydrogen-bonded Turn	trans	-66.4	-24.7	-170.7	-69.1	-180	58.7	-176.9	-6.7	113.9	F420	R415-F420 HydrophobicContact CB-CE1 4.45Å; R415-F420 HydrophobicContact CB-CZ 4.46Å; R415-F420 HydrophobicContact CG-CD2 4.47Å; R415-F420 HydrophobicContact CG-CE1 4.13Å; R415-F420 HydrophobicContact CG-CE2 3.91Å; R415-F420 HydrophobicContact CG-CZ 3.73Å
416	E	85.4	Confident	87.1	Confident	138 Å²	138	42.4 Å²	42.4	65%	0.645	21%	0.214	S	C	*	.	T	Hydrogen-bonded Turn	trans	-90.3	-10.9	-179.1	-60.2	74.1	-162.9	0	0	112.5	I414	I414-E416 HydrophobicContact CG2-CB 4.38Å; I414-E416 PolarHBondContact O-N 3.15Å
417	A	87.1	Confident	86.6	Confident	7 Å²	7	48.3 Å²	48.3	6%	0.058	24%	0.242	C	C	.	.	S	Bend	trans	-72.6	143.9	176.5	0	0	0	0	0	110.7	I414 M419 F420 H432 D434	I414-A417 HydrophobicContact CB-CB 4.05Å; I414-A417 HydrophobicContact CG2-CB 4.21Å; I414-A417 WeakPolarHBondContact O-CB 3.33Å; I414-A417 PolarHBondContact O-N 3.48Å; I414-A417 VanDerWaalsContact O-N 3.11Å; A417-M419 PolarHBondContact O-N 3.22Å; A417-F420 VanDerWaalsContact O-CB 3.24Å; A417-F420 WeakPolarHBondContact O-CB 3.13Å; A417-F420 PolarHBondContact O-N 2.88Å; A417-F420 VanDerWaalsContact O-N 3.11Å; A417-H432 HydrophobicContact CB-CB 4.15Å; A417-D434 HydrophobicContact CB-CB 4.47Å
418	L	94.3	Very high	86.3	Confident	20 Å²	20	55.4 Å²	55.4	11%	0.105	28%	0.28	C	S	.	.	T	Hydrogen-bonded Turn	trans	-58.2	-42.6	173.8	174.7	63.3	0	0	0	109.7	V148 W149 A400 H401 F420 F429 L431 D435	V148-L418 HydrophobicContact CG1-CD2 4.35Å; W149-L418 HydrophobicContact CH2-CD2 4.06Å; W149-L418 HydrophobicContact CZ2-CD2 3.61Å; A400-L418 HydrophobicContact CB-CD1 4.25Å; A400-L418 HydrophobicContact CB-CD2 3.7Å; H401-L418 HydrophobicContact CB-CD1 4.13Å; H401-L418 HydrophobicContact CB-CG 4.33Å; H401-L418 PolarHBondContact ND1-O 3.48Å; L418-F420 PolarHBondContact O-N 3.16Å; L418-F420 VanDerWaalsContact O-N 3.1Å; L418-F429 HydrophobicContact CB-CE2 4.07Å; L418-F429 HydrophobicContact CB-CZ 4.13Å; L418-F429 HydrophobicContact CD1-CE2 3.89Å; L418-F429 HydrophobicContact CD1-CZ 4.1Å; L418-F429 HydrophobicContact CD2-CE2 4.42Å; L418-F429 HydrophobicContact CD2-CZ 3.83Å; L418-F429 HydrophobicContact CG-CE2 4.34Å; L418-F429 HydrophobicContact CG-CZ 4.24Å; L418-L431 HydrophobicContact CB-CD2 4.15Å; L418-L431 HydrophobicContact CD2-CD2 3.81Å; L418-D435 WeakPolarHBondContact CB-OD2 3.36Å; L418-D435 PolarHBondContact N-OD1 2.9Å; L418-D435 PolarHBondContact N-OD2 2.89Å
419	M	91.7	Very high	86.7	Confident	3 Å²	3	57.2 Å²	57.2	2%	0.015	29%	0.285	C	S	.	.	T	Hydrogen-bonded Turn	trans	-74.3	9.7	179.7	-60.7	-53.2	-57.3	0	0	114	W149 H405 L409 H411 S412 A417 D435	W149-M419 HydrophobicContact CH2-CG 4.17Å; W149-M419 HydrophobicContact CH2-SD 4.01Å; W149-M419 HydrophobicContact CZ2-SD 3.93Å; H405-M419 VanDerWaalsContact CE1-CE 3.42Å; H405-M419 WeakPolarHBondContact CE1-CE 3.38Å; L409-M419 HydrophobicContact CB-CE 4Å; L409-M419 HydrophobicContact CB-CG 4.23Å; L409-M419 HydrophobicContact CB-SD 4.33Å; L409-M419 HydrophobicContact CD1-CG 3.9Å; L409-M419 HydrophobicContact CD1-SD 4.18Å; H411-M419 CarbonylContact C-O 3.56Å; H411-M419 VanDerWaalsContact CA-O 3.26Å; H411-M419 WeakPolarHBondContact CA-O 3.37Å; H411-M419 PolarHBondContact CD2-O 3.47Å; S412-M419 PolarHBondContact N-O 2.86Å; A417-M419 PolarHBondContact O-N 3.22Å; M419-D435 WeakPolarHBondContact CB-OD1 3.43Å; M419-D435 WeakPolarHBondContact CG-OD1 3.48Å; M419-D435 PolarHBondContact N-OD1 2.84Å
420	F	90.2	Very high	87.1	Confident	12 Å²	12	61 Å²	61	5%	0.053	31%	0.313	C	S	.	.			trans	-68.5	132.9	169.1	-169.9	-113.2	0	0	0	110.3	Q78 M79 H401 I414 R415 A417 L418 M422	Q78-F420 WeakPolarHBondContact O-CE2 3.42Å; M79-F420 HydrophobicContact SD-CZ 4.47Å; H401-F420 PolarHBondContact CE1-O 2.99Å; H401-F420 VanDerWaalsContact CE1-O 3.31Å; I414-F420 WeakPolarHBondContact O-CB 3.31Å; I414-F420 WeakPolarHBondContact O-CD2 3.2Å; R415-F420 HydrophobicContact CB-CE1 4.45Å; R415-F420 HydrophobicContact CB-CZ 4.46Å; R415-F420 HydrophobicContact CG-CD2 4.47Å; R415-F420 HydrophobicContact CG-CE1 4.13Å; R415-F420 HydrophobicContact CG-CE2 3.91Å; R415-F420 HydrophobicContact CG-CZ 3.73Å; A417-F420 VanDerWaalsContact O-CB 3.24Å; A417-F420 WeakPolarHBondContact O-CB 3.13Å; A417-F420 PolarHBondContact O-N 2.88Å; A417-F420 VanDerWaalsContact O-N 3.11Å; L418-F420 PolarHBondContact O-N 3.16Å; L418-F420 VanDerWaalsContact O-N 3.1Å; F420-M422 VanDerWaalsContact C-N 3.27Å; F420-M422 HydrophobicContact CD1-CB 3.88Å; F420-M422 HydrophobicContact CD1-CG 4.47Å; F420-M422 HydrophobicContact CE1-CB 3.61Å; F420-M422 HydrophobicContact CE1-CG 3.83Å; F420-M422 HydrophobicContact CZ-CG 4.43Å; F420-M422 PolarHBondContact O-N 2.97Å; F420-M422 VanDerWaalsContact O-N 3.15Å
421	P	88.2	Confident	87.6	Confident	3 Å²	3	57.3 Å²	57.3	2%	0.019	29%	0.293	C	S	.	.	S	Bend	trans	-62.5	-29.4	-170	18.7	-32.3	0	0	0	114.8	M79 R99 C100 S412	M79-P421 HydrophobicContact CE-CG 3.98Å; M79-P421 HydrophobicContact SD-CG 4.13Å; R99-P421 CarbonylContact C-O 3.56Å; R99-P421 WeakPolarHBondContact CA-O 3Å; R99-P421 WeakPolarHBondContact CB-O 3.17Å; R99-P421 VanDerWaalsContact NH2-CB 3.32Å; C100-P421 PolarHBondContact N-O 3.44Å; S412-P421 WeakPolarHBondContact O-CD 2.87Å
422	M	90.6	Very high	88	Confident	10 Å²	10	59.2 Å²	59.2	5%	0.049	30%	0.302	C	S	.	.	B	Isolated β-bridge	trans	-87.3	131.9	-174.2	-64.3	-78.4	169.5	0	0	111.3	Y47 M79 A94 R97 R99 F420 S424	Y47-M422 WeakPolarHBondContact OH-CE 3.38Å; M79-M422 HydrophobicContact CE-CE 3.71Å; M79-M422 HydrophobicContact CG-CE 4.5Å; M79-M422 HydrophobicContact SD-CE 3.38Å; M79-M422 WeakPolarHBondContact SD-CE 3.3Å; M79-M422 HydrophobicContact SD-CG 3.86Å; M79-M422 HydrophobicContact SD-SD 4.49Å; A94-M422 WeakPolarHBondContact O-CE 3.46Å; R97-M422 HydrophobicContact CB-SD 3.6Å; R99-M422 HydrophobicContact CB-CE 4.47Å; R99-M422 HydrophobicContact CB-SD 3.89Å; F420-M422 VanDerWaalsContact C-N 3.27Å; F420-M422 HydrophobicContact CD1-CB 3.88Å; F420-M422 HydrophobicContact CD1-CG 4.47Å; F420-M422 HydrophobicContact CE1-CB 3.61Å; F420-M422 HydrophobicContact CE1-CG 3.83Å; F420-M422 HydrophobicContact CZ-CG 4.43Å; F420-M422 PolarHBondContact O-N 2.97Å; F420-M422 VanDerWaalsContact O-N 3.15Å; M422-S424 PolarHBondContact O-N 2.74Å
423	Y	94.6	Very high	88.3	Confident	39 Å²	39	65.2 Å²	65.2	15%	0.153	33%	0.329	C	S	.	.			trans	-64.6	137.9	175.7	178.3	-99.4	0	0	0	111.6	R97 P98 L189 Y393 S394 L397 V398	R97-Y423 PolarHBondContact NH2-O 2.85Å; P98-Y423 PolarHBondContact O-N 2.96Å; L189-Y423 HydrophobicContact CD1-CD1 4.5Å; L189-Y423 HydrophobicContact CD1-CD2 3.91Å; L189-Y423 HydrophobicContact CD1-CG 3.73Å; Y393-Y423 AromaticContact CD1-CD1 3.52Å; Y393-Y423 HydrophobicContact CD1-CD1 3.52Å; Y393-Y423 HydrophobicContact CD1-CD2 4.32Å; Y393-Y423 AromaticContact CD1-CE1 3.53Å; Y393-Y423 HydrophobicContact CD1-CE1 3.53Å; Y393-Y423 HydrophobicContact CD1-CE2 4.33Å; Y393-Y423 AromaticContact CD1-CG 3.93Å; Y393-Y423 HydrophobicContact CD1-CG 3.93Å; Y393-Y423 AromaticContact CD1-CZ 3.94Å; Y393-Y423 AromaticContact CE1-CD1 3.78Å; Y393-Y423 HydrophobicContact CE1-CD1 3.78Å; Y393-Y423 HydrophobicContact CE1-CE1 4.06Å; Y393-Y423 HydrophobicContact CE1-CG 4.37Å; S394-Y423 PolarHBondContact N-OH 2.7Å; L397-Y423 HydrophobicContact CB-CE2 4.37Å; L397-Y423 HydrophobicContact CD1-CE2 4.46Å; V398-Y423 HydrophobicContact CG2-CD2 3.88Å; V398-Y423 HydrophobicContact CG2-CE2 3.99Å
424	S	90.1	Very high	88.6	Confident	73 Å²	73	63.6 Å²	63.6	51%	0.51	32%	0.32	S	S	.	.			trans	-147	125.1	169	-172.4	0	0	0	0	108.4	M422	M422-S424 PolarHBondContact O-N 2.74Å
425	Y	92.3	Very high	88.9	Confident	74 Å²	74	61.4 Å²	61.4	29%	0.29	31%	0.309	S	S	.	.			trans	-70.3	134.3	174.3	178.8	-111	0	0	0	110.7	L213 K215 L397 E427	L213-Y425 WeakPolarHBondContact O-CE2 3.19Å; K215-Y425 HydrophobicContact CD-CE1 4.46Å; K215-Y425 WeakPolarHBondContact CE-OH 3.49Å; K215-Y425 HydrophobicContact CG-CE1 3.89Å; K215-Y425 WeakPolarHBondContact CG-OH 3.43Å; L397-Y425 HydrophobicContact CD1-CD2 3.91Å; L397-Y425 HydrophobicContact CD1-CE2 4.46Å; Y425-E427 HydrophobicContact CE1-CB 4.16Å
426	V	88.7	Confident	89	Confident	69 Å²	69	57 Å²	57	42%	0.418	30%	0.295	S	S	.	.			trans	-133.3	125	173.6	-176.6	0	0	0	0	107.6
427	E	83.3	Confident	88.7	Confident	124 Å²	124	55.6 Å²	55.6	58%	0.579	29%	0.288	S	S	*	.	S	Bend	trans	-74.3	-57.5	-178.2	177.2	164.4	-159.4	0	0	111.8	K215 Y425 F429	K215-E427 WeakPolarHBondContact CE-OE2 3.29Å; K215-E427 IonicContact NZ-OE1 2.86Å; K215-E427 PolarHBondContact NZ-OE1 3.22Å; K215-E427 IonicContact NZ-OE2 3.61Å; K215-E427 PolarHBondContact NZ-OE2 3.03Å; Y425-E427 HydrophobicContact CE1-CB 4.16Å; E427-F429 VanDerWaalsContact C-N 3.33Å; E427-F429 PolarHBondContact O-N 3.23Å
428	D	88	Confident	88.3	Confident	149 Å²	149	56.5 Å²	56.5	80%	0.797	30%	0.298	S	S	*	.	S	Bend	trans	-91.7	68.1	178	-62.6	-46.9	0	0	0	110.2
429	F	89.8	Confident	88	Confident	50 Å²	50	55.5 Å²	55.5	22%	0.219	29%	0.293	C	S	.	.			trans	-64.9	134.9	-176.2	171.9	-97.3	0	0	0	112.9	V148 F396 L397 L418 E427 L431	V148-F429 HydrophobicContact CG1-CE1 3.84Å; V148-F429 HydrophobicContact CG1-CZ 4.2Å; V148-F429 HydrophobicContact CG2-CD1 4.45Å; V148-F429 HydrophobicContact CG2-CE1 3.8Å; F396-F429 HydrophobicContact CE1-CB 4.17Å; F396-F429 AromaticContact CE1-CD1 3.8Å; F396-F429 HydrophobicContact CE1-CD1 3.8Å; F396-F429 HydrophobicContact CE1-CG 4.11Å; F396-F429 AromaticContact CZ-CD1 3.79Å; F396-F429 HydrophobicContact CZ-CD1 3.79Å; F396-F429 HydrophobicContact CZ-CE1 4.29Å; L397-F429 HydrophobicContact CD2-CB 3.95Å; L397-F429 HydrophobicContact CD2-CD1 4.45Å; L397-F429 HydrophobicContact CD2-CD2 3.57Å; L397-F429 HydrophobicContact CD2-CE2 4.24Å; L397-F429 HydrophobicContact CD2-CG 3.71Å; L418-F429 HydrophobicContact CB-CE2 4.07Å; L418-F429 HydrophobicContact CB-CZ 4.13Å; L418-F429 HydrophobicContact CD1-CE2 3.89Å; L418-F429 HydrophobicContact CD1-CZ 4.1Å; L418-F429 HydrophobicContact CD2-CE2 4.42Å; L418-F429 HydrophobicContact CD2-CZ 3.83Å; L418-F429 HydrophobicContact CG-CE2 4.34Å; L418-F429 HydrophobicContact CG-CZ 4.24Å; E427-F429 VanDerWaalsContact C-N 3.33Å; E427-F429 PolarHBondContact O-N 3.23Å; F429-L431 HydrophobicContact CE1-CG 4.48Å; F429-L431 HydrophobicContact CZ-CD2 4.03Å; F429-L431 HydrophobicContact CZ-CG 4.21Å
430	S	89.6	Confident	87.8	Confident	95 Å²	95	57 Å²	57	66%	0.664	30%	0.3	S	S	*	.			trans	-140.8	143.8	167.1	61.6	0	0	0	0	109.4
431	L	92.1	Very high	87.3	Confident	27 Å²	27	62.8 Å²	62.8	14%	0.141	33%	0.325	C	S	.	.			trans	-59.4	139.2	174.3	-79.9	169.6	0	0	0	111.6	V148 W149 V152 L418 F429 D435 I436	V148-L431 HydrophobicContact CG1-CD1 3.47Å; V148-L431 VanDerWaalsContact CG1-CD1 3.47Å; V148-L431 HydrophobicContact CG1-CD2 3.54Å; V148-L431 HydrophobicContact CG1-CG 3.4Å; V148-L431 VanDerWaalsContact O-CD1 3.28Å; V148-L431 WeakPolarHBondContact O-CD1 3.39Å; W149-L431 HydrophobicContact CE3-CD1 4.34Å; W149-L431 HydrophobicContact CE3-CD2 4.47Å; W149-L431 HydrophobicContact CH2-CD2 3.93Å; W149-L431 HydrophobicContact CZ3-CD1 4.4Å; W149-L431 HydrophobicContact CZ3-CD2 3.9Å; V152-L431 HydrophobicContact CG1-CD1 4.31Å; V152-L431 HydrophobicContact CG2-CD1 3.92Å; L418-L431 HydrophobicContact CB-CD2 4.15Å; L418-L431 HydrophobicContact CD2-CD2 3.81Å; F429-L431 HydrophobicContact CE1-CG 4.48Å; F429-L431 HydrophobicContact CZ-CD2 4.03Å; F429-L431 HydrophobicContact CZ-CG 4.21Å; L431-D435 HydrophobicContact CD2-CB 3.7Å; L431-I436 HydrophobicContact CB-CD1 4.07Å; L431-I436 HydrophobicContact CB-CG1 3.8Å; L431-I436 HydrophobicContact CD1-CG1 4.24Å
432	H	91.7	Very high	86.7	Confident	62 Å²	62	64.4 Å²	64.4	29%	0.287	33%	0.334	S	S	.	.			trans	-76.7	154.8	172.3	-171.4	-93.7	0	0	0	110.2	A417 D434 D435 I436	A417-H432 HydrophobicContact CB-CB 4.15Å; H432-D434 VanDerWaalsContact ND1-CB 3.3Å; H432-D434 WeakPolarHBondContact ND1-CB 3.49Å; H432-D434 PolarHBondContact ND1-N 2.86Å; H432-D434 VanDerWaalsContact ND1-N 3.14Å; H432-D434 PolarHBondContact O-N 3.26Å; H432-D435 WeakPolarHBondContact CB-OD2 3.32Å; H432-D435 PolarHBondContact N-OD2 3.23Å; H432-D435 PolarHBondContact O-N 2.72Å; H432-D435 VanDerWaalsContact O-N 3.07Å; H432-I436 WeakPolarHBondContact O-CG1 3.39Å; H432-I436 PolarHBondContact O-N 3.3Å; H432-I436 VanDerWaalsContact O-N 3.12Å
433	E	86.6	Confident	86.5	Confident	136 Å²	136	64.7 Å²	64.7	64%	0.636	34%	0.335	S	S	*	.	H	α-helix	trans	-57.1	-36.6	179.9	-173.7	168.3	-155.5	0	0	112	D435 I436 E437	E433-D435 PolarHBondContact O-N 3.45Å; E433-I436 PolarHBondContact O-N 2.88Å; E433-E437 HydrophobicContact CG-CG 4.29Å; E433-E437 WeakPolarHBondContact O-CB 3.35Å; E433-E437 WeakPolarHBondContact O-CG 3.29Å; E433-E437 PolarHBondContact O-N 2.72Å
434	D	83.6	Confident	86.1	Confident	57 Å²	57	64.3 Å²	64.3	31%	0.305	34%	0.343	S	S	.	.	H	α-helix	trans	-57.4	-45.8	174.2	-172.9	66.6	0	0	0	113.2	S412 I414 A417 H432 E437 G438	S412-D434 WeakPolarHBondContact CB-OD2 3.19Å; S412-D434 PolarHBondContact OG-OD2 3.1Å; I414-D434 HydrophobicContact CD1-CB 3.69Å; A417-D434 HydrophobicContact CB-CB 4.47Å; H432-D434 VanDerWaalsContact ND1-CB 3.3Å; H432-D434 WeakPolarHBondContact ND1-CB 3.49Å; H432-D434 PolarHBondContact ND1-N 2.86Å; H432-D434 VanDerWaalsContact ND1-N 3.14Å; H432-D434 PolarHBondContact O-N 3.26Å; D434-E437 PolarHBondContact O-N 2.71Å; D434-G438 PolarHBondContact O-N 3.5Å
435	D	85	Confident	86.1	Confident	3 Å²	3	69.2 Å²	69.2	2%	0.016	35%	0.35	C	S	.	.	H	α-helix	trans	-66.3	-41.3	177.9	-54	-58.6	0	0	0	110.7	W149 L418 M419 L431 H432 E433 G438 I439	W149-D435 HydrophobicContact CH2-CB 4.16Å; W149-D435 HydrophobicContact CZ3-CB 4.16Å; L418-D435 WeakPolarHBondContact CB-OD2 3.36Å; L418-D435 PolarHBondContact N-OD1 2.9Å; L418-D435 PolarHBondContact N-OD2 2.89Å; M419-D435 WeakPolarHBondContact CB-OD1 3.43Å; M419-D435 WeakPolarHBondContact CG-OD1 3.48Å; M419-D435 PolarHBondContact N-OD1 2.84Å; L431-D435 HydrophobicContact CD2-CB 3.7Å; H432-D435 WeakPolarHBondContact CB-OD2 3.32Å; H432-D435 PolarHBondContact N-OD2 3.23Å; H432-D435 PolarHBondContact O-N 2.72Å; H432-D435 VanDerWaalsContact O-N 3.07Å; E433-D435 PolarHBondContact O-N 3.45Å; D435-G438 PolarHBondContact O-N 3.43Å; D435-I439 WeakPolarHBondContact O-CG2 3.26Å; D435-I439 PolarHBondContact O-N 3.2Å
436	I	86.4	Confident	85.6	Confident	45 Å²	45	70.4 Å²	70.4	23%	0.231	36%	0.356	C	S	.	.	H	α-helix	trans	-64.1	-47.2	179	-64.1	173.2	0	0	0	110.3	V152 L431 H432 E433 I439 Q440	V152-I436 HydrophobicContact CB-CG2 4.4Å; V152-I436 HydrophobicContact CG1-CD1 4.41Å; V152-I436 HydrophobicContact CG1-CG1 4.27Å; L431-I436 HydrophobicContact CB-CD1 4.07Å; L431-I436 HydrophobicContact CB-CG1 3.8Å; L431-I436 HydrophobicContact CD1-CG1 4.24Å; H432-I436 WeakPolarHBondContact O-CG1 3.39Å; H432-I436 PolarHBondContact O-N 3.3Å; H432-I436 VanDerWaalsContact O-N 3.12Å; E433-I436 PolarHBondContact O-N 2.88Å; I436-I439 WeakPolarHBondContact O-CG2 3.48Å; I436-Q440 VanDerWaalsContact CG2-CD 3.47Å; I436-Q440 HydrophobicContact CG2-CG 4.23Å; I436-Q440 VanDerWaalsContact CG2-NE2 3.33Å; I436-Q440 WeakPolarHBondContact O-CB 3.41Å; I436-Q440 WeakPolarHBondContact O-CG 3.35Å; I436-Q440 PolarHBondContact O-N 2.86Å
437	E	79.3	Confident	84.2	Confident	109 Å²	109	73.8 Å²	73.8	51%	0.509	38%	0.378	S	S	.	.	H	α-helix	trans	-63.1	-42.7	177.3	-74	-171.2	170	0	0	111.3	E433 D434 F441	E433-E437 HydrophobicContact CG-CG 4.29Å; E433-E437 WeakPolarHBondContact O-CB 3.35Å; E433-E437 WeakPolarHBondContact O-CG 3.29Å; E433-E437 PolarHBondContact O-N 2.72Å; D434-E437 PolarHBondContact O-N 2.71Å; E437-F441 WeakPolarHBondContact O-CB 3.3Å; E437-F441 PolarHBondContact O-N 2.93Å
438	G	78.8	Confident	82.9	Confident	26 Å²	26	70.2 Å²	70.2	27%	0.268	37%	0.374	S	S	.	.	H	α-helix	trans	-59.1	-51.9	176.6	0	0	0	0	0	112.3	L409 D434 D435 F441 L442	L409-G438 VanDerWaalsContact CD2-C 3.45Å; D434-G438 PolarHBondContact O-N 3.5Å; D435-G438 PolarHBondContact O-N 3.43Å; G438-F441 WeakPolarHBondContact O-CB 3.08Å; G438-F441 PolarHBondContact O-N 2.83Å; G438-L442 PolarHBondContact O-N 3.13Å
439	I	87.7	Confident	80.6	Confident	0 Å²	0	69.4 Å²	69.4	0%	0	38%	0.377	C	S	.	.	H	α-helix	trans	-72	-36.4	-176.8	-160.8	70.5	0	0	0	112.1	W149 V152 T153 L407 L409 D435 I436 F441 L442 Y443	W149-I439 HydrophobicContact CE3-CB 3.92Å; W149-I439 HydrophobicContact CE3-CD1 4.21Å; W149-I439 HydrophobicContact CE3-CG1 3.83Å; W149-I439 HydrophobicContact CE3-CG2 3.97Å; W149-I439 HydrophobicContact CZ3-CB 3.97Å; W149-I439 HydrophobicContact CZ3-CG1 4.33Å; W149-I439 HydrophobicContact CZ3-CG2 4.12Å; V152-I439 HydrophobicContact CG2-CG2 3.78Å; T153-I439 HydrophobicContact CG2-CB 4.22Å; T153-I439 HydrophobicContact CG2-CG1 3.65Å; T153-I439 HydrophobicContact CG2-CG2 3.68Å; L407-I439 HydrophobicContact CB-CD1 3.77Å; L407-I439 HydrophobicContact CD1-CD1 4.01Å; L409-I439 HydrophobicContact CD1-CB 4.17Å; L409-I439 HydrophobicContact CD1-CD1 4.02Å; L409-I439 HydrophobicContact CD2-CB 4.34Å; L409-I439 HydrophobicContact CD2-CD1 4.21Å; L409-I439 HydrophobicContact CG-CD1 3.98Å; D435-I439 WeakPolarHBondContact O-CG2 3.26Å; D435-I439 PolarHBondContact O-N 3.2Å; I436-I439 WeakPolarHBondContact O-CG2 3.48Å; I439-F441 VanDerWaalsContact C-N 3.3Å; I439-F441 PolarHBondContact O-N 2.83Å; I439-L442 PolarHBondContact O-N 2.86Å; I439-Y443 HydrophobicContact CD1-CD2 3.71Å; I439-Y443 HydrophobicContact CD1-CE2 3.72Å; I439-Y443 HydrophobicContact CG1-CD2 4Å; I439-Y443 WeakPolarHBondContact O-CD2 3.22Å; I439-Y443 PolarHBondContact O-N 3.22Å
440	Q	87.6	Confident	78.3	Confident	33 Å²	33	74.2 Å²	74.2	15%	0.154	41%	0.405	C	S	.	.	H	α-helix	trans	-72.2	-26	176	-69.9	177.3	-0.1	0	0	112.2	V152 I436 L442 G444 R445	V152-Q440 WeakPolarHBondContact O-CG 3.37Å; V152-Q440 PolarHBondContact O-NE2 2.88Å; I436-Q440 VanDerWaalsContact CG2-CD 3.47Å; I436-Q440 HydrophobicContact CG2-CG 4.23Å; I436-Q440 VanDerWaalsContact CG2-NE2 3.33Å; I436-Q440 WeakPolarHBondContact O-CB 3.41Å; I436-Q440 WeakPolarHBondContact O-CG 3.35Å; I436-Q440 PolarHBondContact O-N 2.86Å; Q440-L442 VanDerWaalsContact C-N 3.26Å; Q440-L442 PolarHBondContact O-N 3.25Å; Q440-G444 WeakPolarHBondContact O-CA 3.44Å; Q440-G444 PolarHBondContact O-N 3.45Å; Q440-R445 HydrophobicContact CB-CG 4.33Å; Q440-R445 HydrophobicContact CG-CG 4.03Å
441	F	80.2	Confident	75.8	Confident	134 Å²	134	74.1 Å²	74.1	59%	0.588	40%	0.402	S	S	*	.	H	α-helix	trans	-62.4	-38.3	170.5	174.2	-99.3	0	0	0	111	E437 G438 I439	E437-F441 WeakPolarHBondContact O-CB 3.3Å; E437-F441 PolarHBondContact O-N 2.93Å; G438-F441 WeakPolarHBondContact O-CB 3.08Å; G438-F441 PolarHBondContact O-N 2.83Å; I439-F441 VanDerWaalsContact C-N 3.3Å; I439-F441 PolarHBondContact O-N 2.83Å
442	L	75.6	Confident	73.1	Confident	37 Å²	37	78.6 Å²	78.6	19%	0.194	43%	0.431	C	S	.	.	H	α-helix	trans	-75.4	-54.5	176.4	-64.2	178.4	0	0	0	111.8	K116 L409 G438 I439 Q440	K116-L442 HydrophobicContact CB-CD2 4.46Å; K116-L442 HydrophobicContact CD-CB 4.31Å; K116-L442 VanDerWaalsContact CD-O 3.29Å; K116-L442 WeakPolarHBondContact CD-O 3.45Å; K116-L442 WeakPolarHBondContact CE-O 3.38Å; K116-L442 HydrophobicContact CG-CB 4.21Å; K116-L442 PolarHBondContact NZ-O 3.01Å; L409-L442 HydrophobicContact CD2-CD1 3.93Å; G438-L442 PolarHBondContact O-N 3.13Å; I439-L442 PolarHBondContact O-N 2.86Å; Q440-L442 VanDerWaalsContact C-N 3.26Å; Q440-L442 PolarHBondContact O-N 3.25Å
443	Y	85.6	Confident	70.4	Confident	17 Å²	17	80.8 Å²	80.8	7%	0.067	45%	0.45	C	S	.	.	H	α-helix	trans	-107.8	-6.3	-165.6	-61.8	-81.2	0	0	0	115	K116 W117 P154 L155 L407 I439	K116-Y443 HydrophobicContact CD-CD1 4.35Å; K116-Y443 HydrophobicContact CD-CE1 4.1Å; K116-Y443 VanDerWaalsContact CE-CE1 3.42Å; K116-Y443 HydrophobicContact CG-CD1 4.16Å; K116-Y443 HydrophobicContact CG-CE1 3.45Å; K116-Y443 VanDerWaalsContact CG-CE1 3.45Å; K116-Y443 HydrophobicContact CG-CE2 4.14Å; K116-Y443 VanDerWaalsContact CG-CZ 3.45Å; K116-Y443 WeakPolarHBondContact CG-OH 3.07Å; W117-Y443 HydrophobicContact CB-CE1 4.2Å; W117-Y443 PolarHBondContact N-OH 3.5Å; W117-Y443 VanDerWaalsContact N-OH 3.1Å; P154-Y443 WeakPolarHBondContact CD-O 3.38Å; L155-Y443 HydrophobicContact CD1-CD1 3.96Å; L155-Y443 HydrophobicContact CD1-CD2 3.71Å; L155-Y443 HydrophobicContact CD1-CE1 4.23Å; L155-Y443 HydrophobicContact CD1-CE2 4Å; L155-Y443 HydrophobicContact CD1-CG 3.7Å; L155-Y443 HydrophobicContact CD2-CD1 3.61Å; L155-Y443 HydrophobicContact CD2-CE1 3.79Å; L155-Y443 HydrophobicContact CD2-CG 4.17Å; L155-Y443 HydrophobicContact CG-CD1 3.92Å; L155-Y443 HydrophobicContact CG-CD2 4.47Å; L155-Y443 HydrophobicContact CG-CE1 4.42Å; L155-Y443 HydrophobicContact CG-CG 3.95Å; L407-Y443 HydrophobicContact CB-CE2 4.14Å; L407-Y443 WeakPolarHBondContact O-CE2 2.95Å; L407-Y443 PolarHBondContact O-OH 3.21Å; I439-Y443 HydrophobicContact CD1-CD2 3.71Å; I439-Y443 HydrophobicContact CD1-CE2 3.72Å; I439-Y443 HydrophobicContact CG1-CD2 4Å; I439-Y443 WeakPolarHBondContact O-CD2 3.22Å; I439-Y443 PolarHBondContact O-N 3.22Å
444	G	86	Confident	67.8	Low	31 Å²	31	80.7 Å²	80.7	32%	0.32	46%	0.461	S	S	.	.			trans	81.3	174.1	-173.4	0	0	0	0	0	113.2	P154 Q440	P154-G444 VanDerWaalsContact CD-O 3.28Å; P154-G444 WeakPolarHBondContact CD-O 3.31Å; Q440-G444 WeakPolarHBondContact O-CA 3.44Å; Q440-G444 PolarHBondContact O-N 3.45Å
445	R	90.8	Very high	65.6	Low	175 Å²	175	86.1 Å²	86.1	66%	0.66	49%	0.485	S	S	*	.			trans	-81.6	144.5	174.8	-76.8	178.3	178.6	-177.2	2.9	110.9	Q440 T447	Q440-R445 HydrophobicContact CB-CG 4.33Å; Q440-R445 HydrophobicContact CG-CG 4.03Å; R445-T447 PolarHBondContact O-N 3.39Å; R445-T447 VanDerWaalsContact O-N 3.13Å
446	K	81.3	Confident	63.1	Low	99 Å²	99	91.3 Å²	91.3	43%	0.43	52%	0.519	S	S	.	.			trans	-60.2	115.3	168.1	-162.9	170.9	-170.1	162.2	0	109.2	S150 D151	S150-K446 PolarHBondContact O-NZ 3.44Å; D151-K446 WeakPolarHBondContact O-CD 3.49Å
447	T	59.6	Low	60.5	Low	141 Å²	141	97.3 Å²	97.3	87%	0.865	55%	0.551	S	S	*	*			trans	-100.3	84.8	176.3	43.1	0	0	0	0	108.3	R445	R445-T447 PolarHBondContact O-N 3.39Å; R445-T447 VanDerWaalsContact O-N 3.13Å
448	G	54.9	Low	58.3	Low	49 Å²	49	98 Å²	98	51%	0.505	56%	0.564	S	S	.	*	S	Bend	trans	-164.5	161.8	177.6	0	0	0	0	0	110.7	D450	G448-D450 PolarHBondContact O-N 3Å
449	P	41.1	Very low	56	Low	132 Å²	132	102.1 Å²	102.1	86%	0.857	59%	0.585	S	S	*	*			trans	-60.3	137.6	174.9	25.1	-31.4	0	0	0	110.1
450	D	40.1	Very low	53.1	Low	150 Å²	150	107.9 Å²	107.9	80%	0.802	62%	0.621	S	S	*	*			trans	-51.6	132.3	177.6	-89.3	-39.4	0	0	0	110.8	G448 T452	G448-D450 PolarHBondContact O-N 3Å; D450-T452 PolarHBondContact O-N 3.05Å
451	P	38.1	Very low	50.3	Low	93 Å²	93	113 Å²	113	60%	0.604	65%	0.654	S	S	*	*			trans	-62.1	114.2	168.9	24.7	-29.6	0	0	0	108.5
452	T	34.4	Very low	47.8	Very low	122 Å²	122	112.3 Å²	112.3	75%	0.748	66%	0.661	S	S	*	*			trans	-62	134.2	176.7	-39.2	0	0	0	0	108.9	D450	D450-T452 PolarHBondContact O-N 3.05Å
453	P	36.3	Very low	45.8	Very low	107 Å²	107	116.7 Å²	116.7	70%	0.695	69%	0.692	S	S	*	*			trans	-51.7	137.3	173.9	-24.4	31.8	0	0	0	110.5	Q455	P453-Q455 PolarHBondContact O-N 2.03Å
454	P	32.4	Very low	43	Very low	134 Å²	134	126.4 Å²	126.4	87%	0.87	73%	0.73	S	S	*	*			trans	-62.8	108.4	177.9	23.5	-30.2	0	0	0	109.4
455	Q	36.8	Very low	41.1	Very low	172 Å²	172	129.7 Å²	129.7	80%	0.804	75%	0.746	S	S	*	*			trans	-76.3	140.7	174.2	-118.8	-178.6	-25.2	0	0	109.7	P453 N457	P453-Q455 PolarHBondContact O-N 2.03Å; Q455-N457 PolarHBondContact O-N 2.75Å
456	P	33.5	Very low	38.1	Very low	112 Å²	112	129.2 Å²	129.2	73%	0.727	76%	0.756	S	S	*	*			trans	-61.4	125.6	173.5	-15.4	26.7	0	0	0	110.8	T458	P456-T458 PolarHBondContact O-N 3.46Å; P456-T458 VanDerWaalsContact O-N 3.12Å
457	N	31.2	Very low	35.7	Very low	170 Å²	170	132.7 Å²	132.7	91%	0.909	77%	0.774	S	S	*	*			trans	-58.4	113.7	176.9	-71.5	-33.9	0	0	0	111	Q455	Q455-N457 PolarHBondContact O-N 2.75Å
458	T	31.8	Very low	34.4	Very low	125 Å²	125	131.5 Å²	131.5	77%	0.767	77%	0.771	S	S	*	*			trans	-129.6	133	162.8	-47.2	0	0	0	0	108.6	P456	P456-T458 PolarHBondContact O-N 3.46Å; P456-T458 VanDerWaalsContact O-N 3.12Å
459	P	31.6	Very low	33.3	Very low	112 Å²	112	136.4 Å²	136.4	73%	0.727	79%	0.786	S	S	*	*			trans	-81.2	136.3	-165.3	29.2	-33.3	0	0	0	114.8
460	T	26.6	Very low	32.9	Very low	121 Å²	121	133.9 Å²	133.9	74%	0.742	78%	0.776	S	S	*	*			trans	58.3	116.3	143.7	-42.2	0	0	0	0	119.9
461	T	27.7	Very low	32.4	Very low	139 Å²	139	133.5 Å²	133.5	85%	0.853	78%	0.78	S	S	*	*				-170.3	126.8	109	6.9	0	0	0	0	112.4
462	T	27.7	Very low	32.2	Very low	121 Å²	121	137.8 Å²	137.8	74%	0.742	79%	0.792	S	S	*	*			trans	-65.5	156.7	161.5	36.7	0	0	0	0	110.5
463	P	33.7	Very low	32.2	Very low	128 Å²	128	140.2 Å²	140.2	83%	0.831	79%	0.794	S	S	*	*				-146	157.1	55.8	32.6	-8.8	0	0	0	118.9
464	Y	27.2	Very low	32.6	Very low	221 Å²	221	140.2 Å²	140.2	87%	0.867	80%	0.795	S	S	*	*			trans	-75.6	-179	161.5	-93	-78.2	0	0	0	111.9
465	P	46.4	Very low	32.7	Very low	101 Å²	101	142.2 Å²	142.2	66%	0.656	79%	0.792	S	S	*	*			cis	-131.8	174.6	-26.6	30.3	-11.5	0	0	0	112.1
466	D	28.6	Very low	33.1	Very low	164 Å²	164	138.6 Å²	138.6	88%	0.877	78%	0.784	S	S	*	*			trans	-156.3	149.9	137.3	-111.4	-19.6	0	0	0	113.4
467	E	31.1	Very low	32.9	Very low	173 Å²	173	139.6 Å²	139.6	81%	0.808	79%	0.788	S	S	*	*			trans	-83.3	173.8	-163	-86.3	173.3	144.2	0	0	116.3
468	S	31.7	Very low	32.9	Very low	115 Å²	115	138.3 Å²	138.3	80%	0.804	78%	0.781	S	S	*	*			trans	84.5	143	153	80.7	0	0	0	0	116.2
469	D	31.7	Very low	33.7	Very low	153 Å²	153	136.8 Å²	136.8	82%	0.818	77%	0.773	S	S	*	*			cis	-160.1	157.4	10.9	-156.6	-4	0	0	0	109.2
470	A	32.1	Very low	33.6	Very low	78 Å²	78	136.2 Å²	136.2	65%	0.645	77%	0.772	S	S	*	*			trans	-95.1	151.4	172.3	0	0	0	0	0	110.3
471	T	30.9	Very low	33.9	Very low	143 Å²	143	136.7 Å²	136.7	88%	0.877	77%	0.774	S	S	*	*			trans	-170	119	145.8	11.9	0	0	0	0	112.1
472	E	32.2	Very low	33.9	Very low	183 Å²	183	136.9 Å²	136.9	86%	0.855	78%	0.775	S	S	*	*			trans	-64.6	160.1	151.7	-68.6	174	130	0	0	109
473	E	35.3	Very low	34.4	Very low	172 Å²	172	137 Å²	137	80%	0.804	78%	0.776	S	S	*	*				174.8	-165	60.7	-152.5	-164.5	162.2	0	0	108
474	P	44.2	Very low	34.1	Very low	108 Å²	108	137 Å²	137	70%	0.701	77%	0.773	S	S	*	*				-110.6	-178.3	-100.1	37.9	-20.1	0	0	0	117.8
475	E	34.2	Very low	34.4	Very low	176 Å²	176	132.1 Å²	132.1	82%	0.822	77%	0.769	S	S	*	*			trans	-44.6	172.2	160.8	-103.4	-168.3	172.1	0	0	116
476	P	46	Very low	33.6	Very low	96 Å²	96	132.7 Å²	132.7	62%	0.623	78%	0.775	S	S	*	*			cis	-157.7	-179.4	41.7	40.3	-16	0	0	0	120.6
477	T	29.4	Very low	33.8	Very low	133 Å²	133	131.4 Å²	131.4	82%	0.816	77%	0.774	S	S	*	*			trans	68.1	142	146.4	50.5	0	0	0	0	120.5
478	D	31.4	Very low	34.3	Very low	143 Å²	143	127.9 Å²	127.9	77%	0.765	76%	0.764	S	S	*	*			cis	-178.4	-159.4	-0.9	-172.2	26.5	0	0	0	105.6
479	P	48.1	Very low	34.9	Very low	93 Å²	93	125.6 Å²	125.6	60%	0.604	74%	0.742	S	S	*	*				-107.4	178.3	-76.1	27.2	-9.2	0	0	0	114.8
480	S	28.8	Very low	35.6	Very low	100 Å²	100	122.5 Å²	122.5	70%	0.699	73%	0.731	S	S	*	*			trans	121.6	91.9	135.2	-50.2	0	0	0	0	117.9
481	V	33	Very low	36.7	Very low	131 Å²	131	124.1 Å²	124.1	79%	0.794	73%	0.733	S	S	*	*				28.8	112.3	124.9	-170.7	0	0	0	0	118.4
482	V	29	Very low	38.3	Very low	142 Å²	142	121.5 Å²	121.5	86%	0.861	71%	0.709	S	S	*	*			trans	-133.1	131.9	142.2	177.2	0	0	0	0	109.2
483	T	36.8	Very low	40.6	Very low	125 Å²	125	114.7 Å²	114.7	77%	0.767	68%	0.679	S	S	*	*			trans	-88.7	126.9	-170.7	-25.9	0	0	0	0	110.9
484	T	28.4	Very low	42.8	Very low	127 Å²	127	106.7 Å²	106.7	78%	0.779	64%	0.641	S	S	*	*			trans	-144.3	153.2	163.5	28.1	0	0	0	0	110
485	P	33.8	Very low	44.7	Very low	118 Å²	118	102 Å²	102	77%	0.766	61%	0.611	S	S	*	*			trans	-73.8	132.4	-154.8	28.5	-31.5	0	0	0	112.1	T487	P485-T487 PolarHBondContact O-N 3.23Å
486	S	30.1	Very low	46.9	Very low	114 Å²	114	99.9 Å²	99.9	80%	0.797	60%	0.599	S	S	*	*			trans	-62.2	103.6	179.5	19.5	0	0	0	0	111.4	V488	S486-V488 PolarHBondContact O-N 2.83Å; S486-V488 VanDerWaalsContact O-N 3.16Å
487	T	31.9	Very low	48.5	Very low	137 Å²	137	97.2 Å²	97.2	84%	0.84	58%	0.579	S	S	*	*			trans	-65.9	104.5	157.3	48.8	0	0	0	0	107.8	P485 D489	P485-T487 PolarHBondContact O-N 3.23Å; T487-D489 PolarHBondContact O-N 2.97Å
488	V	40.5	Very low	50.6	Low	99 Å²	99	97 Å²	97	60%	0.6	57%	0.572	S	S	*	*			trans	-64.3	120.1	173	-171.3	0	0	0	0	107.8	S486	S486-V488 PolarHBondContact O-N 2.83Å; S486-V488 VanDerWaalsContact O-N 3.16Å
489	D	45.7	Very low	52.9	Low	66 Å²	66	95.5 Å²	95.5	35%	0.353	56%	0.559	S	S	.	*			trans	-44.6	122.3	169.6	179.4	-14.2	0	0	0	110.2	T487 T491 K492	T487-D489 PolarHBondContact O-N 2.97Å; D489-T491 PolarHBondContact O-N 3.01Å; D489-T491 WeakPolarHBondContact OD1-CB 3.38Å; D489-T491 PolarHBondContact OD1-N 2.86Å; D489-T491 PolarHBondContact OD1-OG1 3.31Å; D489-T491 PolarHBondContact OD2-OG1 3.39Å; D489-T491 VanDerWaalsContact OD2-OG1 3.07Å; D489-K492 HydrophobicContact CB-CB 4.39Å; D489-K492 HydrophobicContact CB-CD 4.26Å; D489-K492 HydrophobicContact CB-CG 4.23Å; D489-K492 PolarHBondContact O-N 3.22Å; D489-K492 WeakPolarHBondContact OD2-CE 2.98Å
490	P	45.6	Very low	54.9	Low	88 Å²	88	91.6 Å²	91.6	57%	0.571	53%	0.533	S	S	*	.	T	Hydrogen-bonded Turn	trans	-57	-20.7	-178.1	-23	31.6	0	0	0	114.6
491	T	54.9	Low	57.8	Low	112 Å²	112	88.4 Å²	88.4	69%	0.687	51%	0.508	S	S	*	.	T	Hydrogen-bonded Turn	trans	-82.2	-13.6	178.9	66.7	0	0	0	0	113.3	D489	D489-T491 PolarHBondContact O-N 3.01Å; D489-T491 WeakPolarHBondContact OD1-CB 3.38Å; D489-T491 PolarHBondContact OD1-N 2.86Å; D489-T491 PolarHBondContact OD1-OG1 3.31Å; D489-T491 PolarHBondContact OD2-OG1 3.39Å; D489-T491 VanDerWaalsContact OD2-OG1 3.07Å
492	K	64.6	Low	60.8	Low	89 Å²	89	82.2 Å²	82.2	39%	0.387	47%	0.47	S	S	.	.	S	Bend	trans	-112.3	13.3	-175.9	-59	-175.9	-174.6	176.7	0	114	D489 P494	D489-K492 HydrophobicContact CB-CB 4.39Å; D489-K492 HydrophobicContact CB-CD 4.26Å; D489-K492 HydrophobicContact CB-CG 4.23Å; D489-K492 PolarHBondContact O-N 3.22Å; D489-K492 WeakPolarHBondContact OD2-CE 2.98Å; K492-P494 VanDerWaalsContact O-CD 3.26Å; K492-P494 WeakPolarHBondContact O-CD 3.41Å
493	D	80.6	Confident	63.9	Low	40 Å²	40	75.7 Å²	75.7	21%	0.214	43%	0.43	C	S	.	.			trans	-80	112.7	174.2	-180	10.8	0	0	0	110.4	C495 K496 R529	D493-C495 PolarHBondContact O-N 3.23Å; D493-C495 VanDerWaalsContact O-N 3.11Å; D493-C495 VanDerWaalsContact OD1-CB 3.3Å; D493-C495 WeakPolarHBondContact OD1-CB 3.4Å; D493-C495 PolarHBondContact OD1-N 3.08Å; D493-K496 HydrophobicContact CB-CD 4.16Å; D493-K496 HydrophobicContact CB-CG 4.15Å; D493-K496 PolarHBondContact O-N 3.37Å; D493-R529 IonicContact OD1-NH2 3.59Å; D493-R529 PolarHBondContact OD1-NH2 2.88Å
494	P	82.4	Confident	66.6	Low	3 Å²	3	70 Å²	70	2%	0.019	40%	0.395	C	S	.	.	T	Hydrogen-bonded Turn	trans	-68.3	-11.9	179.2	33.8	-40.9	0	0	0	112.7	K492 K496 M497 F500 W519 L678	K492-P494 VanDerWaalsContact O-CD 3.26Å; K492-P494 WeakPolarHBondContact O-CD 3.41Å; P494-K496 VanDerWaalsContact C-N 3.27Å; P494-M497 HydrophobicContact CB-SD 3.96Å; P494-M497 PolarHBondContact O-N 3.06Å; P494-F500 HydrophobicContact CB-CE1 4.09Å; P494-F500 HydrophobicContact CB-CZ 4Å; P494-W519 HydrophobicContact CB-CD2 3.73Å; P494-W519 HydrophobicContact CB-CE3 3.99Å; P494-W519 HydrophobicContact CB-CG 4.27Å; P494-W519 HydrophobicContact CB-CH2 4.33Å; P494-W519 HydrophobicContact CB-CZ2 4Å; P494-W519 HydrophobicContact CB-CZ3 4.3Å; P494-W519 HydrophobicContact CG-CD2 3.86Å; P494-W519 HydrophobicContact CG-CG 3.98Å; P494-W519 HydrophobicContact CG-CZ2 4.24Å; P494-L678 HydrophobicContact CB-CD2 4.02Å; P494-L678 HydrophobicContact CG-CD2 4.45Å; P494-L678 VanDerWaalsContact O-CD2 3.3Å; P494-L678 WeakPolarHBondContact O-CD2 3.45Å
495	C	82.7	Confident	69.7	Low	11 Å²	11	65.3 Å²	65.3	7%	0.074	37%	0.366	C	S	.	.	T	Hydrogen-bonded Turn	trans	-72.8	-17.1	167.4	-67.3	0	0	0	0	113.3	D493 R529 K674 C680	D493-C495 PolarHBondContact O-N 3.23Å; D493-C495 VanDerWaalsContact O-N 3.11Å; D493-C495 VanDerWaalsContact OD1-CB 3.3Å; D493-C495 WeakPolarHBondContact OD1-CB 3.4Å; D493-C495 PolarHBondContact OD1-N 3.08Å; C495-R529 PolarHBondContact SG-NH1 3.45Å; C495-K674 VanDerWaalsContact O-CD 3.31Å; C495-K674 WeakPolarHBondContact O-CD 3.43Å; C495-K674 WeakPolarHBondContact O-CE 3.36Å; C495-K674 PolarHBondContact O-NZ 2.71Å; C495-C680 WeakPolarHBondContact CA-SG 3.25Å; C495-C680 HydrophobicContact CB-CB 3.88Å; C495-C680 WeakPolarHBondContact CB-SG 3.47Å; C495-C680 VanDerWaalsContact SG-CA 3.6Å; C495-C680 WeakPolarHBondContact SG-CB 3.39Å; C495-C680 CovalentContact SG-SG 2.03Å; C495-C680 PolarHBondContact SG-SG 3.17Å
496	K	80.5	Confident	72.4	Confident	131 Å²	131	59.7 Å²	59.7	57%	0.57	33%	0.33	S	S	*	.	S	Bend	trans	-93.5	-7.3	175.3	-64.1	179.9	-172.8	174.9	0	112.6	D493 P494	D493-K496 HydrophobicContact CB-CD 4.16Å; D493-K496 HydrophobicContact CB-CG 4.15Å; D493-K496 PolarHBondContact O-N 3.37Å; P494-K496 VanDerWaalsContact C-N 3.27Å
497	M	80.8	Confident	75.1	Confident	40 Å²	40	60.4 Å²	60.4	20%	0.197	32%	0.321	C	S	.	.			trans	-73.6	134.1	178.5	-64.6	177.7	179.7	0	0	111.3	P494 F500 K514 W519	P494-M497 HydrophobicContact CB-SD 3.96Å; P494-M497 PolarHBondContact O-N 3.06Å; M497-F500 HydrophobicContact CB-CE1 4.41Å; M497-F500 HydrophobicContact CB-CZ 4.11Å; M497-F500 HydrophobicContact SD-CD1 4.22Å; M497-F500 HydrophobicContact SD-CE1 3.54Å; M497-F500 VanDerWaalsContact SD-CE1 3.54Å; M497-F500 HydrophobicContact SD-CZ 4.07Å; M497-K514 HydrophobicContact CE-CB 4.38Å; M497-K514 HydrophobicContact CE-CG 4.11Å; M497-K514 HydrophobicContact SD-CB 4Å; M497-K514 HydrophobicContact SD-CG 3.81Å; M497-W519 HydrophobicContact CE-CH2 3.28Å; M497-W519 HydrophobicContact CE-CZ2 3.84Å; M497-W519 HydrophobicContact CE-CZ3 4.02Å; M497-W519 HydrophobicContact SD-CH2 3.83Å; M497-W519 HydrophobicContact SD-CZ3 3.95Å
498	L	72.1	Confident	77.6	Confident	129 Å²	129	55.8 Å²	55.8	68%	0.675	30%	0.3	S	S	*	.	S	Bend	trans	-87.5	-26.4	177.2	-67.5	173.5	0	0	0	112.3
499	K	81.2	Confident	79.9	Confident	111 Å²	111	54.5 Å²	54.5	48%	0.483	29%	0.287	S	S	.	.			trans	-152.7	146	-177.2	-172.7	176.2	178.2	-177.3	0	110.1
500	F	89.7	Confident	82.1	Confident	11 Å²	11	51.5 Å²	51.5	5%	0.048	27%	0.271	C	S	.	.			trans	-104.9	157.9	171.5	-69.1	-82	0	0	0	109.5	P494 M497 I503 F512 F513 K514 W519 V673 L678	P494-F500 HydrophobicContact CB-CE1 4.09Å; P494-F500 HydrophobicContact CB-CZ 4Å; M497-F500 HydrophobicContact CB-CE1 4.41Å; M497-F500 HydrophobicContact CB-CZ 4.11Å; M497-F500 HydrophobicContact SD-CD1 4.22Å; M497-F500 HydrophobicContact SD-CE1 3.54Å; M497-F500 VanDerWaalsContact SD-CE1 3.54Å; M497-F500 HydrophobicContact SD-CZ 4.07Å; F500-I503 HydrophobicContact CB-CG1 4.18Å; F500-I503 HydrophobicContact CD2-CD1 4.43Å; F500-F512 HydrophobicContact CD1-CB 3.76Å; F500-F512 HydrophobicContact CD1-CD1 4.36Å; F500-F512 AromaticContact CD2-CD1 3.84Å; F500-F512 HydrophobicContact CD2-CD1 3.84Å; F500-F512 HydrophobicContact CE1-CB 3.81Å; F500-F512 HydrophobicContact CE1-CD1 4.37Å; F500-F512 HydrophobicContact CE1-CG 4.49Å; F500-F512 AromaticContact CE2-CD1 3.85Å; F500-F512 HydrophobicContact CE2-CD1 3.85Å; F500-F512 HydrophobicContact CG-CB 4.24Å; F500-F512 HydrophobicContact CG-CD1 4.12Å; F500-F512 HydrophobicContact CZ-CB 4.33Å; F500-F512 HydrophobicContact CZ-CD1 4.14Å; F500-F513 WeakPolarHBondContact CB-O 3.44Å; F500-K514 HydrophobicContact CD1-CB 4.12Å; F500-W519 HydrophobicContact CD1-CZ3 4.48Å; F500-W519 HydrophobicContact CE1-CE3 4.02Å; F500-W519 HydrophobicContact CE1-CZ3 4.01Å; F500-V673 HydrophobicContact CD2-CG1 4.48Å; F500-L678 HydrophobicContact CE2-CD2 4.18Å; F500-L678 HydrophobicContact CZ-CD2 3.78Å
501	D	90.3	Very high	84.4	Confident	33 Å²	33	47.4 Å²	47.4	18%	0.176	24%	0.244	C	C	.	.	S	Bend	trans	-70.9	-45.5	177.3	-60.6	-21	0	0	0	110.3	F513 K514 D515 V545	D501-F513 PolarHBondContact N-O 3.15Å; D501-K514 WeakPolarHBondContact OD1-CD 3.48Å; D501-K514 IonicContact OD1-NZ 3.66Å; D501-K514 PolarHBondContact OD1-NZ 3.06Å; D501-K514 VanDerWaalsContact OD2-CA 3.22Å; D501-K514 WeakPolarHBondContact OD2-CA 3.5Å; D501-D515 PolarHBondContact OD2-N 3.04Å; D501-V545 HydrophobicContact CB-CG1 3.98Å
502	T	94.1	Very high	86.3	Confident	1 Å²	1	42 Å²	42	1%	0.006	21%	0.212	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-153.7	154.9	165.4	-175	0	0	0	0	112.6	F513 I546 D547 D642	T502-F513 HydrophobicContact CG2-CB 3.95Å; T502-F513 HydrophobicContact CG2-CD2 3.75Å; T502-F513 HydrophobicContact CG2-CG 4.09Å; T502-F513 PolarHBondContact O-N 3.23Å; T502-I546 WeakPolarHBondContact CB-O 2.95Å; T502-I546 HydrophobicContact CG2-CD1 3.88Å; T502-I546 HydrophobicContact CG2-CG1 3.67Å; T502-I546 WeakPolarHBondContact CG2-O 3.47Å; T502-D547 VanDerWaalsContact CB-O 3.27Å; T502-D547 WeakPolarHBondContact CB-O 3.28Å; T502-D547 PolarHBondContact OG1-O 3.3Å; T502-D642 WeakPolarHBondContact CA-OD1 3.36Å; T502-D642 WeakPolarHBondContact CB-OD1 3.44Å; T502-D642 PolarHBondContact OG1-OD1 3.03Å
503	I	94.6	Very high	87.6	Confident	4 Å²	4	37.8 Å²	37.8	2%	0.021	19%	0.193	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-119.9	122.1	170.8	-53.7	168.6	0	0	0	108.7	F500 L510 H511 F512 D642 F644 V673	F500-I503 HydrophobicContact CB-CG1 4.18Å; F500-I503 HydrophobicContact CD2-CD1 4.43Å; I503-L510 HydrophobicContact CG2-CD2 3.96Å; I503-H511 WeakPolarHBondContact CA-O 3.35Å; I503-F512 HydrophobicContact CD1-CD1 3.91Å; I503-F512 HydrophobicContact CD1-CE1 3.8Å; I503-F512 HydrophobicContact CG1-CD1 3.73Å; I503-F512 HydrophobicContact CG1-CE1 4.03Å; I503-F512 HydrophobicContact CG2-CD1 4.23Å; I503-F512 HydrophobicContact CG2-CE1 4.03Å; I503-F512 HydrophobicContact CG2-CZ 4.31Å; I503-D642 HydrophobicContact CB-CB 4.37Å; I503-D642 WeakPolarHBondContact CB-OD2 3.42Å; I503-D642 VanDerWaalsContact CG1-OD2 3.3Å; I503-D642 WeakPolarHBondContact CG1-OD2 3.29Å; I503-D642 PolarHBondContact N-OD1 2.81Å; I503-D642 PolarHBondContact N-OD2 3.09Å; I503-F644 HydrophobicContact CB-CD1 4.3Å; I503-F644 HydrophobicContact CB-CE1 3.77Å; I503-F644 HydrophobicContact CB-CZ 4.46Å; I503-F644 HydrophobicContact CG2-CD1 4.17Å; I503-F644 HydrophobicContact CG2-CE1 3.47Å; I503-F644 VanDerWaalsContact CG2-CE1 3.47Å; I503-F644 HydrophobicContact CG2-CZ 3.68Å; I503-F644 WeakPolarHBondContact O-CD1 3.09Å; I503-V673 HydrophobicContact CD1-CG1 3.5Å; I503-V673 HydrophobicContact CD1-CG2 4.39Å
504	T	94.6	Very high	88.1	Confident	6 Å²	6	38.1 Å²	38.1	4%	0.037	19%	0.193	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-146	170.5	-179.4	-177.8	0	0	0	0	112	I506 H511 F513 A549	T504-I506 HydrophobicContact CG2-CD1 4.13Å; T504-I506 HydrophobicContact CG2-CG1 4.18Å; T504-H511 PolarHBondContact N-O 3.24Å; T504-H511 VanDerWaalsContact N-O 3.08Å; T504-H511 PolarHBondContact O-N 3.41Å; T504-F513 HydrophobicContact CG2-CD2 4.29Å; T504-F513 HydrophobicContact CG2-CE2 3.73Å; T504-A549 HydrophobicContact CG2-CB 3.86Å; T504-A549 PolarHBondContact OG1-O 3.28Å
505	V	92.6	Very high	88.3	Confident	28 Å²	28	42.8 Å²	42.8	17%	0.17	22%	0.218	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-112	117.8	177.3	-178.4	0	0	0	0	109.6	H509 L510 F644 Q645 H646	V505-H509 WeakPolarHBondContact CA-O 3.46Å; V505-L510 HydrophobicContact CG2-CD2 3.82Å; V505-L510 HydrophobicContact CG2-CG 4.25Å; V505-F644 HydrophobicContact CG2-CD2 4Å; V505-Q645 WeakPolarHBondContact CG2-O 3.29Å; V505-H646 HydrophobicContact CG2-CB 4.02Å
506	I	91	Very high	88.4	Confident	0 Å²	0	43.1 Å²	43.1	0%	0	22%	0.222	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-126.1	131.3	176.7	-55.4	170.3	0	0	0	107.4	T504 G508 H509 H511 F513 W539 A549 I558 F560	T504-I506 HydrophobicContact CG2-CD1 4.13Å; T504-I506 HydrophobicContact CG2-CG1 4.18Å; I506-G508 PolarHBondContact O-N 3.47Å; I506-G508 VanDerWaalsContact O-N 3.08Å; I506-H509 PolarHBondContact N-O 3.25Å; I506-H509 VanDerWaalsContact N-O 3.09Å; I506-H509 PolarHBondContact O-N 2.82Å; I506-H511 PolarHBondContact O-CE1 3.43Å; I506-H511 VanDerWaalsContact O-CE1 3.23Å; I506-F513 HydrophobicContact CD1-CE2 4.26Å; I506-F513 HydrophobicContact CD1-CZ 4.02Å; I506-W539 HydrophobicContact CD1-CH2 4.28Å; I506-W539 HydrophobicContact CD1-CZ2 4.27Å; I506-A549 HydrophobicContact CD1-CB 4.24Å; I506-I558 HydrophobicContact CG1-CG2 4.48Å; I506-I558 HydrophobicContact CG2-CD1 3.58Å; I506-I558 HydrophobicContact CG2-CG1 4.22Å; I506-I558 HydrophobicContact CG2-CG2 4.31Å; I506-F560 HydrophobicContact CD1-CE1 3.65Å; I506-F560 HydrophobicContact CD1-CZ 3.84Å
507	Q	86.9	Confident	89	Confident	130 Å²	130	39.2 Å²	39.2	61%	0.607	21%	0.206	S	C	*	.	T	Hydrogen-bonded Turn	trans	51.5	35.3	-178.7	-63.6	174.5	-16	0	0	112.9	H509 E551	Q507-H509 VanDerWaalsContact C-N 3.25Å; Q507-H509 PolarHBondContact O-CE1 2.89Å; Q507-H509 PolarHBondContact O-N 3.04Å; Q507-H509 PolarHBondContact O-ND1 2.92Å; Q507-E551 WeakPolarHBondContact CA-OE2 3.3Å; Q507-E551 PolarHBondContact N-OE2 3.2Å
508	G	84.1	Confident	89.6	Confident	39 Å²	39	37.3 Å²	37.3	40%	0.402	20%	0.197	S	C	.	.	T	Hydrogen-bonded Turn	trans	73.4	5	-179.5	0	0	0	0	0	116	I506	I506-G508 PolarHBondContact O-N 3.47Å; I506-G508 VanDerWaalsContact O-N 3.08Å
509	H	89.1	Confident	90.6	Very high	72 Å²	72	31.3 Å²	31.3	33%	0.333	17%	0.165	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-106.1	139.8	176.9	-61	74.3	0	0	0	110.2	V505 I506 Q507 H511	V505-H509 WeakPolarHBondContact CA-O 3.46Å; I506-H509 PolarHBondContact N-O 3.25Å; I506-H509 VanDerWaalsContact N-O 3.09Å; I506-H509 PolarHBondContact O-N 2.82Å; Q507-H509 VanDerWaalsContact C-N 3.25Å; Q507-H509 PolarHBondContact O-CE1 2.89Å; Q507-H509 PolarHBondContact O-N 3.04Å; Q507-H509 PolarHBondContact O-ND1 2.92Å; H509-H511 PolarHBondContact O-CE1 2.98Å; H509-H511 PolarHBondContact O-N 3.32Å; H509-H511 PolarHBondContact O-ND1 2.7Å
510	L	92.1	Very high	91	Very high	4 Å²	4	28.6 Å²	28.6	2%	0.021	15%	0.153	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-71.6	129.2	169.5	-89	163.7	0	0	0	108.9	I503 V505 F512 K520 V521 F644	I503-L510 HydrophobicContact CG2-CD2 3.96Å; V505-L510 HydrophobicContact CG2-CD2 3.82Å; V505-L510 HydrophobicContact CG2-CG 4.25Å; L510-F512 HydrophobicContact CB-CE2 4.03Å; L510-K520 CarbonylContact O-C 3.56Å; L510-K520 WeakPolarHBondContact O-CA 3.32Å; L510-V521 HydrophobicContact CB-CB 4.15Å; L510-V521 PolarHBondContact N-O 2.69Å; L510-V521 VanDerWaalsContact N-O 3.16Å; L510-V521 PolarHBondContact O-N 3.29Å; L510-F644 HydrophobicContact CD2-CD2 4.07Å; L510-F644 HydrophobicContact CD2-CE2 3.54Å; L510-F644 HydrophobicContact CD2-CZ 3.99Å
511	H	93.8	Very high	91	Very high	1 Å²	1	28.9 Å²	28.9	1%	0.005	16%	0.156	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-115.1	132	176.3	-68.5	65.5	0	0	0	108.8	I503 T504 I506 H509 F513 F518 W519 K520	I503-H511 WeakPolarHBondContact CA-O 3.35Å; T504-H511 PolarHBondContact N-O 3.24Å; T504-H511 VanDerWaalsContact N-O 3.08Å; T504-H511 PolarHBondContact O-N 3.41Å; I506-H511 PolarHBondContact O-CE1 3.43Å; I506-H511 VanDerWaalsContact O-CE1 3.23Å; H509-H511 PolarHBondContact O-CE1 2.98Å; H509-H511 PolarHBondContact O-N 3.32Å; H509-H511 PolarHBondContact O-ND1 2.7Å; H511-F513 HydrophobicContact CB-CD2 4.04Å; H511-F513 HydrophobicContact CB-CE2 3.36Å; H511-F513 HydrophobicContact CB-CZ 3.98Å; H511-F518 AromaticContact CD2-CD2 3.8Å; H511-W519 WeakPolarHBondContact CA-O 3.35Å; H511-K520 WeakPolarHBondContact NE2-CE 3.4Å; H511-K520 WeakPolarHBondContact NE2-CG 3.41Å
512	F	93.8	Very high	90.3	Very high	0 Å²	0	28.6 Å²	28.6	0%	0	16%	0.156	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-114	114	174.7	-65	-100.3	0	0	0	107	F500 I503 L510 F518 W519 V521 V673 L677 L678	F500-F512 HydrophobicContact CD1-CB 3.76Å; F500-F512 HydrophobicContact CD1-CD1 4.36Å; F500-F512 AromaticContact CD2-CD1 3.84Å; F500-F512 HydrophobicContact CD2-CD1 3.84Å; F500-F512 HydrophobicContact CE1-CB 3.81Å; F500-F512 HydrophobicContact CE1-CD1 4.37Å; F500-F512 HydrophobicContact CE1-CG 4.49Å; F500-F512 AromaticContact CE2-CD1 3.85Å; F500-F512 HydrophobicContact CE2-CD1 3.85Å; F500-F512 HydrophobicContact CG-CB 4.24Å; F500-F512 HydrophobicContact CG-CD1 4.12Å; F500-F512 HydrophobicContact CZ-CB 4.33Å; F500-F512 HydrophobicContact CZ-CD1 4.14Å; I503-F512 HydrophobicContact CD1-CD1 3.91Å; I503-F512 HydrophobicContact CD1-CE1 3.8Å; I503-F512 HydrophobicContact CG1-CD1 3.73Å; I503-F512 HydrophobicContact CG1-CE1 4.03Å; I503-F512 HydrophobicContact CG2-CD1 4.23Å; I503-F512 HydrophobicContact CG2-CE1 4.03Å; I503-F512 HydrophobicContact CG2-CZ 4.31Å; L510-F512 HydrophobicContact CB-CE2 4.03Å; F512-F518 CarbonylContact O-C 3.59Å; F512-F518 WeakPolarHBondContact O-CA 3.47Å; F512-F518 VanDerWaalsContact O-CB 3.3Å; F512-F518 WeakPolarHBondContact O-CB 3.39Å; F512-W519 HydrophobicContact CB-CE3 4.35Å; F512-W519 PolarHBondContact N-O 3.47Å; F512-W519 PolarHBondContact O-N 3.01Å; F512-V521 HydrophobicContact CD2-CG2 4.12Å; F512-V521 HydrophobicContact CE2-CB 4.28Å; F512-V521 HydrophobicContact CE2-CG2 3.62Å; F512-V673 HydrophobicContact CE1-CG1 3.78Å; F512-L677 HydrophobicContact CE1-CB 4.36Å; F512-L677 HydrophobicContact CZ-CB 3.81Å; F512-L678 HydrophobicContact CD1-CD1 4.17Å; F512-L678 HydrophobicContact CD2-CD1 3.8Å; F512-L678 HydrophobicContact CE1-CB 4.25Å; F512-L678 HydrophobicContact CE1-CD1 4.25Å; F512-L678 HydrophobicContact CE2-CD1 3.9Å; F512-L678 HydrophobicContact CG-CD1 3.95Å; F512-L678 HydrophobicContact CZ-CB 4.15Å; F512-L678 HydrophobicContact CZ-CD1 4.12Å
513	F	93.6	Very high	88.9	Confident	0 Å²	0	31 Å²	31	0%	0	17%	0.173	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-99.3	135.9	-178.1	-68.7	-93.5	0	0	0	110.3	F500 D501 T502 T504 I506 H511 Q517 F518 I535 W539 I546 F560	F500-F513 WeakPolarHBondContact CB-O 3.44Å; D501-F513 PolarHBondContact N-O 3.15Å; T502-F513 HydrophobicContact CG2-CB 3.95Å; T502-F513 HydrophobicContact CG2-CD2 3.75Å; T502-F513 HydrophobicContact CG2-CG 4.09Å; T502-F513 PolarHBondContact O-N 3.23Å; T504-F513 HydrophobicContact CG2-CD2 4.29Å; T504-F513 HydrophobicContact CG2-CE2 3.73Å; I506-F513 HydrophobicContact CD1-CE2 4.26Å; I506-F513 HydrophobicContact CD1-CZ 4.02Å; H511-F513 HydrophobicContact CB-CD2 4.04Å; H511-F513 HydrophobicContact CB-CE2 3.36Å; H511-F513 HydrophobicContact CB-CZ 3.98Å; F513-Q517 WeakPolarHBondContact CA-O 3.43Å; F513-F518 HydrophobicContact CD1-CB 3.6Å; F513-F518 HydrophobicContact CD1-CD1 4.46Å; F513-F518 HydrophobicContact CD1-CG 4.28Å; F513-F518 HydrophobicContact CE1-CB 3.8Å; F513-F518 HydrophobicContact CE1-CD1 4.07Å; F513-F518 AromaticContact CE1-CG 4Å; F513-F518 HydrophobicContact CE1-CG 4Å; F513-F518 HydrophobicContact CG-CB 4.05Å; F513-F518 HydrophobicContact CZ-CB 4.4Å; F513-I535 HydrophobicContact CD1-CD1 3.6Å; F513-I535 HydrophobicContact CD1-CG1 3.84Å; F513-I535 HydrophobicContact CE1-CD1 4.26Å; F513-I535 HydrophobicContact CE1-CG1 4.09Å; F513-W539 HydrophobicContact CE1-CE3 4.27Å; F513-W539 HydrophobicContact CE1-CH2 4.39Å; F513-W539 AromaticContact CE1-CZ3 3.66Å; F513-W539 HydrophobicContact CE1-CZ3 3.66Å; F513-W539 HydrophobicContact CZ-CH2 4.1Å; F513-W539 AromaticContact CZ-CZ3 3.83Å; F513-W539 HydrophobicContact CZ-CZ3 3.83Å; F513-I546 HydrophobicContact CB-CG1 4.29Å; F513-I546 HydrophobicContact CD1-CD1 3.74Å; F513-I546 HydrophobicContact CD1-CG1 4.03Å; F513-I546 HydrophobicContact CD2-CD1 3.91Å; F513-I546 HydrophobicContact CD2-CG1 4.46Å; F513-I546 HydrophobicContact CE1-CD1 3.73Å; F513-I546 HydrophobicContact CE1-CG1 4.48Å; F513-I546 HydrophobicContact CE2-CD1 3.89Å; F513-I546 HydrophobicContact CG-CD1 3.83Å; F513-I546 HydrophobicContact CG-CG1 4.02Å; F513-I546 HydrophobicContact CZ-CD1 3.8Å; F513-F560 HydrophobicContact CZ-CE1 4.49Å
514	K	90.9	Very high	87.3	Confident	46 Å²	46	39.5 Å²	39.5	20%	0.2	21%	0.21	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-154.3	124.3	173	-168.3	49.8	178.3	143.1	0	111.6	M497 F500 D501 G516 Q517 W519	M497-K514 HydrophobicContact CE-CB 4.38Å; M497-K514 HydrophobicContact CE-CG 4.11Å; M497-K514 HydrophobicContact SD-CB 4Å; M497-K514 HydrophobicContact SD-CG 3.81Å; F500-K514 HydrophobicContact CD1-CB 4.12Å; D501-K514 WeakPolarHBondContact OD1-CD 3.48Å; D501-K514 IonicContact OD1-NZ 3.66Å; D501-K514 PolarHBondContact OD1-NZ 3.06Å; D501-K514 VanDerWaalsContact OD2-CA 3.22Å; D501-K514 WeakPolarHBondContact OD2-CA 3.5Å; K514-G516 PolarHBondContact O-N 2.94Å; K514-Q517 PolarHBondContact N-O 3.24Å; K514-Q517 WeakPolarHBondContact O-CA 3.42Å; K514-Q517 WeakPolarHBondContact O-CB 3.41Å; K514-Q517 PolarHBondContact O-N 3.09Å; K514-W519 HydrophobicContact CB-CH2 4.21Å; K514-W519 HydrophobicContact CB-CZ3 3.78Å
515	D	85.3	Confident	85.4	Confident	102 Å²	102	45.8 Å²	45.8	55%	0.545	25%	0.248	S	C	.	.	T	Hydrogen-bonded Turn	trans	48.3	54.5	166.7	-52.2	-34.5	0	0	0	113.1	D501 Q517	D501-D515 PolarHBondContact OD2-N 3.04Å; D515-Q517 PolarHBondContact O-N 2.96Å
516	G	86	Confident	83.3	Confident	17 Å²	17	52 Å²	52	18%	0.175	28%	0.281	C	S	.	.	T	Hydrogen-bonded Turn	trans	79.2	0.6	179.6	0	0	0	0	0	115	K514 I535 A544	K514-G516 PolarHBondContact O-N 2.94Å; G516-I535 WeakPolarHBondContact O-CB 3.22Å; G516-I535 WeakPolarHBondContact O-CG1 3.42Å; G516-I535 PolarHBondContact O-N 2.83Å; G516-A544 VanDerWaalsContact CA-O 3.3Å; G516-A544 WeakPolarHBondContact CA-O 3.26Å; G516-A544 PolarHBondContact N-O 3.1Å
517	Q	92	Very high	81.6	Confident	50 Å²	50	53.6 Å²	53.6	23%	0.234	30%	0.297	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-123.2	162.1	-179.1	-59.8	177	23.5	0	0	111.9	F513 K514 D515 W519 P532 F533	F513-Q517 WeakPolarHBondContact CA-O 3.43Å; K514-Q517 PolarHBondContact N-O 3.24Å; K514-Q517 WeakPolarHBondContact O-CA 3.42Å; K514-Q517 WeakPolarHBondContact O-CB 3.41Å; K514-Q517 PolarHBondContact O-N 3.09Å; D515-Q517 PolarHBondContact O-N 2.96Å; Q517-W519 HydrophobicContact CB-CH2 4.29Å; Q517-P532 HydrophobicContact CB-CB 4.3Å; Q517-P532 VanDerWaalsContact OE1-CB 3.22Å; Q517-F533 CarbonylContact C-O 3.57Å; Q517-F533 WeakPolarHBondContact CA-O 3.43Å
518	F	93.3	Very high	80.8	Confident	0 Å²	0	50 Å²	50	0%	0	30%	0.295	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-147.5	157.2	170.6	70.6	-89	0	0	0	114.1	H511 F512 F513 K520 F533 I535 S538 W539	H511-F518 AromaticContact CD2-CD2 3.8Å; F512-F518 CarbonylContact O-C 3.59Å; F512-F518 WeakPolarHBondContact O-CA 3.47Å; F512-F518 VanDerWaalsContact O-CB 3.3Å; F512-F518 WeakPolarHBondContact O-CB 3.39Å; F513-F518 HydrophobicContact CD1-CB 3.6Å; F513-F518 HydrophobicContact CD1-CD1 4.46Å; F513-F518 HydrophobicContact CD1-CG 4.28Å; F513-F518 HydrophobicContact CE1-CB 3.8Å; F513-F518 HydrophobicContact CE1-CD1 4.07Å; F513-F518 AromaticContact CE1-CG 4Å; F513-F518 HydrophobicContact CE1-CG 4Å; F513-F518 HydrophobicContact CG-CB 4.05Å; F513-F518 HydrophobicContact CZ-CB 4.4Å; F518-K520 HydrophobicContact CD2-CD 4.45Å; F518-K520 HydrophobicContact CD2-CG 4.03Å; F518-K520 HydrophobicContact CE2-CD 3.7Å; F518-K520 HydrophobicContact CE2-CG 3.78Å; F518-F533 HydrophobicContact CD1-CB 4.03Å; F518-F533 HydrophobicContact CD2-CB 4.16Å; F518-F533 HydrophobicContact CD2-CD2 4.1Å; F518-F533 HydrophobicContact CE1-CB 3.51Å; F518-F533 HydrophobicContact CE2-CB 3.59Å; F518-F533 AromaticContact CE2-CD2 3.53Å; F518-F533 HydrophobicContact CE2-CD2 3.53Å; F518-F533 AromaticContact CE2-CG 3.86Å; F518-F533 HydrophobicContact CE2-CG 3.86Å; F518-F533 HydrophobicContact CG-CB 4.34Å; F518-F533 HydrophobicContact CZ-CB 3.28Å; F518-F533 HydrophobicContact CZ-CD2 4.05Å; F518-F533 AromaticContact CZ-CG 3.88Å; F518-F533 HydrophobicContact CZ-CG 3.88Å; F518-F533 PolarHBondContact N-O 2.74Å; F518-F533 PolarHBondContact O-N 3.43Å; F518-I535 HydrophobicContact CD1-CG1 3.91Å; F518-S538 WeakPolarHBondContact CE1-OG 3.33Å; F518-S538 WeakPolarHBondContact CZ-OG 3.01Å; F518-W539 AromaticContact CD1-CZ3 3.75Å; F518-W539 HydrophobicContact CD1-CZ3 3.75Å; F518-W539 HydrophobicContact CE1-CE3 4.1Å; F518-W539 HydrophobicContact CE1-CH2 4.18Å; F518-W539 AromaticContact CE1-CZ3 3.4Å; F518-W539 HydrophobicContact CE1-CZ3 3.4Å; F518-W539 HydrophobicContact CE2-CH2 4.46Å; F518-W539 HydrophobicContact CE2-CZ3 4.39Å; F518-W539 HydrophobicContact CG-CZ3 4.34Å; F518-W539 HydrophobicContact CZ-CH2 4.06Å; F518-W539 AromaticContact CZ-CZ3 3.75Å; F518-W539 HydrophobicContact CZ-CZ3 3.75Å
519	W	92.9	Very high	80.8	Confident	3 Å²	3	52.3 Å²	52.3	1%	0.011	29%	0.291	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-117.5	141.8	171.9	-59.3	-94.3	0	0	0	110.6	P494 M497 F500 H511 F512 K514 Q517 R529 K530 P532	P494-W519 HydrophobicContact CB-CD2 3.73Å; P494-W519 HydrophobicContact CB-CE3 3.99Å; P494-W519 HydrophobicContact CB-CG 4.27Å; P494-W519 HydrophobicContact CB-CH2 4.33Å; P494-W519 HydrophobicContact CB-CZ2 4Å; P494-W519 HydrophobicContact CB-CZ3 4.3Å; P494-W519 HydrophobicContact CG-CD2 3.86Å; P494-W519 HydrophobicContact CG-CG 3.98Å; P494-W519 HydrophobicContact CG-CZ2 4.24Å; M497-W519 HydrophobicContact CE-CH2 3.28Å; M497-W519 HydrophobicContact CE-CZ2 3.84Å; M497-W519 HydrophobicContact CE-CZ3 4.02Å; M497-W519 HydrophobicContact SD-CH2 3.83Å; M497-W519 HydrophobicContact SD-CZ3 3.95Å; F500-W519 HydrophobicContact CD1-CZ3 4.48Å; F500-W519 HydrophobicContact CE1-CE3 4.02Å; F500-W519 HydrophobicContact CE1-CZ3 4.01Å; H511-W519 WeakPolarHBondContact CA-O 3.35Å; F512-W519 HydrophobicContact CB-CE3 4.35Å; F512-W519 PolarHBondContact N-O 3.47Å; F512-W519 PolarHBondContact O-N 3.01Å; K514-W519 HydrophobicContact CB-CH2 4.21Å; K514-W519 HydrophobicContact CB-CZ3 3.78Å; Q517-W519 HydrophobicContact CB-CH2 4.29Å; W519-R529 HydrophobicContact CB-CG 4.14Å; W519-K530 CarbonylContact C-O 3.5Å; W519-K530 WeakPolarHBondContact CA-O 2.84Å; W519-P532 HydrophobicContact CZ2-CB 3.83Å
520	K	91.1	Very high	80.6	Confident	53 Å²	53	54.5 Å²	54.5	23%	0.23	30%	0.3	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-106.8	128.2	176.9	-76.4	167.1	171.4	156.3	0	109.8	L510 H511 F518 K530 F533	L510-K520 CarbonylContact O-C 3.56Å; L510-K520 WeakPolarHBondContact O-CA 3.32Å; H511-K520 WeakPolarHBondContact NE2-CE 3.4Å; H511-K520 WeakPolarHBondContact NE2-CG 3.41Å; F518-K520 HydrophobicContact CD2-CD 4.45Å; F518-K520 HydrophobicContact CD2-CG 4.03Å; F518-K520 HydrophobicContact CE2-CD 3.7Å; F518-K520 HydrophobicContact CE2-CG 3.78Å; K520-K530 PolarHBondContact N-O 3.48Å; K520-K530 PolarHBondContact O-N 2.81Å; K520-F533 HydrophobicContact CB-CE2 4.48Å; K520-F533 HydrophobicContact CD-CD2 4.39Å; K520-F533 HydrophobicContact CD-CE2 4.17Å
521	V	87.9	Confident	80.3	Confident	17 Å²	17	56.2 Å²	56.2	10%	0.103	32%	0.319	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-108.6	112.6	170.2	-178.6	0	0	0	0	108.8	L510 F512 R529 L678	L510-V521 HydrophobicContact CB-CB 4.15Å; L510-V521 PolarHBondContact N-O 2.69Å; L510-V521 VanDerWaalsContact N-O 3.16Å; L510-V521 PolarHBondContact O-N 3.29Å; F512-V521 HydrophobicContact CD2-CG2 4.12Å; F512-V521 HydrophobicContact CE2-CB 4.28Å; F512-V521 HydrophobicContact CE2-CG2 3.62Å; V521-R529 HydrophobicContact CG2-CG 4.36Å; V521-L678 HydrophobicContact CG2-CD1 4.27Å
522	P	77.6	Confident	80	Confident	28 Å²	28	59 Å²	59	18%	0.182	34%	0.337	C	S	.	.			trans	-61.8	149.2	178.4	-22.2	33.6	0	0	0	113.6	G528	P522-G528 WeakPolarHBondContact CD-O 3.34Å
523	S	64.6	Low	79.9	Confident	52 Å²	52	62.8 Å²	62.8	36%	0.364	35%	0.353	S	S	.	.	S	Bend	trans	-71.8	-28.5	179.5	-167.6	0	0	0	0	113.2	K647	S523-K647 VanDerWaalsContact O-CE 3.26Å; S523-K647 WeakPolarHBondContact O-CE 3.22Å; S523-K647 PolarHBondContact O-NZ 2.58Å; S523-K647 VanDerWaalsContact OG-CE 3.31Å; S523-K647 WeakPolarHBondContact OG-CE 3.48Å
524	K	60.4	Low	79.7	Confident	182 Å²	182	64.1 Å²	64.1	79%	0.791	36%	0.363	S	S	*	.	S	Bend	trans	-87.9	141.7	177.4	-66.6	-174.5	179	-178.3	0	111.3	D526	K524-D526 VanDerWaalsContact C-N 3.27Å; K524-D526 PolarHBondContact O-N 3.01Å; K524-D526 VanDerWaalsContact O-N 3.14Å
525	T	53.5	Low	79.8	Confident	137 Å²	137	62 Å²	62	84%	0.84	35%	0.354	S	S	*	.	T	Hydrogen-bonded Turn	trans	-63.9	-16	-166	36	0	0	0	0	116.5
526	D	49.1	Very low	79.9	Confident	159 Å²	159	60.8 Å²	60.8	85%	0.85	35%	0.353	S	S	*	.	T	Hydrogen-bonded Turn	trans	-103.5	5.3	-172.5	-67.3	-17.6	0	0	0	114.9	K524	K524-D526 VanDerWaalsContact C-N 3.27Å; K524-D526 PolarHBondContact O-N 3.01Å; K524-D526 VanDerWaalsContact O-N 3.14Å
527	G	55.8	Low	80.1	Confident	34 Å²	34	67.7 Å²	67.7	35%	0.351	38%	0.38	S	S	.	.	S	Bend	trans	-87.4	-14.3	-167.2	0	0	0	0	0	117.4
528	G	69.1	Low	80	Confident	53 Å²	53	67.6 Å²	67.6	55%	0.546	39%	0.386	S	S	.	.			trans	58.8	165.9	-170.7	0	0	0	0	0	114.2	P522	P522-G528 WeakPolarHBondContact CD-O 3.34Å
529	R	84.8	Confident	80	Confident	88 Å²	88	68.7 Å²	68.7	33%	0.332	39%	0.39	S	S	.	.			trans	-71.9	135.8	169.8	176.8	-178.3	67.8	-157.6	11.1	109.5	D493 C495 W519 V521 L678	D493-R529 IonicContact OD1-NH2 3.59Å; D493-R529 PolarHBondContact OD1-NH2 2.88Å; C495-R529 PolarHBondContact SG-NH1 3.45Å; W519-R529 HydrophobicContact CB-CG 4.14Å; V521-R529 HydrophobicContact CG2-CG 4.36Å; R529-L678 HydrophobicContact CG-CD1 4.48Å
530	K	85.6	Confident	79.9	Confident	119 Å²	119	73.5 Å²	73.5	52%	0.517	42%	0.421	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-116.2	142.8	176.4	-61.4	-173.9	178.7	-174.5	0	111.3	W519 K520 F533	W519-K530 CarbonylContact C-O 3.5Å; W519-K530 WeakPolarHBondContact CA-O 2.84Å; K520-K530 PolarHBondContact N-O 3.48Å; K520-K530 PolarHBondContact O-N 2.81Å; K530-F533 VanDerWaalsContact C-CE2 3.5Å; K530-F533 HydrophobicContact CB-CE2 3.88Å; K530-F533 HydrophobicContact CB-CZ 4.02Å
531	G	85.1	Confident	79.8	Confident	40 Å²	40	72.9 Å²	72.9	41%	0.412	43%	0.426	S	S	.	.	E	Extended strand (participates in β ladder)	trans	128.6	-175	-178.1	0	0	0	0	0	112.3
532	P	88.7	Confident	80.1	Confident	59 Å²	59	72.8 Å²	72.8	38%	0.383	43%	0.425	S	S	.	.	E	Extended strand (participates in β ladder)	cis	-70.6	142.8	4.3	28.2	-33.6	0	0	0	112.6	Q517 W519	Q517-P532 HydrophobicContact CB-CB 4.3Å; Q517-P532 VanDerWaalsContact OE1-CB 3.22Å; W519-P532 HydrophobicContact CZ2-CB 3.83Å
533	F	91	Very high	80.8	Confident	80 Å²	80	73.5 Å²	73.5	35%	0.351	43%	0.429	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-111.1	148.6	169.1	-61.2	-74.9	0	0	0	109.2	Q517 F518 K520 K530	Q517-F533 CarbonylContact C-O 3.57Å; Q517-F533 WeakPolarHBondContact CA-O 3.43Å; F518-F533 HydrophobicContact CD1-CB 4.03Å; F518-F533 HydrophobicContact CD2-CB 4.16Å; F518-F533 HydrophobicContact CD2-CD2 4.1Å; F518-F533 HydrophobicContact CE1-CB 3.51Å; F518-F533 HydrophobicContact CE2-CB 3.59Å; F518-F533 AromaticContact CE2-CD2 3.53Å; F518-F533 HydrophobicContact CE2-CD2 3.53Å; F518-F533 AromaticContact CE2-CG 3.86Å; F518-F533 HydrophobicContact CE2-CG 3.86Å; F518-F533 HydrophobicContact CG-CB 4.34Å; F518-F533 HydrophobicContact CZ-CB 3.28Å; F518-F533 HydrophobicContact CZ-CD2 4.05Å; F518-F533 AromaticContact CZ-CG 3.88Å; F518-F533 HydrophobicContact CZ-CG 3.88Å; F518-F533 PolarHBondContact N-O 2.74Å; F518-F533 PolarHBondContact O-N 3.43Å; K520-F533 HydrophobicContact CB-CE2 4.48Å; K520-F533 HydrophobicContact CD-CD2 4.39Å; K520-F533 HydrophobicContact CD-CE2 4.17Å; K530-F533 VanDerWaalsContact C-CE2 3.5Å; K530-F533 HydrophobicContact CB-CE2 3.88Å; K530-F533 HydrophobicContact CB-CZ 4.02Å
534	S	90	Very high	81.9	Confident	28 Å²	28	73.7 Å²	73.7	20%	0.196	44%	0.435	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-79.8	133.4	174.8	164.5	0	0	0	0	111.3	S536 Q537 S538	S534-S536 PolarHBondContact OG-N 2.92Å; S534-S536 PolarHBondContact OG-OG 2.92Å; S534-Q537 PolarHBondContact OG-N 3.08Å; S534-S538 PolarHBondContact O-N 2.82Å; S534-S538 PolarHBondContact O-OG 2.92Å; S534-S538 VanDerWaalsContact O-OG 3.1Å
535	I	91.8	Very high	83.4	Confident	2 Å²	2	68 Å²	68	1%	0.01	42%	0.415	C	S	.	.	H	α-helix	trans	-63.2	-48.7	171.8	-64	173.3	0	0	0	109.4	F513 G516 F518 Q537 S538 W539 L542 A544	F513-I535 HydrophobicContact CD1-CD1 3.6Å; F513-I535 HydrophobicContact CD1-CG1 3.84Å; F513-I535 HydrophobicContact CE1-CD1 4.26Å; F513-I535 HydrophobicContact CE1-CG1 4.09Å; G516-I535 WeakPolarHBondContact O-CB 3.22Å; G516-I535 WeakPolarHBondContact O-CG1 3.42Å; G516-I535 PolarHBondContact O-N 2.83Å; F518-I535 HydrophobicContact CD1-CG1 3.91Å; I535-Q537 PolarHBondContact O-N 2.78Å; I535-S538 PolarHBondContact O-N 3.23Å; I535-W539 HydrophobicContact CG2-CE3 4.42Å; I535-W539 CarbonylContact O-C 3.59Å; I535-W539 WeakPolarHBondContact O-CA 3.47Å; I535-W539 PolarHBondContact O-N 2.95Å; I535-L542 HydrophobicContact CG2-CB 3.99Å; I535-L542 HydrophobicContact CG2-CD1 4.44Å; I535-A544 VanDerWaalsContact CD1-O 3.26Å; I535-A544 WeakPolarHBondContact CD1-O 3.35Å
536	S	88.7	Confident	85.4	Confident	76 Å²	76	61.5 Å²	61.5	53%	0.531	38%	0.375	S	S	.	.	H	α-helix	trans	-63.8	-27.5	-177.8	59.5	0	0	0	0	113.4	S534 P540	S534-S536 PolarHBondContact OG-N 2.92Å; S534-S536 PolarHBondContact OG-OG 2.92Å; S536-P540 WeakPolarHBondContact O-CA 3.33Å; S536-P540 WeakPolarHBondContact O-CG 3.35Å
537	Q	88.7	Confident	87.6	Confident	161 Å²	161	55.1 Å²	55.1	75%	0.752	34%	0.341	S	S	*	.	H	α-helix	trans	-76.2	-35.1	172.5	-69.9	179.2	-11.7	0	0	113	S534 I535	S534-Q537 PolarHBondContact OG-N 3.08Å; I535-Q537 PolarHBondContact O-N 2.78Å
538	S	90.5	Very high	89.5	Confident	49 Å²	49	53.7 Å²	53.7	34%	0.343	33%	0.325	S	S	.	.	H	α-helix	trans	-85.5	-34	-177.5	-59.2	0	0	0	0	112.6	F518 S534 I535	F518-S538 WeakPolarHBondContact CE1-OG 3.33Å; F518-S538 WeakPolarHBondContact CZ-OG 3.01Å; S534-S538 PolarHBondContact O-N 2.82Å; S534-S538 PolarHBondContact O-OG 2.92Å; S534-S538 VanDerWaalsContact O-OG 3.1Å; I535-S538 PolarHBondContact O-N 3.23Å
539	W	93.6	Very high	90.8	Very high	23 Å²	23	51.2 Å²	51.2	9%	0.087	30%	0.3	C	S	.	.			trans	-143.6	79.5	-175.5	-61.6	-70.9	0	0	0	109.5	I506 F513 F518 I535 A541 L542 F560 Y569	I506-W539 HydrophobicContact CD1-CH2 4.28Å; I506-W539 HydrophobicContact CD1-CZ2 4.27Å; F513-W539 HydrophobicContact CE1-CE3 4.27Å; F513-W539 HydrophobicContact CE1-CH2 4.39Å; F513-W539 AromaticContact CE1-CZ3 3.66Å; F513-W539 HydrophobicContact CE1-CZ3 3.66Å; F513-W539 HydrophobicContact CZ-CH2 4.1Å; F513-W539 AromaticContact CZ-CZ3 3.83Å; F513-W539 HydrophobicContact CZ-CZ3 3.83Å; F518-W539 AromaticContact CD1-CZ3 3.75Å; F518-W539 HydrophobicContact CD1-CZ3 3.75Å; F518-W539 HydrophobicContact CE1-CE3 4.1Å; F518-W539 HydrophobicContact CE1-CH2 4.18Å; F518-W539 AromaticContact CE1-CZ3 3.4Å; F518-W539 HydrophobicContact CE1-CZ3 3.4Å; F518-W539 HydrophobicContact CE2-CH2 4.46Å; F518-W539 HydrophobicContact CE2-CZ3 4.39Å; F518-W539 HydrophobicContact CG-CZ3 4.34Å; F518-W539 HydrophobicContact CZ-CH2 4.06Å; F518-W539 AromaticContact CZ-CZ3 3.75Å; F518-W539 HydrophobicContact CZ-CZ3 3.75Å; I535-W539 HydrophobicContact CG2-CE3 4.42Å; I535-W539 CarbonylContact O-C 3.59Å; I535-W539 WeakPolarHBondContact O-CA 3.47Å; I535-W539 PolarHBondContact O-N 2.95Å; W539-A541 PolarHBondContact O-N 2.72Å; W539-A541 VanDerWaalsContact O-N 3.09Å; W539-L542 HydrophobicContact CB-CB 4.19Å; W539-L542 HydrophobicContact CB-CD1 3.41Å; W539-L542 VanDerWaalsContact CB-CD1 3.41Å; W539-L542 HydrophobicContact CB-CG 3.69Å; W539-L542 HydrophobicContact CD2-CD1 4.2Å; W539-L542 HydrophobicContact CE3-CD1 4.47Å; W539-L542 HydrophobicContact CG-CD1 3.75Å; W539-L542 HydrophobicContact CG-CG 4.47Å; W539-L542 PolarHBondContact O-N 2.96Å; W539-F560 AromaticContact CD1-CE2 3.91Å; W539-F560 AromaticContact CD1-CZ 3.92Å; W539-F560 HydrophobicContact CD2-CE1 4.43Å; W539-F560 AromaticContact CD2-CZ 3.9Å; W539-F560 HydrophobicContact CD2-CZ 3.9Å; W539-F560 AromaticContact CE2-CZ 3.54Å; W539-F560 HydrophobicContact CG-CE2 4.4Å; W539-F560 HydrophobicContact CG-CZ 4.14Å; W539-F560 AromaticContact CZ2-CZ 3.94Å; W539-F560 HydrophobicContact CZ2-CZ 3.94Å; W539-F560 AromaticContact NE1-CE2 3.83Å; W539-F560 AromaticContact NE1-CZ 3.55Å; W539-Y569 HydrophobicContact CB-CE1 4.28Å; W539-Y569 HydrophobicContact CB-CE2 4.4Å; W539-Y569 AromaticContact CD1-CD1 3.9Å; W539-Y569 AromaticContact CD1-CE1 3.78Å; W539-Y569 AromaticContact CD1-CZ 3.93Å; W539-Y569 HydrophobicContact CG-CE1 4.46Å
540	P	90.4	Very high	91.3	Very high	103 Å²	103	47.5 Å²	47.5	67%	0.669	29%	0.286	S	S	*	.	T	Hydrogen-bonded Turn	trans	-60.2	-24.8	-170	-25.3	33.8	0	0	0	115.9	S536	S536-P540 WeakPolarHBondContact O-CA 3.33Å; S536-P540 WeakPolarHBondContact O-CG 3.35Å
541	A	89.1	Confident	91.6	Very high	41 Å²	41	43.6 Å²	43.6	34%	0.339	27%	0.27	S	S	.	.	T	Hydrogen-bonded Turn	trans	-90.2	-1.7	-179.7	0	0	0	0	0	113.9	W539 W567 Y569 V574	W539-A541 PolarHBondContact O-N 2.72Å; W539-A541 VanDerWaalsContact O-N 3.09Å; A541-W567 PolarHBondContact O-NE1 2.92Å; A541-Y569 WeakPolarHBondContact CB-OH 3.47Å; A541-Y569 PolarHBondContact N-OH 3.46Å; A541-Y569 VanDerWaalsContact N-OH 3.15Å; A541-V574 HydrophobicContact CB-CB 4.47Å; A541-V574 HydrophobicContact CB-CG1 3.8Å; A541-V574 HydrophobicContact CB-CG2 4.11Å
542	L	94.1	Very high	91.9	Very high	14 Å²	14	42 Å²	42	7%	0.073	25%	0.252	C	S	.	.	S	Bend	trans	-86.2	145.7	177.4	-66.1	-177.2	0	0	0	111.5	I535 W539 I546 F560 W567 Y569	I535-L542 HydrophobicContact CG2-CB 3.99Å; I535-L542 HydrophobicContact CG2-CD1 4.44Å; W539-L542 HydrophobicContact CB-CB 4.19Å; W539-L542 HydrophobicContact CB-CD1 3.41Å; W539-L542 VanDerWaalsContact CB-CD1 3.41Å; W539-L542 HydrophobicContact CB-CG 3.69Å; W539-L542 HydrophobicContact CD2-CD1 4.2Å; W539-L542 HydrophobicContact CE3-CD1 4.47Å; W539-L542 HydrophobicContact CG-CD1 3.75Å; W539-L542 HydrophobicContact CG-CG 4.47Å; W539-L542 PolarHBondContact O-N 2.96Å; L542-I546 HydrophobicContact CD1-CG2 4.47Å; L542-F560 HydrophobicContact CD1-CB 4.15Å; L542-F560 HydrophobicContact CD1-CD1 3.47Å; L542-F560 VanDerWaalsContact CD1-CD1 3.47Å; L542-F560 HydrophobicContact CD1-CD2 3.85Å; L542-F560 HydrophobicContact CD1-CE1 3.68Å; L542-F560 HydrophobicContact CD1-CE2 4.02Å; L542-F560 HydrophobicContact CD1-CG 3.55Å; L542-F560 HydrophobicContact CD1-CZ 3.94Å; L542-F560 HydrophobicContact CD2-CB 3.59Å; L542-F560 HydrophobicContact CD2-CD1 4.48Å; L542-F560 HydrophobicContact CD2-CD2 4.15Å; L542-F560 HydrophobicContact CD2-CG 3.85Å; L542-F560 HydrophobicContact CG-CG 4.36Å; L542-W567 HydrophobicContact CD2-CB 3.84Å; L542-W567 HydrophobicContact CD2-CD2 3.7Å; L542-W567 HydrophobicContact CD2-CE3 3.87Å; L542-W567 HydrophobicContact CD2-CG 3.71Å; L542-Y569 HydrophobicContact CD1-CE2 4.34Å; L542-Y569 HydrophobicContact CD2-CE2 3.84Å; L542-Y569 HydrophobicContact CG-CE2 3.87Å
543	P	93.3	Very high	91.8	Very high	43 Å²	43	42.7 Å²	42.7	28%	0.279	25%	0.254	S	S	.	.			trans	-65.1	166.4	167.9	29.1	-34.4	0	0	0	111.4	V545 I546 S562 W567	P543-V545 WeakPolarHBondContact CG-O 3.09Å; P543-V545 PolarHBondContact O-N 3.15Å; P543-I546 HydrophobicContact CG-CG2 4.28Å; P543-S562 WeakPolarHBondContact CG-OG 3.41Å; P543-W567 HydrophobicContact CG-CH2 3.82Å; P543-W567 HydrophobicContact CG-CZ2 4.35Å; P543-W567 HydrophobicContact CG-CZ3 4.33Å
544	A	87.3	Confident	91.7	Very high	57 Å²	57	44 Å²	44	47%	0.471	26%	0.262	S	S	.	.	S	Bend	trans	-63.7	-27.4	178.3	0	0	0	0	0	113.1	G516 I535	G516-A544 VanDerWaalsContact CA-O 3.3Å; G516-A544 WeakPolarHBondContact CA-O 3.26Å; G516-A544 PolarHBondContact N-O 3.1Å; I535-A544 VanDerWaalsContact CD1-O 3.26Å; I535-A544 WeakPolarHBondContact CD1-O 3.35Å
545	V	91.9	Very high	91.6	Very high	63 Å²	63	46.1 Å²	46.1	38%	0.382	27%	0.274	S	S	.	.			trans	-119.8	128.9	-179.5	-179.3	0	0	0	0	108.9	D501 P543 S562	D501-V545 HydrophobicContact CB-CG1 3.98Å; P543-V545 WeakPolarHBondContact CG-O 3.09Å; P543-V545 PolarHBondContact O-N 3.15Å; V545-S562 WeakPolarHBondContact O-CB 3.27Å; V545-S562 PolarHBondContact O-OG 2.88Å
546	I	95.6	Very high	91.6	Very high	0 Å²	0	52 Å²	52	0%	0	30%	0.299	C	S	.	.			trans	-126	147.4	176	57.4	158.7	0	0	0	109.3	T502 F513 L542 P543 F560	T502-I546 WeakPolarHBondContact CB-O 2.95Å; T502-I546 HydrophobicContact CG2-CD1 3.88Å; T502-I546 HydrophobicContact CG2-CG1 3.67Å; T502-I546 WeakPolarHBondContact CG2-O 3.47Å; F513-I546 HydrophobicContact CB-CG1 4.29Å; F513-I546 HydrophobicContact CD1-CD1 3.74Å; F513-I546 HydrophobicContact CD1-CG1 4.03Å; F513-I546 HydrophobicContact CD2-CD1 3.91Å; F513-I546 HydrophobicContact CD2-CG1 4.46Å; F513-I546 HydrophobicContact CE1-CD1 3.73Å; F513-I546 HydrophobicContact CE1-CG1 4.48Å; F513-I546 HydrophobicContact CE2-CD1 3.89Å; F513-I546 HydrophobicContact CG-CD1 3.83Å; F513-I546 HydrophobicContact CG-CG1 4.02Å; F513-I546 HydrophobicContact CZ-CD1 3.8Å; L542-I546 HydrophobicContact CD1-CG2 4.47Å; P543-I546 HydrophobicContact CG-CG2 4.28Å; I546-F560 HydrophobicContact CD1-CD1 3.76Å; I546-F560 HydrophobicContact CD1-CE1 4.14Å
547	D	95	Very high	91.8	Very high	25 Å²	25	51.9 Å²	51.9	13%	0.134	29%	0.289	C	S	.	.	S	Bend	trans	-94.6	-32.5	-175	-65.9	-57.8	0	0	0	113.1	T502 F561 S562 G563 K591 V592	T502-D547 VanDerWaalsContact CB-O 3.27Å; T502-D547 WeakPolarHBondContact CB-O 3.28Å; T502-D547 PolarHBondContact OG1-O 3.3Å; D547-F561 PolarHBondContact N-O 3.41Å; D547-S562 VanDerWaalsContact OD2-CA 3.32Å; D547-S562 WeakPolarHBondContact OD2-CA 3.46Å; D547-G563 PolarHBondContact OD2-N 3.21Å; D547-K591 HydrophobicContact CB-CB 4.38Å; D547-K591 WeakPolarHBondContact OD2-CB 3.31Å; D547-V592 CarbonylContact C-O 3.44Å; D547-V592 WeakPolarHBondContact CB-O 3.4Å
548	S	96.2	Very high	92	Very high	3 Å²	3	44.9 Å²	44.9	2%	0.021	26%	0.256	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-165.5	168.1	173.2	67	0	0	0	0	111.7	F561 V592	S548-F561 PolarHBondContact N-O 3.3Å; S548-F561 PolarHBondContact O-N 3.47Å; S548-F561 WeakPolarHBondContact OG-CD2 3.13Å; S548-V592 WeakPolarHBondContact CB-O 3.35Å; S548-V592 PolarHBondContact OG-O 2.8Å
549	A	96	Very high	92.3	Very high	1 Å²	1	43 Å²	43	1%	0.008	24%	0.242	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-147.7	159.6	167.4	0	0	0	0	0	110.8	T504 I506 Y559 F560	T504-A549 HydrophobicContact CG2-CB 3.86Å; T504-A549 PolarHBondContact OG1-O 3.28Å; I506-A549 HydrophobicContact CD1-CB 4.24Å; A549-Y559 CarbonylContact C-O 3.53Å; A549-Y559 WeakPolarHBondContact CA-O 3.33Å; A549-Y559 VanDerWaalsContact CB-O 3.22Å; A549-Y559 WeakPolarHBondContact CB-O 3.35Å; A549-F560 HydrophobicContact CB-CD1 3.57Å; A549-F560 HydrophobicContact CB-CE1 3.88Å; A549-F560 HydrophobicContact CB-CG 4.19Å
550	F	93.9	Very high	92.4	Very high	10 Å²	10	41.9 Å²	41.9	4%	0.044	24%	0.238	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-145.5	153.6	163.7	72.2	-90.3	0	0	0	111.9	I558 Y559 F561 A595 V603 L605 L616	F550-I558 WeakPolarHBondContact O-CA 3.33Å; F550-Y559 HydrophobicContact CD2-CD2 4.4Å; F550-Y559 VanDerWaalsContact CE1-CB 3.48Å; F550-Y559 HydrophobicContact CE1-CD1 4.31Å; F550-Y559 HydrophobicContact CE1-CD2 4.27Å; F550-Y559 AromaticContact CE1-CG 3.79Å; F550-Y559 HydrophobicContact CE1-CG 3.79Å; F550-Y559 AromaticContact CE2-CD2 3.61Å; F550-Y559 HydrophobicContact CE2-CD2 3.61Å; F550-Y559 HydrophobicContact CE2-CE2 4.22Å; F550-Y559 HydrophobicContact CE2-CG 4Å; F550-Y559 HydrophobicContact CZ-CD1 4Å; F550-Y559 AromaticContact CZ-CD2 3.54Å; F550-Y559 HydrophobicContact CZ-CD2 3.54Å; F550-Y559 HydrophobicContact CZ-CE2 4.18Å; F550-Y559 AromaticContact CZ-CG 3.46Å; F550-Y559 HydrophobicContact CZ-CG 3.46Å; F550-Y559 VanDerWaalsContact CZ-CG 3.46Å; F550-Y559 PolarHBondContact N-O 3.09Å; F550-Y559 PolarHBondContact O-N 2.96Å; F550-F561 AromaticContact CD1-CE2 3.75Å; F550-F561 HydrophobicContact CD1-CE2 3.75Å; F550-F561 HydrophobicContact CD1-CZ 4.43Å; F550-F561 AromaticContact CE1-CE2 3.61Å; F550-F561 HydrophobicContact CE1-CE2 3.61Å; F550-F561 AromaticContact CE1-CZ 3.85Å; F550-F561 HydrophobicContact CE1-CZ 3.85Å; F550-A595 HydrophobicContact CB-CB 3.7Å; F550-A595 HydrophobicContact CD1-CB 3.48Å; F550-A595 VanDerWaalsContact CD1-CB 3.48Å; F550-A595 HydrophobicContact CE1-CB 4.45Å; F550-A595 HydrophobicContact CG-CB 3.9Å; F550-V603 HydrophobicContact CD1-CG1 4.07Å; F550-V603 HydrophobicContact CD2-CG1 4.26Å; F550-V603 HydrophobicContact CD2-CG2 4.16Å; F550-V603 HydrophobicContact CE1-CG1 4.01Å; F550-V603 HydrophobicContact CE2-CB 4.49Å; F550-V603 HydrophobicContact CE2-CG1 4.25Å; F550-V603 HydrophobicContact CE2-CG2 3.67Å; F550-V603 HydrophobicContact CG-CG1 4.2Å; F550-V603 HydrophobicContact CZ-CB 4.39Å; F550-V603 HydrophobicContact CZ-CG1 4.12Å; F550-V603 HydrophobicContact CZ-CG2 3.94Å; F550-L605 HydrophobicContact CD1-CD2 4.33Å; F550-L605 HydrophobicContact CE1-CD2 3.96Å; F550-L616 HydrophobicContact CE2-CD2 4.15Å; F550-L616 HydrophobicContact CZ-CD2 4.29Å
551	E	92.8	Very high	92.8	Very high	38 Å²	38	37 Å²	37	18%	0.178	21%	0.206	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-102.5	125	172.8	-175.6	-169.3	145.2	0	0	109.9	Q507 V553 K556 K557 I558	Q507-E551 WeakPolarHBondContact CA-OE2 3.3Å; Q507-E551 PolarHBondContact N-OE2 3.2Å; E551-V553 PolarHBondContact O-N 3.15Å; E551-K556 WeakPolarHBondContact OE1-CD 3.47Å; E551-K556 IonicContact OE1-NZ 3.84Å; E551-K556 PolarHBondContact OE1-NZ 3.31Å; E551-K557 WeakPolarHBondContact CA-O 3.45Å; E551-I558 HydrophobicContact CB-CG1 4.37Å; E551-I558 HydrophobicContact CG-CG1 4.19Å
552	D	90.8	Very high	93.1	Very high	6 Å²	6	36.2 Å²	36.2	3%	0.032	20%	0.198	C	C	.	.			trans	-67.9	118.9	169.4	174.1	15.5	0	0	0	109.9	Q554 T555 K556 K557 L616	D552-Q554 PolarHBondContact O-N 3.28Å; D552-Q554 PolarHBondContact OD1-N 3.07Å; D552-T555 VanDerWaalsContact OD2-CB 3.3Å; D552-T555 WeakPolarHBondContact OD2-CB 3.23Å; D552-T555 VanDerWaalsContact OD2-CG2 3.27Å; D552-T555 WeakPolarHBondContact OD2-CG2 3.39Å; D552-T555 PolarHBondContact OD2-N 2.91Å; D552-T555 VanDerWaalsContact OD2-N 3.14Å; D552-T555 PolarHBondContact OD2-OG1 3.49Å; D552-K556 VanDerWaalsContact O-CA 3.29Å; D552-K556 WeakPolarHBondContact O-CA 3.25Å; D552-K556 PolarHBondContact O-N 3.36Å; D552-K557 PolarHBondContact N-O 2.99Å; D552-L616 HydrophobicContact CB-CD1 4.31Å
553	V	88	Confident	93	Very high	73 Å²	73	36.9 Å²	36.9	44%	0.442	21%	0.209	S	C	.	.	T	Hydrogen-bonded Turn	trans	-58.9	-28.9	-179.6	-64.4	0	0	0	0	113.6	E551 K556 Q597	E551-V553 PolarHBondContact O-N 3.15Å; V553-K556 PolarHBondContact O-NZ 3.01Å; V553-Q597 HydrophobicContact CG1-CG 4.01Å; V553-Q597 HydrophobicContact CG2-CG 4.23Å
554	Q	87.4	Confident	93	Very high	109 Å²	109	37.4 Å²	37.4	51%	0.509	21%	0.211	S	C	.	.	T	Hydrogen-bonded Turn	trans	-87.2	-56	-178.9	-72.6	-172.2	82.1	0	0	112.5	D552 K600	D552-Q554 PolarHBondContact O-N 3.28Å; D552-Q554 PolarHBondContact OD1-N 3.07Å; Q554-K600 VanDerWaalsContact NE2-C 3.31Å; Q554-K600 PolarHBondContact NE2-O 3.27Å
555	T	88.8	Confident	93.3	Very high	72 Å²	72	39.4 Å²	39.4	44%	0.442	21%	0.206	S	C	.	.	T	Hydrogen-bonded Turn	trans	-88.6	-9.8	-172.7	64.9	0	0	0	0	113.9	D552 K557	D552-T555 VanDerWaalsContact OD2-CB 3.3Å; D552-T555 WeakPolarHBondContact OD2-CB 3.23Å; D552-T555 VanDerWaalsContact OD2-CG2 3.27Å; D552-T555 WeakPolarHBondContact OD2-CG2 3.39Å; D552-T555 PolarHBondContact OD2-N 2.91Å; D552-T555 VanDerWaalsContact OD2-N 3.14Å; D552-T555 PolarHBondContact OD2-OG1 3.49Å; T555-K557 PolarHBondContact O-N 2.93Å; T555-K557 VanDerWaalsContact O-N 3.14Å; T555-K557 WeakPolarHBondContact OG1-CB 3.42Å; T555-K557 VanDerWaalsContact OG1-CG 3.29Å; T555-K557 WeakPolarHBondContact OG1-CG 3.31Å; T555-K557 PolarHBondContact OG1-N 2.95Å
556	K	90.8	Very high	93.5	Very high	125 Å²	125	36.6 Å²	36.6	54%	0.543	19%	0.189	S	C	.	.			trans	60	16.1	-173.4	-55.1	-55.8	-172.8	-175.2	0	114.1	E551 D552 V553	E551-K556 WeakPolarHBondContact OE1-CD 3.47Å; E551-K556 IonicContact OE1-NZ 3.84Å; E551-K556 PolarHBondContact OE1-NZ 3.31Å; D552-K556 VanDerWaalsContact O-CA 3.29Å; D552-K556 WeakPolarHBondContact O-CA 3.25Å; D552-K556 PolarHBondContact O-N 3.36Å; V553-K556 PolarHBondContact O-NZ 3.01Å
557	K	92.8	Very high	93.6	Very high	73 Å²	73	37.3 Å²	37.3	32%	0.317	19%	0.192	S	C	.	.			trans	-72.5	137	171.8	-68.1	-179.1	179.3	-178.2	0	109.8	E551 D552 T555 Y559 V568 Y569 T570	E551-K557 WeakPolarHBondContact CA-O 3.45Å; D552-K557 PolarHBondContact N-O 2.99Å; T555-K557 PolarHBondContact O-N 2.93Å; T555-K557 VanDerWaalsContact O-N 3.14Å; T555-K557 WeakPolarHBondContact OG1-CB 3.42Å; T555-K557 VanDerWaalsContact OG1-CG 3.29Å; T555-K557 WeakPolarHBondContact OG1-CG 3.31Å; T555-K557 PolarHBondContact OG1-N 2.95Å; K557-Y559 HydrophobicContact CB-CE2 4.04Å; K557-V568 HydrophobicContact CB-CG1 3.92Å; K557-V568 HydrophobicContact CD-CG1 4.02Å; K557-V568 HydrophobicContact CG-CG1 4.32Å; K557-Y569 VanDerWaalsContact CA-O 3.27Å; K557-Y569 WeakPolarHBondContact CA-O 3.28Å; K557-T570 HydrophobicContact CG-CG2 4.36Å
558	I	94.8	Very high	93.6	Very high	14 Å²	14	36.5 Å²	36.5	7%	0.072	19%	0.188	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-106.8	120	177.2	-54.1	162.3	0	0	0	108.1	I506 F550 E551 F560 V568 Y569	I506-I558 HydrophobicContact CG1-CG2 4.48Å; I506-I558 HydrophobicContact CG2-CD1 3.58Å; I506-I558 HydrophobicContact CG2-CG1 4.22Å; I506-I558 HydrophobicContact CG2-CG2 4.31Å; F550-I558 WeakPolarHBondContact O-CA 3.33Å; E551-I558 HydrophobicContact CB-CG1 4.37Å; E551-I558 HydrophobicContact CG-CG1 4.19Å; I558-F560 HydrophobicContact CB-CE2 3.9Å; I558-F560 HydrophobicContact CB-CZ 4.49Å; I558-F560 HydrophobicContact CG2-CD2 3.89Å; I558-F560 HydrophobicContact CG2-CE1 4.32Å; I558-F560 HydrophobicContact CG2-CE2 3.32Å; I558-F560 HydrophobicContact CG2-CZ 3.57Å; I558-V568 CarbonylContact O-C 3.56Å; I558-V568 WeakPolarHBondContact O-CA 3.35Å; I558-Y569 PolarHBondContact N-O 2.88Å; I558-Y569 PolarHBondContact O-N 2.86Å
559	Y	95.4	Very high	93.5	Very high	10 Å²	10	36.8 Å²	36.8	4%	0.039	19%	0.188	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-93.8	126.2	174.3	-72.7	-107.4	0	0	0	108.3	A549 F550 K557 F566 W567 V568 L616	A549-Y559 CarbonylContact C-O 3.53Å; A549-Y559 WeakPolarHBondContact CA-O 3.33Å; A549-Y559 VanDerWaalsContact CB-O 3.22Å; A549-Y559 WeakPolarHBondContact CB-O 3.35Å; F550-Y559 HydrophobicContact CD2-CD2 4.4Å; F550-Y559 VanDerWaalsContact CE1-CB 3.48Å; F550-Y559 HydrophobicContact CE1-CD1 4.31Å; F550-Y559 HydrophobicContact CE1-CD2 4.27Å; F550-Y559 AromaticContact CE1-CG 3.79Å; F550-Y559 HydrophobicContact CE1-CG 3.79Å; F550-Y559 AromaticContact CE2-CD2 3.61Å; F550-Y559 HydrophobicContact CE2-CD2 3.61Å; F550-Y559 HydrophobicContact CE2-CE2 4.22Å; F550-Y559 HydrophobicContact CE2-CG 4Å; F550-Y559 HydrophobicContact CZ-CD1 4Å; F550-Y559 AromaticContact CZ-CD2 3.54Å; F550-Y559 HydrophobicContact CZ-CD2 3.54Å; F550-Y559 HydrophobicContact CZ-CE2 4.18Å; F550-Y559 AromaticContact CZ-CG 3.46Å; F550-Y559 HydrophobicContact CZ-CG 3.46Å; F550-Y559 VanDerWaalsContact CZ-CG 3.46Å; F550-Y559 PolarHBondContact N-O 3.09Å; F550-Y559 PolarHBondContact O-N 2.96Å; K557-Y559 HydrophobicContact CB-CE2 4.04Å; Y559-F566 HydrophobicContact CD1-CD2 4.08Å; Y559-F566 HydrophobicContact CD1-CE2 4.3Å; Y559-F566 HydrophobicContact CE1-CD2 4.47Å; Y559-F566 HydrophobicContact CE1-CE2 4.23Å; Y559-W567 CarbonylContact C-O 3.55Å; Y559-W567 VanDerWaalsContact CA-O 3.3Å; Y559-W567 WeakPolarHBondContact CA-O 3.3Å; Y559-V568 HydrophobicContact CD1-CG1 4.5Å; Y559-V568 HydrophobicContact CD1-CG2 3.6Å; Y559-V568 HydrophobicContact CD2-CG1 4.24Å; Y559-V568 HydrophobicContact CE1-CB 4.43Å; Y559-V568 HydrophobicContact CE1-CG1 4.16Å; Y559-V568 HydrophobicContact CE1-CG2 3.4Å; Y559-V568 VanDerWaalsContact CE1-CG2 3.4Å; Y559-V568 HydrophobicContact CE2-CG1 3.87Å; Y559-V568 HydrophobicContact CG-CG2 4.27Å; Y559-L616 HydrophobicContact CE2-CD2 4.26Å
560	F	97.1	Very high	93.2	Very high	0 Å²	0	39.7 Å²	39.7	0%	0	21%	0.206	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-114.2	142.3	172.5	-68.7	-88.8	0	0	0	109.3	I506 F513 W539 L542 I546 A549 I558 F566 W567 Y569	I506-F560 HydrophobicContact CD1-CE1 3.65Å; I506-F560 HydrophobicContact CD1-CZ 3.84Å; F513-F560 HydrophobicContact CZ-CE1 4.49Å; W539-F560 AromaticContact CD1-CE2 3.91Å; W539-F560 AromaticContact CD1-CZ 3.92Å; W539-F560 HydrophobicContact CD2-CE1 4.43Å; W539-F560 AromaticContact CD2-CZ 3.9Å; W539-F560 HydrophobicContact CD2-CZ 3.9Å; W539-F560 AromaticContact CE2-CZ 3.54Å; W539-F560 HydrophobicContact CG-CE2 4.4Å; W539-F560 HydrophobicContact CG-CZ 4.14Å; W539-F560 AromaticContact CZ2-CZ 3.94Å; W539-F560 HydrophobicContact CZ2-CZ 3.94Å; W539-F560 AromaticContact NE1-CE2 3.83Å; W539-F560 AromaticContact NE1-CZ 3.55Å; L542-F560 HydrophobicContact CD1-CB 4.15Å; L542-F560 HydrophobicContact CD1-CD1 3.47Å; L542-F560 VanDerWaalsContact CD1-CD1 3.47Å; L542-F560 HydrophobicContact CD1-CD2 3.85Å; L542-F560 HydrophobicContact CD1-CE1 3.68Å; L542-F560 HydrophobicContact CD1-CE2 4.02Å; L542-F560 HydrophobicContact CD1-CG 3.55Å; L542-F560 HydrophobicContact CD1-CZ 3.94Å; L542-F560 HydrophobicContact CD2-CB 3.59Å; L542-F560 HydrophobicContact CD2-CD1 4.48Å; L542-F560 HydrophobicContact CD2-CD2 4.15Å; L542-F560 HydrophobicContact CD2-CG 3.85Å; L542-F560 HydrophobicContact CG-CG 4.36Å; I546-F560 HydrophobicContact CD1-CD1 3.76Å; I546-F560 HydrophobicContact CD1-CE1 4.14Å; A549-F560 HydrophobicContact CB-CD1 3.57Å; A549-F560 HydrophobicContact CB-CE1 3.88Å; A549-F560 HydrophobicContact CB-CG 4.19Å; I558-F560 HydrophobicContact CB-CE2 3.9Å; I558-F560 HydrophobicContact CB-CZ 4.49Å; I558-F560 HydrophobicContact CG2-CD2 3.89Å; I558-F560 HydrophobicContact CG2-CE1 4.32Å; I558-F560 HydrophobicContact CG2-CE2 3.32Å; I558-F560 HydrophobicContact CG2-CZ 3.57Å; F560-F566 CarbonylContact O-C 3.56Å; F560-F566 WeakPolarHBondContact O-CA 3.38Å; F560-F566 VanDerWaalsContact O-CB 3.26Å; F560-F566 WeakPolarHBondContact O-CB 3.37Å; F560-W567 HydrophobicContact CB-CB 4.48Å; F560-W567 PolarHBondContact N-O 2.79Å; F560-W567 PolarHBondContact O-N 2.87Å; F560-Y569 AromaticContact CD2-CD2 3.61Å; F560-Y569 HydrophobicContact CD2-CD2 3.61Å; F560-Y569 HydrophobicContact CD2-CE2 4.04Å; F560-Y569 AromaticContact CE2-CD2 3.68Å; F560-Y569 HydrophobicContact CE2-CD2 3.68Å; F560-Y569 HydrophobicContact CE2-CE2 4.21Å; F560-Y569 HydrophobicContact CE2-CG 4.24Å
561	F	97	Very high	92.8	Very high	0 Å²	0	42.7 Å²	42.7	0%	0	24%	0.24	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-122.5	137.9	179.1	-62.5	-90	0	0	0	109.8	D547 S548 F550 R565 F566 I580 L583 V592 L605	D547-F561 PolarHBondContact N-O 3.41Å; S548-F561 PolarHBondContact N-O 3.3Å; S548-F561 PolarHBondContact O-N 3.47Å; S548-F561 WeakPolarHBondContact OG-CD2 3.13Å; F550-F561 AromaticContact CD1-CE2 3.75Å; F550-F561 HydrophobicContact CD1-CE2 3.75Å; F550-F561 HydrophobicContact CD1-CZ 4.43Å; F550-F561 AromaticContact CE1-CE2 3.61Å; F550-F561 HydrophobicContact CE1-CE2 3.61Å; F550-F561 AromaticContact CE1-CZ 3.85Å; F550-F561 HydrophobicContact CE1-CZ 3.85Å; F561-R565 WeakPolarHBondContact CA-O 3.36Å; F561-F566 HydrophobicContact CD1-CB 3.61Å; F561-F566 HydrophobicContact CE1-CB 3.66Å; F561-F566 HydrophobicContact CE1-CG 4.27Å; F561-F566 HydrophobicContact CG-CB 4.33Å; F561-F566 HydrophobicContact CZ-CB 4.4Å; F561-I580 HydrophobicContact CD1-CG2 3.84Å; F561-I580 HydrophobicContact CE1-CG2 4.15Å; F561-L583 HydrophobicContact CE1-CD1 3.58Å; F561-L583 HydrophobicContact CZ-CD1 4Å; F561-V592 HydrophobicContact CB-CB 4.01Å; F561-V592 HydrophobicContact CD1-CB 3.82Å; F561-V592 HydrophobicContact CD1-CG1 4.42Å; F561-V592 HydrophobicContact CD1-CG2 3.69Å; F561-V592 HydrophobicContact CD2-CB 4.4Å; F561-V592 HydrophobicContact CD2-CG1 4.37Å; F561-V592 HydrophobicContact CE1-CB 4.41Å; F561-V592 HydrophobicContact CE1-CG2 4.03Å; F561-V592 HydrophobicContact CG-CB 3.81Å; F561-V592 HydrophobicContact CG-CG1 4.27Å; F561-V592 HydrophobicContact CG-CG2 4.23Å; F561-L605 HydrophobicContact CZ-CD2 4.26Å
562	S	95.7	Very high	92.2	Very high	24 Å²	24	47 Å²	47	17%	0.168	27%	0.274	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-153.5	119.7	172.4	-177.4	0	0	0	0	108.5	P543 V545 D547 T564 R565	P543-S562 WeakPolarHBondContact CG-OG 3.41Å; V545-S562 WeakPolarHBondContact O-CB 3.27Å; V545-S562 PolarHBondContact O-OG 2.88Å; D547-S562 VanDerWaalsContact OD2-CA 3.32Å; D547-S562 WeakPolarHBondContact OD2-CA 3.46Å; S562-T564 PolarHBondContact O-N 3.13Å; S562-R565 PolarHBondContact N-O 2.99Å; S562-R565 WeakPolarHBondContact O-CB 3.47Å; S562-R565 PolarHBondContact O-N 3.27Å
563	G	92.5	Very high	91.9	Very high	29 Å²	29	49.9 Å²	49.9	30%	0.299	30%	0.295	S	S	.	.	T	Hydrogen-bonded Turn	trans	50.5	-133.7	-166.6	0	0	0	0	0	111.6	D547 R565 Q590 K591	D547-G563 PolarHBondContact OD2-N 3.21Å; G563-R565 PolarHBondContact O-N 3.32Å; G563-Q590 CarbonylContact C-O 3.51Å; G563-Q590 WeakPolarHBondContact CA-O 3.12Å; G563-K591 WeakPolarHBondContact O-CA 3.48Å
564	T	93.4	Very high	92.1	Very high	54 Å²	54	49.3 Å²	49.3	33%	0.331	29%	0.291	S	S	.	.	T	Hydrogen-bonded Turn	trans	-81.1	11.5	177.3	56.8	0	0	0	0	113.5	S562 S579 I580 Q590	S562-T564 PolarHBondContact O-N 3.13Å; T564-S579 CarbonylContact O-C 3.54Å; T564-S579 WeakPolarHBondContact O-CA 3.46Å; T564-I580 PolarHBondContact O-N 3.5Å; T564-Q590 PolarHBondContact N-O 3.02Å
565	R	94.3	Very high	92	Very high	98 Å²	98	49 Å²	49	37%	0.37	29%	0.292	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-117.2	151	-175.4	-62.8	175.2	-176	174.6	10.7	112.6	F561 S562 G563 W567 P577 R578	F561-R565 WeakPolarHBondContact CA-O 3.36Å; S562-R565 PolarHBondContact N-O 2.99Å; S562-R565 WeakPolarHBondContact O-CB 3.47Å; S562-R565 PolarHBondContact O-N 3.27Å; G563-R565 PolarHBondContact O-N 3.32Å; R565-W567 HydrophobicContact CB-CH2 3.74Å; R565-W567 HydrophobicContact CB-CZ2 4.49Å; R565-W567 HydrophobicContact CB-CZ3 3.85Å; R565-P577 HydrophobicContact CB-CB 4.08Å; R565-P577 HydrophobicContact CG-CB 4.2Å; R565-R578 CarbonylContact C-O 3.58Å; R565-R578 VanDerWaalsContact CA-O 3.29Å; R565-R578 WeakPolarHBondContact CA-O 3.29Å
566	F	95.9	Very high	91.8	Very high	5 Å²	5	47 Å²	47	2%	0.022	29%	0.287	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-135.6	154.7	169.7	79.5	-83.5	0	0	0	113.2	Y559 F560 F561 V568 R578 S579 I580 K582 L583	Y559-F566 HydrophobicContact CD1-CD2 4.08Å; Y559-F566 HydrophobicContact CD1-CE2 4.3Å; Y559-F566 HydrophobicContact CE1-CD2 4.47Å; Y559-F566 HydrophobicContact CE1-CE2 4.23Å; F560-F566 CarbonylContact O-C 3.56Å; F560-F566 WeakPolarHBondContact O-CA 3.38Å; F560-F566 VanDerWaalsContact O-CB 3.26Å; F560-F566 WeakPolarHBondContact O-CB 3.37Å; F561-F566 HydrophobicContact CD1-CB 3.61Å; F561-F566 HydrophobicContact CE1-CB 3.66Å; F561-F566 HydrophobicContact CE1-CG 4.27Å; F561-F566 HydrophobicContact CG-CB 4.33Å; F561-F566 HydrophobicContact CZ-CB 4.4Å; F566-V568 HydrophobicContact CD2-CG2 3.76Å; F566-V568 HydrophobicContact CE2-CG2 3.54Å; F566-R578 HydrophobicContact CD1-CB 4.03Å; F566-R578 WeakPolarHBondContact CD1-O 3.38Å; F566-R578 HydrophobicContact CE1-CB 3.52Å; F566-R578 HydrophobicContact CZ-CB 3.8Å; F566-R578 HydrophobicContact CZ-CG 4.49Å; F566-R578 PolarHBondContact N-O 2.85Å; F566-R578 PolarHBondContact O-N 3.15Å; F566-S579 VanDerWaalsContact CE1-O 3.28Å; F566-S579 WeakPolarHBondContact CE1-O 3.22Å; F566-I580 HydrophobicContact CB-CG2 4.2Å; F566-I580 HydrophobicContact CD1-CG2 4.09Å; F566-K582 HydrophobicContact CE1-CB 4.43Å; F566-L583 HydrophobicContact CD1-CD1 3.99Å; F566-L583 HydrophobicContact CD1-CD2 4.49Å; F566-L583 HydrophobicContact CD1-CG 4.14Å; F566-L583 HydrophobicContact CE1-CD1 4.09Å; F566-L583 HydrophobicContact CE1-CD2 3.81Å; F566-L583 HydrophobicContact CE1-CG 3.72Å; F566-L583 HydrophobicContact CE2-CD2 3.95Å; F566-L583 HydrophobicContact CG-CD1 4.24Å; F566-L583 HydrophobicContact CZ-CD1 4.43Å; F566-L583 HydrophobicContact CZ-CD2 3.5Å; F566-L583 HydrophobicContact CZ-CG 3.98Å
567	W	96.9	Very high	91.6	Very high	14 Å²	14	44.6 Å²	44.6	5%	0.053	28%	0.284	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-125.6	147.3	175.1	-62.7	-107.4	0	0	0	109.5	A541 L542 P543 Y559 F560 R565 Y569 V574 L575 P577	A541-W567 PolarHBondContact O-NE1 2.92Å; L542-W567 HydrophobicContact CD2-CB 3.84Å; L542-W567 HydrophobicContact CD2-CD2 3.7Å; L542-W567 HydrophobicContact CD2-CE3 3.87Å; L542-W567 HydrophobicContact CD2-CG 3.71Å; P543-W567 HydrophobicContact CG-CH2 3.82Å; P543-W567 HydrophobicContact CG-CZ2 4.35Å; P543-W567 HydrophobicContact CG-CZ3 4.33Å; Y559-W567 CarbonylContact C-O 3.55Å; Y559-W567 VanDerWaalsContact CA-O 3.3Å; Y559-W567 WeakPolarHBondContact CA-O 3.3Å; F560-W567 HydrophobicContact CB-CB 4.48Å; F560-W567 PolarHBondContact N-O 2.79Å; F560-W567 PolarHBondContact O-N 2.87Å; R565-W567 HydrophobicContact CB-CH2 3.74Å; R565-W567 HydrophobicContact CB-CZ2 4.49Å; R565-W567 HydrophobicContact CB-CZ3 3.85Å; W567-Y569 HydrophobicContact CB-CD2 4.39Å; W567-Y569 HydrophobicContact CB-CE2 4.12Å; W567-V574 HydrophobicContact CB-CG2 4.13Å; W567-V574 HydrophobicContact CG-CG2 4.46Å; W567-L575 CarbonylContact C-O 3.51Å; W567-L575 WeakPolarHBondContact CA-O 3.16Å; W567-P577 HydrophobicContact CD2-CB 4.43Å; W567-P577 HydrophobicContact CH2-CB 4.29Å; W567-P577 HydrophobicContact CZ2-CB 3.62Å; W567-P577 HydrophobicContact CZ2-CG 4.28Å
568	V	95.6	Very high	91.3	Very high	8 Å²	8	45.7 Å²	45.7	5%	0.048	29%	0.286	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-122.9	111.8	176.3	-168.9	0	0	0	0	108.9	K557 I558 Y559 F566 L575	K557-V568 HydrophobicContact CB-CG1 3.92Å; K557-V568 HydrophobicContact CD-CG1 4.02Å; K557-V568 HydrophobicContact CG-CG1 4.32Å; I558-V568 CarbonylContact O-C 3.56Å; I558-V568 WeakPolarHBondContact O-CA 3.35Å; Y559-V568 HydrophobicContact CD1-CG1 4.5Å; Y559-V568 HydrophobicContact CD1-CG2 3.6Å; Y559-V568 HydrophobicContact CD2-CG1 4.24Å; Y559-V568 HydrophobicContact CE1-CB 4.43Å; Y559-V568 HydrophobicContact CE1-CG1 4.16Å; Y559-V568 HydrophobicContact CE1-CG2 3.4Å; Y559-V568 VanDerWaalsContact CE1-CG2 3.4Å; Y559-V568 HydrophobicContact CE2-CG1 3.87Å; Y559-V568 HydrophobicContact CG-CG2 4.27Å; F566-V568 HydrophobicContact CD2-CG2 3.76Å; F566-V568 HydrophobicContact CE2-CG2 3.54Å; V568-L575 HydrophobicContact CB-CB 4.36Å; V568-L575 PolarHBondContact N-O 3.15Å; V568-L575 PolarHBondContact O-N 3.49Å
569	Y	93.6	Very high	91.2	Very high	10 Å²	10	47 Å²	47	4%	0.039	30%	0.297	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-92.1	133.5	175.7	-81	-100.9	0	0	0	111	W539 A541 L542 K557 I558 F560 W567 S573 V574	W539-Y569 HydrophobicContact CB-CE1 4.28Å; W539-Y569 HydrophobicContact CB-CE2 4.4Å; W539-Y569 AromaticContact CD1-CD1 3.9Å; W539-Y569 AromaticContact CD1-CE1 3.78Å; W539-Y569 AromaticContact CD1-CZ 3.93Å; W539-Y569 HydrophobicContact CG-CE1 4.46Å; A541-Y569 WeakPolarHBondContact CB-OH 3.47Å; A541-Y569 PolarHBondContact N-OH 3.46Å; A541-Y569 VanDerWaalsContact N-OH 3.15Å; L542-Y569 HydrophobicContact CD1-CE2 4.34Å; L542-Y569 HydrophobicContact CD2-CE2 3.84Å; L542-Y569 HydrophobicContact CG-CE2 3.87Å; K557-Y569 VanDerWaalsContact CA-O 3.27Å; K557-Y569 WeakPolarHBondContact CA-O 3.28Å; I558-Y569 PolarHBondContact N-O 2.88Å; I558-Y569 PolarHBondContact O-N 2.86Å; F560-Y569 AromaticContact CD2-CD2 3.61Å; F560-Y569 HydrophobicContact CD2-CD2 3.61Å; F560-Y569 HydrophobicContact CD2-CE2 4.04Å; F560-Y569 AromaticContact CE2-CD2 3.68Å; F560-Y569 HydrophobicContact CE2-CD2 3.68Å; F560-Y569 HydrophobicContact CE2-CE2 4.21Å; F560-Y569 HydrophobicContact CE2-CG 4.24Å; W567-Y569 HydrophobicContact CB-CD2 4.39Å; W567-Y569 HydrophobicContact CB-CE2 4.12Å; Y569-S573 CarbonylContact C-O 3.55Å; Y569-S573 WeakPolarHBondContact CA-O 3.36Å; Y569-V574 HydrophobicContact CD1-CB 4.01Å; Y569-V574 HydrophobicContact CD1-CG2 4.33Å; Y569-V574 HydrophobicContact CD2-CB 4.35Å; Y569-V574 HydrophobicContact CD2-CG2 3.79Å; Y569-V574 HydrophobicContact CE1-CB 3.74Å; Y569-V574 HydrophobicContact CE1-CG2 4.02Å; Y569-V574 HydrophobicContact CE2-CB 4.12Å; Y569-V574 HydrophobicContact CE2-CG2 3.43Å; Y569-V574 VanDerWaalsContact CE2-CG2 3.43Å; Y569-V574 HydrophobicContact CG-CB 4.32Å; Y569-V574 HydrophobicContact CG-CG2 4.25Å
570	T	90.8	Very high	91	Very high	62 Å²	62	46.7 Å²	46.7	38%	0.38	30%	0.295	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-126.8	94.8	170.6	-47.4	0	0	0	0	108	K557 S572 S573	K557-T570 HydrophobicContact CG-CG2 4.36Å; T570-S572 PolarHBondContact O-N 2.91Å; T570-S573 PolarHBondContact N-O 3Å; T570-S573 PolarHBondContact O-N 2.82Å; T570-S573 VanDerWaalsContact O-N 3.15Å; T570-S573 PolarHBondContact O-OG 3.17Å
571	G	85.1	Confident	90.6	Very high	73 Å²	73	51.4 Å²	51.4	75%	0.753	32%	0.318	S	S	*	.	T	Hydrogen-bonded Turn	trans	63.3	-123.4	-169.3	0	0	0	0	0	111.2
572	S	80.7	Confident	90.1	Very high	128 Å²	128	57.3 Å²	57.3	90%	0.895	34%	0.343	S	S	*	.	T	Hydrogen-bonded Turn	trans	-85.6	-11.1	175.6	52.3	0	0	0	0	114.1	T570	T570-S572 PolarHBondContact O-N 2.91Å
573	S	84.4	Confident	89.8	Confident	66 Å²	66	56.4 Å²	56.4	46%	0.462	34%	0.336	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-87	144.7	179.3	69.1	0	0	0	0	111.6	Y569 T570	Y569-S573 CarbonylContact C-O 3.55Å; Y569-S573 WeakPolarHBondContact CA-O 3.36Å; T570-S573 PolarHBondContact N-O 3Å; T570-S573 PolarHBondContact O-N 2.82Å; T570-S573 VanDerWaalsContact O-N 3.15Å; T570-S573 PolarHBondContact O-OG 3.17Å
574	V	92.1	Very high	89.4	Confident	61 Å²	61	57 Å²	57	37%	0.37	34%	0.343	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-128.8	138.2	-179.9	61.3	0	0	0	0	111.1	A541 W567 Y569	A541-V574 HydrophobicContact CB-CB 4.47Å; A541-V574 HydrophobicContact CB-CG1 3.8Å; A541-V574 HydrophobicContact CB-CG2 4.11Å; W567-V574 HydrophobicContact CB-CG2 4.13Å; W567-V574 HydrophobicContact CG-CG2 4.46Å; Y569-V574 HydrophobicContact CD1-CB 4.01Å; Y569-V574 HydrophobicContact CD1-CG2 4.33Å; Y569-V574 HydrophobicContact CD2-CB 4.35Å; Y569-V574 HydrophobicContact CD2-CG2 3.79Å; Y569-V574 HydrophobicContact CE1-CB 3.74Å; Y569-V574 HydrophobicContact CE1-CG2 4.02Å; Y569-V574 HydrophobicContact CE2-CB 4.12Å; Y569-V574 HydrophobicContact CE2-CG2 3.43Å; Y569-V574 VanDerWaalsContact CE2-CG2 3.43Å; Y569-V574 HydrophobicContact CG-CB 4.32Å; Y569-V574 HydrophobicContact CG-CG2 4.25Å
575	L	85.3	Confident	89.2	Confident	102 Å²	102	54.8 Å²	54.8	53%	0.534	33%	0.329	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-114.8	114.1	168.9	-179.9	74.3	0	0	0	108.5	W567 V568	W567-L575 CarbonylContact C-O 3.51Å; W567-L575 WeakPolarHBondContact CA-O 3.16Å; V568-L575 HydrophobicContact CB-CB 4.36Å; V568-L575 PolarHBondContact N-O 3.15Å; V568-L575 PolarHBondContact O-N 3.49Å
576	G	84.3	Confident	88.7	Confident	32 Å²	32	52.1 Å²	52.1	33%	0.33	33%	0.325	S	S	.	.	E	Extended strand (participates in β ladder)	trans	148.9	176.7	-179.7	0	0	0	0	0	112
577	P	86.7	Confident	87.7	Confident	74 Å²	74	56.1 Å²	56.1	48%	0.481	35%	0.351	S	S	.	.	E	Extended strand (participates in β ladder)	cis	-67.7	146.6	-2.4	24.6	-31	0	0	0	112.8	R565 W567	R565-P577 HydrophobicContact CB-CB 4.08Å; R565-P577 HydrophobicContact CG-CB 4.2Å; W567-P577 HydrophobicContact CD2-CB 4.43Å; W567-P577 HydrophobicContact CH2-CB 4.29Å; W567-P577 HydrophobicContact CZ2-CB 3.62Å; W567-P577 HydrophobicContact CZ2-CG 4.28Å
578	R	87	Confident	86.9	Confident	96 Å²	96	59.5 Å²	59.5	36%	0.362	38%	0.376	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-128.4	147.6	168.2	-63.3	-174.1	106.8	-147.7	5.3	109.5	R565 F566 I580 K582	R565-R578 CarbonylContact C-O 3.58Å; R565-R578 VanDerWaalsContact CA-O 3.29Å; R565-R578 WeakPolarHBondContact CA-O 3.29Å; F566-R578 HydrophobicContact CD1-CB 4.03Å; F566-R578 WeakPolarHBondContact CD1-O 3.38Å; F566-R578 HydrophobicContact CE1-CB 3.52Å; F566-R578 HydrophobicContact CZ-CB 3.8Å; F566-R578 HydrophobicContact CZ-CG 4.49Å; F566-R578 PolarHBondContact N-O 2.85Å; F566-R578 PolarHBondContact O-N 3.15Å; R578-I580 PolarHBondContact O-N 2.9Å; R578-K582 HydrophobicContact CB-CD 4.46Å
579	S	91.5	Very high	86.4	Confident	42 Å²	42	59.3 Å²	59.3	29%	0.294	38%	0.376	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-60.9	135.1	172.4	169.8	0	0	0	0	110.7	T564 F566 E581 K582	T564-S579 CarbonylContact O-C 3.54Å; T564-S579 WeakPolarHBondContact O-CA 3.46Å; F566-S579 VanDerWaalsContact CE1-O 3.28Å; F566-S579 WeakPolarHBondContact CE1-O 3.22Å; S579-E581 PolarHBondContact O-N 2.83Å; S579-E581 WeakPolarHBondContact OG-CB 3.26Å; S579-E581 WeakPolarHBondContact OG-CG 3.08Å; S579-E581 PolarHBondContact OG-N 2.83Å; S579-E581 VanDerWaalsContact OG-N 3.15Å; S579-K582 WeakPolarHBondContact O-CB 3.05Å; S579-K582 PolarHBondContact O-N 2.9Å
580	I	91.6	Very high	86.1	Confident	2 Å²	2	64.2 Å²	64.2	1%	0.01	40%	0.399	C	S	.	.	G	3₁₀ helix	trans	-61.8	-17.8	175.2	62.3	175.5	0	0	0	112.7	F561 T564 F566 R578 K582 L583 L585 V589 V592	F561-I580 HydrophobicContact CD1-CG2 3.84Å; F561-I580 HydrophobicContact CE1-CG2 4.15Å; T564-I580 PolarHBondContact O-N 3.5Å; F566-I580 HydrophobicContact CB-CG2 4.2Å; F566-I580 HydrophobicContact CD1-CG2 4.09Å; R578-I580 PolarHBondContact O-N 2.9Å; I580-K582 PolarHBondContact O-N 2.86Å; I580-L583 WeakPolarHBondContact O-CA 3.37Å; I580-L583 WeakPolarHBondContact O-CB 3.41Å; I580-L583 PolarHBondContact O-N 3.09Å; I580-L585 HydrophobicContact CB-CD1 4.06Å; I580-L585 HydrophobicContact CD1-CD1 4.22Å; I580-L585 HydrophobicContact CG1-CD1 4.41Å; I580-V589 HydrophobicContact CD1-CB 4.36Å; I580-V589 HydrophobicContact CD1-CG1 3.77Å; I580-V589 WeakPolarHBondContact CD1-O 3.43Å; I580-V592 HydrophobicContact CD1-CG2 4.43Å
581	E	88.9	Confident	86.2	Confident	100 Å²	100	64.7 Å²	64.7	47%	0.467	40%	0.396	S	S	.	.	G	3₁₀ helix	trans	-61.7	-27.5	171.1	-64.2	173.4	-160.4	0	0	112.3	S579 L583 G584 L585	S579-E581 PolarHBondContact O-N 2.83Å; S579-E581 WeakPolarHBondContact OG-CB 3.26Å; S579-E581 WeakPolarHBondContact OG-CG 3.08Å; S579-E581 PolarHBondContact OG-N 2.83Å; S579-E581 VanDerWaalsContact OG-N 3.15Å; E581-L583 PolarHBondContact O-N 3.49Å; E581-L583 VanDerWaalsContact O-N 3.09Å; E581-G584 WeakPolarHBondContact O-CA 3.43Å; E581-G584 PolarHBondContact O-N 3.23Å; E581-L585 WeakPolarHBondContact CA-O 3.49Å
582	K	86.4	Confident	86.7	Confident	123 Å²	123	61.3 Å²	61.3	54%	0.535	36%	0.36	S	S	.	.	G	3₁₀ helix	trans	-64.7	-12.8	172	-67.1	-165.7	175.4	179.1	0	113.2	F566 R578 S579 I580 G584	F566-K582 HydrophobicContact CE1-CB 4.43Å; R578-K582 HydrophobicContact CB-CD 4.46Å; S579-K582 WeakPolarHBondContact O-CB 3.05Å; S579-K582 PolarHBondContact O-N 2.9Å; I580-K582 PolarHBondContact O-N 2.86Å; K582-G584 VanDerWaalsContact C-N 3.35Å
583	L	88.1	Confident	87.3	Confident	5 Å²	5	56.4 Å²	56.4	3%	0.026	32%	0.323	C	S	.	.	G	3₁₀ helix	trans	-89.5	-5	171.6	-51.9	177.1	0	0	0	112.1	F561 F566 I580 E581 L605 F614 G620 I621	F561-L583 HydrophobicContact CE1-CD1 3.58Å; F561-L583 HydrophobicContact CZ-CD1 4Å; F566-L583 HydrophobicContact CD1-CD1 3.99Å; F566-L583 HydrophobicContact CD1-CD2 4.49Å; F566-L583 HydrophobicContact CD1-CG 4.14Å; F566-L583 HydrophobicContact CE1-CD1 4.09Å; F566-L583 HydrophobicContact CE1-CD2 3.81Å; F566-L583 HydrophobicContact CE1-CG 3.72Å; F566-L583 HydrophobicContact CE2-CD2 3.95Å; F566-L583 HydrophobicContact CG-CD1 4.24Å; F566-L583 HydrophobicContact CZ-CD1 4.43Å; F566-L583 HydrophobicContact CZ-CD2 3.5Å; F566-L583 HydrophobicContact CZ-CG 3.98Å; I580-L583 WeakPolarHBondContact O-CA 3.37Å; I580-L583 WeakPolarHBondContact O-CB 3.41Å; I580-L583 PolarHBondContact O-N 3.09Å; E581-L583 PolarHBondContact O-N 3.49Å; E581-L583 VanDerWaalsContact O-N 3.09Å; L583-L605 HydrophobicContact CD1-CD1 4.35Å; L583-F614 HydrophobicContact CB-CD2 4.11Å; L583-F614 HydrophobicContact CB-CE2 3.85Å; L583-F614 HydrophobicContact CD2-CE1 4.37Å; L583-F614 HydrophobicContact CD2-CE2 3.73Å; L583-F614 HydrophobicContact CD2-CZ 3.6Å; L583-F614 HydrophobicContact CG-CE2 4.36Å; L583-G620 CarbonylContact O-C 3.52Å; L583-G620 VanDerWaalsContact O-CA 3.31Å; L583-G620 WeakPolarHBondContact O-CA 3.27Å; L583-I621 VanDerWaalsContact O-CG1 3.32Å; L583-I621 WeakPolarHBondContact O-CG1 3.2Å; L583-I621 PolarHBondContact O-N 2.66Å
584	G	85.5	Confident	87.8	Confident	43 Å²	43	53.3 Å²	53.3	44%	0.443	30%	0.302	S	S	.	.	T	Hydrogen-bonded Turn	trans	87.6	15.6	-174.9	0	0	0	0	0	114.2	E581 K582 I621	E581-G584 WeakPolarHBondContact O-CA 3.43Å; E581-G584 PolarHBondContact O-N 3.23Å; K582-G584 VanDerWaalsContact C-N 3.35Å; G584-I621 VanDerWaalsContact C-CG1 3.42Å; G584-I621 VanDerWaalsContact O-CG1 3.27Å; G584-I621 WeakPolarHBondContact O-CG1 3.47Å
585	L	88.6	Confident	87.9	Confident	6 Å²	6	50.8 Å²	50.8	3%	0.031	29%	0.287	C	S	.	.			trans	-76.8	141.9	172.2	-71.4	168.4	0	0	0	109.7	I580 E581 V589 V592 L605 W612 I621	I580-L585 HydrophobicContact CB-CD1 4.06Å; I580-L585 HydrophobicContact CD1-CD1 4.22Å; I580-L585 HydrophobicContact CG1-CD1 4.41Å; E581-L585 WeakPolarHBondContact CA-O 3.49Å; L585-V589 HydrophobicContact CB-CB 4.5Å; L585-V589 HydrophobicContact CD1-CG1 4.4Å; L585-V592 HydrophobicContact CD1-CG2 3.89Å; L585-L605 HydrophobicContact CD1-CD1 4.02Å; L585-W612 HydrophobicContact CD2-CB 3.72Å; L585-W612 HydrophobicContact CD2-CD2 3.51Å; L585-W612 HydrophobicContact CD2-CE3 3.95Å; L585-W612 HydrophobicContact CD2-CG 3.43Å; L585-W612 VanDerWaalsContact CD2-CG 3.43Å; L585-I621 HydrophobicContact CD2-CD1 4.09Å; L585-I621 HydrophobicContact CD2-CG1 4.11Å; L585-I621 HydrophobicContact CG-CD1 4.32Å; L585-I621 HydrophobicContact CG-CG1 4.23Å
586	P	83.3	Confident	88.3	Confident	43 Å²	43	46.2 Å²	46.2	28%	0.279	26%	0.263	S	S	.	.			trans	-72.1	154.5	178.5	29.9	-32.9	0	0	0	111	S588 V589 W612	P586-S588 PolarHBondContact O-N 2.65Å; P586-V589 HydrophobicContact CG-CG2 3.95Å; P586-V589 WeakPolarHBondContact O-CB 3.14Å; P586-V589 PolarHBondContact O-N 3.02Å; P586-W612 HydrophobicContact CG-CZ2 4.04Å
587	P	76.4	Confident	88.5	Confident	89 Å²	89	46.2 Å²	46.2	58%	0.578	26%	0.255	S	S	*	.	T	Hydrogen-bonded Turn	trans	-58.3	-20.5	179.5	-25.4	34.1	0	0	0	114.5	V589 Q590	P587-V589 PolarHBondContact O-N 2.96Å; P587-Q590 PolarHBondContact O-NE2 3.03Å
588	S	79	Confident	88.5	Confident	84 Å²	84	48.4 Å²	48.4	59%	0.587	25%	0.253	S	S	*	.	T	Hydrogen-bonded Turn	trans	-68	-13.4	174.7	58.5	0	0	0	0	114.2	P586 Q590	P586-S588 PolarHBondContact O-N 2.65Å; S588-Q590 PolarHBondContact O-N 3.25Å
589	V	86.3	Confident	88.4	Confident	5 Å²	5	46.7 Å²	46.7	3%	0.03	27%	0.266	C	S	.	.			trans	-85.1	109.5	174.5	175.1	0	0	0	0	108.7	I580 L585 P586 P587 K591 W612	I580-V589 HydrophobicContact CD1-CB 4.36Å; I580-V589 HydrophobicContact CD1-CG1 3.77Å; I580-V589 WeakPolarHBondContact CD1-O 3.43Å; L585-V589 HydrophobicContact CB-CB 4.5Å; L585-V589 HydrophobicContact CD1-CG1 4.4Å; P586-V589 HydrophobicContact CG-CG2 3.95Å; P586-V589 WeakPolarHBondContact O-CB 3.14Å; P586-V589 PolarHBondContact O-N 3.02Å; P587-V589 PolarHBondContact O-N 2.96Å; V589-K591 WeakPolarHBondContact CG1-O 3.47Å; V589-W612 HydrophobicContact CG2-CH2 3.32Å; V589-W612 HydrophobicContact CG2-CZ2 3.37Å; V589-W612 HydrophobicContact CG2-CZ3 3.96Å
590	Q	86	Confident	88	Confident	113 Å²	113	52.3 Å²	52.3	53%	0.528	28%	0.284	S	S	.	.			trans	-89.3	-19	-176.4	-66.1	-62.1	-24.9	0	0	113.7	G563 T564 P587 S588	G563-Q590 CarbonylContact C-O 3.51Å; G563-Q590 WeakPolarHBondContact CA-O 3.12Å; T564-Q590 PolarHBondContact N-O 3.02Å; P587-Q590 PolarHBondContact O-NE2 3.03Å; S588-Q590 PolarHBondContact O-N 3.25Å
591	K	93.6	Very high	87.8	Confident	72 Å²	72	53.3 Å²	53.3	31%	0.313	29%	0.292	S	S	.	.			trans	-162.7	161.6	175.4	55	173.4	-179.8	154.9	0	111.5	D547 G563 V589 E593 S607	D547-K591 HydrophobicContact CB-CB 4.38Å; D547-K591 WeakPolarHBondContact OD2-CB 3.31Å; G563-K591 WeakPolarHBondContact O-CA 3.48Å; V589-K591 WeakPolarHBondContact CG1-O 3.47Å; K591-E593 HydrophobicContact CD-CG 3.94Å; K591-E593 WeakPolarHBondContact CE-OE1 3.38Å; K591-E593 HydrophobicContact CG-CG 4.04Å; K591-E593 IonicContact NZ-OE1 2.67Å; K591-E593 PolarHBondContact NZ-OE1 2.87Å; K591-S607 WeakPolarHBondContact O-CB 3.45Å; K591-S607 PolarHBondContact O-OG 3.16Å
592	V	96.1	Very high	88	Confident	1 Å²	1	50.6 Å²	50.6	1%	0.006	28%	0.278	C	S	.	.			trans	-107.1	109.3	171.6	-179.7	0	0	0	0	107.9	D547 S548 F561 I580 L585 G594 L605 F606	D547-V592 CarbonylContact C-O 3.44Å; D547-V592 WeakPolarHBondContact CB-O 3.4Å; S548-V592 WeakPolarHBondContact CB-O 3.35Å; S548-V592 PolarHBondContact OG-O 2.8Å; F561-V592 HydrophobicContact CB-CB 4.01Å; F561-V592 HydrophobicContact CD1-CB 3.82Å; F561-V592 HydrophobicContact CD1-CG1 4.42Å; F561-V592 HydrophobicContact CD1-CG2 3.69Å; F561-V592 HydrophobicContact CD2-CB 4.4Å; F561-V592 HydrophobicContact CD2-CG1 4.37Å; F561-V592 HydrophobicContact CE1-CB 4.41Å; F561-V592 HydrophobicContact CE1-CG2 4.03Å; F561-V592 HydrophobicContact CG-CB 3.81Å; F561-V592 HydrophobicContact CG-CG1 4.27Å; F561-V592 HydrophobicContact CG-CG2 4.23Å; I580-V592 HydrophobicContact CD1-CG2 4.43Å; L585-V592 HydrophobicContact CD1-CG2 3.89Å; V592-G594 WeakPolarHBondContact CG1-O 3.32Å; V592-L605 HydrophobicContact CG1-CB 4.05Å; V592-L605 HydrophobicContact CG1-CD2 4.23Å; V592-F606 CarbonylContact C-O 3.48Å; V592-F606 WeakPolarHBondContact CA-O 3.06Å
593	E	92.6	Very high	88.4	Confident	26 Å²	26	44.7 Å²	44.7	12%	0.121	25%	0.253	C	S	.	.			trans	-87.8	-8.9	-175.2	-65.5	177.2	133	0	0	112.3	K591 F606 G608 H641 D642 V643	K591-E593 HydrophobicContact CD-CG 3.94Å; K591-E593 WeakPolarHBondContact CE-OE1 3.38Å; K591-E593 HydrophobicContact CG-CG 4.04Å; K591-E593 IonicContact NZ-OE1 2.67Å; K591-E593 PolarHBondContact NZ-OE1 2.87Å; E593-F606 PolarHBondContact N-O 3.45Å; E593-G608 WeakPolarHBondContact OE2-CA 3.46Å; E593-G608 PolarHBondContact OE2-N 3Å; E593-H641 VanDerWaalsContact O-O 3.05Å; E593-D642 VanDerWaalsContact O-CA 3.32Å; E593-D642 WeakPolarHBondContact O-CA 3.42Å; E593-V643 PolarHBondContact O-N 3.35Å
594	G	94.4	Very high	88.8	Confident	1 Å²	1	44.8 Å²	44.8	1%	0.01	25%	0.253	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-171.7	158.8	177.1	0	0	0	0	0	113.7	V592 F606 V643	V592-G594 WeakPolarHBondContact CG1-O 3.32Å; G594-F606 PolarHBondContact N-O 2.78Å; G594-F606 PolarHBondContact O-N 3.2Å; G594-V643 WeakPolarHBondContact CA-O 3.23Å
595	A	94.8	Very high	89.3	Confident	7 Å²	7	42.8 Å²	42.8	6%	0.058	23%	0.232	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-144.5	126.4	-177.4	0	0	0	0	0	111.1	F550 V603 L604 L605 V643	F550-A595 HydrophobicContact CB-CB 3.7Å; F550-A595 HydrophobicContact CD1-CB 3.48Å; F550-A595 VanDerWaalsContact CD1-CB 3.48Å; F550-A595 HydrophobicContact CE1-CB 4.45Å; F550-A595 HydrophobicContact CG-CB 3.9Å; A595-V603 HydrophobicContact CB-CG1 4.17Å; A595-L604 CarbonylContact C-O 3.58Å; A595-L604 VanDerWaalsContact CA-O 3.27Å; A595-L604 WeakPolarHBondContact CA-O 3.32Å; A595-L605 HydrophobicContact CB-CD2 4.01Å; A595-V643 PolarHBondContact N-O 2.73Å
596	L	92.7	Very high	89.6	Confident	6 Å²	6	42.7 Å²	42.7	3%	0.031	23%	0.232	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-121.6	115.5	178.4	-62.4	-179.8	0	0	0	111.4	R598 V603 L604 F606 F633 V643 Q645 I650	L596-R598 PolarHBondContact O-N 2.92Å; L596-V603 CarbonylContact O-C 3.6Å; L596-V603 WeakPolarHBondContact O-CA 3.39Å; L596-L604 HydrophobicContact CB-CB 4.29Å; L596-L604 PolarHBondContact N-O 3.4Å; L596-L604 PolarHBondContact O-N 3.14Å; L596-F606 HydrophobicContact CB-CE2 4.02Å; L596-F606 HydrophobicContact CD1-CE2 3.51Å; L596-F606 HydrophobicContact CD1-CZ 3.62Å; L596-F606 HydrophobicContact CG-CD2 4.41Å; L596-F606 HydrophobicContact CG-CE2 3.59Å; L596-F606 HydrophobicContact CG-CZ 4.24Å; L596-F633 HydrophobicContact CD1-CE1 4.48Å; L596-F633 HydrophobicContact CD1-CZ 4.47Å; L596-V643 HydrophobicContact CD1-CG1 3.71Å; L596-V643 HydrophobicContact CD2-CG1 4.02Å; L596-V643 HydrophobicContact CG-CG1 3.81Å; L596-Q645 HydrophobicContact CD2-CB 4.07Å; L596-I650 HydrophobicContact CD1-CD1 4.22Å; L596-I650 HydrophobicContact CD1-CG1 4.37Å; L596-I650 HydrophobicContact CD1-CG2 3.5Å; L596-I650 VanDerWaalsContact CD1-CG2 3.5Å; L596-I650 HydrophobicContact CD2-CG2 3.92Å; L596-I650 HydrophobicContact CG-CG2 4.37Å
597	Q	89.2	Confident	90.1	Very high	33 Å²	33	41.6 Å²	41.6	15%	0.154	23%	0.225	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-64.1	126.9	170.8	-173.3	72.7	28	0	0	110.1	V553 G599 K600	V553-Q597 HydrophobicContact CG1-CG 4.01Å; V553-Q597 HydrophobicContact CG2-CG 4.23Å; Q597-G599 WeakPolarHBondContact CG-O 3.22Å; Q597-G599 PolarHBondContact NE2-O 2.87Å; Q597-K600 PolarHBondContact NE2-O 3.42Å
598	R	86.8	Confident	90.5	Very high	120 Å²	120	38.8 Å²	38.8	45%	0.453	21%	0.212	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-121.1	101	175.6	-172.6	175.7	178.1	-175.5	-2.5	110.3	L596 K602	L596-R598 PolarHBondContact O-N 2.92Å; R598-K602 CarbonylContact C-O 3.52Å; R598-K602 HydrophobicContact CB-CB 4.42Å; R598-K602 PolarHBondContact N-O 3.41Å; R598-K602 WeakPolarHBondContact O-CB 3.42Å
599	G	85	Confident	90.8	Very high	60 Å²	60	37.4 Å²	37.4	62%	0.619	20%	0.196	S	C	*	.	T	Hydrogen-bonded Turn	trans	68.2	-151.1	-176.2	0	0	0	0	0	111.7	Q597	Q597-G599 WeakPolarHBondContact CG-O 3.22Å; Q597-G599 PolarHBondContact NE2-O 2.87Å
600	K	83.1	Confident	91	Very high	159 Å²	159	39.1 Å²	39.1	69%	0.691	21%	0.205	S	C	*	.	T	Hydrogen-bonded Turn	trans	-83.4	-34	-171.3	-67.4	-174	178.6	-178.1	0	114.1	Q554 Q597	Q554-K600 VanDerWaalsContact NE2-C 3.31Å; Q554-K600 PolarHBondContact NE2-O 3.27Å; Q597-K600 PolarHBondContact NE2-O 3.42Å
601	S	86.8	Confident	91.4	Very high	23 Å²	23	33.9 Å²	33.9	16%	0.161	18%	0.181	C	C	.	.	T	Hydrogen-bonded Turn	trans	-128.4	6.5	-169	67.3	0	0	0	0	115.6	L616	S601-L616 PolarHBondContact O-N 2.96Å
602	K	93.1	Very high	91.5	Very high	43 Å²	43	31 Å²	31	19%	0.187	17%	0.168	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-120.2	141.6	-177.9	-58.8	-64.1	-165.5	168.4	0	110.3	R598 R613 F614 D615 D622	R598-K602 CarbonylContact C-O 3.52Å; R598-K602 HydrophobicContact CB-CB 4.42Å; R598-K602 PolarHBondContact N-O 3.41Å; R598-K602 WeakPolarHBondContact O-CB 3.42Å; K602-R613 HydrophobicContact CB-CG 4.26Å; K602-R613 HydrophobicContact CD-CG 4.3Å; K602-F614 CarbonylContact C-O 3.53Å; K602-F614 WeakPolarHBondContact CA-O 3.49Å; K602-D615 HydrophobicContact CD-CB 3.92Å; K602-D615 VanDerWaalsContact CE-OD2 3.23Å; K602-D615 WeakPolarHBondContact CE-OD2 3.41Å; K602-D615 VanDerWaalsContact NZ-CB 3.26Å; K602-D615 IonicContact NZ-OD2 2.61Å; K602-D615 PolarHBondContact NZ-OD2 2.75Å; K602-D622 IonicContact NZ-OD1 2.75Å; K602-D622 PolarHBondContact NZ-OD1 3.09Å; K602-D622 IonicContact NZ-OD2 2.83Å; K602-D622 PolarHBondContact NZ-OD2 2.82Å
603	V	95.4	Very high	91.5	Very high	0 Å²	0	34.3 Å²	34.3	0%	0	18%	0.18	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-127.7	136.4	174.4	-172.7	0	0	0	0	107.9	F550 A595 L596 L605 R613 F614 L616	F550-V603 HydrophobicContact CD1-CG1 4.07Å; F550-V603 HydrophobicContact CD2-CG1 4.26Å; F550-V603 HydrophobicContact CD2-CG2 4.16Å; F550-V603 HydrophobicContact CE1-CG1 4.01Å; F550-V603 HydrophobicContact CE2-CB 4.49Å; F550-V603 HydrophobicContact CE2-CG1 4.25Å; F550-V603 HydrophobicContact CE2-CG2 3.67Å; F550-V603 HydrophobicContact CG-CG1 4.2Å; F550-V603 HydrophobicContact CZ-CB 4.39Å; F550-V603 HydrophobicContact CZ-CG1 4.12Å; F550-V603 HydrophobicContact CZ-CG2 3.94Å; A595-V603 HydrophobicContact CB-CG1 4.17Å; L596-V603 CarbonylContact O-C 3.6Å; L596-V603 WeakPolarHBondContact O-CA 3.39Å; V603-L605 HydrophobicContact CG1-CD2 3.75Å; V603-R613 CarbonylContact O-C 3.6Å; V603-R613 WeakPolarHBondContact O-CA 3.28Å; V603-F614 HydrophobicContact CB-CB 4.45Å; V603-F614 HydrophobicContact CB-CD1 4.46Å; V603-F614 PolarHBondContact N-O 3.39Å; V603-F614 PolarHBondContact O-N 2.76Å; V603-L616 HydrophobicContact CG2-CD1 3.74Å; V603-L616 HydrophobicContact CG2-CD2 4.27Å; V603-L616 HydrophobicContact CG2-CG 3.96Å
604	L	95.4	Very high	91.7	Very high	6 Å²	6	33.1 Å²	33.1	3%	0.031	18%	0.175	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-94.5	118.3	169.8	-54.8	-178.1	0	0	0	107.6	A595 L596 F606 F611 W612 R613 F633	A595-L604 CarbonylContact C-O 3.58Å; A595-L604 VanDerWaalsContact CA-O 3.27Å; A595-L604 WeakPolarHBondContact CA-O 3.32Å; L596-L604 HydrophobicContact CB-CB 4.29Å; L596-L604 PolarHBondContact N-O 3.4Å; L596-L604 PolarHBondContact O-N 3.14Å; L604-F606 HydrophobicContact CB-CD2 4.47Å; L604-F606 HydrophobicContact CB-CE2 3.66Å; L604-F606 HydrophobicContact CB-CZ 4.14Å; L604-F606 HydrophobicContact CD1-CZ 4.48Å; L604-F611 HydrophobicContact CB-CD2 4.13Å; L604-F611 HydrophobicContact CD1-CD2 4.24Å; L604-F611 HydrophobicContact CD1-CE2 4.1Å; L604-F611 HydrophobicContact CD2-CD2 3.98Å; L604-F611 HydrophobicContact CD2-CE2 3.93Å; L604-F611 HydrophobicContact CG-CD2 4.34Å; L604-F611 HydrophobicContact CG-CE2 4.47Å; L604-W612 CarbonylContact C-O 3.57Å; L604-W612 VanDerWaalsContact CA-O 3.27Å; L604-W612 WeakPolarHBondContact CA-O 3.36Å; L604-R613 HydrophobicContact CD2-CB 3.8Å; L604-R613 HydrophobicContact CD2-CG 3.79Å; L604-F633 HydrophobicContact CD1-CE2 4.3Å; L604-F633 HydrophobicContact CD1-CZ 3.74Å
605	L	96.5	Very high	91.5	Very high	2 Å²	2	33.9 Å²	33.9	1%	0.01	18%	0.179	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-99.7	125.1	176.7	-56.6	-180	0	0	0	107.9	F550 F561 L583 L585 V592 A595 V603 F611 W612 F614 I621	F550-L605 HydrophobicContact CD1-CD2 4.33Å; F550-L605 HydrophobicContact CE1-CD2 3.96Å; F561-L605 HydrophobicContact CZ-CD2 4.26Å; L583-L605 HydrophobicContact CD1-CD1 4.35Å; L585-L605 HydrophobicContact CD1-CD1 4.02Å; V592-L605 HydrophobicContact CG1-CB 4.05Å; V592-L605 HydrophobicContact CG1-CD2 4.23Å; A595-L605 HydrophobicContact CB-CD2 4.01Å; V603-L605 HydrophobicContact CG1-CD2 3.75Å; L605-F611 CarbonylContact O-C 3.48Å; L605-F611 WeakPolarHBondContact O-CA 3.19Å; L605-F611 WeakPolarHBondContact O-CB 3.46Å; L605-W612 PolarHBondContact N-O 2.83Å; L605-W612 PolarHBondContact O-N 2.98Å; L605-F614 HydrophobicContact CD1-CB 3.9Å; L605-F614 HydrophobicContact CD1-CG 4.3Å; L605-F614 HydrophobicContact CG-CB 4.13Å; L605-I621 HydrophobicContact CD1-CD1 4.44Å
606	F	95.5	Very high	91.3	Very high	4 Å²	4	34.6 Å²	34.6	2%	0.018	18%	0.182	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-103.1	135.7	-177.1	-67.2	-99.9	0	0	0	109.6	V592 E593 G594 L596 L604 F611 T629 F633 V643 F652	V592-F606 CarbonylContact C-O 3.48Å; V592-F606 WeakPolarHBondContact CA-O 3.06Å; E593-F606 PolarHBondContact N-O 3.45Å; G594-F606 PolarHBondContact N-O 2.78Å; G594-F606 PolarHBondContact O-N 3.2Å; L596-F606 HydrophobicContact CB-CE2 4.02Å; L596-F606 HydrophobicContact CD1-CE2 3.51Å; L596-F606 HydrophobicContact CD1-CZ 3.62Å; L596-F606 HydrophobicContact CG-CD2 4.41Å; L596-F606 HydrophobicContact CG-CE2 3.59Å; L596-F606 HydrophobicContact CG-CZ 4.24Å; L604-F606 HydrophobicContact CB-CD2 4.47Å; L604-F606 HydrophobicContact CB-CE2 3.66Å; L604-F606 HydrophobicContact CB-CZ 4.14Å; L604-F606 HydrophobicContact CD1-CZ 4.48Å; F606-F611 HydrophobicContact CD1-CB 3.61Å; F606-F611 HydrophobicContact CD1-CG 4.41Å; F606-F611 HydrophobicContact CD2-CB 4.42Å; F606-F611 HydrophobicContact CE1-CB 3.71Å; F606-F611 HydrophobicContact CE1-CD1 4.25Å; F606-F611 HydrophobicContact CE1-CG 4.03Å; F606-F611 HydrophobicContact CE2-CB 4.48Å; F606-F611 HydrophobicContact CG-CB 3.98Å; F606-F611 HydrophobicContact CZ-CB 4.16Å; F606-F611 HydrophobicContact CZ-CG 4.34Å; F606-T629 HydrophobicContact CD1-CG2 4.36Å; F606-T629 HydrophobicContact CE1-CG2 4.13Å; F606-F633 HydrophobicContact CE1-CD2 4.03Å; F606-F633 AromaticContact CE1-CE2 3.75Å; F606-F633 HydrophobicContact CE1-CE2 3.75Å; F606-F633 HydrophobicContact CE1-CZ 4.42Å; F606-F633 HydrophobicContact CZ-CD2 4.27Å; F606-F633 AromaticContact CZ-CE2 3.6Å; F606-F633 HydrophobicContact CZ-CE2 3.6Å; F606-F633 AromaticContact CZ-CZ 3.85Å; F606-F633 HydrophobicContact CZ-CZ 3.85Å; F606-V643 HydrophobicContact CB-CB 4.48Å; F606-V643 HydrophobicContact CB-CG2 4.15Å; F606-V643 HydrophobicContact CD1-CG1 4.5Å; F606-V643 HydrophobicContact CD1-CG2 4.27Å; F606-V643 HydrophobicContact CD2-CB 4.07Å; F606-V643 HydrophobicContact CD2-CG1 4.02Å; F606-V643 HydrophobicContact CD2-CG2 4.47Å; F606-V643 HydrophobicContact CE1-CG1 4.45Å; F606-V643 HydrophobicContact CE2-CG1 3.98Å; F606-V643 HydrophobicContact CG-CB 4.15Å; F606-V643 HydrophobicContact CG-CG1 4.3Å; F606-V643 HydrophobicContact CG-CG2 4.04Å; F606-V643 HydrophobicContact CZ-CG1 4.2Å; F606-F652 HydrophobicContact CD1-CE1 4.38Å; F606-F652 HydrophobicContact CE1-CE1 4.01Å; F606-F652 HydrophobicContact CE1-CZ 4.3Å
607	S	93.2	Very high	90.9	Very high	20 Å²	20	42 Å²	42	14%	0.14	21%	0.214	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-148.9	115.5	171.9	168.7	0	0	0	0	108.8	K591 E609 N610	K591-S607 WeakPolarHBondContact O-CB 3.45Å; K591-S607 PolarHBondContact O-OG 3.16Å; S607-E609 PolarHBondContact O-N 3.49Å; S607-N610 PolarHBondContact N-O 3.47Å; S607-N610 PolarHBondContact O-N 2.67Å
608	G	85.6	Confident	90.8	Very high	30 Å²	30	45.3 Å²	45.3	31%	0.309	24%	0.236	S	C	.	.	T	Hydrogen-bonded Turn	trans	52.8	-132	-170.1	0	0	0	0	0	110.9	E593 N610 N638	E593-G608 WeakPolarHBondContact OE2-CA 3.46Å; E593-G608 PolarHBondContact OE2-N 3Å; G608-N610 PolarHBondContact O-N 3.1Å; G608-N638 CarbonylContact C-O 3.58Å; G608-N638 VanDerWaalsContact C-O 3.26Å
609	E	84.1	Confident	90.7	Very high	54 Å²	54	45 Å²	45	25%	0.252	24%	0.239	S	C	.	.	T	Hydrogen-bonded Turn	trans	-81.5	0.6	-176.2	-52.9	-177.8	170.2	0	0	114.1	K70 S607 Y628 T629 N638	K70-E609 WeakPolarHBondContact CD-OE1 3.41Å; K70-E609 WeakPolarHBondContact CE-OE1 3.44Å; K70-E609 IonicContact NZ-OE1 3.03Å; K70-E609 PolarHBondContact NZ-OE1 3.33Å; K70-E609 IonicContact NZ-OE2 2.74Å; K70-E609 PolarHBondContact NZ-OE2 3.01Å; S607-E609 PolarHBondContact O-N 3.49Å; E609-Y628 CarbonylContact O-C 3.57Å; E609-Y628 WeakPolarHBondContact O-CA 3.39Å; E609-T629 PolarHBondContact O-N 2.98Å; E609-T629 PolarHBondContact O-OG1 2.85Å; E609-N638 VanDerWaalsContact CA-O 3.23Å; E609-N638 WeakPolarHBondContact CA-O 3.27Å; E609-N638 HydrophobicContact CB-CB 4.24Å; E609-N638 HydrophobicContact CG-CB 3.87Å; E609-N638 PolarHBondContact N-O 2.73Å
610	N	91.8	Very high	90.9	Very high	41 Å²	41	43 Å²	43	22%	0.219	22%	0.219	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-115.5	153.9	-174	-72.1	-52.5	0	0	0	110.8	S607 G608 W612 P626 K627	S607-N610 PolarHBondContact N-O 3.47Å; S607-N610 PolarHBondContact O-N 2.67Å; G608-N610 PolarHBondContact O-N 3.1Å; N610-W612 HydrophobicContact CB-CE3 4.4Å; N610-W612 HydrophobicContact CB-CH2 3.41Å; N610-W612 VanDerWaalsContact CB-CH2 3.41Å; N610-W612 HydrophobicContact CB-CZ2 4.2Å; N610-W612 HydrophobicContact CB-CZ3 3.52Å; N610-P626 HydrophobicContact CB-CB 3.82Å; N610-K627 CarbonylContact C-O 3.55Å; N610-K627 WeakPolarHBondContact CA-O 3.38Å
611	F	94	Very high	91.4	Very high	3 Å²	3	37.1 Å²	37.1	1%	0.013	20%	0.195	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-134.5	152.4	165.7	74.7	-84.7	0	0	0	111.3	L604 L605 F606 Y625 K627 Y628 I632 F633	L604-F611 HydrophobicContact CB-CD2 4.13Å; L604-F611 HydrophobicContact CD1-CD2 4.24Å; L604-F611 HydrophobicContact CD1-CE2 4.1Å; L604-F611 HydrophobicContact CD2-CD2 3.98Å; L604-F611 HydrophobicContact CD2-CE2 3.93Å; L604-F611 HydrophobicContact CG-CD2 4.34Å; L604-F611 HydrophobicContact CG-CE2 4.47Å; L605-F611 CarbonylContact O-C 3.48Å; L605-F611 WeakPolarHBondContact O-CA 3.19Å; L605-F611 WeakPolarHBondContact O-CB 3.46Å; F606-F611 HydrophobicContact CD1-CB 3.61Å; F606-F611 HydrophobicContact CD1-CG 4.41Å; F606-F611 HydrophobicContact CD2-CB 4.42Å; F606-F611 HydrophobicContact CE1-CB 3.71Å; F606-F611 HydrophobicContact CE1-CD1 4.25Å; F606-F611 HydrophobicContact CE1-CG 4.03Å; F606-F611 HydrophobicContact CE2-CB 4.48Å; F606-F611 HydrophobicContact CG-CB 3.98Å; F606-F611 HydrophobicContact CZ-CB 4.16Å; F606-F611 HydrophobicContact CZ-CG 4.34Å; F611-Y625 HydrophobicContact CD2-CE1 4.1Å; F611-Y625 HydrophobicContact CE2-CD1 4.38Å; F611-Y625 AromaticContact CE2-CE1 3.62Å; F611-Y625 HydrophobicContact CE2-CE1 3.62Å; F611-Y625 HydrophobicContact CZ-CE1 4.28Å; F611-Y625 WeakPolarHBondContact O-CD1 3.26Å; F611-K627 HydrophobicContact CD1-CB 4.3Å; F611-K627 WeakPolarHBondContact CD1-O 3.48Å; F611-K627 HydrophobicContact CE1-CB 3.7Å; F611-K627 HydrophobicContact CZ-CB 3.83Å; F611-K627 HydrophobicContact CZ-CD 4.42Å; F611-K627 PolarHBondContact N-O 2.91Å; F611-K627 PolarHBondContact O-N 2.79Å; F611-Y628 WeakPolarHBondContact CE1-O 3.22Å; F611-I632 HydrophobicContact CE1-CB 3.98Å; F611-I632 HydrophobicContact CE1-CG1 3.95Å; F611-I632 HydrophobicContact CE1-CG2 4.49Å; F611-I632 HydrophobicContact CZ-CB 4.01Å; F611-I632 HydrophobicContact CZ-CG1 3.84Å; F611-I632 HydrophobicContact CZ-CG2 4.11Å; F611-F633 HydrophobicContact CD1-CE2 4.19Å; F611-F633 HydrophobicContact CE1-CD2 4.28Å; F611-F633 AromaticContact CE1-CE2 3.95Å; F611-F633 HydrophobicContact CE1-CE2 3.95Å; F611-F633 HydrophobicContact CE2-CE2 4.42Å; F611-F633 HydrophobicContact CZ-CE2 4.07Å
612	W	96.1	Very high	91.7	Very high	11 Å²	11	37.4 Å²	37.4	4%	0.042	20%	0.195	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-119.5	148.8	177.9	-65.8	-103.8	0	0	0	109.3	L585 P586 V589 L604 L605 N610 I621 P626	L585-W612 HydrophobicContact CD2-CB 3.72Å; L585-W612 HydrophobicContact CD2-CD2 3.51Å; L585-W612 HydrophobicContact CD2-CE3 3.95Å; L585-W612 HydrophobicContact CD2-CG 3.43Å; L585-W612 VanDerWaalsContact CD2-CG 3.43Å; P586-W612 HydrophobicContact CG-CZ2 4.04Å; V589-W612 HydrophobicContact CG2-CH2 3.32Å; V589-W612 HydrophobicContact CG2-CZ2 3.37Å; V589-W612 HydrophobicContact CG2-CZ3 3.96Å; L604-W612 CarbonylContact C-O 3.57Å; L604-W612 VanDerWaalsContact CA-O 3.27Å; L604-W612 WeakPolarHBondContact CA-O 3.36Å; L605-W612 PolarHBondContact N-O 2.83Å; L605-W612 PolarHBondContact O-N 2.98Å; N610-W612 HydrophobicContact CB-CE3 4.4Å; N610-W612 HydrophobicContact CB-CH2 3.41Å; N610-W612 VanDerWaalsContact CB-CH2 3.41Å; N610-W612 HydrophobicContact CB-CZ2 4.2Å; N610-W612 HydrophobicContact CB-CZ3 3.52Å; W612-I621 HydrophobicContact CB-CD1 3.71Å; W612-I621 HydrophobicContact CB-CG1 4.16Å; W612-I621 HydrophobicContact CB-CG2 4.09Å; W612-I621 HydrophobicContact CG-CG2 4.38Å; W612-P626 HydrophobicContact CD2-CB 4.15Å; W612-P626 HydrophobicContact CH2-CB 4.21Å; W612-P626 HydrophobicContact CZ2-CB 3.64Å; W612-P626 HydrophobicContact CZ2-CG 3.99Å
613	R	96.3	Very high	91.5	Very high	71 Å²	71	45.2 Å²	45.2	27%	0.268	23%	0.228	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-101.8	105	175.1	-173.5	170.6	71.8	-164.3	2.5	109.9	K602 V603 L604 D622 Y625	K602-R613 HydrophobicContact CB-CG 4.26Å; K602-R613 HydrophobicContact CD-CG 4.3Å; V603-R613 CarbonylContact O-C 3.6Å; V603-R613 WeakPolarHBondContact O-CA 3.28Å; L604-R613 HydrophobicContact CD2-CB 3.8Å; L604-R613 HydrophobicContact CD2-CG 3.79Å; R613-D622 IonicContact CZ-OD2 3.1Å; R613-D622 IonicContact NE-OD2 2.67Å; R613-D622 PolarHBondContact NE-OD2 3.5Å; R613-D622 IonicContact NH2-OD2 2.75Å; R613-D622 PolarHBondContact NH2-OD2 3.28Å; R613-D622 PolarHBondContact O-N 3.27Å; R613-Y625 HydrophobicContact CB-CD1 4.25Å; R613-Y625 HydrophobicContact CB-CD2 3.99Å; R613-Y625 HydrophobicContact CB-CE1 3.73Å; R613-Y625 HydrophobicContact CB-CE2 3.46Å; R613-Y625 VanDerWaalsContact CB-CE2 3.46Å; R613-Y625 HydrophobicContact CB-CG 4.36Å; R613-Y625 WeakPolarHBondContact CD-OH 3.4Å; R613-Y625 HydrophobicContact CG-CE2 4.47Å; R613-Y625 PolarHBondContact NE-OH 2.96Å; R613-Y625 PolarHBondContact NH1-OH 3.08Å
614	F	95.2	Very high	90.9	Very high	1 Å²	1	48 Å²	48	0%	0.004	26%	0.257	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-83.3	132.4	174.7	-179	-121.8	0	0	0	111	L583 K602 V603 L605 L616 Q619 I621	L583-F614 HydrophobicContact CB-CD2 4.11Å; L583-F614 HydrophobicContact CB-CE2 3.85Å; L583-F614 HydrophobicContact CD2-CE1 4.37Å; L583-F614 HydrophobicContact CD2-CE2 3.73Å; L583-F614 HydrophobicContact CD2-CZ 3.6Å; L583-F614 HydrophobicContact CG-CE2 4.36Å; K602-F614 CarbonylContact C-O 3.53Å; K602-F614 WeakPolarHBondContact CA-O 3.49Å; V603-F614 HydrophobicContact CB-CB 4.45Å; V603-F614 HydrophobicContact CB-CD1 4.46Å; V603-F614 PolarHBondContact N-O 3.39Å; V603-F614 PolarHBondContact O-N 2.76Å; L605-F614 HydrophobicContact CD1-CB 3.9Å; L605-F614 HydrophobicContact CD1-CG 4.3Å; L605-F614 HydrophobicContact CG-CB 4.13Å; F614-L616 HydrophobicContact CD1-CD2 4.18Å; F614-L616 HydrophobicContact CD1-CG 4.48Å; F614-L616 HydrophobicContact CE1-CD2 3.74Å; F614-L616 HydrophobicContact CE1-CG 4.37Å; F614-Q619 HydrophobicContact CZ-CB 4.41Å; F614-I621 HydrophobicContact CB-CD1 3.73Å; F614-I621 HydrophobicContact CD2-CD1 4.09Å; F614-I621 HydrophobicContact CG-CD1 4.39Å
615	D	91.5	Very high	90.6	Very high	18 Å²	18	49.3 Å²	49.3	10%	0.096	26%	0.262	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-98.2	118	170.6	-166.5	-28.5	0	0	0	110.6	K602 K617 T618 Q619 G620	K602-D615 HydrophobicContact CD-CB 3.92Å; K602-D615 VanDerWaalsContact CE-OD2 3.23Å; K602-D615 WeakPolarHBondContact CE-OD2 3.41Å; K602-D615 VanDerWaalsContact NZ-CB 3.26Å; K602-D615 IonicContact NZ-OD2 2.61Å; K602-D615 PolarHBondContact NZ-OD2 2.75Å; D615-K617 PolarHBondContact O-N 2.81Å; D615-K617 WeakPolarHBondContact OD1-CB 3.46Å; D615-K617 PolarHBondContact OD1-N 3.27Å; D615-T618 WeakPolarHBondContact CB-OG1 3.31Å; D615-Q619 WeakPolarHBondContact O-CA 3.42Å; D615-Q619 PolarHBondContact O-N 2.86Å; D615-G620 PolarHBondContact N-O 2.92Å; D615-G620 PolarHBondContact O-N 2.83Å
616	L	89.4	Confident	90.4	Very high	22 Å²	22	52.3 Å²	52.3	12%	0.115	28%	0.282	C	S	.	.	T	Hydrogen-bonded Turn	trans	-66.3	-23.5	178.6	-71.1	162.8	0	0	0	113	F550 D552 Y559 S601 V603 F614	F550-L616 HydrophobicContact CE2-CD2 4.15Å; F550-L616 HydrophobicContact CZ-CD2 4.29Å; D552-L616 HydrophobicContact CB-CD1 4.31Å; Y559-L616 HydrophobicContact CE2-CD2 4.26Å; S601-L616 PolarHBondContact O-N 2.96Å; V603-L616 HydrophobicContact CG2-CD1 3.74Å; V603-L616 HydrophobicContact CG2-CD2 4.27Å; V603-L616 HydrophobicContact CG2-CG 3.96Å; F614-L616 HydrophobicContact CD1-CD2 4.18Å; F614-L616 HydrophobicContact CD1-CG 4.48Å; F614-L616 HydrophobicContact CE1-CD2 3.74Å; F614-L616 HydrophobicContact CE1-CG 4.37Å
617	K	85.9	Confident	90.1	Very high	162 Å²	162	56.2 Å²	56.2	70%	0.704	30%	0.299	S	S	*	.	T	Hydrogen-bonded Turn	trans	-80.6	-47.5	179.7	-67.1	179.2	176.5	-173.2	0	112.1	D615 Q619	D615-K617 PolarHBondContact O-N 2.81Å; D615-K617 WeakPolarHBondContact OD1-CB 3.46Å; D615-K617 PolarHBondContact OD1-N 3.27Å; K617-Q619 VanDerWaalsContact C-N 3.31Å
618	T	86.2	Confident	89.6	Confident	101 Å²	101	60.8 Å²	60.8	62%	0.62	31%	0.314	S	S	*	.	T	Hydrogen-bonded Turn	trans	-87.4	-8.3	179.7	64.9	0	0	0	0	112.2	D615 G620	D615-T618 WeakPolarHBondContact CB-OG1 3.31Å; T618-G620 VanDerWaalsContact C-N 3.25Å; T618-G620 PolarHBondContact O-N 2.76Å
619	Q	84.7	Confident	89.5	Confident	113 Å²	113	59.5 Å²	59.5	53%	0.528	30%	0.3	S	S	.	.	T	Hydrogen-bonded Turn	trans	51.3	43.8	-175.6	-55.2	-162	-67.5	0	0	112.6	F614 D615 K617	F614-Q619 HydrophobicContact CZ-CB 4.41Å; D615-Q619 WeakPolarHBondContact O-CA 3.42Å; D615-Q619 PolarHBondContact O-N 2.86Å; K617-Q619 VanDerWaalsContact C-N 3.31Å
620	G	89.2	Confident	89.1	Confident	18 Å²	18	60.5 Å²	60.5	19%	0.186	31%	0.307	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-149.1	161.1	179.8	0	0	0	0	0	113.1	L583 D615 T618	L583-G620 CarbonylContact O-C 3.52Å; L583-G620 VanDerWaalsContact O-CA 3.31Å; L583-G620 WeakPolarHBondContact O-CA 3.27Å; D615-G620 PolarHBondContact N-O 2.92Å; D615-G620 PolarHBondContact O-N 2.83Å; T618-G620 VanDerWaalsContact C-N 3.25Å; T618-G620 PolarHBondContact O-N 2.76Å
621	I	94.6	Very high	88.4	Confident	36 Å²	36	61.9 Å²	61.9	19%	0.185	32%	0.324	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-72.1	136.1	170.7	-66.2	-44.5	0	0	0	110.3	L583 G584 L585 L605 W612 F614	L583-I621 VanDerWaalsContact O-CG1 3.32Å; L583-I621 WeakPolarHBondContact O-CG1 3.2Å; L583-I621 PolarHBondContact O-N 2.66Å; G584-I621 VanDerWaalsContact C-CG1 3.42Å; G584-I621 VanDerWaalsContact O-CG1 3.27Å; G584-I621 WeakPolarHBondContact O-CG1 3.47Å; L585-I621 HydrophobicContact CD2-CD1 4.09Å; L585-I621 HydrophobicContact CD2-CG1 4.11Å; L585-I621 HydrophobicContact CG-CD1 4.32Å; L585-I621 HydrophobicContact CG-CG1 4.23Å; L605-I621 HydrophobicContact CD1-CD1 4.44Å; W612-I621 HydrophobicContact CB-CD1 3.71Å; W612-I621 HydrophobicContact CB-CG1 4.16Å; W612-I621 HydrophobicContact CB-CG2 4.09Å; W612-I621 HydrophobicContact CG-CG2 4.38Å; F614-I621 HydrophobicContact CB-CD1 3.73Å; F614-I621 HydrophobicContact CD2-CD1 4.09Å; F614-I621 HydrophobicContact CG-CD1 4.39Å
622	D	91.4	Very high	87.8	Confident	30 Å²	30	64.4 Å²	64.4	16%	0.16	34%	0.337	C	S	.	.	P	Polyproline II helix	trans	-67.8	147.7	174	-78.1	-9.1	0	0	0	112.3	K602 R613 Y625	K602-D622 IonicContact NZ-OD1 2.75Å; K602-D622 PolarHBondContact NZ-OD1 3.09Å; K602-D622 IonicContact NZ-OD2 2.83Å; K602-D622 PolarHBondContact NZ-OD2 2.82Å; R613-D622 IonicContact CZ-OD2 3.1Å; R613-D622 IonicContact NE-OD2 2.67Å; R613-D622 PolarHBondContact NE-OD2 3.5Å; R613-D622 IonicContact NH2-OD2 2.75Å; R613-D622 PolarHBondContact NH2-OD2 3.28Å; R613-D622 PolarHBondContact O-N 3.27Å; D622-Y625 HydrophobicContact CB-CD2 4.06Å; D622-Y625 HydrophobicContact CB-CE2 4.07Å; D622-Y625 WeakPolarHBondContact O-CD2 3.38Å
623	K	88.8	Confident	87.1	Confident	206 Å²	206	64 Å²	64	90%	0.896	34%	0.336	S	S	*	.	S	Bend	trans	-59.6	144.6	172.1	-62.4	-174.3	179.5	-174.8	0	111.8
624	G	84.5	Confident	86.1	Confident	59 Å²	59	62.6 Å²	62.6	61%	0.608	34%	0.343	S	S	*	.	S	Bend	trans	87.1	23.8	179.2	0	0	0	0	0	114.8	K627	G624-K627 WeakPolarHBondContact O-CE 3.13Å
625	Y	88.9	Confident	84.8	Confident	34 Å²	34	65.4 Å²	65.4	13%	0.133	37%	0.372	C	S	.	.			trans	-121.6	153.5	170.6	-72.2	-89.3	0	0	0	109.3	F611 R613 D622 K627	F611-Y625 HydrophobicContact CD2-CE1 4.1Å; F611-Y625 HydrophobicContact CE2-CD1 4.38Å; F611-Y625 AromaticContact CE2-CE1 3.62Å; F611-Y625 HydrophobicContact CE2-CE1 3.62Å; F611-Y625 HydrophobicContact CZ-CE1 4.28Å; F611-Y625 WeakPolarHBondContact O-CD1 3.26Å; R613-Y625 HydrophobicContact CB-CD1 4.25Å; R613-Y625 HydrophobicContact CB-CD2 3.99Å; R613-Y625 HydrophobicContact CB-CE1 3.73Å; R613-Y625 HydrophobicContact CB-CE2 3.46Å; R613-Y625 VanDerWaalsContact CB-CE2 3.46Å; R613-Y625 HydrophobicContact CB-CG 4.36Å; R613-Y625 WeakPolarHBondContact CD-OH 3.4Å; R613-Y625 HydrophobicContact CG-CE2 4.47Å; R613-Y625 PolarHBondContact NE-OH 2.96Å; R613-Y625 PolarHBondContact NH1-OH 3.08Å; D622-Y625 HydrophobicContact CB-CD2 4.06Å; D622-Y625 HydrophobicContact CB-CE2 4.07Å; D622-Y625 WeakPolarHBondContact O-CD2 3.38Å; Y625-K627 HydrophobicContact CD1-CB 4.28Å; Y625-K627 HydrophobicContact CD1-CD 4.33Å; Y625-K627 HydrophobicContact CD1-CG 3.88Å; Y625-K627 HydrophobicContact CE1-CB 4.37Å; Y625-K627 HydrophobicContact CE1-CD 3.89Å; Y625-K627 HydrophobicContact CE1-CG 3.94Å
626	P	92.5	Very high	84.2	Confident	65 Å²	65	65.1 Å²	65.1	42%	0.422	37%	0.371	S	S	.	.			cis	-69.8	162.9	9.4	25	-31.5	0	0	0	115	N610 W612	N610-P626 HydrophobicContact CB-CB 3.82Å; W612-P626 HydrophobicContact CD2-CB 4.15Å; W612-P626 HydrophobicContact CH2-CB 4.21Å; W612-P626 HydrophobicContact CZ2-CB 3.64Å; W612-P626 HydrophobicContact CZ2-CG 3.99Å
627	K	87.8	Confident	83.2	Confident	86 Å²	86	64.6 Å²	64.6	37%	0.374	37%	0.369	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-125.1	146.1	163.4	-68.1	-170.1	177.2	-164.3	0	109.5	N610 F611 G624 Y625	N610-K627 CarbonylContact C-O 3.55Å; N610-K627 WeakPolarHBondContact CA-O 3.38Å; F611-K627 HydrophobicContact CD1-CB 4.3Å; F611-K627 WeakPolarHBondContact CD1-O 3.48Å; F611-K627 HydrophobicContact CE1-CB 3.7Å; F611-K627 HydrophobicContact CZ-CB 3.83Å; F611-K627 HydrophobicContact CZ-CD 4.42Å; F611-K627 PolarHBondContact N-O 2.91Å; F611-K627 PolarHBondContact O-N 2.79Å; G624-K627 WeakPolarHBondContact O-CE 3.13Å; Y625-K627 HydrophobicContact CD1-CB 4.28Å; Y625-K627 HydrophobicContact CD1-CD 4.33Å; Y625-K627 HydrophobicContact CD1-CG 3.88Å; Y625-K627 HydrophobicContact CE1-CB 4.37Å; Y625-K627 HydrophobicContact CE1-CD 3.89Å; Y625-K627 HydrophobicContact CE1-CG 3.94Å
628	Y	83.3	Confident	82.3	Confident	115 Å²	115	58.8 Å²	58.8	45%	0.451	35%	0.346	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-65.4	137.3	173.3	-64.8	-78.9	0	0	0	111.1	E609 F611 D630 A631	E609-Y628 CarbonylContact O-C 3.57Å; E609-Y628 WeakPolarHBondContact O-CA 3.39Å; F611-Y628 WeakPolarHBondContact CE1-O 3.22Å; Y628-D630 VanDerWaalsContact CB-OD1 3.32Å; Y628-D630 WeakPolarHBondContact CB-OD1 3.37Å; Y628-A631 PolarHBondContact O-N 2.85Å
629	T	82.6	Confident	81.6	Confident	3 Å²	3	58 Å²	58	2%	0.018	34%	0.338	C	S	.	.	S	Bend	trans	-62.3	-48	-178.8	-67	0	0	0	0	110.9	F606 E609 A631 I632 F633 V636 F652	F606-T629 HydrophobicContact CD1-CG2 4.36Å; F606-T629 HydrophobicContact CE1-CG2 4.13Å; E609-T629 PolarHBondContact O-N 2.98Å; E609-T629 PolarHBondContact O-OG1 2.85Å; T629-A631 VanDerWaalsContact C-N 3.3Å; T629-A631 PolarHBondContact O-N 2.82Å; T629-I632 PolarHBondContact O-N 2.84Å; T629-I632 VanDerWaalsContact O-N 3.16Å; T629-F633 HydrophobicContact CG2-CB 4.21Å; T629-F633 HydrophobicContact CG2-CD2 4.15Å; T629-F633 WeakPolarHBondContact O-CA 3.36Å; T629-F633 WeakPolarHBondContact O-CB 3.39Å; T629-F633 WeakPolarHBondContact O-CD2 3.4Å; T629-F633 PolarHBondContact O-N 3.18Å; T629-V636 HydrophobicContact CG2-CG2 4.32Å; T629-F652 HydrophobicContact CG2-CE1 3.91Å
630	D	76.6	Confident	81.5	Confident	75 Å²	75	52.9 Å²	52.9	40%	0.401	32%	0.315	S	S	.	.	T	Hydrogen-bonded Turn	trans	-61.3	-32.4	178.4	49.8	13.6	0	0	0	114.4	Y628 I632 G634 N638	Y628-D630 VanDerWaalsContact CB-OD1 3.32Å; Y628-D630 WeakPolarHBondContact CB-OD1 3.37Å; D630-I632 PolarHBondContact O-N 2.83Å; D630-I632 VanDerWaalsContact O-N 3.11Å; D630-G634 PolarHBondContact O-N 3.02Å; D630-N638 VanDerWaalsContact CB-OD1 3.25Å; D630-N638 WeakPolarHBondContact CB-OD1 3.28Å; D630-N638 PolarHBondContact OD2-ND2 2.85Å
631	A	77.8	Confident	81.2	Confident	70 Å²	70	53 Å²	53	58%	0.579	31%	0.311	S	S	*	.	T	Hydrogen-bonded Turn	trans	-61.1	-23.5	179.2	0	0	0	0	0	112.2	Y628 T629	Y628-A631 PolarHBondContact O-N 2.85Å; T629-A631 VanDerWaalsContact C-N 3.3Å; T629-A631 PolarHBondContact O-N 2.82Å
632	I	80.6	Confident	81.1	Confident	56 Å²	56	51.3 Å²	51.3	29%	0.287	30%	0.302	S	S	.	.	T	Hydrogen-bonded Turn	trans	-121.8	-30.8	-173.8	-59.3	-63.2	0	0	0	112.3	F611 T629 D630 R665	F611-I632 HydrophobicContact CE1-CB 3.98Å; F611-I632 HydrophobicContact CE1-CG1 3.95Å; F611-I632 HydrophobicContact CE1-CG2 4.49Å; F611-I632 HydrophobicContact CZ-CB 4.01Å; F611-I632 HydrophobicContact CZ-CG1 3.84Å; F611-I632 HydrophobicContact CZ-CG2 4.11Å; T629-I632 PolarHBondContact O-N 2.84Å; T629-I632 VanDerWaalsContact O-N 3.16Å; D630-I632 PolarHBondContact O-N 2.83Å; D630-I632 VanDerWaalsContact O-N 3.11Å; I632-R665 VanDerWaalsContact CG2-NH1 3.27Å
633	F	82.4	Confident	81.2	Confident	3 Å²	3	50.1 Å²	50.1	1%	0.013	30%	0.296	C	S	.	.	S	Bend	trans	-118.4	68.9	179.7	-56.4	-82.1	0	0	0	108.6	L596 L604 F606 F611 T629 V636 I650 F652 M661	L596-F633 HydrophobicContact CD1-CE1 4.48Å; L596-F633 HydrophobicContact CD1-CZ 4.47Å; L604-F633 HydrophobicContact CD1-CE2 4.3Å; L604-F633 HydrophobicContact CD1-CZ 3.74Å; F606-F633 HydrophobicContact CE1-CD2 4.03Å; F606-F633 AromaticContact CE1-CE2 3.75Å; F606-F633 HydrophobicContact CE1-CE2 3.75Å; F606-F633 HydrophobicContact CE1-CZ 4.42Å; F606-F633 HydrophobicContact CZ-CD2 4.27Å; F606-F633 AromaticContact CZ-CE2 3.6Å; F606-F633 HydrophobicContact CZ-CE2 3.6Å; F606-F633 AromaticContact CZ-CZ 3.85Å; F606-F633 HydrophobicContact CZ-CZ 3.85Å; F611-F633 HydrophobicContact CD1-CE2 4.19Å; F611-F633 HydrophobicContact CE1-CD2 4.28Å; F611-F633 AromaticContact CE1-CE2 3.95Å; F611-F633 HydrophobicContact CE1-CE2 3.95Å; F611-F633 HydrophobicContact CE2-CE2 4.42Å; F611-F633 HydrophobicContact CZ-CE2 4.07Å; T629-F633 HydrophobicContact CG2-CB 4.21Å; T629-F633 HydrophobicContact CG2-CD2 4.15Å; T629-F633 WeakPolarHBondContact O-CA 3.36Å; T629-F633 WeakPolarHBondContact O-CB 3.39Å; T629-F633 WeakPolarHBondContact O-CD2 3.4Å; T629-F633 PolarHBondContact O-N 3.18Å; F633-V636 HydrophobicContact CB-CG2 3.99Å; F633-V636 VanDerWaalsContact O-CG2 3.28Å; F633-V636 WeakPolarHBondContact O-CG2 3.44Å; F633-I650 HydrophobicContact CE1-CD1 4.17Å; F633-F652 HydrophobicContact CB-CE2 4.44Å; F633-F652 HydrophobicContact CB-CZ 3.94Å; F633-F652 HydrophobicContact CD1-CE2 4.27Å; F633-F652 AromaticContact CD1-CZ 3.89Å; F633-F652 HydrophobicContact CD1-CZ 3.89Å; F633-F652 HydrophobicContact CD2-CZ 4.34Å; F633-F652 HydrophobicContact CE1-CZ 4.49Å; F633-F652 HydrophobicContact CG-CE2 4.48Å; F633-F652 AromaticContact CG-CZ 3.81Å; F633-F652 HydrophobicContact CG-CZ 3.81Å; F633-M661 HydrophobicContact CB-CE 4.17Å; F633-M661 HydrophobicContact CB-SD 4.42Å; F633-M661 HydrophobicContact CD1-SD 3.86Å
634	G	73.6	Confident	81.5	Confident	41 Å²	41	40.5 Å²	40.5	42%	0.423	25%	0.254	S	S	.	.	T	Hydrogen-bonded Turn	trans	-64.4	140.9	179.7	0	0	0	0	0	112.7	D630 M661	D630-G634 PolarHBondContact O-N 3.02Å; G634-M661 WeakPolarHBondContact O-CE 3.39Å
635	G	69.1	Low	81.8	Confident	60 Å²	60	41.7 Å²	41.7	62%	0.619	24%	0.244	S	C	*	.	T	Hydrogen-bonded Turn	trans	88.5	6.7	173.3	0	0	0	0	0	115.9	V667	G635-V667 WeakPolarHBondContact O-CG2 3.43Å
636	V	77.4	Confident	81.8	Confident	12 Å²	12	41 Å²	41	7%	0.073	24%	0.241	C	C	.	.	S	Bend	trans	-110.8	158.6	174.2	-53.9	0	0	0	0	110.1	T629 F633 N638 F652 W659 M661 V667	T629-V636 HydrophobicContact CG2-CG2 4.32Å; F633-V636 HydrophobicContact CB-CG2 3.99Å; F633-V636 VanDerWaalsContact O-CG2 3.28Å; F633-V636 WeakPolarHBondContact O-CG2 3.44Å; V636-N638 PolarHBondContact O-N 3.13Å; V636-F652 HydrophobicContact CB-CB 4.05Å; V636-F652 HydrophobicContact CB-CD1 4.22Å; V636-F652 HydrophobicContact CB-CD2 3.87Å; V636-F652 HydrophobicContact CB-CE2 4.36Å; V636-F652 HydrophobicContact CB-CG 3.79Å; V636-F652 HydrophobicContact CG1-CB 4.46Å; V636-F652 HydrophobicContact CG1-CD2 3.62Å; V636-F652 HydrophobicContact CG1-CE2 4.02Å; V636-F652 HydrophobicContact CG1-CG 4.07Å; V636-F652 HydrophobicContact CG2-CB 4.5Å; V636-F652 HydrophobicContact CG2-CD1 3.74Å; V636-F652 HydrophobicContact CG2-CD2 3.95Å; V636-F652 HydrophobicContact CG2-CE1 3.85Å; V636-F652 HydrophobicContact CG2-CE2 4.03Å; V636-F652 HydrophobicContact CG2-CG 3.8Å; V636-F652 HydrophobicContact CG2-CZ 3.99Å; V636-W659 HydrophobicContact CB-CB 4.39Å; V636-W659 HydrophobicContact CG1-CB 4.08Å; V636-M661 HydrophobicContact CG1-CE 3.43Å; V636-M661 VanDerWaalsContact CG1-CE 3.43Å; V636-V667 HydrophobicContact CG1-CG2 3.49Å; V636-V667 VanDerWaalsContact CG1-CG2 3.49Å
637	P	69.3	Low	81.5	Confident	11 Å²	11	43.8 Å²	43.8	7%	0.071	25%	0.247	C	C	.	.			trans	-62.1	134.7	173.7	22.6	-32.8	0	0	0	111.5	D639 A640 F652 R654 W659	P637-D639 WeakPolarHBondContact CB-OD1 3.25Å; P637-D639 PolarHBondContact O-N 2.86Å; P637-A640 HydrophobicContact CG-CB 4.22Å; P637-F652 HydrophobicContact CG-CB 4.36Å; P637-R654 HydrophobicContact CB-CB 4.26Å; P637-R654 HydrophobicContact CG-CB 4.03Å; P637-W659 VanDerWaalsContact CD-CD2 3.47Å; P637-W659 HydrophobicContact CG-CD2 4.05Å; P637-W659 HydrophobicContact CG-CE3 3.63Å; P637-W659 HydrophobicContact CG-CH2 4.48Å; P637-W659 HydrophobicContact CG-CZ3 3.89Å
638	N	68.1	Low	81.5	Confident	41 Å²	41	42 Å²	42	22%	0.219	25%	0.253	C	S	.	.	T	Hydrogen-bonded Turn	trans	-74.9	-17	176.3	-67.5	-11.7	0	0	0	112.3	G608 E609 D630 V636	G608-N638 CarbonylContact C-O 3.58Å; G608-N638 VanDerWaalsContact C-O 3.26Å; E609-N638 VanDerWaalsContact CA-O 3.23Å; E609-N638 WeakPolarHBondContact CA-O 3.27Å; E609-N638 HydrophobicContact CB-CB 4.24Å; E609-N638 HydrophobicContact CG-CB 3.87Å; E609-N638 PolarHBondContact N-O 2.73Å; D630-N638 VanDerWaalsContact CB-OD1 3.25Å; D630-N638 WeakPolarHBondContact CB-OD1 3.28Å; D630-N638 PolarHBondContact OD2-ND2 2.85Å; V636-N638 PolarHBondContact O-N 3.13Å
639	D	70.2	Confident	81.8	Confident	83 Å²	83	38 Å²	38	44%	0.444	24%	0.24	S	C	.	.	T	Hydrogen-bonded Turn	trans	-109.8	33.6	-179.4	62	-31.2	0	0	0	111.7	P637 H641 R654	P637-D639 WeakPolarHBondContact CB-OD1 3.25Å; P637-D639 PolarHBondContact O-N 2.86Å; D639-H641 PolarHBondContact O-N 2.8Å; D639-R654 VanDerWaalsContact CG-CD 3.48Å; D639-R654 WeakPolarHBondContact OD1-CD 3.27Å; D639-R654 IonicContact OD1-CZ 2.73Å; D639-R654 IonicContact OD1-NE 3.4Å; D639-R654 IonicContact OD1-NH1 3.79Å; D639-R654 PolarHBondContact OD1-NH1 3.28Å; D639-R654 WeakPolarHBondContact OD2-CD 3.49Å; D639-R654 IonicContact OD2-NH1 3Å
640	A	82.4	Confident	82.3	Confident	6 Å²	6	39.2 Å²	39.2	5%	0.05	25%	0.246	C	C	.	.			trans	-62.1	124.3	177.5	0	0	0	0	0	110.4	P637 D642 V643 F652 C653	P637-A640 HydrophobicContact CG-CB 4.22Å; A640-D642 VanDerWaalsContact C-N 3.32Å; A640-V643 HydrophobicContact CB-CG2 3.94Å; A640-F652 HydrophobicContact CB-CB 3.93Å; A640-F652 HydrophobicContact CB-CD1 3.84Å; A640-F652 HydrophobicContact CB-CG 4.4Å; A640-C653 CarbonylContact C-O 3.51Å; A640-C653 VanDerWaalsContact CA-O 3.23Å; A640-C653 WeakPolarHBondContact CA-O 3.32Å
641	H	83.3	Confident	83.1	Confident	21 Å²	21	36.5 Å²	36.5	10%	0.097	23%	0.23	C	C	.	.	S	Bend	trans	-78.6	-19.9	-180	64.5	48.3	0	0	0	112.8	E593 D639 C653 D655	E593-H641 VanDerWaalsContact O-O 3.05Å; D639-H641 PolarHBondContact O-N 2.8Å; H641-C653 PolarHBondContact N-O 3.44Å; H641-D655 PolarHBondContact CD2-N 2.87Å; H641-D655 PolarHBondContact NE2-N 2.78Å; H641-D655 PolarHBondContact NE2-O 2.88Å; H641-D655 VanDerWaalsContact NE2-O 3.15Å
642	D	92.1	Very high	83.7	Confident	0 Å²	0	33.2 Å²	33.2	0%	0	20%	0.202	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-135.3	130.1	175	-66.6	-57.3	0	0	0	110	T502 I503 E593 A640 F644 F652 C653	T502-D642 WeakPolarHBondContact CA-OD1 3.36Å; T502-D642 WeakPolarHBondContact CB-OD1 3.44Å; T502-D642 PolarHBondContact OG1-OD1 3.03Å; I503-D642 HydrophobicContact CB-CB 4.37Å; I503-D642 WeakPolarHBondContact CB-OD2 3.42Å; I503-D642 VanDerWaalsContact CG1-OD2 3.3Å; I503-D642 WeakPolarHBondContact CG1-OD2 3.29Å; I503-D642 PolarHBondContact N-OD1 2.81Å; I503-D642 PolarHBondContact N-OD2 3.09Å; E593-D642 VanDerWaalsContact O-CA 3.32Å; E593-D642 WeakPolarHBondContact O-CA 3.42Å; A640-D642 VanDerWaalsContact C-N 3.32Å; D642-F644 HydrophobicContact CB-CD1 4.23Å; D642-F644 HydrophobicContact CB-CE1 4.31Å; D642-F652 WeakPolarHBondContact O-CA 3.32Å; D642-C653 HydrophobicContact CB-CB 3.95Å; D642-C653 PolarHBondContact O-N 2.74Å
643	V	94.8	Very high	84.1	Confident	5 Å²	5	30.5 Å²	30.5	3%	0.03	19%	0.189	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-130.1	115.4	170.6	-167.4	0	0	0	0	110.4	E593 G594 A595 L596 F606 A640 I650 Y651 F652	E593-V643 PolarHBondContact O-N 3.35Å; G594-V643 WeakPolarHBondContact CA-O 3.23Å; A595-V643 PolarHBondContact N-O 2.73Å; L596-V643 HydrophobicContact CD1-CG1 3.71Å; L596-V643 HydrophobicContact CD2-CG1 4.02Å; L596-V643 HydrophobicContact CG-CG1 3.81Å; F606-V643 HydrophobicContact CB-CB 4.48Å; F606-V643 HydrophobicContact CB-CG2 4.15Å; F606-V643 HydrophobicContact CD1-CG1 4.5Å; F606-V643 HydrophobicContact CD1-CG2 4.27Å; F606-V643 HydrophobicContact CD2-CB 4.07Å; F606-V643 HydrophobicContact CD2-CG1 4.02Å; F606-V643 HydrophobicContact CD2-CG2 4.47Å; F606-V643 HydrophobicContact CE1-CG1 4.45Å; F606-V643 HydrophobicContact CE2-CG1 3.98Å; F606-V643 HydrophobicContact CG-CB 4.15Å; F606-V643 HydrophobicContact CG-CG1 4.3Å; F606-V643 HydrophobicContact CG-CG2 4.04Å; F606-V643 HydrophobicContact CZ-CG1 4.2Å; A640-V643 HydrophobicContact CB-CG2 3.94Å; V643-I650 HydrophobicContact CG1-CG2 4.35Å; V643-Y651 WeakPolarHBondContact CA-O 3.29Å; V643-F652 HydrophobicContact CB-CD1 4.34Å; V643-F652 HydrophobicContact CB-CE1 4.35Å; V643-F652 HydrophobicContact CG1-CD1 3.81Å; V643-F652 HydrophobicContact CG1-CE1 3.52Å; V643-F652 HydrophobicContact CG1-CE2 4.31Å; V643-F652 HydrophobicContact CG1-CG 4.31Å; V643-F652 HydrophobicContact CG1-CZ 3.8Å; V643-F652 HydrophobicContact CG2-CD1 3.59Å; V643-F652 HydrophobicContact CG2-CE1 3.81Å; V643-F652 HydrophobicContact CG2-CG 4.45Å
644	F	93.9	Very high	84.1	Confident	4 Å²	4	34.6 Å²	34.6	2%	0.018	20%	0.204	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-146.4	160	-177.7	61.6	-91.8	0	0	0	112.9	I503 V505 L510 D642 H646 Y651 L677	I503-F644 HydrophobicContact CB-CD1 4.3Å; I503-F644 HydrophobicContact CB-CE1 3.77Å; I503-F644 HydrophobicContact CB-CZ 4.46Å; I503-F644 HydrophobicContact CG2-CD1 4.17Å; I503-F644 HydrophobicContact CG2-CE1 3.47Å; I503-F644 VanDerWaalsContact CG2-CE1 3.47Å; I503-F644 HydrophobicContact CG2-CZ 3.68Å; I503-F644 WeakPolarHBondContact O-CD1 3.09Å; V505-F644 HydrophobicContact CG2-CD2 4Å; L510-F644 HydrophobicContact CD2-CD2 4.07Å; L510-F644 HydrophobicContact CD2-CE2 3.54Å; L510-F644 HydrophobicContact CD2-CZ 3.99Å; D642-F644 HydrophobicContact CB-CD1 4.23Å; D642-F644 HydrophobicContact CB-CE1 4.31Å; F644-H646 HydrophobicContact CD2-CB 4.1Å; F644-H646 HydrophobicContact CE2-CB 4.04Å; F644-Y651 HydrophobicContact CD2-CD2 4.26Å; F644-Y651 HydrophobicContact CD2-CG 4.44Å; F644-Y651 AromaticContact CE2-CD2 3.81Å; F644-Y651 HydrophobicContact CE2-CD2 3.81Å; F644-Y651 AromaticContact CE2-CG 3.73Å; F644-Y651 HydrophobicContact CE2-CG 3.73Å; F644-Y651 AromaticContact CZ-CG 3.99Å; F644-Y651 HydrophobicContact CZ-CG 3.99Å; F644-Y651 PolarHBondContact N-O 3.26Å; F644-Y651 VanDerWaalsContact N-O 3.13Å; F644-Y651 PolarHBondContact O-N 3.49Å; F644-L677 HydrophobicContact CZ-CD1 4.12Å
645	Q	91.3	Very high	84.3	Confident	85 Å²	85	36.9 Å²	36.9	40%	0.397	21%	0.206	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-104.9	125.7	175.4	-166.5	179.9	11.6	0	0	110.8	V505 L596 N649	V505-Q645 WeakPolarHBondContact CG2-O 3.29Å; L596-Q645 HydrophobicContact CD2-CB 4.07Å; Q645-N649 CarbonylContact C-O 3.34Å; Q645-N649 WeakPolarHBondContact CA-O 3.3Å; Q645-N649 WeakPolarHBondContact CG-O 3.22Å
646	H	89.6	Confident	84.8	Confident	18 Å²	18	40.2 Å²	40.2	8%	0.083	20%	0.2	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-137.4	130.7	177.4	-172.8	69.7	0	0	0	111.7	V505 F644 G648 N649 Y651	V505-H646 HydrophobicContact CG2-CB 4.02Å; F644-H646 HydrophobicContact CD2-CB 4.1Å; F644-H646 HydrophobicContact CE2-CB 4.04Å; H646-G648 PolarHBondContact O-N 3.21Å; H646-N649 PolarHBondContact N-O 3.01Å; H646-N649 PolarHBondContact O-N 3.14Å; H646-Y651 HydrophobicContact CB-CD2 4.04Å; H646-Y651 HydrophobicContact CB-CE2 3.76Å; H646-Y651 WeakPolarHBondContact O-CE2 3.43Å
647	K	86.2	Confident	84.9	Confident	124 Å²	124	43 Å²	43	54%	0.539	21%	0.212	S	C	.	.	T	Hydrogen-bonded Turn	trans	49.3	42.6	179.4	-66.1	175.5	177.9	-178.3	0	113.4	S523 N649	S523-K647 VanDerWaalsContact O-CE 3.26Å; S523-K647 WeakPolarHBondContact O-CE 3.22Å; S523-K647 PolarHBondContact O-NZ 2.58Å; S523-K647 VanDerWaalsContact OG-CE 3.31Å; S523-K647 WeakPolarHBondContact OG-CE 3.48Å; K647-N649 PolarHBondContact O-N 3.46Å; K647-N649 PolarHBondContact O-ND2 2.91Å
648	G	86.3	Confident	85.8	Confident	48 Å²	48	42.6 Å²	42.6	50%	0.495	21%	0.209	S	C	.	.	T	Hydrogen-bonded Turn	trans	78.6	-3.3	178	0	0	0	0	0	115.8	H646	H646-G648 PolarHBondContact O-N 3.21Å
649	N	90.9	Very high	86.7	Confident	33 Å²	33	42.8 Å²	42.8	18%	0.176	21%	0.206	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-109.1	152.8	176.5	-58.9	-59.8	0	0	0	111	Q645 H646 K647 Y651 R660 M661	Q645-N649 CarbonylContact C-O 3.34Å; Q645-N649 WeakPolarHBondContact CA-O 3.3Å; Q645-N649 WeakPolarHBondContact CG-O 3.22Å; H646-N649 PolarHBondContact N-O 3.01Å; H646-N649 PolarHBondContact O-N 3.14Å; K647-N649 PolarHBondContact O-N 3.46Å; K647-N649 PolarHBondContact O-ND2 2.91Å; N649-Y651 HydrophobicContact CB-CE2 3.78Å; N649-R660 HydrophobicContact CB-CG 3.63Å; N649-M661 WeakPolarHBondContact CA-O 3.5Å; N649-M661 WeakPolarHBondContact CB-O 3.44Å
650	I	92.8	Very high	87.7	Confident	28 Å²	28	41.3 Å²	41.3	14%	0.144	19%	0.194	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-97.2	136.4	175.9	-56.7	167.7	0	0	0	107.8	L596 F633 V643 F652 R660 M661	L596-I650 HydrophobicContact CD1-CD1 4.22Å; L596-I650 HydrophobicContact CD1-CG1 4.37Å; L596-I650 HydrophobicContact CD1-CG2 3.5Å; L596-I650 VanDerWaalsContact CD1-CG2 3.5Å; L596-I650 HydrophobicContact CD2-CG2 3.92Å; L596-I650 HydrophobicContact CG-CG2 4.37Å; F633-I650 HydrophobicContact CE1-CD1 4.17Å; V643-I650 HydrophobicContact CG1-CG2 4.35Å; I650-F652 HydrophobicContact CB-CE2 4.4Å; I650-F652 HydrophobicContact CG2-CD2 3.97Å; I650-F652 HydrophobicContact CG2-CE2 3.39Å; I650-F652 HydrophobicContact CG2-CZ 4.05Å; I650-R660 CarbonylContact O-C 3.56Å; I650-R660 WeakPolarHBondContact O-CA 3.49Å; I650-M661 HydrophobicContact CB-CB 4.28Å; I650-M661 PolarHBondContact N-O 3.2Å; I650-M661 PolarHBondContact O-N 3.3Å
651	Y	93.3	Very high	87.9	Confident	17 Å²	17	41 Å²	41	7%	0.067	19%	0.192	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-118.8	130.4	179.3	-66.2	-102.9	0	0	0	108.6	V643 F644 H646 N649 Y658 W659 R660 L677	V643-Y651 WeakPolarHBondContact CA-O 3.29Å; F644-Y651 HydrophobicContact CD2-CD2 4.26Å; F644-Y651 HydrophobicContact CD2-CG 4.44Å; F644-Y651 AromaticContact CE2-CD2 3.81Å; F644-Y651 HydrophobicContact CE2-CD2 3.81Å; F644-Y651 AromaticContact CE2-CG 3.73Å; F644-Y651 HydrophobicContact CE2-CG 3.73Å; F644-Y651 AromaticContact CZ-CG 3.99Å; F644-Y651 HydrophobicContact CZ-CG 3.99Å; F644-Y651 PolarHBondContact N-O 3.26Å; F644-Y651 VanDerWaalsContact N-O 3.13Å; F644-Y651 PolarHBondContact O-N 3.49Å; H646-Y651 HydrophobicContact CB-CD2 4.04Å; H646-Y651 HydrophobicContact CB-CE2 3.76Å; H646-Y651 WeakPolarHBondContact O-CE2 3.43Å; N649-Y651 HydrophobicContact CB-CE2 3.78Å; Y651-Y658 AromaticContact CD1-CD2 3.47Å; Y651-Y658 HydrophobicContact CD1-CD2 3.47Å; Y651-Y658 VanDerWaalsContact CD1-CD2 3.47Å; Y651-Y658 AromaticContact CD1-CE2 3.92Å; Y651-Y658 HydrophobicContact CD1-CE2 3.92Å; Y651-Y658 HydrophobicContact CD1-CG 4.12Å; Y651-Y658 AromaticContact CE1-CD2 3.83Å; Y651-Y658 HydrophobicContact CE1-CD2 3.83Å; Y651-Y658 AromaticContact CE1-CE2 3.75Å; Y651-Y658 HydrophobicContact CE1-CE2 3.75Å; Y651-W659 WeakPolarHBondContact CA-O 3.39Å; Y651-R660 HydrophobicContact CD1-CB 4.16Å; Y651-R660 HydrophobicContact CD1-CG 4.31Å; Y651-R660 HydrophobicContact CE1-CB 3.9Å; Y651-R660 HydrophobicContact CE1-CG 3.76Å; Y651-R660 HydrophobicContact CE2-CG 4.23Å; Y651-R660 WeakPolarHBondContact OH-CD 3.31Å; Y651-L677 HydrophobicContact CD1-CD2 4.21Å; Y651-L677 HydrophobicContact CE1-CD2 3.86Å
652	F	91.2	Very high	88.1	Confident	1 Å²	1	41.5 Å²	41.5	0%	0.004	20%	0.196	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-112.9	115.9	169.1	-68.8	-99.7	0	0	0	106.8	F606 T629 F633 V636 P637 A640 D642 V643 I650 Y658 W659	F606-F652 HydrophobicContact CD1-CE1 4.38Å; F606-F652 HydrophobicContact CE1-CE1 4.01Å; F606-F652 HydrophobicContact CE1-CZ 4.3Å; T629-F652 HydrophobicContact CG2-CE1 3.91Å; F633-F652 HydrophobicContact CB-CE2 4.44Å; F633-F652 HydrophobicContact CB-CZ 3.94Å; F633-F652 HydrophobicContact CD1-CE2 4.27Å; F633-F652 AromaticContact CD1-CZ 3.89Å; F633-F652 HydrophobicContact CD1-CZ 3.89Å; F633-F652 HydrophobicContact CD2-CZ 4.34Å; F633-F652 HydrophobicContact CE1-CZ 4.49Å; F633-F652 HydrophobicContact CG-CE2 4.48Å; F633-F652 AromaticContact CG-CZ 3.81Å; F633-F652 HydrophobicContact CG-CZ 3.81Å; V636-F652 HydrophobicContact CB-CB 4.05Å; V636-F652 HydrophobicContact CB-CD1 4.22Å; V636-F652 HydrophobicContact CB-CD2 3.87Å; V636-F652 HydrophobicContact CB-CE2 4.36Å; V636-F652 HydrophobicContact CB-CG 3.79Å; V636-F652 HydrophobicContact CG1-CB 4.46Å; V636-F652 HydrophobicContact CG1-CD2 3.62Å; V636-F652 HydrophobicContact CG1-CE2 4.02Å; V636-F652 HydrophobicContact CG1-CG 4.07Å; V636-F652 HydrophobicContact CG2-CB 4.5Å; V636-F652 HydrophobicContact CG2-CD1 3.74Å; V636-F652 HydrophobicContact CG2-CD2 3.95Å; V636-F652 HydrophobicContact CG2-CE1 3.85Å; V636-F652 HydrophobicContact CG2-CE2 4.03Å; V636-F652 HydrophobicContact CG2-CG 3.8Å; V636-F652 HydrophobicContact CG2-CZ 3.99Å; P637-F652 HydrophobicContact CG-CB 4.36Å; A640-F652 HydrophobicContact CB-CB 3.93Å; A640-F652 HydrophobicContact CB-CD1 3.84Å; A640-F652 HydrophobicContact CB-CG 4.4Å; D642-F652 WeakPolarHBondContact O-CA 3.32Å; V643-F652 HydrophobicContact CB-CD1 4.34Å; V643-F652 HydrophobicContact CB-CE1 4.35Å; V643-F652 HydrophobicContact CG1-CD1 3.81Å; V643-F652 HydrophobicContact CG1-CE1 3.52Å; V643-F652 HydrophobicContact CG1-CE2 4.31Å; V643-F652 HydrophobicContact CG1-CG 4.31Å; V643-F652 HydrophobicContact CG1-CZ 3.8Å; V643-F652 HydrophobicContact CG2-CD1 3.59Å; V643-F652 HydrophobicContact CG2-CE1 3.81Å; V643-F652 HydrophobicContact CG2-CG 4.45Å; I650-F652 HydrophobicContact CB-CE2 4.4Å; I650-F652 HydrophobicContact CG2-CD2 3.97Å; I650-F652 HydrophobicContact CG2-CE2 3.39Å; I650-F652 HydrophobicContact CG2-CZ 4.05Å; F652-Y658 CarbonylContact O-C 3.58Å; F652-Y658 VanDerWaalsContact O-CA 3.28Å; F652-Y658 WeakPolarHBondContact O-CA 3.27Å; F652-W659 HydrophobicContact CB-CB 4.46Å; F652-W659 PolarHBondContact N-O 3.18Å; F652-W659 PolarHBondContact O-N 2.8Å
653	C	87.4	Confident	87.5	Confident	0 Å²	0	46.7 Å²	46.7	0%	0	23%	0.232	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-102	138.5	178.2	-50.3	0	0	0	0	110.5	A640 H641 D642 F657 V673	A640-C653 CarbonylContact C-O 3.51Å; A640-C653 VanDerWaalsContact CA-O 3.23Å; A640-C653 WeakPolarHBondContact CA-O 3.32Å; H641-C653 PolarHBondContact N-O 3.44Å; D642-C653 HydrophobicContact CB-CB 3.95Å; D642-C653 PolarHBondContact O-N 2.74Å; C653-F657 WeakPolarHBondContact CA-O 3.42Å; C653-V673 HydrophobicContact CB-CG2 4.37Å
654	R	82.6	Confident	86.7	Confident	88 Å²	88	56.2 Å²	56.2	33%	0.332	27%	0.267	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-139	122.6	170.2	-171.4	178	70.2	176.3	5.4	108.4	P637 D639 R656 F657 W659	P637-R654 HydrophobicContact CB-CB 4.26Å; P637-R654 HydrophobicContact CG-CB 4.03Å; D639-R654 VanDerWaalsContact CG-CD 3.48Å; D639-R654 WeakPolarHBondContact OD1-CD 3.27Å; D639-R654 IonicContact OD1-CZ 2.73Å; D639-R654 IonicContact OD1-NE 3.4Å; D639-R654 IonicContact OD1-NH1 3.79Å; D639-R654 PolarHBondContact OD1-NH1 3.28Å; D639-R654 WeakPolarHBondContact OD2-CD 3.49Å; D639-R654 IonicContact OD2-NH1 3Å; R654-R656 PolarHBondContact O-N 2.94Å; R654-F657 PolarHBondContact N-O 2.89Å; R654-F657 PolarHBondContact O-N 2.77Å; R654-W659 HydrophobicContact CB-CZ3 3.9Å
655	D	78.7	Confident	86.1	Confident	89 Å²	89	60.7 Å²	60.7	48%	0.476	28%	0.284	S	S	.	.	T	Hydrogen-bonded Turn	trans	50.4	-115.5	-170.8	-53.5	-45.5	0	0	0	111.8	H641	H641-D655 PolarHBondContact CD2-N 2.87Å; H641-D655 PolarHBondContact NE2-N 2.78Å; H641-D655 PolarHBondContact NE2-O 2.88Å; H641-D655 VanDerWaalsContact NE2-O 3.15Å
656	R	78.7	Confident	85.5	Confident	131 Å²	131	62.2 Å²	62.2	49%	0.494	29%	0.291	S	S	.	.	T	Hydrogen-bonded Turn	trans	-92.8	-2.7	-178.6	64.6	-173.3	68.3	175.8	1.9	114	R654 V673	R654-R656 PolarHBondContact O-N 2.94Å; R656-V673 PolarHBondContact O-N 2.84Å
657	F	80.5	Confident	85.1	Confident	70 Å²	70	63.6 Å²	63.6	31%	0.307	30%	0.301	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-110.5	154.9	-173	-58	-80.8	0	0	0	111.8	C653 R654 W659 G671 Y672	C653-F657 WeakPolarHBondContact CA-O 3.42Å; R654-F657 PolarHBondContact N-O 2.89Å; R654-F657 PolarHBondContact O-N 2.77Å; F657-W659 HydrophobicContact CB-CE3 4.45Å; F657-W659 HydrophobicContact CB-CH2 3.72Å; F657-W659 HydrophobicContact CB-CZ3 3.57Å; F657-W659 HydrophobicContact CG-CH2 4.46Å; F657-G671 CarbonylContact C-O 3.53Å; F657-G671 WeakPolarHBondContact CA-O 3.45Å; F657-Y672 HydrophobicContact CD1-CD1 4.08Å; F657-Y672 AromaticContact CD1-CE1 3.86Å; F657-Y672 HydrophobicContact CD1-CE1 3.86Å; F657-Y672 AromaticContact CE1-CD1 3.94Å; F657-Y672 HydrophobicContact CE1-CD1 3.94Å; F657-Y672 AromaticContact CE1-CE1 3.25Å; F657-Y672 HydrophobicContact CE1-CE1 3.25Å; F657-Y672 HydrophobicContact CE1-CE2 4.33Å; F657-Y672 AromaticContact CE1-CZ 3.49Å; F657-Y672 VanDerWaalsContact CE1-CZ 3.49Å; F657-Y672 AromaticContact CZ-CE1 3.87Å; F657-Y672 HydrophobicContact CZ-CE1 3.87Å
658	Y	86.8	Confident	85	Confident	3 Å²	3	61.2 Å²	61.2	1%	0.012	29%	0.294	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-131.1	149.6	167.2	74.3	-88.8	0	0	0	111.5	Y651 F652 R660 R669 V670 G671 V673 D676 L677	Y651-Y658 AromaticContact CD1-CD2 3.47Å; Y651-Y658 HydrophobicContact CD1-CD2 3.47Å; Y651-Y658 VanDerWaalsContact CD1-CD2 3.47Å; Y651-Y658 AromaticContact CD1-CE2 3.92Å; Y651-Y658 HydrophobicContact CD1-CE2 3.92Å; Y651-Y658 HydrophobicContact CD1-CG 4.12Å; Y651-Y658 AromaticContact CE1-CD2 3.83Å; Y651-Y658 HydrophobicContact CE1-CD2 3.83Å; Y651-Y658 AromaticContact CE1-CE2 3.75Å; Y651-Y658 HydrophobicContact CE1-CE2 3.75Å; F652-Y658 CarbonylContact O-C 3.58Å; F652-Y658 VanDerWaalsContact O-CA 3.28Å; F652-Y658 WeakPolarHBondContact O-CA 3.27Å; Y658-R660 HydrophobicContact CD2-CB 4.05Å; Y658-R660 HydrophobicContact CE2-CB 3.8Å; Y658-R669 PolarHBondContact OH-NE 3.47Å; Y658-V670 VanDerWaalsContact O-CA 3.32Å; Y658-V670 WeakPolarHBondContact O-CA 3.27Å; Y658-G671 VanDerWaalsContact CD1-C 3.45Å; Y658-G671 WeakPolarHBondContact CD1-O 3.37Å; Y658-G671 VanDerWaalsContact CE1-CA 3.42Å; Y658-G671 PolarHBondContact N-O 3.35Å; Y658-G671 PolarHBondContact O-N 3.14Å; Y658-V673 HydrophobicContact CD1-CG2 4.45Å; Y658-D676 HydrophobicContact CE1-CB 3.57Å; Y658-D676 WeakPolarHBondContact OH-CB 3.35Å; Y658-D676 PolarHBondContact OH-OD2 2.89Å; Y658-L677 HydrophobicContact CD1-CD1 4.04Å; Y658-L677 HydrophobicContact CD1-CG 4.11Å; Y658-L677 HydrophobicContact CE1-CD2 4.45Å; Y658-L677 HydrophobicContact CE1-CG 4.19Å; Y658-L677 HydrophobicContact CG-CD1 4.24Å
659	W	88.9	Confident	84.7	Confident	44 Å²	44	64 Å²	64	17%	0.167	29%	0.289	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-109.6	116.1	169.5	-70.7	-112.8	0	0	0	107.6	V636 P637 Y651 F652 R654 F657 V667 V670	V636-W659 HydrophobicContact CB-CB 4.39Å; V636-W659 HydrophobicContact CG1-CB 4.08Å; P637-W659 VanDerWaalsContact CD-CD2 3.47Å; P637-W659 HydrophobicContact CG-CD2 4.05Å; P637-W659 HydrophobicContact CG-CE3 3.63Å; P637-W659 HydrophobicContact CG-CH2 4.48Å; P637-W659 HydrophobicContact CG-CZ3 3.89Å; Y651-W659 WeakPolarHBondContact CA-O 3.39Å; F652-W659 HydrophobicContact CB-CB 4.46Å; F652-W659 PolarHBondContact N-O 3.18Å; F652-W659 PolarHBondContact O-N 2.8Å; R654-W659 HydrophobicContact CB-CZ3 3.9Å; F657-W659 HydrophobicContact CB-CE3 4.45Å; F657-W659 HydrophobicContact CB-CH2 3.72Å; F657-W659 HydrophobicContact CB-CZ3 3.57Å; F657-W659 HydrophobicContact CG-CH2 4.46Å; W659-V667 HydrophobicContact CB-CG1 4.31Å; W659-V670 HydrophobicContact CD2-CG1 4.36Å; W659-V670 HydrophobicContact CG-CG2 4.13Å; W659-V670 HydrophobicContact CZ2-CG1 4.33Å
660	R	89.9	Confident	84.2	Confident	52 Å²	52	66 Å²	66	20%	0.196	30%	0.303	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-94.3	127.5	175.8	-176	-171.8	72.1	177.6	3.2	109.2	N649 I650 Y651 Y658 V667 D668 R669	N649-R660 HydrophobicContact CB-CG 3.63Å; I650-R660 CarbonylContact O-C 3.56Å; I650-R660 WeakPolarHBondContact O-CA 3.49Å; Y651-R660 HydrophobicContact CD1-CB 4.16Å; Y651-R660 HydrophobicContact CD1-CG 4.31Å; Y651-R660 HydrophobicContact CE1-CB 3.9Å; Y651-R660 HydrophobicContact CE1-CG 3.76Å; Y651-R660 HydrophobicContact CE2-CG 4.23Å; Y651-R660 WeakPolarHBondContact OH-CD 3.31Å; Y658-R660 HydrophobicContact CD2-CB 4.05Å; Y658-R660 HydrophobicContact CE2-CB 3.8Å; R660-V667 WeakPolarHBondContact O-CA 3.49Å; R660-D668 IonicContact CZ-OD1 3.87Å; R660-D668 VanDerWaalsContact CZ-OD1 3.29Å; R660-D668 IonicContact CZ-OD2 3.41Å; R660-D668 IonicContact NE-OD1 3.2Å; R660-D668 PolarHBondContact NE-OD1 3.39Å; R660-D668 IonicContact NE-OD2 2.68Å; R660-D668 IonicContact NH2-OD1 3.48Å; R660-D668 PolarHBondContact NH2-OD1 3.01Å; R660-D668 IonicContact NH2-OD2 3.3Å; R660-D668 PolarHBondContact NH2-OD2 3.5Å; R660-D668 PolarHBondContact O-N 3.41Å; R660-D668 VanDerWaalsContact O-OD1 3.08Å; R660-R669 HydrophobicContact CB-CB 4.27Å; R660-R669 PolarHBondContact N-O 3.17Å
661	M	87.4	Confident	83.5	Confident	0 Å²	0	65 Å²	65	0%	0	30%	0.299	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-114	129.9	178.7	-176.6	175.3	-75.5	0	0	109.9	F633 G634 V636 N649 I650 R665 Q666 V667	F633-M661 HydrophobicContact CB-CE 4.17Å; F633-M661 HydrophobicContact CB-SD 4.42Å; F633-M661 HydrophobicContact CD1-SD 3.86Å; G634-M661 WeakPolarHBondContact O-CE 3.39Å; V636-M661 HydrophobicContact CG1-CE 3.43Å; V636-M661 VanDerWaalsContact CG1-CE 3.43Å; N649-M661 WeakPolarHBondContact CA-O 3.5Å; N649-M661 WeakPolarHBondContact CB-O 3.44Å; I650-M661 HydrophobicContact CB-CB 4.28Å; I650-M661 PolarHBondContact N-O 3.2Å; I650-M661 PolarHBondContact O-N 3.3Å; M661-R665 HydrophobicContact CG-CB 4.46Å; M661-R665 VanDerWaalsContact SD-CA 3.55Å; M661-R665 HydrophobicContact SD-CB 3.87Å; M661-R665 HydrophobicContact SD-CG 4.31Å; M661-Q666 WeakPolarHBondContact CA-O 3.21Å; M661-V667 HydrophobicContact CE-CG2 3.79Å
662	N	86.6	Confident	82.8	Confident	32 Å²	32	69.3 Å²	69.3	17%	0.171	32%	0.316	C	S	.	.			trans	-79.9	177.1	179.5	68	28.9	0	0	0	112	R664 R665 Q666	N662-R664 PolarHBondContact O-N 2.98Å; N662-R664 VanDerWaalsContact O-N 3.1Å; N662-R664 WeakPolarHBondContact OD1-CA 3.41Å; N662-R664 WeakPolarHBondContact OD1-CB 3.36Å; N662-R664 PolarHBondContact OD1-N 3.1Å; N662-R665 PolarHBondContact O-N 2.94Å; N662-R665 PolarHBondContact OD1-N 2.75Å; N662-Q666 PolarHBondContact N-O 2.9Å; N662-Q666 PolarHBondContact OD1-N 3.16Å; N662-Q666 VanDerWaalsContact OD1-N 3.17Å; N662-Q666 PolarHBondContact OD1-O 3.31Å
663	S	80.7	Confident	82.5	Confident	109 Å²	109	69.6 Å²	69.6	76%	0.762	32%	0.318	S	S	*	.	T	Hydrogen-bonded Turn	trans	-61.9	-18	180	58	0	0	0	0	114.7	R665	S663-R665 VanDerWaalsContact C-N 3.3Å
664	R	77.9	Confident	82.2	Confident	204 Å²	204	72.8 Å²	72.8	77%	0.77	33%	0.332	S	S	*	.	T	Hydrogen-bonded Turn	trans	-89.4	8.4	174.3	-59.6	-177.2	-178.1	179.2	0.3	113.1	N662 Q666	N662-R664 PolarHBondContact O-N 2.98Å; N662-R664 VanDerWaalsContact O-N 3.1Å; N662-R664 WeakPolarHBondContact OD1-CA 3.41Å; N662-R664 WeakPolarHBondContact OD1-CB 3.36Å; N662-R664 PolarHBondContact OD1-N 3.1Å; R664-Q666 VanDerWaalsContact C-N 3.26Å; R664-Q666 PolarHBondContact O-N 3.11Å
665	R	80.3	Confident	82.2	Confident	98 Å²	98	72.4 Å²	72.4	37%	0.37	33%	0.331	S	S	.	.	S	Bend	trans	60.2	31.8	-177	-58.8	-176.1	-179.4	177.3	-4.1	114.4	I632 M661 N662 S663	I632-R665 VanDerWaalsContact CG2-NH1 3.27Å; M661-R665 HydrophobicContact CG-CB 4.46Å; M661-R665 VanDerWaalsContact SD-CA 3.55Å; M661-R665 HydrophobicContact SD-CB 3.87Å; M661-R665 HydrophobicContact SD-CG 4.31Å; N662-R665 PolarHBondContact O-N 2.94Å; N662-R665 PolarHBondContact OD1-N 2.75Å; S663-R665 VanDerWaalsContact C-N 3.3Å
666	Q	78.3	Confident	82.3	Confident	117 Å²	117	69.9 Å²	69.9	55%	0.547	32%	0.318	S	S	.	.			trans	-105.4	132.8	172.2	-66.4	175.6	-35.4	0	0	108.9	M661 N662 R664 D668	M661-Q666 WeakPolarHBondContact CA-O 3.21Å; N662-Q666 PolarHBondContact N-O 2.9Å; N662-Q666 PolarHBondContact OD1-N 3.16Å; N662-Q666 VanDerWaalsContact OD1-N 3.17Å; N662-Q666 PolarHBondContact OD1-O 3.31Å; R664-Q666 VanDerWaalsContact C-N 3.26Å; R664-Q666 PolarHBondContact O-N 3.11Å; Q666-D668 PolarHBondContact O-N 3.44Å
667	V	81.4	Confident	82.7	Confident	47 Å²	47	64.2 Å²	64.2	29%	0.285	30%	0.297	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-68.5	113.8	169.5	179	0	0	0	0	107.9	G635 V636 W659 R660 M661 V670	G635-V667 WeakPolarHBondContact O-CG2 3.43Å; V636-V667 HydrophobicContact CG1-CG2 3.49Å; V636-V667 VanDerWaalsContact CG1-CG2 3.49Å; W659-V667 HydrophobicContact CB-CG1 4.31Å; R660-V667 WeakPolarHBondContact O-CA 3.49Å; M661-V667 HydrophobicContact CE-CG2 3.79Å; V667-V670 HydrophobicContact CG1-CG2 4.23Å
668	D	83.8	Confident	83	Confident	74 Å²	74	60.9 Å²	60.9	40%	0.396	28%	0.282	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-110.2	-8.9	-175.7	74.9	-17.5	0	0	0	112.4	R660 Q666	R660-D668 IonicContact CZ-OD1 3.87Å; R660-D668 VanDerWaalsContact CZ-OD1 3.29Å; R660-D668 IonicContact CZ-OD2 3.41Å; R660-D668 IonicContact NE-OD1 3.2Å; R660-D668 PolarHBondContact NE-OD1 3.39Å; R660-D668 IonicContact NE-OD2 2.68Å; R660-D668 IonicContact NH2-OD1 3.48Å; R660-D668 PolarHBondContact NH2-OD1 3.01Å; R660-D668 IonicContact NH2-OD2 3.3Å; R660-D668 PolarHBondContact NH2-OD2 3.5Å; R660-D668 PolarHBondContact O-N 3.41Å; R660-D668 VanDerWaalsContact O-OD1 3.08Å; Q666-D668 PolarHBondContact O-N 3.44Å
669	R	81.2	Confident	82.8	Confident	106 Å²	106	67.8 Å²	67.8	40%	0.4	31%	0.312	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-157.5	138	175.7	-174.8	169.6	179.5	-172.6	-3.8	111.6	Y658 R660 D676	Y658-R669 PolarHBondContact OH-NE 3.47Å; R660-R669 HydrophobicContact CB-CB 4.27Å; R660-R669 PolarHBondContact N-O 3.17Å; R669-D676 IonicContact CZ-OD1 2.73Å; R669-D676 IonicContact NH2-OD1 3.52Å; R669-D676 PolarHBondContact NH2-OD1 2.89Å; R669-D676 IonicContact NH2-OD2 3.29Å; R669-D676 PolarHBondContact NH2-OD2 2.98Å
670	V	79.9	Confident	82.5	Confident	77 Å²	77	66.2 Å²	66.2	47%	0.467	31%	0.308	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-112.8	136.2	162.7	-175.8	0	0	0	0	107.2	Y658 W659 V667	Y658-V670 VanDerWaalsContact O-CA 3.32Å; Y658-V670 WeakPolarHBondContact O-CA 3.27Å; W659-V670 HydrophobicContact CD2-CG1 4.36Å; W659-V670 HydrophobicContact CG-CG2 4.13Å; W659-V670 HydrophobicContact CZ2-CG1 4.33Å; V667-V670 HydrophobicContact CG1-CG2 4.23Å
671	G	78.3	Confident	81.8	Confident	6 Å²	6	69 Å²	69	6%	0.062	33%	0.333	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-154.4	-174.1	-176.1	0	0	0	0	0	113.1	F657 Y658 D676	F657-G671 CarbonylContact C-O 3.53Å; F657-G671 WeakPolarHBondContact CA-O 3.45Å; Y658-G671 VanDerWaalsContact CD1-C 3.45Å; Y658-G671 WeakPolarHBondContact CD1-O 3.37Å; Y658-G671 VanDerWaalsContact CE1-CA 3.42Å; Y658-G671 PolarHBondContact N-O 3.35Å; Y658-G671 PolarHBondContact O-N 3.14Å; G671-D676 WeakPolarHBondContact CA-OD2 3.47Å
672	Y	77.8	Confident	80.4	Confident	108 Å²	108	72.1 Å²	72.1	42%	0.424	35%	0.35	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-103.7	129.6	-178.4	-73.2	-87.3	0	0	0	110.8	F657 K674 Y675 D676	F657-Y672 HydrophobicContact CD1-CD1 4.08Å; F657-Y672 AromaticContact CD1-CE1 3.86Å; F657-Y672 HydrophobicContact CD1-CE1 3.86Å; F657-Y672 AromaticContact CE1-CD1 3.94Å; F657-Y672 HydrophobicContact CE1-CD1 3.94Å; F657-Y672 AromaticContact CE1-CE1 3.25Å; F657-Y672 HydrophobicContact CE1-CE1 3.25Å; F657-Y672 HydrophobicContact CE1-CE2 4.33Å; F657-Y672 AromaticContact CE1-CZ 3.49Å; F657-Y672 VanDerWaalsContact CE1-CZ 3.49Å; F657-Y672 AromaticContact CZ-CE1 3.87Å; F657-Y672 HydrophobicContact CZ-CE1 3.87Å; Y672-K674 VanDerWaalsContact C-N 3.28Å; Y672-K674 PolarHBondContact O-N 3.33Å; Y672-Y675 HydrophobicContact CD2-CD2 4.21Å; Y672-Y675 AromaticContact CG-CD2 3.87Å; Y672-Y675 HydrophobicContact CG-CD2 3.87Å; Y672-Y675 HydrophobicContact CG-CE2 4.32Å; Y672-Y675 PolarHBondContact O-N 3.4Å; Y672-D676 PolarHBondContact N-OD2 2.77Å; Y672-D676 VanDerWaalsContact O-CB 3.31Å; Y672-D676 WeakPolarHBondContact O-CB 3.32Å; Y672-D676 PolarHBondContact O-N 3.31Å
673	V	85.5	Confident	78.7	Confident	7 Å²	7	75.1 Å²	75.1	4%	0.042	38%	0.378	C	S	.	.	I	π-helix	trans	-55.1	-46.9	177.7	173.3	0	0	0	0	110.6	F500 I503 F512 C653 R656 Y658 Y675 L677 L678	F500-V673 HydrophobicContact CD2-CG1 4.48Å; I503-V673 HydrophobicContact CD1-CG1 3.5Å; I503-V673 HydrophobicContact CD1-CG2 4.39Å; F512-V673 HydrophobicContact CE1-CG1 3.78Å; C653-V673 HydrophobicContact CB-CG2 4.37Å; R656-V673 PolarHBondContact O-N 2.84Å; Y658-V673 HydrophobicContact CD1-CG2 4.45Å; V673-Y675 PolarHBondContact O-N 2.8Å; V673-L677 HydrophobicContact CG1-CD1 4.39Å; V673-L677 HydrophobicContact CG2-CD1 4.34Å; V673-L677 WeakPolarHBondContact O-CA 3.37Å; V673-L677 VanDerWaalsContact O-CB 3.31Å; V673-L677 WeakPolarHBondContact O-CB 3.43Å; V673-L677 PolarHBondContact O-N 2.83Å; V673-L677 VanDerWaalsContact O-N 3.07Å; V673-L678 PolarHBondContact O-N 2.75Å
674	K	82.1	Confident	77.1	Confident	67 Å²	67	74 Å²	74	29%	0.291	37%	0.371	S	S	.	.	I	π-helix	trans	-61.9	-44.8	-177.5	178.6	177.4	162.7	176.9	0	114	C495 Y672 L678 K679 C680	C495-K674 VanDerWaalsContact O-CD 3.31Å; C495-K674 WeakPolarHBondContact O-CD 3.43Å; C495-K674 WeakPolarHBondContact O-CE 3.36Å; C495-K674 PolarHBondContact O-NZ 2.71Å; Y672-K674 VanDerWaalsContact C-N 3.28Å; Y672-K674 PolarHBondContact O-N 3.33Å; K674-L678 CarbonylContact O-C 3.26Å; K674-L678 WeakPolarHBondContact O-CB 3.43Å; K674-K679 PolarHBondContact O-N 2.93Å; K674-C680 HydrophobicContact CD-CB 4.43Å; K674-C680 HydrophobicContact CG-CB 3.68Å; K674-C680 WeakPolarHBondContact O-CB 3.23Å; K674-C680 PolarHBondContact O-N 2.88Å
675	Y	81.1	Confident	75.4	Confident	80 Å²	80	74.1 Å²	74.1	31%	0.314	37%	0.371	S	S	.	.	I	π-helix	trans	-88.2	-43.2	-173.9	-57	-58.5	0	0	0	111.8	Y672 V673 K679 C680	Y672-Y675 HydrophobicContact CD2-CD2 4.21Å; Y672-Y675 AromaticContact CG-CD2 3.87Å; Y672-Y675 HydrophobicContact CG-CD2 3.87Å; Y672-Y675 HydrophobicContact CG-CE2 4.32Å; Y672-Y675 PolarHBondContact O-N 3.4Å; V673-Y675 PolarHBondContact O-N 2.8Å; Y675-K679 WeakPolarHBondContact O-CA 3.39Å; Y675-C680 HydrophobicContact CD1-CB 4.41Å
676	D	82.3	Confident	73.4	Confident	36 Å²	36	76.5 Å²	76.5	19%	0.193	39%	0.392	C	S	.	.	I	π-helix	trans	-87.7	-37.9	-171.6	-65.1	-48.8	0	0	0	112.9	Y658 R669 G671 Y672 K679	Y658-D676 HydrophobicContact CE1-CB 3.57Å; Y658-D676 WeakPolarHBondContact OH-CB 3.35Å; Y658-D676 PolarHBondContact OH-OD2 2.89Å; R669-D676 IonicContact CZ-OD1 2.73Å; R669-D676 IonicContact NH2-OD1 3.52Å; R669-D676 PolarHBondContact NH2-OD1 2.89Å; R669-D676 IonicContact NH2-OD2 3.29Å; R669-D676 PolarHBondContact NH2-OD2 2.98Å; G671-D676 WeakPolarHBondContact CA-OD2 3.47Å; Y672-D676 PolarHBondContact N-OD2 2.77Å; Y672-D676 VanDerWaalsContact O-CB 3.31Å; Y672-D676 WeakPolarHBondContact O-CB 3.32Å; Y672-D676 PolarHBondContact O-N 3.31Å; D676-K679 WeakPolarHBondContact O-CE 3.37Å; D676-K679 PolarHBondContact O-NZ 2.75Å
677	L	87.1	Confident	71.5	Confident	11 Å²	11	78.9 Å²	78.9	6%	0.058	40%	0.402	C	S	.	.	I	π-helix	trans	-96.8	-47.1	-177.3	-52.6	-179.3	0	0	0	111.6	F512 F644 Y651 Y658 V673	F512-L677 HydrophobicContact CE1-CB 4.36Å; F512-L677 HydrophobicContact CZ-CB 3.81Å; F644-L677 HydrophobicContact CZ-CD1 4.12Å; Y651-L677 HydrophobicContact CD1-CD2 4.21Å; Y651-L677 HydrophobicContact CE1-CD2 3.86Å; Y658-L677 HydrophobicContact CD1-CD1 4.04Å; Y658-L677 HydrophobicContact CD1-CG 4.11Å; Y658-L677 HydrophobicContact CE1-CD2 4.45Å; Y658-L677 HydrophobicContact CE1-CG 4.19Å; Y658-L677 HydrophobicContact CG-CD1 4.24Å; V673-L677 HydrophobicContact CG1-CD1 4.39Å; V673-L677 HydrophobicContact CG2-CD1 4.34Å; V673-L677 WeakPolarHBondContact O-CA 3.37Å; V673-L677 VanDerWaalsContact O-CB 3.31Å; V673-L677 WeakPolarHBondContact O-CB 3.43Å; V673-L677 PolarHBondContact O-N 2.83Å; V673-L677 VanDerWaalsContact O-N 3.07Å
678	L	85.4	Confident	69.2	Low	1 Å²	1	91 Å²	91	1%	0.005	45%	0.445	C	S	.	.	S	Bend	trans	-85.3	-12.3	-178.1	-168.2	68.7	0	0	0	113.9	P494 F500 F512 V521 R529 V673 K674 C680	P494-L678 HydrophobicContact CB-CD2 4.02Å; P494-L678 HydrophobicContact CG-CD2 4.45Å; P494-L678 VanDerWaalsContact O-CD2 3.3Å; P494-L678 WeakPolarHBondContact O-CD2 3.45Å; F500-L678 HydrophobicContact CE2-CD2 4.18Å; F500-L678 HydrophobicContact CZ-CD2 3.78Å; F512-L678 HydrophobicContact CD1-CD1 4.17Å; F512-L678 HydrophobicContact CD2-CD1 3.8Å; F512-L678 HydrophobicContact CE1-CB 4.25Å; F512-L678 HydrophobicContact CE1-CD1 4.25Å; F512-L678 HydrophobicContact CE2-CD1 3.9Å; F512-L678 HydrophobicContact CG-CD1 3.95Å; F512-L678 HydrophobicContact CZ-CB 4.15Å; F512-L678 HydrophobicContact CZ-CD1 4.12Å; V521-L678 HydrophobicContact CG2-CD1 4.27Å; R529-L678 HydrophobicContact CG-CD1 4.48Å; V673-L678 PolarHBondContact O-N 2.75Å; K674-L678 CarbonylContact O-C 3.26Å; K674-L678 WeakPolarHBondContact O-CB 3.43Å; L678-C680 PolarHBondContact O-N 2.67Å
679	K	84.1	Confident	68.5	Low	147 Å²	147	91.9 Å²	91.9	64%	0.639	45%	0.448	S	S	*	.			trans	59	40	177	-56.1	-55.2	-169.9	-166.9	0	114.6	K674 Y675 D676	K674-K679 PolarHBondContact O-N 2.93Å; Y675-K679 WeakPolarHBondContact O-CA 3.39Å; D676-K679 WeakPolarHBondContact O-CE 3.37Å; D676-K679 PolarHBondContact O-NZ 2.75Å
680	C	82.1	Confident	67.8	Low	11 Å²	11	91.2 Å²	91.2	7%	0.074	45%	0.45	C	S	.	.			trans	-69.6	147.2	173.6	-70.3	0	0	0	0	112.5	C495 K674 Y675 L678	C495-C680 WeakPolarHBondContact CA-SG 3.25Å; C495-C680 HydrophobicContact CB-CB 3.88Å; C495-C680 WeakPolarHBondContact CB-SG 3.47Å; C495-C680 VanDerWaalsContact SG-CA 3.6Å; C495-C680 WeakPolarHBondContact SG-CB 3.39Å; C495-C680 CovalentContact SG-SG 2.03Å; C495-C680 PolarHBondContact SG-SG 3.17Å; K674-C680 HydrophobicContact CD-CB 4.43Å; K674-C680 HydrophobicContact CG-CB 3.68Å; K674-C680 WeakPolarHBondContact O-CB 3.23Å; K674-C680 PolarHBondContact O-N 2.88Å; Y675-C680 HydrophobicContact CD1-CB 4.41Å; L678-C680 PolarHBondContact O-N 2.67Å
681	P	74.4	Confident	67.1	Low	111 Å²	111	91.9 Å²	91.9	72%	0.721	45%	0.449	S	S	*	.			trans	-61.7	139.1	172.6	-13.1	25.2	0	0	0	110.7	A683	P681-A683 PolarHBondContact O-N 2.61Å
682	D	59	Low	66.5	Low	66 Å²	66	97 Å²	97	35%	0.353	47%	0.472	S	S	.	.			trans	-88	108	179	-157.9	-14.5	0	0	0	109.3	S684 R685	D682-S684 VanDerWaalsContact CG-OG 3.29Å; D682-S684 PolarHBondContact O-N 3.4Å; D682-S684 VanDerWaalsContact O-N 3.15Å; D682-S684 PolarHBondContact OD1-N 3.35Å; D682-S684 PolarHBondContact OD1-OG 2.93Å; D682-R685 PolarHBondContact O-N 3.19Å
683	A	51	Low	65.8	Low	94 Å²	94	96.3 Å²	96.3	78%	0.777	48%	0.475	S	S	*	.	G	3₁₀ helix	trans	-65.9	-13.5	179.7	0	0	0	0	0	112.8	P681	P681-A683 PolarHBondContact O-N 2.61Å
684	S	46.1	Very low	64.5	Low	86 Å²	86	102.3 Å²	102.3	60%	0.601	50%	0.504	S	S	*	.	G	3₁₀ helix	trans	-87.1	-4.7	-176.7	69.7	0	0	0	0	115.1	D682	D682-S684 VanDerWaalsContact CG-OG 3.29Å; D682-S684 PolarHBondContact O-N 3.4Å; D682-S684 VanDerWaalsContact O-N 3.15Å; D682-S684 PolarHBondContact OD1-N 3.35Å; D682-S684 PolarHBondContact OD1-OG 2.93Å
685	R	41.9	Very low	63.2	Low	206 Å²	206	104.8 Å²	104.8	78%	0.777	52%	0.519	S	S	*	.	G	3₁₀ helix	trans	-97.3	1.7	-180	-86.7	-173.6	174.9	-174.2	-1.4	115.8	D682	D682-R685 PolarHBondContact O-N 3.19Å
686	N	39.7	Very low	61.8	Low	149 Å²	149	106.7 Å²	106.7	80%	0.797	54%	0.535	S	S	*	.	S	Bend	trans	-95.8	11.1	175.4	-84.7	-4.3	0	0	0	114.3
687	H	38.4	Very low	60.1	Low	166 Å²	166	112.6 Å²	112.6	77%	0.769	56%	0.563	S	S	*	*			trans	-132.4	75.7	167.3	-80.1	-57.3	0	0	0	109.6
688	Y	32.5	Very low	57.7	Low	303 Å²	303	121.8 Å²	121.8	100%	1.188	61%	0.609	S	S	*	*			trans	-160.3	0	143.5	-91.7	-66	0	0	0	109.7

Retrieved 688 of 688 residues in 1420.4 ms (Link to these results)

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